annotate test-data/faahKO.xset.group.retcor.group.fillPeaks.annotate.rules.variableMetadata.tsv @ 18:cb923396e70f draft

planemo upload commit 459ef7f63e313493aca32441bd821f09e36de48c
author lecorguille
date Thu, 29 Aug 2019 11:38:21 -0400
parents 1c30ff90f3ae
children abf1775ac14d
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1 name namecustom mz mzmin mzmax rt rtmin rtmax npeaks KO WT isotopes adduct pcgroup fold tstat pvalue
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65 M204T4075 M204.3T67.9 204.300003051758 204.300003051758 204.300003051758 67.9190323704023 67.9190323704023 67.9190323704023 1 1 0 3860 Inf -1 0.5
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66 M204T3703 M204.4T61.7 204.400009155273 204.400009155273 204.400009155273 61.7240014555134 61.7240014555134 61.7240014555134 1 0 1 1155 Inf 1 0.5
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67 M204T3597 M204.4T59.9 204.400009155273 204.400009155273 204.400009155273 59.9429220702058 59.9429220702058 59.9429220702058 1 0 1 1442 2.54947426868428 0.565794831692731 0.653524769062731
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73 M205T3917 M205.2T65.3 205.199996948242 205.199996948242 205.199996948242 65.2811664369697 65.2811664369697 65.2811664369697 1 1 0 152 2.83616865401008 -0.636687657728382 0.633502586129698
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76 M206T4080 M205.7T68 205.699996948242 205.699996948242 205.699996948242 67.99838347515 67.99838347515 67.99838347515 1 0 1 5738 1.37841110501869 0.222209994168581 0.846514988262997
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80 M206T4105 M205.9T68.4 205.900009155273 205.900009155273 205.900009155273 68.4126241167387 68.4126241167387 68.4126241167387 1 1 0 192 2.49130786297468 -2.15303537128598 0.167244437136309
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81 M206T3192 M205.9T53.2 205.900009155273 205.900009155273 205.900009155273 53.2001652157757 53.2001652157757 53.2001652157757 1 1 0 30 26.7932681792303 -1.3106329182731 0.414093131620397
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96 M206T3774 M206.3T62.9 206.300003051758 206.300003051758 206.300003051758 62.8948409453194 62.8948409453194 62.8948409453194 1 0 1 942 31.9832581551359 0.968260479065176 0.510013457843619
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99 M207T2861 M206.9T47.7 206.900009155273 206.900009155273 206.900009155273 47.6858524211873 47.6858524211873 47.6858524211873 1 1 0 3639 5.59870251911395 -0.808590406738123 0.560459962738446
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101 M207T3134 M206.9T52.2 206.900009155273 206.900009155273 206.900009155273 52.2278045914356 52.2278045914356 52.2278045914356 1 1 0 4988 2.07137593886268 -0.4657892867851 0.701984860781932
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104 M207T4097 M207.2T68.3 207.199996948242 207.199996948242 207.199996948242 68.2872973934685 68.2872973934685 68.2872973934685 1 0 1 5088 Inf 2.36843767089918 0.254337862183684
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126 M209T3067 M208.9T51.1 208.900009155273 208.900009155273 208.900009155273 51.1129822713051 51.1129822713051 51.1129822713051 1 1 0 2416 13.4071797412706 -2.93147654994494 0.187622527029635
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127 M209T3867 M208.9T64.4 208.900009155273 208.900009155273 208.900009155273 64.4483155999427 64.4483155999427 64.4483155999427 1 1 0 1345 2.30808056923197 -0.520028901177921 0.674874335777965
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128 M209T3636 M208.9T60.6 208.900009155273 208.900009155273 208.900009155273 60.5959660942512 60.5959660942512 60.5959660942512 1 1 0 2848 Inf -1 0.5
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129 M209T4093 M209T68.2 209 209 209 68.213080327942 68.213080327942 68.213080327942 1 0 1 4964 2.19454753873528 0.543746034951699 0.682635790235918
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130 M209T4128 M209.1T68.8 209.100006103516 209.100006103516 209.100006103516 68.8074238019644 68.8074238019644 68.8074238019644 1 1 0 1468 2.36315669480819 -0.770403166633395 0.530554262130373
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131 M209T3892 M209.2T64.9 209.199996948242 209.199996948242 209.199996948242 64.8660337506906 64.8660337506906 64.8660337506906 1 1 0 4912 1.79580038665407 0.413286087274613 0.737486629636048
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132 M209T3452 M209.2T57.5 209.199996948242 209.199996948242 209.199996948242 57.5395718215567 57.5395718215567 57.5395718215567 1 1 0 3333 Inf -1 0.5
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133 M209T2930 M209.2T48.8 209.199996948242 209.199996948242 209.199996948242 48.8260290949762 48.8260290949762 48.8260290949762 1 0 1 3621 Inf 1 0.5
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134 M209T3613 M209.2T60.2 209.199996948242 209.199996948242 209.199996948242 60.2162365601659 60.2162365601659 60.2162365601659 1 0 1 2570 1.27195072070144 -0.237414436151434 0.839625399791103
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135 M209T3230 M209.2T53.8 209.199996948242 209.199996948242 209.199996948242 53.8404022205945 53.8404022205945 53.8404022205945 1 1 0 2705 6.63776491498847 -0.839869363797694 0.550286016385851
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136 M209T3142 M209.2T52.4 209.199996948242 209.199996948242 209.199996948242 52.3605456595381 52.3605456595381 52.3605456595381 1 0 1 3111 5.22055078015702 0.794013713475537 0.565295753474047
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137 M209T4089 M209.3T68.2 209.300003051758 209.300003051758 209.300003051758 68.1504222635289 68.1504222635289 68.1504222635289 1 1 0 4965 1.18439549090003 0.139339168932413 0.902174547608055
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138 M209T4116 M209.3T68.6 209.300003051758 209.300003051758 209.300003051758 68.5984869938564 68.5984869938564 68.5984869938564 1 1 0 2281 Inf -1 0.5
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139 M209T4135 M209.3T68.9 209.300003051758 209.300003051758 209.300003051758 68.9178140980764 68.9178140980764 68.9178140980764 1 0 1 3955 Inf 3.57684023169291 0.173552624985963
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140 M210T3920 M209.8T65.3 209.800003051758 209.800003051758 209.800003051758 65.3329894391537 65.3329894391537 65.3329894391537 1 1 0 2971 Inf -1 0.5
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141 M210T3962 M209.8T66 209.800003051758 209.800003051758 209.800003051758 66.0354355762572 66.0354355762572 66.0354355762572 1 1 0 279 Inf -1 0.5
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142 M210T2668 M209.9T44.5 209.900009155273 209.900009155273 209.900009155273 44.4659690298216 44.4659690298216 44.4659690298216 1 0 1 4035 Inf 45.3986325051073 0.0140206170554404
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143 M210T3188 M209.9T53.1 209.900009155273 209.900009155273 209.900009155273 53.1329803707082 53.1329803707082 53.1329803707082 1 1 0 2178 4.84891859541875 -0.879019730960116 0.528897587217195
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144 M210T4020 M209.9T67 209.900009155273 209.900009155273 209.900009155273 67.000147311071 67.000147311071 67.000147311071 1 0 1 5564 11.8388251717649 1.47057401488962 0.373885128435665
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145 M210T4011 M210T66.8 210 210 210 66.8466930069908 66.8466930069908 66.8466930069908 1 1 0 5238 1.26359575602603 0.230858610979677 0.848312496895242
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146 M210T2802 M210.1T46.7 210.100006103516 210.100006103516 210.100006103516 46.7039268768081 46.7039268768081 46.7039268768081 1 1 0 154 1.48348904745793 -0.979216160558339 0.492223704320649
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147 M210T3461 M210.2T57.7 210.199996948242 210.199996948242 210.199996948242 57.6828703029521 57.6828703029521 57.6828703029521 1 0 1 1261 2.3068396293236 0.998025196295167 0.425889967195751
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148 M210T3904 M210.2T65.1 210.199996948242 210.199996948242 210.199996948242 65.0648931546963 65.0648931546963 65.0648931546963 1 0 1 4802 Inf 1 0.5
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149 M210T3021 M210.2T50.3 210.199996948242 210.199996948242 210.199996948242 50.342929430464 50.342929430464 50.342929430464 1 1 0 2134 3.16366087015266 -0.65210898519638 0.616883113245421
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150 M210T3110 M210.2T51.8 210.199996948242 210.199996948242 210.199996948242 51.8351814475023 51.8351814475023 51.8351814475023 1 1 0 5340 1.20668474924028 0.131882285028404 0.907514971853602
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151 M210T3605 M210.2T60.1 210.199996948242 210.199996948242 210.199996948242 60.0913414137119 60.0913414137119 60.0913414137119 1 0 1 1443 Inf 1.4437810430706 0.385638584753359
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152 M210T3310 M210.2T55.2 210.199996948242 210.199996948242 210.199996948242 55.1710807974486 55.1710807974486 55.1710807974486 1 1 0 510 13.7676321515455 -0.924929245826431 0.523518410516951
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153 M210T3530 M210.2T58.8 210.199996948242 210.199996948242 210.199996948242 58.8310613642101 58.8310613642101 58.8310613642101 1 0 1 1937 1.01524528461999 0.0106981872296101 0.99243565258866
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154 M210T2994 M210.2T49.9 210.199996948242 210.199996948242 210.199996948242 49.8984609865866 49.8984609865866 49.8984609865866 1 1 0 1829 Inf -1 0.5
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155 M210T2774 M210.2T46.2 210.199996948242 210.199996948242 210.199996948242 46.2363947323242 46.2363947323242 46.2363947323242 1 1 0 151 Inf -1 0.5
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156 M210T2550 M210.2T42.5 210.199996948242 210.199996948242 210.199996948242 42.4989714460137 42.4989714460137 42.4989714460137 1 1 0 5153 Inf -1 0.5
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157 M210T3946 M210.2T65.8 210.199996948242 210.199996948242 210.199996948242 65.7649570461243 65.7649570461243 65.7649570461243 1 0 1 3724 1.73625484650042 0.487329209535638 0.688184513761249
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158 M210T3294 M210.3T54.9 210.300003051758 210.300003051758 210.300003051758 54.8957572518083 54.8957572518083 54.8957572518083 1 0 1 245 Inf 1 0.5
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159 M210T3331 M210.3T55.5 210.300003051758 210.300003051758 210.300003051758 55.5136455924675 55.5136455924675 55.5136455924675 1 0 1 15 Inf 1 0.5
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160 M211T4078 M210.9T68 210.900009155273 210.900009155273 210.900009155273 67.9721189019136 67.9721189019136 67.9721189019136 1 0 1 3862 1.59907359067714 0.317640611316364 0.785826163177711
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161 M211T3302 M210.9T55 210.900009155273 210.900009155273 210.900009155273 55.039394190052 55.039394190052 55.039394190052 1 1 0 5381 Inf -1 0.5
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162 M211T3388 M210.9T56.5 210.900009155273 210.900009155273 210.900009155273 56.4648195460913 56.4648195460913 56.4648195460913 1 0 1 466 1.35265069394395 0.209641527625232 0.854824645030523
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163 M211T3527 M210.9T58.8 210.900009155273 210.900009155273 210.900009155273 58.7780081104952 58.7780081104952 58.7780081104952 1 1 0 358 8.52594491498483 -0.876701277534553 0.538582577606417
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164 M211T3888 M211T64.8 211 211 211 64.8034310387987 64.8034310387987 64.8034310387987 1 0 1 41 2.75209154253911 0.653155832591966 0.623302869625855
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165 M211T4097 M211.2T68.3 211.199996948242 211.199996948242 211.199996948242 68.2815318044715 68.2815318044715 68.2815318044715 1 1 0 150 20.7301666446639 -1.32663118450054 0.409739670784876
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166 M211T4184 M211.2T69.7 211.199996948242 211.199996948242 211.199996948242 69.7330875131631 69.7330875131631 69.7330875131631 1 0 1 5994 Inf 1 0.5
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167 M211T3523 M211.2T58.7 211.199996948242 211.199996948242 211.199996948242 58.7145324371275 58.7145324371275 58.7145324371275 1 1 0 372 Inf -1 0.5
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168 M211T3416 M211.2T56.9 211.199996948242 211.199996948242 211.199996948242 56.9277498648291 56.9277498648291 56.9277498648291 1 0 1 856 1.51232285378699 0.282576422575553 0.80759235611578
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169 M211T4163 M211.3T69.4 211.300003051758 211.300003051758 211.300003051758 69.3832446405307 69.3832446405307 69.3832446405307 1 1 0 270 6.55359362387713 -0.837715761610442 0.550978648546772
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170 M212T4230 M211.6T70.5 211.600006103516 211.600006103516 211.600006103516 70.5034400264927 70.5034400264927 70.5034400264927 1 1 0 5417 Inf -1 0.5
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171 M212T4086 M211.7T68.1 211.699996948242 211.699996948242 211.699996948242 68.1034416077553 68.1034416077553 68.1034416077553 1 0 1 4966 Inf 1 0.5
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172 M212T3692 M211.9T61.5 211.900009155273 211.900009155273 211.900009155273 61.5362378506696 61.4531553385096 61.6193203628295 2 0 2 569 3.56533959262889 1.32243085501813 0.340566996102016
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173 M212T3320 M211.9T55.3 211.900009155273 211.900009155273 211.900009155273 55.3334338236129 55.3334338236129 55.3334338236129 1 0 1 1136 2.93240708107831 1.44052733082331 0.287851111931647
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174 M212T3457 M211.9T57.6 211.900009155273 211.900009155273 211.900009155273 57.6192757969965 57.6192757969965 57.6192757969965 1 1 0 1262 Inf -1 0.5
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175 M212T4078 M211.9T68 211.900009155273 211.900009155273 211.900009155273 67.9713176910834 67.9713176910834 67.9713176910834 1 1 0 3852 2.53101047812378 -1.48985949620403 0.316430824883036
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176 M212T3910 M211.9T65.2 211.900009155273 211.900009155273 211.900009155273 65.1694320732506 65.1694320732506 65.1694320732506 1 0 1 4803 35.9661557617561 1.05361588499138 0.48313208329078
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177 M212T3383 M211.9T56.4 211.900009155273 211.900009155273 211.900009155273 56.3884600288996 56.3884600288996 56.3884600288996 1 1 0 [M-H-NCO]- 254.907 25 Inf -1 0.5
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178 M212T4128 M212.1T68.8 212.100006103516 212.100006103516 212.100006103516 68.8074238019644 68.8074238019644 68.8074238019644 1 1 0 1469 1.93993544832405 -1.04552335162305 0.429567937415853
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179 M212T3272 M212.2T54.5 212.199996948242 212.199996948242 212.199996948242 54.5309742733905 54.5309742733905 54.5309742733905 1 0 1 5008 2.07701404690197 0.467208902424568 0.701250141408253
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183 M212T3970 M212.3T66.2 212.300003051758 212.300003051758 212.300003051758 66.1592124199295 66.1592124199295 66.1592124199295 1 0 1 1997 5.38720892087903 0.800697295384126 0.563070283725877
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184 M212T3804 M212.4T63.4 212.400009155273 212.400009155273 212.400009155273 63.3985465766747 63.3985465766747 63.3985465766747 1 0 1 2831 Inf 1 0.5
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185 M213T3904_1 M212.8T65.1_1 212.800003051758 212.800003051758 212.800003051758 65.0737610452387 65.0737610452387 65.0737610452387 1 1 0 4788 Inf -1 0.5
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188 M213T3793 M212.8T63.2 212.800003051758 212.800003051758 212.800003051758 63.222173286033 63.222173286033 63.222173286033 1 1 0 180 Inf -1 0.5
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189 M213T3847 M212.8T64.1 212.800003051758 212.800003051758 212.800003051758 64.1128527458309 64.1128527458309 64.1128527458309 1 1 0 1346 Inf -1 0.5
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190 M213T2688 M212.9T44.8 212.900009155273 212.900009155273 212.900009155273 44.8054099315593 44.8054099315593 44.8054099315593 1 1 0 635 Inf -1 0.5
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191 M213T3487 M212.9T58.1 212.900009155273 212.900009155273 212.900009155273 58.1215299649984 58.1215299649984 58.1215299649984 1 1 0 1772 Inf -1 0.5
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192 M213T4135 M212.9T68.9 212.900009155273 212.900009155273 212.900009155273 68.9109701073071 68.9109701073071 68.9109701073071 1 0 1 3953 1.03900607893358 0.031015476277402 0.978400698190625
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193 M213T3904_2 M213T65.1_2 213 213 213 65.0604157244199 65.0604157244199 65.0604157244199 1 1 0 4804 2.22982535057412 0.898369982214248 0.464165630574311
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194 M213T2866 M213.2T47.8 213.199996948242 213.199996948242 213.199996948242 47.7639532942553 47.7639532942553 47.7639532942553 1 1 0 3640 Inf -1 0.5
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195 M213T3283 M213.2T54.7 213.199996948242 213.199996948242 213.199996948242 54.7226026997807 54.7226026997807 54.7226026997807 1 1 0 1231 1.69762292932369 -0.409719093206927 0.751811556522411
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196 M213T3836 M213.2T63.9 213.199996948242 213.199996948242 213.199996948242 63.938392987768 63.938392987768 63.938392987768 1 0 1 3347 11.4371773486265 1.05155742873462 0.481215927764638
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197 M213T3154 M213.2T52.6 213.199996948242 213.199996948242 213.199996948242 52.5726179377313 52.5726179377313 52.5726179377313 1 0 1 5901 1.27477231400085 0.169591718156053 0.881711132193815
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198 M213T3753 M213.3T62.6 213.300003051758 213.300003051758 213.300003051758 62.5535284842697 62.5535284842697 62.5535284842697 1 0 1 1038 4.64961868420738 0.767381338264086 0.574314312621313
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199 M213T3970 M213.3T66.2 213.300003051758 213.300003051758 213.300003051758 66.1663018543245 66.1663018543245 66.1663018543245 1 1 0 1998 Inf -1 0.5
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200 M213T4020 M213.3T67 213.300003051758 213.300003051758 213.300003051758 66.9920211221164 66.9920211221164 66.9920211221164 1 1 0 5567 Inf -1 0.5
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201 M214T3813 M213.9T63.5 213.900009155273 213.900009155273 213.900009155273 63.5434136843954 63.5434136843954 63.5434136843954 1 1 0 2374 1.01385439068046 0.00972890773776343 0.993120934218989
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202 M214T4127 M213.9T68.8 213.900009155273 213.900009155273 213.900009155273 68.7813078538486 68.7813078538486 68.7813078538486 1 1 0 1470 2.12415545900345 -0.822403252874644 0.56051984129944
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203 M214T3146 M213.9T52.4 213.900009155273 213.900009155273 213.900009155273 52.4287045278577 52.4287045278577 52.4287045278577 1 1 0 3030 Inf -1.36706426997353 0.402058500356087
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204 M214T2851 M213.9T47.5 213.900009155273 213.900009155273 213.900009155273 47.5200375820765 47.5200375820765 47.5200375820765 1 1 0 256 Inf -1 0.5
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205 M214T3830 M214T63.8 214 214 214 63.8381409060718 63.8381409060718 63.8381409060718 1 1 0 3348 1.44504713152798 -0.268854374389611 0.817151726327206
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206 M214T4142 M214.2T69 214.199996948242 214.199996948242 214.199996948242 69.0277925139475 68.9636800622515 69.0919049656436 2 1 1 4206 1.52450349248472 -0.287680637358087 0.804383040678244
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207 M214T3673 M214.2T61.2 214.199996948242 214.199996948242 214.199996948242 61.2182231708786 61.2182231708786 61.2182231708786 1 0 1 440 1.57892542627941 0.309758326462147 0.790660831584187
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208 M214T3883 M214.2T64.7 214.199996948242 214.199996948242 214.199996948242 64.7249495620513 64.7249495620513 64.7249495620513 1 0 1 2222 Inf 1.8250489836823 0.319107541543454
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209 M214T3867 M214.2T64.5 214.199996948242 214.199996948242 214.199996948242 64.4542135019796 64.4542135019796 64.4542135019796 1 1 0 1347 1.11013674498302 -0.0934531437672679 0.93548585732689
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210 M214T2996 M214.2T49.9 214.199996948242 214.199996948242 214.199996948242 49.9275793469874 49.9275793469874 49.9275793469874 1 0 1 1830 2.31274546229413 0.520996722099107 0.674408495836985
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211 M214T2631 M214.2T43.9 214.199996948242 214.199996948242 214.199996948242 43.8538063268807 43.8538063268807 43.8538063268807 1 1 0 2636 Inf -1 0.5
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212 M214T3329 M214.3T55.5 214.300003051758 214.300003051758 214.300003051758 55.4865192480513 55.4865192480513 55.4865192480513 1 1 0 1088 1.72611664366542 -0.363993225716512 0.758120360311698
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213 M214T3235 M214.3T53.9 214.300003051758 214.300003051758 214.300003051758 53.9094650121411 53.9094650121411 53.9094650121411 1 1 0 2706 Inf -1 0.5
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214 M214T4075 M214.3T67.9 214.300003051758 214.300003051758 214.300003051758 67.9195894950223 67.9195894950223 67.9195894950223 1 0 1 3863 5.34783702139738 0.799156966834699 0.563581917207964
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215 M214T3875 M214.3T64.6 214.300003051758 214.300003051758 214.300003051758 64.5857633589468 64.5857633589468 64.5857633589468 1 1 0 2729 Inf -2.7322257403454 0.223363614009781
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216 M214T3736 M214.4T62.3 214.400009155273 214.400009155273 214.400009155273 62.2713910572077 62.2713910572077 62.2713910572077 1 0 1 5195 Inf 1 0.5
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217 M214T3851 M214.4T64.2 214.400009155273 214.400009155273 214.400009155273 64.1915299541211 64.1915299541211 64.1915299541211 1 1 0 1348 Inf -1 0.5
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218 M215T4099 M214.7T68.3 214.699996948242 214.699996948242 214.699996948242 68.3110839411979 68.3110839411979 68.3110839411979 1 1 0 5111 Inf -1 0.5
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219 M215T3166 M214.8T52.8 214.800003051758 214.800003051758 214.800003051758 52.7679352198924 52.7679352198924 52.7679352198924 1 1 0 818 Inf -1 0.5
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220 M215T2723 M214.9T45.4 214.900009155273 214.900009155273 214.900009155273 45.3879422491882 45.3879422491882 45.3879422491882 1 1 0 2466 Inf -1 0.5
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221 M215T3793 M214.9T63.2 214.900009155273 214.900009155273 214.900009155273 63.2137342959555 63.2137342959555 63.2137342959555 1 0 1 5516 Inf 6.07221927556945 0.103908698370534
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222 M215T3495 M214.9T58.2 214.900009155273 214.900009155273 214.900009155273 58.2493849420936 58.2493849420936 58.2493849420936 1 0 1 3505 2.7765106826814 0.601981839315156 0.637605273862783
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223 M215T3810 M214.9T63.5 214.900009155273 214.900009155273 214.900009155273 63.4933960796511 63.4933960796511 63.4933960796511 1 0 1 3706 Inf 1 0.5
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224 M215T2805 M214.9T46.8 214.900009155273 214.900009155273 214.900009155273 46.7555364499361 46.7555364499361 46.7555364499361 1 1 0 5177 3.74363471239516 -0.70805419571149 0.59542330125889
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225 M215T3727 M214.9T62.1 214.900009155273 214.900009155273 214.900009155273 62.1152861364611 62.1152861364611 62.1152861364611 1 0 1 3546 1.03732354055638 -0.0259038885485234 0.981689051206996
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226 M215T2683 M214.9T44.7 214.900009155273 214.900009155273 214.900009155273 44.7137721930535 44.7137721930535 44.7137721930535 1 1 0 6 1.40053513604623 -0.232747405688109 0.839599609152379
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227 M215T2608 M214.9T43.5 214.900009155273 214.900009155273 214.900009155273 43.4615778044834 43.4615778044834 43.4615778044834 1 0 1 4003 Inf 1 0.5
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228 M215T3524 M215.2T58.7 215.199996948242 215.199996948242 215.199996948242 58.7411389673312 58.7411389673312 58.7411389673312 1 0 1 360 13.1753411873796 5.50130115534603 0.0583233808981534
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229 M215T3886 M215.2T64.8 215.199996948242 215.199996948242 215.199996948242 64.7619633274511 64.7619633274511 64.7619633274511 1 1 0 2223 4.57053922025763 -0.763154774761667 0.575769348195085
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230 M215T2842 M215.2T47.4 215.199996948242 215.199996948242 215.199996948242 47.3620715453329 47.3620715453329 47.3620715453329 1 1 0 252 2.04530714515466 -0.459136192907245 0.705446128567818
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231 M215T3470 M215.2T57.8 215.199996948242 215.199996948242 215.199996948242 57.8373335226661 57.8373335226661 57.8373335226661 1 0 1 3099 Inf 1 0.5
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232 M215T3026 M215.2T50.4 215.199996948242 215.199996948242 215.199996948242 50.4291689255603 50.4291689255603 50.4291689255603 1 0 1 2135 4.08031529948909 0.733221944253392 0.586280504523115
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233 M215T3856 M215.2T64.3 215.199996948242 215.199996948242 215.199996948242 64.2640666387519 64.2640666387519 64.2640666387519 1 1 0 21 1.94490673280476 -0.586978245852157 0.633180577002883
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234 M215T2781 M215.2T46.3 215.199996948242 215.199996948242 215.199996948242 46.3458777181414 46.3458777181414 46.3458777181414 1 0 1 4272 2.87314292527058 0.61572086613388 0.631775943172112
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235 M215T4000 M215.2T66.7 215.199996948242 215.199996948242 215.199996948242 66.6585457109895 66.6585457109895 66.6585457109895 1 0 1 6149 10.7865082187474 0.903417530331122 0.530216594252742
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236 M215T3000 M215.2T50 215.199996948242 215.199996948242 215.199996948242 50.0068041107523 50.0068041107523 50.0068041107523 1 0 1 [M-H-NaOH]- 256.205 1822 Inf 1 0.5
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237 M215T3562 M215.2T59.4 215.199996948242 215.199996948242 215.199996948242 59.3590719981441 59.3590719981441 59.3590719981441 1 1 0 1634 3.19377575450304 -0.655509928847991 0.615530370083739
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238 M215T4016 M215.3T66.9 215.300003051758 215.300003051758 215.300003051758 66.9251874491246 66.9251874491246 66.9251874491246 1 1 0 5967 2.66048384995808 -0.761603763690879 0.547886248263261
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239 M216T2807 M215.8T46.8 215.800003051758 215.800003051758 215.800003051758 46.7813277287183 46.7813277287183 46.7813277287183 1 1 0 249 Inf -1 0.5
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240 M216T2782 M215.8T46.4 215.800003051758 215.800003051758 215.800003051758 46.3676942436727 46.3676942436727 46.3676942436727 1 0 1 112 3.93680901629293 0.723026028465304 0.589949061911133
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241 M216T4108 M215.9T68.5 215.900009155273 215.900009155273 215.900009155273 68.4711504706088 68.4711504706088 68.4711504706088 1 0 1 [M-H-C2H4O]- 260.929 [M-H-CONH2]- 260.929 43 2.63507054287977 1.44448547407122 0.320402931188568
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242 M216T3889 M216T64.8 216 216 216 64.8187716917835 64.8187716917835 64.8187716917835 1 0 1 2224 5.08527809872598 1.18639667919647 0.421405025631014
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243 M216T3356 M216.1T55.9 216.100006103516 216.100006103516 216.100006103516 55.9370665870977 55.9370665870977 55.9370665870977 1 0 1 714 Inf 1 0.5
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244 M216T3001 M216.2T50 216.199996948242 216.199996948242 216.199996948242 50.0238201513328 49.9539915454543 50.0936487572112 2 0 2 105 Inf 7.49899360289414 0.0843961189251576
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245 M216T2979 M216.2T49.7 216.199996948242 216.199996948242 216.199996948242 49.6534979076347 49.6534979076347 49.6534979076347 1 0 1 5280 Inf 1 0.5
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246 M216T3758 M216.2T62.6 216.199996948242 216.199996948242 216.199996948242 62.6326805698188 62.6326805698188 62.6326805698188 1 0 1 964 Inf 1 0.5
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247 M216T4053 M216.4T67.5 216.400009155273 216.400009155273 216.400009155273 67.5462092090621 67.5462092090621 67.5462092090621 1 1 0 3414 Inf -1 0.5
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249 M217T4147 M217T69.1 217 217 217 69.117751854209 69.117751854209 69.117751854209 1 0 1 189 3.09875597641505 0.644558195701258 0.619909954092196
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250 M217T4342 M217.1T72.4 217.100006103516 217.100006103516 217.100006103516 72.3624624072004 72.3624624072004 72.3624624072004 1 0 1 267 Inf 1 0.5
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251 M217T3345 M217.2T55.7 217.199996948242 217.199996948242 217.199996948242 55.7458895251885 55.7458895251885 55.7458895251885 1 0 1 817 Inf 1 0.5
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252 M217T3998 M217.3T66.6 217.300003051758 217.300003051758 217.300003051758 66.6373581843898 66.6373581843898 66.6373581843898 1 1 0 284 1.7489865517636 -0.371763679075814 0.753601772536571
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253 M217T4059 M217.3T67.7 217.300003051758 217.300003051758 217.300003051758 67.65694615063 67.65694615063 67.65694615063 1 0 1 4688 Inf 1 0.5
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254 M217T3828 M217.3T63.8 217.300003051758 217.300003051758 217.300003051758 63.7938760385256 63.7938760385256 63.7938760385256 1 0 1 33 2.91214919234061 0.621017111325397 0.629559541389673
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255 M217T3941 M217.4T65.7 217.400009155273 217.400009155273 217.400009155273 65.6861042988527 65.6861042988527 65.6861042988527 1 0 1 4133 Inf 1 0.5
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256 M218T3352 M217.8T55.9 217.800003051758 217.800003051758 217.800003051758 55.8735923345796 55.8735923345796 55.8735923345796 1 1 0 707 2.09393983023397 -0.471430152654765 0.699073417890258
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257 M218T3448 M217.8T57.5 217.800003051758 217.800003051758 217.800003051758 57.4690606377124 57.4690606377124 57.4690606377124 1 1 0 2918 8.95753210716835 -0.882877484665596 0.53664159696472
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258 M218T3523 M217.8T58.7 217.800003051758 217.800003051758 217.800003051758 58.7150650367137 58.7150650367137 58.7150650367137 1 0 1 373 Inf 7.93372137469038 0.0798213297600987
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259 M218T3224 M217.8T53.7 217.800003051758 217.800003051758 217.800003051758 53.7305393381874 53.7305393381874 53.7305393381874 1 1 0 4293 Inf -1 0.5
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260 M218T3272 M217.9T54.5 217.900009155273 217.900009155273 217.900009155273 54.5393324865516 54.5393324865516 54.5393324865516 1 0 1 5009 2.08663062234732 0.513029810466468 0.694263883953856
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261 M218T3943 M217.9T65.7 217.900009155273 217.900009155273 217.900009155273 65.7223179087795 65.7223179087795 65.7223179087795 1 1 0 4129 1.82904972497462 -0.397708209124182 0.738787683033831
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262 M218T3200 M217.9T53.3 217.900009155273 217.900009155273 217.900009155273 53.3260819474598 53.3260819474598 53.3260819474598 1 1 0 1743 Inf -6.86945728821756 0.0920275304395011
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263 M218T4056 M218T67.6 218 218 218 67.5988708181846 67.5988708181846 67.5988708181846 1 1 0 3405 1.06755049274451 -0.0637725511421102 0.955126171523244
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264 M218T3966 M218.1T66.1 218.100006103516 218.100006103516 218.100006103516 66.0922343927749 66.0922343927749 66.0922343927749 1 1 0 1999 Inf -6.71522293535044 0.09411088327355
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265 M218T3917 M218.2T65.3 218.199996948242 218.199996948242 218.199996948242 65.2811664369697 65.2811664369697 65.2811664369697 1 1 0 152 Inf -1 0.5
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266 M218T2845 M218.2T47.4 218.199996948242 218.199996948242 218.199996948242 47.4178286246612 47.4178286246612 47.4178286246612 1 0 1 [M-H-HF]- 239.225 181 Inf 1 0.5
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267 M218T3864 M218.2T64.4 218.199996948242 218.199996948242 218.199996948242 64.401627072705 64.401627072705 64.401627072705 1 1 0 1349 Inf -1 0.5
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268 M218T4110 M218.2T68.5 218.199996948242 218.199996948242 218.199996948242 68.4974193491718 68.4974193491718 68.4974193491718 1 0 1 43 2.03750240703443 0.457115343702651 0.706503333292722
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269 M218T3286 M218.2T54.8 218.199996948242 218.199996948242 218.199996948242 54.7710736069409 54.7710736069409 54.7710736069409 1 1 0 3791 1.67306376020514 -0.345313394327807 0.769133147178514
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270 M218T3172 M218.2T52.9 218.199996948242 218.199996948242 218.199996948242 52.8722617831009 52.8722617831009 52.8722617831009 1 1 0 754 Inf -5.13759016251897 0.122383841912309
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271 M218T2579 M218.2T43 218.199996948242 218.199996948242 218.199996948242 42.9801847480001 42.9801847480001 42.9801847480001 1 0 1 4071 Inf 1.53795918367347 0.36702687074406
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272 M218T3795 M218.2T63.2 218.199996948242 218.199996948242 218.199996948242 63.2489155196134 63.2489155196134 63.2489155196134 1 1 0 169 Inf -1.1152105480476 0.465359046650314
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273 M218T3394 M218.2T56.6 218.199996948242 218.199996948242 218.199996948242 56.5682968355886 56.5682968355886 56.5682968355886 1 1 0 467 2.67751447498419 -0.586920936308586 0.64413002021809
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274 M218T2655 M218.2T44.3 218.199996948242 218.199996948242 218.199996948242 44.25239913927 44.25239913927 44.25239913927 1 1 0 5841 1.00072335591757 -0.00070795296719342 0.999542356175557
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275 M218T3478 M218.3T58 218.300003051758 218.300003051758 218.300003051758 57.960487848719 57.960487848719 57.960487848719 1 0 1 1773 Inf 1 0.5
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276 M218T3549 M218.3T59.1 218.300003051758 218.300003051758 218.300003051758 59.1472024168757 59.1472024168757 59.1472024168757 1 1 0 44 8.82609123939386 -0.881062500518385 0.537211479074605
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277 M218T3886 M218.3T64.8 218.300003051758 218.300003051758 218.300003051758 64.7662071008099 64.7662071008099 64.7662071008099 1 0 1 2225 Inf 1.34851327468729 0.406211742812374
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278 M218T3208 M218.3T53.5 218.300003051758 218.300003051758 218.300003051758 53.4725764956138 53.4725764956138 53.4725764956138 1 0 1 4294 Inf 1 0.5
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279 M218T3769 M218.4T62.8 218.400009155273 218.400009155273 218.400009155273 62.8174773684723 62.8174773684723 62.8174773684723 1 0 1 965 Inf 1.65486232560678 0.346041378545391
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280 M219T3639 M218.9T60.6 218.900009155273 218.900009155273 218.900009155273 60.6479941909217 60.6479941909217 60.6479941909217 1 0 1 2849 Inf 1 0.5
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281 M219T2519 M219.1T42 219.100006103516 219.100006103516 219.100006103516 41.9890514146668 41.9890514146668 41.9890514146668 1 0 1 5043 1.29895032613183 0.702571161767695 0.566635251950758
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282 M219T3414 M219.1T56.9 219.100006103516 219.100006103516 219.100006103516 56.8917349501817 56.8917349501817 56.8917349501817 1 0 1 857 Inf 1 0.5
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283 M219T2831 M219.1T47.2 219.100006103516 219.100006103516 219.100006103516 47.1818837364836 47.1818837364836 47.1818837364836 1 0 1 121 1.79554733667549 0.442209541569868 0.707015406700259
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284 M219T3737 M219.2T62.3 219.199996948242 219.199996948242 219.199996948242 62.2839584996304 62.2839584996304 62.2839584996304 1 1 0 155 4.53439864051892 -0.761173022670349 0.576453962070545
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285 M219T3930 M219.2T65.5 219.199996948242 219.199996948242 219.199996948242 65.5021306501436 65.5021306501436 65.5021306501436 1 0 1 2972 1.00390150817694 -0.00371388177994683 0.997554394103834
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286 M220T3937 M219.7T65.6 219.699996948242 219.699996948242 219.699996948242 65.6135942124462 65.6135942124462 65.6135942124462 1 0 1 4134 Inf 1 0.5
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287 M220T4080 M219.8T68 219.800003051758 219.800003051758 219.800003051758 67.9930231487954 67.9930231487954 67.9930231487954 1 1 0 5713 2.89493373871388 -0.618696646944315 0.630528535491975
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288 M220T3359 M219.8T56 219.800003051758 219.800003051758 219.800003051758 55.9814368610224 55.9814368610224 55.9814368610224 1 1 0 715 7.37991746300739 -0.856668247855966 0.544917295516216
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289 M220T3589 M219.9T59.8 219.900009155273 219.900009155273 219.900009155273 59.8099111549971 59.8099111549971 59.8099111549971 1 1 0 28 1.05243017522951 -0.0435293022285134 0.970172013153529
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290 M220T3913 M220T65.2 220 220 220 65.2216948348315 65.2216948348315 65.2216948348315 1 0 1 5135 Inf 1.91111677427569 0.306900058208422
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291 M220T4173 M220T69.5 220 220 220 69.548925578163 69.548925578163 69.548925578163 1 0 1 4376 Inf 1 0.5
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292 M220T3468 M220.2T57.8 220.199996948242 220.199996948242 220.199996948242 57.8075490504419 57.8075490504419 57.8075490504419 1 0 1 3100 Inf 41.1425765885721 0.0154704567550279
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293 M220T3279 M220.2T54.6 220.199996948242 220.199996948242 220.199996948242 54.6431908571071 54.6431908571071 54.6431908571071 1 1 0 1232 Inf -1 0.5
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294 M220T3186 M220.3T53.1 220.300003051758 220.300003051758 220.300003051758 53.1034284198687 53.1034284198687 53.1034284198687 1 0 1 2180 Inf 1 0.5
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295 M220T3992 M220.5T66.5 220.5 220.5 220.5 66.5282370492378 66.5282370492378 66.5282370492378 1 0 1 4483 Inf 1 0.5
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296 M221T4085 M220.7T68.1 220.699996948242 220.699996948242 220.699996948242 68.0838679892212 68.0838679892212 68.0838679892212 1 0 1 5714 Inf 1 0.5
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297 M221T3340 M220.9T55.7 220.900009155273 220.900009155273 220.900009155273 55.6685046526721 55.6685046526721 55.6685046526721 1 0 1 179 1.1310045239999 0.469804982294396 0.703971659368152
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298 M221T3790 M220.9T63.2 220.900009155273 220.900009155273 220.900009155273 63.1609050395012 63.1609050395012 63.1609050395012 1 0 1 4448 5.13486375497253 -1.17602535008198 0.425260058130222
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300 M221T2913 M221.1T48.5 221.100006103516 221.100006103516 221.100006103516 48.5481814919484 48.5481814919484 48.5481814919484 1 1 0 2761 Inf -1 0.5
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301 M221T4048 M221.2T67.5 221.199996948242 221.199996948242 221.199996948242 67.4730606077411 67.4730606077411 67.4730606077411 1 0 1 4103 1.23404499379106 -0.233073653756464 0.853738168786149
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303 M221T3906 M221.4T65.1 221.400009155273 221.400009155273 221.400009155273 65.1078690319994 65.1078690319994 65.1078690319994 1 0 1 4805 Inf 1 0.5
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304 M222T3473 M221.7T57.9 221.699996948242 221.699996948242 221.699996948242 57.884022268109 57.884022268109 57.884022268109 1 0 1 1774 Inf 1 0.5
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305 M222T3610 M221.7T60.2 221.699996948242 221.699996948242 221.699996948242 60.1617279256878 60.1617279256878 60.1617279256878 1 0 1 2571 Inf 1 0.5
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306 M222T3689 M221.8T61.5 221.800003051758 221.800003051758 221.800003051758 61.4855445596624 61.4855445596624 61.4855445596624 1 1 0 575 1.1855723836337 -0.119647402473083 0.915971951640871
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307 M222T3470 M221.8T57.8 221.800003051758 221.800003051758 221.800003051758 57.8314261983103 57.8314261983103 57.8314261983103 1 1 0 3101 1.61789923173362 -0.324868428302507 0.781423597817
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308 M222T2626 M221.8T43.8 221.800003051758 221.800003051758 221.800003051758 43.7740538815564 43.7740538815564 43.7740538815564 1 1 0 2637 Inf -1 0.5
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309 M222T4135 M221.8T68.9 221.800003051758 221.800003051758 221.800003051758 68.9109701073071 68.9109701073071 68.9109701073071 1 0 1 4001 7.57698105616973 0.860558901810583 0.54368178229798
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310 M222T3190 M221.8T53.2 221.800003051758 221.800003051758 221.800003051758 53.1590615169977 53.1590615169977 53.1590615169977 1 1 0 40 15.9916857750354 -0.93563996799795 0.520187026918931
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311 M222T3374 M221.8T56.2 221.800003051758 221.800003051758 221.800003051758 56.2386234488384 56.2386234488384 56.2386234488384 1 1 0 1544 2.94922653823923 -0.625925481961068 0.627520532526279
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312 M222T4031 M221.8T67.2 221.800003051758 221.800003051758 221.800003051758 67.1867913522353 67.1867913522353 67.1867913522353 1 1 0 3750 Inf -1.16406479099943 0.451827935294692
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313 M222T4109 M221.9T68.5 221.900009155273 221.900009155273 221.900009155273 68.4826406537412 68.4678619583106 68.4974193491718 2 1 1 2282 1.24970340705598 -0.33109655548671 0.784754895923754
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314 M222T3695 M221.9T61.6 221.900009155273 221.900009155273 221.900009155273 61.5830738323386 61.5830738323386 61.5830738323386 1 0 1 576 2.37562291428577 2.30079137093873 0.169266348337839
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315 M222T2620 M222.1T43.7 222.100006103516 222.100006103516 222.100006103516 43.6733380065034 43.6733380065034 43.6733380065034 1 1 0 2638 2.58779566448148 -0.572324998606046 0.650590240119449
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316 M222T2567 M222.1T42.8 222.100006103516 222.100006103516 222.100006103516 42.7858714460137 42.7858714460137 42.7858714460137 1 1 0 5858 1.3999435026307 -0.278211928738335 0.823695278984924
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317 M222T2799 M222.1T46.6 222.100006103516 222.100006103516 222.100006103516 46.6423139337858 46.6423139337858 46.6423139337858 1 0 1 [M-H-CH2O]- 253.126 3935 Inf 3.30926081141113 0.186820966597893
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318 M222T2589 M222.1T43.2 222.100006103516 222.100006103516 222.100006103516 43.1510381126804 43.1510381126804 43.1510381126804 1 1 0 2882 Inf -1 0.5
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319 M222T3493 M222.2T58.2 222.199996948242 222.199996948242 222.199996948242 58.2236548255302 58.2236548255302 58.2236548255302 1 0 1 1775 3.45857588448154 0.682891716631512 0.604871383308136
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320 M222T3525 M222.2T58.8 222.199996948242 222.199996948242 222.199996948242 58.7535947597625 58.7535947597625 58.7535947597625 1 0 1 359 Inf 1 0.5
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321 M222T3172 M222.2T52.9 222.199996948242 222.199996948242 222.199996948242 52.8722617831009 52.8722617831009 52.8722617831009 1 1 0 764 3.98392122739043 -0.726455228708209 0.588709959661518
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322 M222T3612 M222.3T60.2 222.300003051758 222.300003051758 222.300003051758 60.1930182936578 60.1930182936578 60.1930182936578 1 0 1 2572 Inf 1 0.5
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323 M223T3894 M222.8T64.9 222.800003051758 222.800003051758 222.800003051758 64.8997846088788 64.8756667119998 64.9239025057578 2 1 1 4897 1.7341211225997 0.366731747220839 0.756523647533177
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324 M223T4175 M222.8T69.6 222.800003051758 222.800003051758 222.800003051758 69.5823539059201 69.5823539059201 69.5823539059201 1 0 1 4377 5.50715743688807 0.805250430911188 0.561562217464562
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325 M223T3934 M222.8T65.6 222.800003051758 222.800003051758 222.800003051758 65.5664103685869 65.5664103685869 65.5664103685869 1 1 0 2973 Inf -1 0.5
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326 M223T3161 M222.9T52.7 222.900009155273 222.900009155273 222.900009155273 52.6786376907895 52.6786376907895 52.6786376907895 1 0 1 821 1.06153249698264 0.0421925701829497 0.970190688826935
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327 M223T3464 M222.9T57.7 222.900009155273 222.900009155273 222.900009155273 57.7310778299006 57.7310778299006 57.7310778299006 1 0 1 1263 2.18945654429961 3.02565621398256 0.129383766243475
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328 M223T3950 M222.9T65.8 222.900009155273 222.900009155273 222.900009155273 65.8264680601792 65.8264680601792 65.8264680601792 1 1 0 3725 2.3520635732327 0.703411266356621 0.598761535195631
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329 M223T4187 M223T69.8 223 223 223 69.7885752156603 69.7885752156603 69.7885752156603 1 0 1 255 5.11950881473467 1.6601832136477 0.291294896192626
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330 M223T2945 M223.1T49.1 223.100006103516 223.100006103516 223.100006103516 49.077294936913 49.077294936913 49.077294936913 1 1 0 2801 Inf -1 0.5
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331 M223T2808 M223.1T46.8 223.100006103516 223.100006103516 223.100006103516 46.8071117251896 46.8071117251896 46.8071117251896 1 1 0 238 Inf -1 0.5
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332 M223T2787 M223.1T46.4 223.100006103516 223.100006103516 223.100006103516 46.4451542533488 46.4451542533488 46.4451542533488 1 1 0 905 Inf -1 0.5
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333 M223T2530 M223.1T42.2 223.100006103516 223.100006103516 223.100006103516 42.1716180813334 42.1716180813334 42.1716180813334 1 0 1 188 3.42681739808577 1.11448401466404 0.445212974843848
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334 M223T4098 M223.2T68.3 223.199996948242 223.199996948242 223.199996948242 68.2989875741592 68.2815318044715 68.3164433438469 2 1 1 5089 1.2778430273122 -0.198855214996275 0.860767674088328
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335 M223T3313 M223.2T55.2 223.199996948242 223.199996948242 223.199996948242 55.2237562221118 55.2237562221118 55.2237562221118 1 1 0 511 Inf -1 0.5
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336 M224T4048 M223.7T67.5 223.699996948242 223.699996948242 223.699996948242 67.4745181725086 67.4745181725086 67.4745181725086 1 1 0 4104 6.59958315649545 -0.838899473630389 0.550597817518129
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337 M224T4012 M223.7T66.9 223.699996948242 223.699996948242 223.699996948242 66.8687605846931 66.8687605846931 66.8687605846931 1 0 1 5205 Inf 1 0.5
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338 M224T3097_1 M223.9T51.6_1 223.900009155273 223.900009155273 223.900009155273 51.624893231595 51.624893231595 51.624893231595 1 1 0 5357 Inf -1 0.5
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339 M224T3165 M223.9T52.7 223.900009155273 223.900009155273 223.900009155273 52.7443712332593 52.7443712332593 52.7443712332593 1 1 0 822 1.772050962036 -0.379434803631577 0.749177598905866
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340 M224T3761 M223.9T62.7 223.900009155273 223.900009155273 223.900009155273 62.6854687573647 62.6854687573647 62.6854687573647 1 0 1 966 1.04560536043253 -0.0406968890193516 0.97233250455723
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341 M224T2739 M223.9T45.6 223.900009155273 223.900009155273 223.900009155273 45.6459308446171 45.6459308446171 45.6459308446171 1 1 0 4426 Inf -1 0.5
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342 M224T2979 M223.9T49.6 223.900009155273 223.900009155273 223.900009155273 49.6463827971928 49.6463827971928 49.6463827971928 1 1 0 159 2.12828531941466 -0.512598709737576 0.689866559893908
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343 M224T2954 M223.9T49.2 223.900009155273 223.900009155273 223.900009155273 49.2325766346981 49.2325766346981 49.2325766346981 1 1 0 3178 2.7305673932987 -0.595122093462498 0.640559458837083
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344 M224T3097_2 M224.2T51.6_2 224.199996948242 224.199996948242 224.199996948242 51.6235928098989 51.6235928098989 51.6235928098989 1 0 1 5358 Inf 1 0.5
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345 M224T2909 M224.2T48.5 224.199996948242 224.199996948242 224.199996948242 48.4902198805205 48.4902198805205 48.4902198805205 1 0 1 2762 4.15055794092966 0.737952334413086 0.584594228683282
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346 M224T3052 M224.2T50.9 224.199996948242 224.199996948242 224.199996948242 50.8723257023458 50.8723257023458 50.8723257023458 1 0 1 3476 Inf 2.11160153736559 0.2815669721064
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347 M224T3074 M224.2T51.2 224.199996948242 224.199996948242 224.199996948242 51.2305310704945 51.2305310704945 51.2305310704945 1 1 0 2417 Inf -1 0.5
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348 M224T3618 M224.3T60.3 224.300003051758 224.300003051758 224.300003051758 60.304338600179 60.304338600179 60.304338600179 1 1 0 2573 Inf -1 0.5
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349 M225T4114 M224.8T68.6 224.800003051758 224.800003051758 224.800003051758 68.5748676214309 68.5748676214309 68.5748676214309 1 0 1 2283 Inf 1 0.5
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350 M225T4125 M224.9T68.8 224.900009155273 224.900009155273 224.900009155273 68.7551909651299 68.7551909651299 68.7551909651299 1 1 0 1471 5.28501373217068 -0.796650287464795 0.564416134461468
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351 M225T3320 M224.9T55.3 224.900009155273 224.900009155273 224.900009155273 55.3268954561759 55.3268954561759 55.3268954561759 1 0 1 1133 Inf 1 0.5
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352 M225T3572 M224.9T59.5 224.900009155273 224.900009155273 224.900009155273 59.5364768277846 59.5364768277846 59.5364768277846 1 0 1 1647 Inf 1 0.5
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353 M225T2867 M225T47.8 225 225 225 47.790019876987 47.6538052204238 47.790019876987 3 1 1 3641 4.15674401515106 -1.02390620924114 0.487062499430773
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354 M225T3848 M225T64.1 225 225 225 64.1317421799532 64.1317421799532 64.1317421799532 1 1 0 [M-H-C3H3]- 265.028 [M-H-HC2N]- 265.028 21 1.65656140893975 -0.402173867501115 0.742564043565121
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355 M225T3657 M225.1T61 225.100006103516 225.100006103516 225.100006103516 60.9582703826059 60.9582703826059 60.9582703826059 1 1 0 [M-H-C2H4O2]- 286.127 47 3.23684621137209 -0.92762540542935 0.514237482383007
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356 M225T3872 M225.2T64.5 225.199996948242 225.199996948242 225.199996948242 64.5331199134111 64.5331199134111 64.5331199134111 1 1 0 2730 3.64833703870026 0.771875902118242 0.564524850268289
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357 M225T3414 M225.2T56.9 225.199996948242 225.199996948242 225.199996948242 56.9051252893982 56.9051252893982 56.9051252893982 1 1 0 858 Inf -1 0.5
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358 M225T4091 M225.3T68.2 225.300003051758 225.300003051758 225.300003051758 68.1804133862753 68.1804133862753 68.1804133862753 1 1 0 4968 Inf -1 0.5
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359 M226T3518 M225.8T58.6 225.800003051758 225.800003051758 225.800003051758 58.6369436897545 58.6369436897545 58.6369436897545 1 0 1 374 Inf 1 0.5
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360 M226T3985 M225.8T66.4 225.800003051758 225.800003051758 225.800003051758 66.4238999371341 66.4238999371341 66.4238999371341 1 0 1 4484 Inf 1 0.5
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361 M226T3329 M225.9T55.5 225.900009155273 225.900009155273 225.900009155273 55.4850204808216 55.4850204808216 55.4850204808216 1 0 1 1082 2.91727970438643 0.737793555187163 0.568225536489847
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362 M226T3858 M225.9T64.3 225.900009155273 225.900009155273 225.900009155273 64.2931743010309 64.2931743010309 64.2931743010309 1 0 1 1350 1.5602021808353 -0.534772463813185 0.675300561624322
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363 M226T3910 M225.9T65.2 225.900009155273 225.900009155273 225.900009155273 65.1694320732506 65.1694320732506 65.1694320732506 1 0 1 4791 3.13153866710121 0.856077704497744 0.515444572783916
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364 M226T2947 M225.9T49.1 225.900009155273 225.900009155273 225.900009155273 49.1170000815801 49.1170000815801 49.1170000815801 1 1 0 [M-H-CO2]- 270.905 [M-H-N2O]- 270.905 70 2.4666345913229 -0.83315621289301 0.501740640748095
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365 M226T4023 M225.9T67.1 225.900009155273 225.900009155273 225.900009155273 67.0559865851753 67.0559865851753 67.0559865851753 1 1 0 5568 4.86416375364419 -0.778140827403052 0.570640510977497
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366 M226T4119 M226T68.7 226 226 226 68.6507308456228 68.6507308456228 68.6507308456228 1 1 0 4546 1.80359430387988 -0.816659386959036 0.558464245272102
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367 M226T4108 M226.1T68.5 226.100006103516 226.100006103516 226.100006103516 68.4650466102311 68.4650466102311 68.4650466102311 1 1 0 43 1.29626821548508 -0.210406936028872 0.852840969465525
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368 M226T4050 M226.1T67.5 226.100006103516 226.100006103516 226.100006103516 67.4935162561624 67.4935162561624 67.4935162561624 1 1 0 3404 3.14412355804712 -0.681933391334594 0.618977622113457
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369 M226T3883 M226.1T64.7 226.100006103516 226.100006103516 226.100006103516 64.7249495620513 64.7249495620513 64.7249495620513 1 0 1 41 46.404461485016 0.978223236958914 0.506887141877816
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371 M226T3068 M226.2T51.1 226.199996948242 226.199996948242 226.199996948242 51.1345603230162 51.1345603230162 51.1345603230162 1 0 1 2418 Inf 1 0.5
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372 M226T3256 M226.2T54.3 226.199996948242 226.199996948242 226.199996948242 54.2657101212908 54.2657101212908 54.2657101212908 1 1 0 1907 12.2090654519348 -0.915029473165666 0.526598654227439
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373 M226T3822 M226.2T63.7 226.199996948242 226.199996948242 226.199996948242 63.7041691665313 63.7041691665313 63.7041691665313 1 1 0 1870 1.7174044181843 -0.515528987174287 0.671861170391446
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374 M226T3778 M226.2T63 226.199996948242 226.199996948242 226.199996948242 62.9612369080127 62.9612369080127 62.9612369080127 1 1 0 3661 1.54355444638792 -0.295542727597418 0.799466428094323
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376 M226T3713 M226.3T61.9 226.300003051758 226.300003051758 226.300003051758 61.876040013584 61.876040013584 61.876040013584 1 1 0 1166 Inf -1 0.5
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377 M226T2917 M226.3T48.6 226.300003051758 226.300003051758 226.300003051758 48.6197414605152 48.6197414605152 48.6197414605152 1 0 1 2763 Inf 1 0.5
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378 M226T4058 M226.3T67.6 226.300003051758 226.300003051758 226.300003051758 67.6306782148255 67.6306782148255 67.6306782148255 1 0 1 4689 Inf 1 0.5
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379 M226T2611 M226.3T43.5 226.300003051758 226.300003051758 226.300003051758 43.5112995766058 43.5112995766058 43.5112995766058 1 1 0 4004 Inf -1 0.5
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380 M226T3935 M226.5T65.6 226.5 226.5 226.5 65.5809837470753 65.5809837470753 65.5809837470753 1 0 1 4135 Inf 1 0.5
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381 M227T3685 M226.9T61.4 226.900009155273 226.900009155273 226.900009155273 61.4095073409087 61.4095073409087 61.4095073409087 1 0 1 577 Inf 1 0.5
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382 M227T3895 M226.9T64.9 226.900009155273 226.900009155273 226.900009155273 64.9180137260762 64.9180137260762 64.9180137260762 1 1 0 4913 1.65250519220819 -0.337819360486937 0.773609862112778
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383 M227T3268 M226.9T54.5 226.900009155273 226.900009155273 226.900009155273 54.4585141814754 54.4585141814754 54.4585141814754 1 1 0 5467 8.19301305024864 -0.871477372425255 0.540228341557117
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384 M227T3738 M226.9T62.3 226.900009155273 226.900009155273 226.900009155273 62.2933008732179 62.2933008732179 62.2933008732179 1 1 0 5196 Inf -1 0.5
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385 M227T3401 M226.9T56.7 226.900009155273 226.900009155273 226.900009155273 56.6765408961091 56.6765408961091 56.6765408961091 1 1 0 1307 2.16763369598463 -0.489126470938122 0.690078271117778
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386 M227T4130 M226.9T68.8 226.900009155273 226.900009155273 226.900009155273 68.8333775949274 68.8333775949274 68.8333775949274 1 0 1 1472 10.3219222349011 0.898910104768861 0.531623257158999
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387 M227T3553 M227.2T59.2 227.199996948242 227.199996948242 227.199996948242 59.2208577917393 59.2208577917393 59.2208577917393 1 0 1 247 Inf 1 0.5
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388 M227T3604 M227.2T60.1 227.199996948242 227.199996948242 227.199996948242 60.0745266554824 60.0745266554824 60.0745266554824 1 1 0 1444 1.5703912401809 -0.337871655609517 0.781771968776448
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389 M227T4168 M227.3T69.5 227.300003051758 227.300003051758 227.300003051758 69.4618250318358 69.4618250318358 69.4618250318358 1 1 0 5918 Inf -1 0.5
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390 M227T4135 M227.3T68.9 227.300003051758 227.300003051758 227.300003051758 68.9109701073071 68.9109701073071 68.9109701073071 1 0 1 3956 Inf 1 0.5
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391 M228T4016 M227.7T66.9 227.699996948242 227.699996948242 227.699996948242 66.9391540824249 66.9391540824249 66.9391540824249 1 1 0 5968 Inf -1 0.5
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392 M228T3902 M227.8T65 227.800003051758 227.800003051758 227.800003051758 65.0387550612303 65.0387550612303 65.0387550612303 1 0 1 4806 14.3506332680052 1.73211807198302 0.327131748513655
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393 M228T4070 M227.8T67.8 227.800003051758 227.800003051758 227.800003051758 67.8408110616581 67.8408110616581 67.8408110616581 1 0 1 3864 19.0953885293827 0.946334573311991 0.516858577395594
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394 M228T3530 M227.8T58.8 227.800003051758 227.800003051758 227.800003051758 58.8305869357913 58.8305869357913 58.8305869357913 1 1 0 1938 9.85006574418639 -0.893883128781278 0.533194006566046
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395 M228T4027 M227.8T67.1 227.800003051758 227.800003051758 227.800003051758 67.1241327452581 67.1241327452581 67.1241327452581 1 1 0 3751 Inf -1 0.5
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396 M228T2776 M227.9T46.3 227.900009155273 227.900009155273 227.900009155273 46.2664210977502 46.2180081560602 46.3148340394402 2 1 1 5118 1.07339735323405 -0.0601677005919742 0.958057932507505
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397 M228T2692 M227.9T44.9 227.900009155273 227.900009155273 227.900009155273 44.8700907630438 44.8700907630438 44.8700907630438 1 0 1 224 1.31479635053448 0.327842800099995 0.774776148026025
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398 M228T3521 M227.9T58.7 227.900009155273 227.900009155273 227.900009155273 58.6890071058393 58.6890071058393 58.6890071058393 1 0 1 375 Inf 2.32279930359581 0.258806712857561
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399 M228T3798 M227.9T63.3 227.900009155273 227.900009155273 227.900009155273 63.2929633862 63.2929633862 63.2929633862 1 0 1 2828 2.99420395719012 -0.98456365081917 0.451018839571593
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400 M228T3691 M227.9T61.5 227.900009155273 227.900009155273 227.900009155273 61.5116474731666 61.5116474731666 61.5116474731666 1 1 0 578 Inf -1 0.5
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401 M228T3624 M227.9T60.4 227.900009155273 227.900009155273 227.900009155273 60.3952301724741 60.3952301724741 60.3952301724741 1 0 1 1601 Inf 1 0.5
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402 M228T3175 M228.1T52.9 228.100006103516 228.100006103516 228.100006103516 52.9224338408828 52.9224338408828 52.9224338408828 1 1 0 8 1.85259223043737 -0.699904499354801 0.608202452212879
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403 M228T3846 M228.2T64.1 228.199996948242 228.199996948242 228.199996948242 64.1004477702677 64.0786131787182 64.1222823618172 2 1 1 21 2.10562241573489 0.69244986630728 0.575531424361171
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404 M228T2875 M228.2T47.9 228.199996948242 228.199996948242 228.199996948242 47.9206236823439 47.9206236823439 47.9206236823439 1 1 0 4725 Inf -2.14198446432074 0.278064869085584
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405 M228T3309 M228.3T55.1 228.300003051758 228.300003051758 228.300003051758 55.1430121663691 55.1430121663691 55.1430121663691 1 0 1 512 Inf 1 0.5
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406 M228T3959 M228.4T66 228.400009155273 228.400009155273 228.400009155273 65.9830969659619 65.9830969659619 65.9830969659619 1 1 0 5906 Inf -1 0.5
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407 M229T4074 M228.8T67.9 228.800003051758 228.800003051758 228.800003051758 67.8933246007054 67.8933246007054 67.8933246007054 1 0 1 3865 Inf 1 0.5
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408 M229T3746 M228.8T62.4 228.800003051758 228.800003051758 228.800003051758 62.4396438301653 62.4396438301653 62.4396438301653 1 1 0 1039 Inf -1 0.5
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409 M229T3751 M228.9T62.5 228.900009155273 228.900009155273 228.900009155273 62.5155748420265 62.5039961174716 62.5271535665815 2 1 1 1040 1.09282970875352 0.0750868579796309 0.947549238990161
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410 M229T2657 M228.9T44.3 228.900009155273 228.900009155273 228.900009155273 44.2835982910208 44.1993320891455 44.367864492896 2 2 0 4033 Inf -9.53420193201446 0.0665289644245339
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411 M229T3520 M228.9T58.7 228.900009155273 228.900009155273 228.900009155273 58.6618656936205 58.6618656936205 58.6618656936205 1 1 0 376 1.18000387303081 -0.150583193671945 0.903905562147797
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412 M229T4037 M228.9T67.3 228.900009155273 228.900009155273 228.900009155273 67.2818438258993 67.2818438258993 67.2818438258993 1 0 1 3752 Inf 1 0.5
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413 M229T3895 M228.9T64.9 228.900009155273 228.900009155273 228.900009155273 64.9239025057578 64.9239025057578 64.9239025057578 1 0 1 138 1.30723741832405 -0.186672374583418 0.870172615200119
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414 M229T3834 M228.9T63.9 228.900009155273 228.900009155273 228.900009155273 63.8990412517743 63.8990412517743 63.8990412517743 1 0 1 3341 2.15374787586519 -0.737382303780542 0.539888285500727
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415 M229T3799 M228.9T63.3 228.900009155273 228.900009155273 228.900009155273 63.3109132648164 63.3109132648164 63.3109132648164 1 0 1 2832 2.65546741088594 0.583420981766692 0.645666737779982
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416 M229T3432 M229T57.2 229 229 229 57.1946406784847 57.1946406784847 57.1946406784847 1 1 0 4914 1.02680537479136 0.0260653837759932 0.98307075905093
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417 M229T3410 M229.2T56.8 229.199996948242 229.199996948242 229.199996948242 56.8414825905139 56.8068285605479 56.8761366204799 2 1 1 11 2.26439876030854 -0.510789945035373 0.679352819934767
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418 M229T3803 M229.2T63.4 229.199996948242 229.199996948242 229.199996948242 63.3827143219229 63.3827143219229 63.3827143219229 1 1 0 2827 38.5668078781574 -2.65686117029466 0.227165459285392
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419 M229T3817 M229.3T63.6 229.300003051758 229.300003051758 229.300003051758 63.6157205348401 63.6157205348401 63.6157205348401 1 1 0 2376 Inf -1 0.5
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420 M229T4295 M229.3T71.6 229.300003051758 229.300003051758 229.300003051758 71.5799790738671 71.5799790738671 71.5799790738671 1 0 1 281 Inf 1 0.5
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422 M230T3940 M229.9T65.7 229.900009155273 229.900009155273 229.900009155273 65.6685911472988 65.6685911472988 65.6685911472988 1 1 0 4136 Inf -1.15408053724929 0.454540262846951
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423 M230T2545 M229.9T42.4 229.900009155273 229.900009155273 229.900009155273 42.4207214460137 42.4207214460137 42.4207214460137 1 1 0 5154 Inf -1 0.5
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425 M230T4085 M230T68.1 230 230 230 68.0758797868082 68.0758797868082 68.0758797868082 1 1 0 5731 1.0839299317764 -0.101157388067102 0.935149945042414
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426 M230T3804 M230T63.4 230 230 230 63.4062658614444 63.4062658614444 63.4062658614444 1 1 0 2827 2.08010532079819 -0.863872628587747 0.484761874528957
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427 M230T4136 M230.1T68.9 230.100006103516 230.100006103516 230.100006103516 68.937955126004 68.937955126004 68.937955126004 1 1 0 3957 3.70171398056955 -0.728002698320306 0.598394192465783
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430 M231T3708 M230.9T61.8 230.900009155273 230.900009155273 230.900009155273 61.7983741443782 61.7983741443782 61.7983741443782 1 1 0 1167 1.28335690200198 -0.174163209729929 0.878613078165628
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433 M232T3607 M231.8T60.1 231.800003051758 231.800003051758 231.800003051758 60.1240198193452 60.1240198193452 60.1240198193452 1 1 0 4670 Inf -1 0.5
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434 M232T3109 M231.9T51.8 231.900009155273 231.900009155273 231.900009155273 51.808915566138 51.808915566138 51.808915566138 1 1 0 3126 Inf -1 0.5
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435 M232T3513 M231.9T58.5 231.900009155273 231.900009155273 231.900009155273 58.5477781155514 58.5477781155514 58.5477781155514 1 0 1 4512 1.23633754510506 -0.148627310691879 0.89600471700755
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436 M232T3057 M231.9T50.9 231.900009155273 231.900009155273 231.900009155273 50.942257627037 50.942257627037 50.942257627037 1 1 0 3482 Inf -1 0.5
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437 M232T3249 M231.9T54.1 231.900009155273 231.900009155273 231.900009155273 54.1425142229737 54.1425142229737 54.1425142229737 1 1 0 1908 Inf -1 0.5
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438 M232T4139 M231.9T69 231.900009155273 231.900009155273 231.900009155273 68.9884877004979 68.9884877004979 68.9884877004979 1 0 1 3958 Inf 1 0.5
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439 M232T2973 M231.9T49.5 231.900009155273 231.900009155273 231.900009155273 49.5499932935581 49.5499932935581 49.5499932935581 1 0 1 3245 Inf 1 0.5
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440 M232T4105 M232T68.4 232 232 232 68.4179933392966 68.3681247202827 68.4678619583106 2 1 1 5648 1.06332934525915 0.0726546281953606 0.949447441709337
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441 M232T4133 M232T68.9 232 232 232 68.8851037723597 68.8851037723597 68.8851037723597 1 0 1 23 1.51231296445428 0.442052467762462 0.710480069729974
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442 M232T2889 M232.2T48.2 232.199996948242 232.199996948242 232.199996948242 48.1569973545779 48.1569973545779 48.1569973545779 1 1 0 3824 Inf -1 0.5
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443 M232T3728 M232.2T62.1 232.199996948242 232.199996948242 232.199996948242 62.1322943738121 62.1322943738121 62.1322943738121 1 0 1 3540 5.65297667713163 1.03958776489867 0.474307803875456
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444 M232T3952 M232.2T65.9 232.199996948242 232.199996948242 232.199996948242 65.8749118479471 65.8749118479471 65.8749118479471 1 0 1 5449 Inf 1 0.5
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445 M232T3833 M232.2T63.9 232.199996948242 232.199996948242 232.199996948242 63.8772288018497 63.8772288018497 63.8772288018497 1 1 0 3343 Inf -1 0.5
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446 M232T2544 M232.2T42.4 232.199996948242 232.199996948242 232.199996948242 42.3946381126804 42.3946381126804 42.3946381126804 1 1 0 5155 Inf -1 0.5
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447 M232T3310 M232.2T55.2 232.199996948242 232.199996948242 232.199996948242 55.1666207548031 55.1666207548031 55.1666207548031 1 1 0 513 Inf -1 0.5
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448 M232T3722 M232.3T62 232.300003051758 232.300003051758 232.300003051758 62.0317836515324 62.0317836515324 62.0317836515324 1 1 0 3434 Inf -1 0.5
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449 M232T3750 M232.3T62.5 232.300003051758 232.300003051758 232.300003051758 62.5039961174716 62.5039961174716 62.5039961174716 1 1 0 1041 Inf -1 0.5
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450 M233T4097 M232.8T68.3 232.800003051758 232.800003051758 232.800003051758 68.2815318044715 68.2815318044715 68.2815318044715 1 1 0 5112 Inf -4.47041427404513 0.140100908385872
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451 M233T3900 M232.9T65 232.900009155273 232.900009155273 232.900009155273 65.0076224553358 65.0076224553358 65.0076224553358 1 1 0 4807 2.33819845938428 -0.526215114996946 0.671907499987369
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452 M233T3472 M232.9T57.9 232.900009155273 232.900009155273 232.900009155273 57.8585305627072 57.8585305627072 57.8585305627072 1 0 1 31 Inf 1 0.5
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453 M233T3963 M232.9T66.1 232.900009155273 232.900009155273 232.900009155273 66.0540795330602 66.0540795330602 66.0540795330602 1 0 1 1981 8.05746647739732 1.65361281842549 0.34620916518677
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454 M233T2822 M232.9T47 232.900009155273 232.900009155273 232.900009155273 47.0390367231235 47.0390367231235 47.0390367231235 1 1 0 3289 4.01757310029911 -0.728854886629313 0.587846055100875
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455 M233T3385 M232.9T56.4 232.900009155273 232.900009155273 232.900009155273 56.4135252405169 56.4135252405169 56.4135252405169 1 0 1 1548 2.26271508144301 0.973563499038532 0.459698367914059
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456 M233T3326 M232.9T55.4 232.900009155273 232.900009155273 232.900009155273 55.4322087716037 55.4322087716037 55.4322087716037 1 0 1 1084 2.07643822626217 0.648503614600873 0.587492146865549
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457 M233T3026 M233T50.4 233 233 233 50.4368764844775 50.4279564042043 50.4457965647507 2 1 1 39 1.05439526292196 -1.25638715860925 0.337974125216898
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458 M233T3308 M233.2T55.1 233.199996948242 233.199996948242 233.199996948242 55.1403209090725 55.1403209090725 55.1403209090725 1 1 0 514 Inf -1 0.5
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459 M233T3536 M233.2T58.9 233.199996948242 233.199996948242 233.199996948242 58.9359109844876 58.9359109844876 58.9359109844876 1 1 0 1939 Inf -1 0.5
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460 M233T4119 M233.2T68.7 233.199996948242 233.199996948242 233.199996948242 68.6550448101035 68.6550448101035 68.6550448101035 1 0 1 120 2.44904046668365 1.38457886005942 0.370406148009998
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461 M233T3189 M233.2T53.1 233.199996948242 233.199996948242 233.199996948242 53.1497747913349 53.1497747913349 53.1497747913349 1 1 0 2181 Inf -4.3098681085995 0.145143847666793
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462 M233T4170 M233.2T69.5 233.199996948242 233.199996948242 233.199996948242 69.4963083146132 69.4963083146132 69.4963083146132 1 0 1 5919 2.46873079085761 0.586628101270065 0.6579400410398
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463 M233T3962 M233.3T66 233.300003051758 233.300003051758 233.300003051758 66.0277960558264 66.0277960558264 66.0277960558264 1 0 1 6130 2.6935616771446 0.58943410131316 0.643031353710827
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464 M233T4176 M233.4T69.6 233.400009155273 233.400009155273 233.400009155273 69.6081394901155 69.6081394901155 69.6081394901155 1 0 1 4378 Inf 1 0.5
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465 M234T2660 M233.8T44.3 233.800003051758 233.800003051758 233.800003051758 44.3326606530444 44.3326606530444 44.3326606530444 1 0 1 2263 Inf 1 0.5
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466 M234T3294 M233.8T54.9 233.800003051758 233.800003051758 233.800003051758 54.9069356393493 54.9069356393493 54.9069356393493 1 0 1 5979 Inf 1 0.5
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467 M234T3005 M233.8T50.1 233.800003051758 233.800003051758 233.800003051758 50.085980876356 50.085980876356 50.085980876356 1 0 1 4099 Inf 1 0.5
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468 M234T2702 M233.9T45 233.900009155273 233.900009155273 233.900009155273 45.0274246562821 45.0274246562821 45.0274246562821 1 1 0 4857 1.03579717036527 -0.0248634883551241 0.982424046480909
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469 M234T4017 M233.9T66.9 233.900009155273 233.900009155273 233.900009155273 66.9475934203265 66.9475934203265 66.9475934203265 1 0 1 5969 2.01928667817035 0.614409915585087 0.649166981461853
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470 M234T3576 M233.9T59.6 233.900009155273 233.900009155273 233.900009155273 59.6031109590044 59.6031109590044 59.6031109590044 1 0 1 1648 1.60818396197134 0.321154743057541 0.783681959939118
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471 M234T3779 M233.9T63 233.900009155273 233.900009155273 233.900009155273 62.9818617530656 62.9818617530656 62.9818617530656 1 1 0 3663 1.73603846700337 -0.404654847678333 0.746255183122073
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472 M234T2839 M233.9T47.3 233.900009155273 233.900009155273 233.900009155273 47.3129528850281 47.3129528850281 47.3129528850281 1 0 1 4646 2.49258687015497 1.20364571680739 0.361174401484324
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473 M234T3259 M233.9T54.3 233.900009155273 233.900009155273 233.900009155273 54.3186216158555 54.3186216158555 54.3186216158555 1 0 1 3593 Inf 3.6930605808871 0.168345785429204
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474 M234T3829 M234.1T63.8 234.100006103516 234.100006103516 234.100006103516 63.8201795634223 63.8201795634223 63.8201795634223 1 0 1 1871 1.8052598205955 -0.390197152181662 0.743032741667748
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475 M234T3014 M234.1T50.2 234.100006103516 234.100006103516 234.100006103516 50.2399667996252 50.2399667996252 50.2399667996252 1 1 0 2076 4.46442870483561 -2.19853963611187 0.245161550104267
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476 M234T3782 M234.1T63 234.100006103516 234.100006103516 234.100006103516 63.0288128162637 63.0288128162637 63.0288128162637 1 0 1 3664 Inf 1 0.5
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477 M234T3874 M234.2T64.6 234.199996948242 234.199996948242 234.199996948242 64.5594389014952 64.5594389014952 64.5594389014952 1 1 0 2731 3.46521096645416 -2.45498002008855 0.242949117883227
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478 M234T2618 M234.2T43.6 234.199996948242 234.199996948242 234.199996948242 43.6322514146668 43.6322514146668 43.6322514146668 1 0 1 2613 1.08371616039123 -0.0567721727470127 0.959917716526024
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479 M234T3670 M234.2T61.2 234.199996948242 234.199996948242 234.199996948242 61.1744674403 61.1744674403 61.1744674403 1 1 0 441 6.40838677746329 -1.22412134165002 0.420613209511822
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480 M234T3526 M234.2T58.8 234.199996948242 234.199996948242 234.199996948242 58.7673506667432 58.7673506667432 58.7673506667432 1 1 0 377 6.56289116849187 -0.837956449490094 0.550901186968567
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481 M234T3528 M234.3T58.8 234.300003051758 234.300003051758 234.300003051758 58.8052214540047 58.8052214540047 58.8052214540047 1 0 1 378 Inf 1 0.5
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482 M234T3332 M234.3T55.5 234.300003051758 234.300003051758 234.300003051758 55.5379857096822 55.5379857096822 55.5379857096822 1 0 1 1089 1.64707934178944 0.335816972820138 0.774811614224326
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483 M234T3954 M234.3T65.9 234.300003051758 234.300003051758 234.300003051758 65.901052469966 65.901052469966 65.901052469966 1 0 1 5450 Inf 1 0.5
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484 M234T3634 M234.5T60.6 234.5 234.5 234.5 60.5654924402783 60.5654924402783 60.5654924402783 1 0 1 2360 Inf 1 0.5
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485 M234T4014 M234.5T66.9 234.5 234.5 234.5 66.8926125113813 66.8926125113813 66.8926125113813 1 0 1 5206 Inf 1 0.5
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486 M235T3771 M234.8T62.8 234.800003051758 234.800003051758 234.800003051758 62.8486881935216 62.8486881935216 62.8486881935216 1 1 0 13 1.35198682579853 0.209313294453108 0.855042523604007
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487 M235T4126 M234.9T68.8 234.900009155273 234.900009155273 234.900009155273 68.76816599547 68.7029543960126 68.8333775949274 2 1 1 1464 1.47044967616428 0.640997593942227 0.633738554130719
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488 M235T3321 M234.9T55.4 234.900009155273 234.900009155273 234.900009155273 55.3505595148053 55.3505595148053 55.3505595148053 1 1 0 1134 1.75815404650145 -0.539081132064723 0.643818392786798
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489 M235T3706 M234.9T61.8 234.900009155273 234.900009155273 234.900009155273 61.7655456241751 61.7655456241751 61.7655456241751 1 0 1 17 5.95352440838215 3.42095720916852 0.148091310287569
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490 M235T3976 M234.9T66.3 234.900009155273 234.900009155273 234.900009155273 66.2671959497008 66.2671959497008 66.2671959497008 1 0 1 2000 1.19972832079294 -0.1508732514877 0.894162371884165
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491 M235T3414 M234.9T56.9 234.900009155273 234.900009155273 234.900009155273 56.8917349501817 56.8917349501817 56.8917349501817 1 0 1 859 Inf 1.43093589297016 0.388305753833284
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492 M235T2767 M234.9T46.1 234.900009155273 234.900009155273 234.900009155273 46.1156802005202 46.1156802005202 46.1156802005202 1 0 1 94 Inf 1 0.5
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493 M235T3593 M234.9T59.9 234.900009155273 234.900009155273 234.900009155273 59.8882350856145 59.8882350856145 59.8882350856145 1 0 1 226 2.4381333303831 0.588610160268021 0.66065308910577
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496 M235T3499 M235.2T58.3 235.199996948242 235.199996948242 235.199996948242 58.3227923093105 58.3227923093105 58.3227923093105 1 1 0 3365 Inf -1 0.5
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497 M235T3981 M235.2T66.3 235.199996948242 235.199996948242 235.199996948242 66.3431734683135 66.3431734683135 66.3431734683135 1 0 1 183 15.0285539298038 1.09486435633376 0.469460810660834
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499 M236T3908 M235.8T65.1 235.800003051758 235.800003051758 235.800003051758 65.1256297334466 65.1256297334466 65.1256297334466 1 1 0 4808 3.69170521453071 -0.703760384425476 0.597013110637027
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500 M236T3708 M235.8T61.8 235.800003051758 235.800003051758 235.800003051758 61.7916682009438 61.7916682009438 61.7916682009438 1 0 1 1168 Inf 1 0.5
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501 M236T3772 M235.8T62.9 235.800003051758 235.800003051758 235.800003051758 62.8703040107568 62.8703040107568 62.8703040107568 1 0 1 13 8.72704176573959 3.51428038371953 0.108727545216414
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504 M236T3968 M235.9T66.1 235.900009155273 235.900009155273 235.900009155273 66.1329293615875 66.1329293615875 66.1329293615875 1 0 1 2001 Inf 1 0.5
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505 M236T2589 M235.9T43.1 235.900009155273 235.900009155273 235.900009155273 43.1461495766058 43.1461495766058 43.1461495766058 1 1 0 2883 2.69429734806479 -1.23569182707996 0.430511190549605
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508 M236T4083 M236T68.1 236 236 236 68.0509125128589 68.0509125128589 68.0509125128589 1 0 1 5734 1.1798820180644 0.260975419113612 0.835650054017962
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509 M236T4031 M236T67.2 236 236 236 67.1781432037668 67.1781432037668 67.1781432037668 1 0 1 3753 3.022533896874 1.02548499452203 0.491160683287865
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510 M236T4115 M236T68.6 236 236 236 68.5762292856048 68.5762292856048 68.5762292856048 1 0 1 2284 Inf 1 0.5
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511 M236T2520 M236.1T42 236.100006103516 236.100006103516 236.100006103516 42.006817162303 41.9985162432725 42.0151180813334 2 1 1 147 1.92432907353914 0.855487371591864 0.519022344895706
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512 M236T4136 M236.1T68.9 236.100006103516 236.100006103516 236.100006103516 68.937955126004 68.937955126004 68.937955126004 1 1 0 3959 Inf -1 0.5
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513 M236T2884 M236.1T48.1 236.100006103516 236.100006103516 236.100006103516 48.0624165737438 48.0624165737438 48.0624165737438 1 0 1 177 2.35327840208957 1.27357598812843 0.389614251360768
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514 M236T3872 M236.1T64.5 236.100006103516 236.100006103516 236.100006103516 64.5331199134111 64.5331199134111 64.5331199134111 1 1 0 2732 Inf -1 0.5
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515 M236T4045 M236.1T67.4 236.100006103516 236.100006103516 236.100006103516 67.4222089875073 67.4222089875073 67.4222089875073 1 1 0 4101 2.5806714244324 -1.07476394823939 0.435976636405761
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516 M236T3873 M236.2T64.5 236.199996948242 236.199996948242 236.199996948242 64.5417430278147 64.5417430278147 64.5417430278147 1 0 1 2733 12.9801358108787 0.920232323600717 0.524979522364813
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517 M236T2916 M236.2T48.6 236.199996948242 236.199996948242 236.199996948242 48.5938745194084 48.5938745194084 48.5938745194084 1 0 1 2764 Inf 1 0.5
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518 M236T2753 M236.2T45.9 236.199996948242 236.199996948242 236.199996948242 45.8851598906562 45.8851598906562 45.8851598906562 1 0 1 4345 4.79668120320629 0.774862742131306 0.571755297254173
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519 M236T3674 M236.2T61.2 236.199996948242 236.199996948242 236.199996948242 61.238653379219 61.238653379219 61.238653379219 1 1 0 3684 Inf -2.06435271441748 0.287179632747368
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520 M236T3351 M236.2T55.9 236.199996948242 236.199996948242 236.199996948242 55.8520662341103 55.8520662341103 55.8520662341103 1 1 0 7 2.92963489985912 -0.90843035728689 0.527279413904439
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521 M236T3135 M236.2T52.2 236.199996948242 236.199996948242 236.199996948242 52.2467312242011 52.2467312242011 52.2467312242011 1 1 0 5005 Inf -1.57453190049077 0.360222375552855
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522 M236T3909 M236.3T65.1 236.300003051758 236.300003051758 236.300003051758 65.14329916541 65.14329916541 65.14329916541 1 0 1 4809 Inf 1 0.5
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523 M236T3706 M236.3T61.8 236.300003051758 236.300003051758 236.300003051758 61.7655456241751 61.7655456241751 61.7655456241751 1 0 1 1169 Inf 1 0.5
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524 M236T3951 M236.3T65.8 236.300003051758 236.300003051758 236.300003051758 65.8438094170703 65.8438094170703 65.8438094170703 1 0 1 3726 Inf 1 0.5
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525 M237T4105 M236.7T68.4 236.699996948242 236.699996948242 236.699996948242 68.4156059398161 68.4156059398161 68.4156059398161 1 1 0 5642 Inf -1 0.5
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526 M237T3862 M236.8T64.4 236.800003051758 236.800003051758 236.800003051758 64.3583527486707 64.3583527486707 64.3583527486707 1 0 1 1351 Inf 1 0.5
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527 M237T3809 M236.8T63.5 236.800003051758 236.800003051758 236.800003051758 63.4777083141576 63.4777083141576 63.4777083141576 1 0 1 3707 1.17599998041333 -0.114012584203551 0.919879059817738
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528 M237T3959 M236.8T66 236.800003051758 236.800003051758 236.800003051758 65.9830969659619 65.9830969659619 65.9830969659619 1 1 0 231 9.40232141251091 -0.888631431880578 0.534837509209662
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529 M237T3281 M236.9T54.7 236.900009155273 236.900009155273 236.900009155273 54.6915940667403 54.6915940667403 54.6915940667403 1 1 0 1233 Inf -1 0.5
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530 M237T3626 M236.9T60.4 236.900009155273 236.900009155273 236.900009155273 60.4324998003135 60.4324998003135 60.4324998003135 1 0 1 1602 5.77074410410568 0.814572314383964 0.558493994243663
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532 M237T3224 M236.9T53.7 236.900009155273 236.900009155273 236.900009155273 53.7305393381874 53.7305393381874 53.7305393381874 1 1 0 4295 4.52183638850841 -0.760476602506282 0.576694910995285
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533 M237T4128 M237T68.8 237 237 237 68.8075175566691 68.8075175566691 68.8075175566691 1 0 1 23 6.87191239324668 4.92138474991744 0.052234629771565
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534 M237T3901 M237.1T65 237.100006103516 237.100006103516 237.100006103516 65.0126154257348 65.0126154257348 65.0126154257348 1 0 1 4810 2.38417704544828 0.805962051180372 0.564083926634963
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535 M237T3885 M237.2T64.7 237.199996948242 237.199996948242 237.199996948242 64.7438197407878 64.7438197407878 64.7438197407878 1 1 0 2226 Inf -1 0.5
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536 M237T3504 M237.2T58.4 237.199996948242 237.199996948242 237.199996948242 58.403743769366 58.403743769366 58.403743769366 1 0 1 3366 Inf 1 0.5
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537 M237T3484 M237.2T58.1 237.199996948242 237.199996948242 237.199996948242 58.0691763348732 58.0691763348732 58.0691763348732 1 0 1 1776 Inf 1 0.5
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538 M237T3756 M237.2T62.6 237.199996948242 237.199996948242 237.199996948242 62.5957546278818 62.5957546278818 62.5957546278818 1 1 0 968 Inf -5.68006525014246 0.110942753444266
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540 M237T2970 M237.2T49.5 237.199996948242 237.199996948242 237.199996948242 49.5073675390021 49.5073675390021 49.5073675390021 1 1 0 3246 Inf -1 0.5
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541 M237T3820 M237.2T63.7 237.199996948242 237.199996948242 237.199996948242 63.6680556266083 63.6680556266083 63.6680556266083 1 1 0 [M-H-CO]- 266.206 1851 1.27912711039961 0.278002127101848 0.826810303906611
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542 M237T3858 M237.3T64.3 237.300003051758 237.300003051758 237.300003051758 64.305920131771 64.305920131771 64.305920131771 1 0 1 1352 Inf 1 0.5
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543 M237T3930 M237.3T65.5 237.300003051758 237.300003051758 237.300003051758 65.5021306501436 65.5021306501436 65.5021306501436 1 0 1 2975 5.82054205790392 0.816235858797242 0.55794908009077
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544 M238T3689 M237.8T61.5 237.800003051758 237.800003051758 237.800003051758 61.4855445596624 61.4855445596624 61.4855445596624 1 1 0 579 Inf -1 0.5
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545 M238T3065 M237.8T51.1 237.800003051758 237.800003051758 237.800003051758 51.0763258131161 51.0763258131161 51.0763258131161 1 0 1 48 Inf 1.32991859019607 0.410449415331469
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546 M238T4110 M237.8T68.5 237.800003051758 237.800003051758 237.800003051758 68.4974193491718 68.4974193491718 68.4974193491718 1 0 1 2285 Inf 1 0.5
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547 M238T2525 M237.9T42.1 237.900009155273 237.900009155273 237.900009155273 42.0792111378167 42.0792111378167 42.0792111378167 1 0 1 5044 2.30677540777917 0.519757479954033 0.675005090863096
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548 M238T3682 M237.9T61.4 237.900009155273 237.900009155273 237.900009155273 61.3634922984121 61.3634922984121 61.3634922984121 1 1 0 572 23.2274180368111 -1.73024090438596 0.331383366727477
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549 M238T2969 M237.9T49.5 237.900009155273 237.900009155273 237.900009155273 49.4788356124602 49.4788356124602 49.4788356124602 1 0 1 3247 Inf 1 0.5
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550 M238T2815 M237.9T46.9 237.900009155273 237.900009155273 237.900009155273 46.9199060335963 46.9199060335963 46.9199060335963 1 0 1 73 3.49109098387079 0.685969478490678 0.6036984016431
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551 M238T2754 M237.9T45.9 237.900009155273 237.900009155273 237.900009155273 45.895282188748 45.895282188748 45.895282188748 1 1 0 4346 Inf -1.52029675114014 0.370395243704404
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552 M238T4121 M238T68.7 238 238 238 68.6768514208518 68.6768514208518 68.6768514208518 1 1 0 1707 1.21951442446877 -0.139189463727605 0.90248258469494
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553 M238T3957 M238T66 238 238 238 65.9569495268011 65.9569495268011 65.9569495268011 1 1 0 168 1.59224015535982 -0.357629122022904 0.774643234220247
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554 M238T3917 M238.1T65.3 238.100006103516 238.100006103516 238.100006103516 65.2811664369697 65.2811664369697 65.2811664369697 1 1 0 152 2.69848535795296 -0.590199488973575 0.642697545473888
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555 M238T3125 M238.2T52.1 238.199996948242 238.199996948242 238.199996948242 52.091213836164 52.091213836164 52.091213836164 1 1 0 5076 1.00643196648162 0.00642745931831589 0.995905995594069
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556 M238T2848 M238.2T47.5 238.199996948242 238.199996948242 238.199996948242 47.4675587098144 47.4675587098144 47.4675587098144 1 1 0 190 Inf -1 0.5
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557 M238T3268 M238.2T54.5 238.199996948242 238.199996948242 238.199996948242 54.4607175420238 54.4607175420238 54.4607175420238 1 0 1 5468 2.6351264796042 0.824859780064385 0.540877888861228
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558 M238T2755 M238.2T45.9 238.199996948242 238.199996948242 238.199996948242 45.9108043388673 45.9108043388673 45.9108043388673 1 0 1 4595 Inf 1 0.5
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559 M238T3132 M238.3T52.2 238.300003051758 238.300003051758 238.300003051758 52.2018206940751 52.2018206940751 52.2018206940751 1 0 1 4989 2.88620126235956 0.617509350773691 0.631025591311926
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560 M238T3283 M238.3T54.7 238.300003051758 238.300003051758 238.300003051758 54.7140030166286 54.7140030166286 54.7140030166286 1 0 1 1234 Inf 1 0.5
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561 M239T3728 M238.9T62.1 238.900009155273 238.900009155273 238.900009155273 62.1322943738121 62.1322943738121 62.1322943738121 1 0 1 3536 Inf 1 0.5
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562 M239T4175 M238.9T69.6 238.900009155273 238.900009155273 238.900009155273 69.5904079700352 69.5904079700352 69.5904079700352 1 1 0 4379 1.65255291078844 -0.337836924978574 0.773599330987196
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563 M239T3709 M239T61.8 239 239 239 61.8202089154605 61.8202089154605 61.8202089154605 1 1 0 [M-2H]2- 480.025 17 2.65385723397679 -1.03208014277446 0.462277251760311
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564 M239T3129 M239T52.1 239 239 239 52.1495346245211 52.1495346245211 52.1495346245211 1 1 0 5315 1.51714256901453 -0.284603387352268 0.806316265529768
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565 M239T4130 M239T68.8 239 239 239 68.8389740321595 68.8389740321595 68.8389740321595 1 0 1 1473 1.53185753831346 -0.290732930378352 0.802470390133809
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566 M239T4088 M239.1T68.1 239.100006103516 239.100006103516 239.100006103516 68.1355547524283 68.1355547524283 68.1355547524283 1 0 1 4969 9.98899603087779 2.98391641159233 0.164896974968302
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567 M239T3909 M239.2T65.2 239.199996948242 239.199996948242 239.199996948242 65.1515581377176 65.1515581377176 65.1515581377176 1 1 0 4792 1.72486835917853 -0.363564309882631 0.758370858621802
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568 M239T3072 M239.2T51.2 239.199996948242 239.199996948242 239.199996948242 51.2062793494461 51.2062793494461 51.2062793494461 1 0 1 2419 Inf 1 0.5
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569 M239T3772 M239.2T62.9 239.199996948242 239.199996948242 239.199996948242 62.8688643545041 62.8688643545041 62.8688643545041 1 0 1 13 Inf 1.32321727547105 0.411995261228877
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570 M239T3964 M239.2T66.1 239.199996948242 239.199996948242 239.199996948242 66.061609161496 66.061609161496 66.061609161496 1 1 0 2002 Inf -1 0.5
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571 M239T3315 M239.2T55.2 239.199996948242 239.199996948242 239.199996948242 55.2480367227086 55.2480367227086 55.2480367227086 1 0 1 [M-H-C5H4]- 304.233 [M-H-CH6O3]- 306.233 [M-H-C2F4]- 340.206 4 1.02943955368153 0.0235823946275283 0.983477695025635
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572 M239T4006 M239.4T66.8 239.400009155273 239.400009155273 239.400009155273 66.7626125220595 66.7626125220595 66.7626125220595 1 0 1 276 Inf 1 0.5
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573 M240T4057 M239.9T67.6 239.900009155273 239.900009155273 239.900009155273 67.6115908573993 67.5529777011169 67.6702040136817 2 1 1 3406 1.1755350261642 0.113737482867202 0.920069999215724
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574 M240T3290 M239.9T54.8 239.900009155273 239.900009155273 239.900009155273 54.8282134948367 54.8282134948367 54.8282134948367 1 0 1 2103 Inf 1 0.5
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575 M240T3120 M239.9T52 239.900009155273 239.900009155273 239.900009155273 51.9925690585743 51.9925690585743 51.9925690585743 1 1 0 146 Inf -1 0.5
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576 M240T2776 M239.9T46.3 239.900009155273 239.900009155273 239.900009155273 46.2691107899245 46.2691107899245 46.2691107899245 1 0 1 5119 Inf 1 0.5
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577 M240T3086 M239.9T51.4 239.900009155273 239.900009155273 239.900009155273 51.4407640108581 51.4407640108581 51.4407640108581 1 1 0 3518 Inf -1.68368510889575 0.341195233505549
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578 M240T3531 M239.9T58.8 239.900009155273 239.900009155273 239.900009155273 58.8468372471634 58.8468372471634 58.8468372471634 1 1 0 1930 2.07129091325014 1.04464910758669 0.472919711156053
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579 M240T3650 M240T60.8 240 240 240 60.8271996623736 60.8271996623736 60.8271996623736 1 0 1 1529 Inf 1 0.5
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580 M240T3972 M240T66.2 240 240 240 66.1924745778391 66.1924745778391 66.1924745778391 1 1 0 2003 4.67767474221039 -3.63513935516251 0.162012084994249
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581 M240T3007 M240.2T50.1 240.199996948242 240.199996948242 240.199996948242 50.1111109006806 50.1111109006806 50.1111109006806 2 1 0 4087 5.97492487399214 -1.13566736226398 0.457579460193538
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582 M240T3129 M240.2T52.1 240.199996948242 240.199996948242 240.199996948242 52.1495346245211 52.1495346245211 52.1495346245211 1 1 0 5316 4.71500241964134 -0.770766502820253 0.573153834024293
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583 M240T3543 M240.2T59.1 240.199996948242 240.199996948242 240.199996948242 59.0548527605618 59.0548527605618 59.0548527605618 1 0 1 2332 2.42794398781086 0.686006407779957 0.580725293480779
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584 M240T4144 M240.3T69.1 240.300003051758 240.300003051758 240.300003051758 69.0684895681805 69.0684895681805 69.0684895681805 1 1 0 5827 Inf -1 0.5
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585 M240T3973 M240.3T66.2 240.300003051758 240.300003051758 240.300003051758 66.2117613855736 66.2117613855736 66.2117613855736 1 0 1 36 Inf 2.51183363664244 0.241202999823669
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586 M241T3320 M240.9T55.3 240.900009155273 240.900009155273 240.900009155273 55.3289173675151 55.3289173675151 55.3289173675151 1 1 0 1137 1.72214227350384 0.680721519166562 0.60022346690745
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587 M241T3530 M240.9T58.8 240.900009155273 240.900009155273 240.900009155273 58.8310613642101 58.8310613642101 58.8310613642101 1 0 1 1940 1.44191029751345 0.25183834153253 0.827196806556934
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588 M241T3508 M241T58.5 241 241 241 58.4708890380632 58.4708890380632 58.4708890380632 1 0 1 4514 1.00634969739529 -0.00447568198831882 0.996835245181446
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589 M241T3624 M241T60.4 241 241 241 60.4056778390177 60.4056778390177 60.4056778390177 1 0 1 1603 Inf 1 0.5
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590 M241T2577 M241T42.9 241 241 241 42.9423714460137 42.9423714460137 42.9423714460137 1 1 0 4073 Inf -1.44084647544041 0.386245091694579
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591 M241T3965 M241T66.1 241 241 241 66.0840899280263 66.0840899280263 66.0840899280263 1 0 1 [2][M]- 1985 1.28040191956956 -0.172594115310607 0.879675644650831
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592 M241T3640 M241T60.7 241 241 241 60.660536276468 60.660536276468 60.660536276468 1 1 0 59 1.13273176667613 -0.116018002917985 0.925908675209651
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593 M241T4038 M241T67.3 241 241 241 67.3077590567051 67.3077590567051 67.3077590567051 1 0 1 3754 2.61527096004319 0.576895650195485 0.648552612562417
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594 M241T3668 M241.1T61.1 241.100006103516 241.100006103516 241.100006103516 61.1400389252778 61.1400389252778 61.2256705374983 3 0 2 [M-H-C2H2]- 268.113 2 1.51943991543962 2.51993628519348 0.238706948232025
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595 M241T3990 M241.1T66.5 241.100006103516 241.100006103516 241.100006103516 66.4951339415901 66.489405004446 66.5008628787343 2 1 1 4466 1.67424341615992 0.796879684423879 0.512439951589719
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596 M241T2889 M241.2T48.2 241.199996948242 241.199996948242 241.199996948242 48.1569973545779 48.1569973545779 48.1569973545779 1 1 0 95 Inf -1 0.5
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597 M241T4058 M241.2T67.6 241.199996948242 241.199996948242 241.199996948242 67.6306782148255 67.6306782148255 67.6306782148255 1 0 1 129 3.19871840385794 0.852957698226903 0.530854605284957
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598 M241T3674 M241.2T61.2 241.199996948242 241.199996948242 241.199996948242 61.238653379219 61.238653379219 61.238653379219 1 1 0 3685 4.42368784981239 -3.06431104360045 0.1434815610871
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599 M241T3118 M241.2T52 241.199996948242 241.199996948242 241.199996948242 51.96636129698 51.96636129698 51.96636129698 1 1 0 5038 2.01594150562716 -1.00783507757924 0.493308016589306
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600 M241T2835 M241.2T47.2 241.199996948242 241.199996948242 241.199996948242 47.2454719358862 47.2454719358862 47.2454719358862 1 1 0 4573 6.71426466059267 -5.41229475689516 0.0837328760653957
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601 M241T2914 M241.2T48.6 241.199996948242 241.199996948242 241.199996948242 48.5738329707945 48.5738329707945 48.5738329707945 1 1 0 56 Inf -2.3459033548091 0.256526004228865
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602 M241T2958 M241.2T49.3 241.199996948242 241.199996948242 241.199996948242 49.2918295342363 49.2918295342363 49.2918295342363 1 0 1 3248 Inf 3.98819655584494 0.156401509706144
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603 M242T3325 M241.8T55.4 241.800003051758 241.800003051758 241.800003051758 55.4106049008071 55.4106049008071 55.4106049008071 1 0 1 1090 Inf 1 0.5
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604 M242T2895 M241.8T48.3 241.800003051758 241.800003051758 241.800003051758 48.2560271321891 48.2560271321891 48.2560271321891 1 0 1 3825 Inf 1 0.5
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605 M242T4108 M241.9T68.5 241.900009155273 241.900009155273 241.900009155273 68.4650466102311 68.4650466102311 68.4650466102311 1 1 0 2286 2.74035469568587 -0.596601895530898 0.639919691496173
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606 M242T3122 M241.9T52 241.900009155273 241.900009155273 241.900009155273 52.0322931488955 52.0322931488955 52.0322931488955 1 0 1 5077 Inf 1 0.5
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607 M242T3973 M241.9T66.2 241.900009155273 241.900009155273 241.900009155273 66.2186471064123 66.2186471064123 66.2186471064123 1 1 0 2004 Inf -1.93257717995604 0.303989145086742
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608 M242T3162 M241.9T52.7 241.900009155273 241.900009155273 241.900009155273 52.6932125434609 52.6932125434609 52.6932125434609 1 1 0 823 2.30364595340151 -0.519105534228745 0.675319361682768
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609 M242T4088 M242T68.1 242 242 242 68.1355547524283 68.1355547524283 68.1355547524283 1 0 1 4970 1.43669699740578 0.301695183446908 0.812326407817147
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610 M242T3979 M242T66.3 242 242 242 66.3168913366957 66.3168913366957 66.3168913366957 1 0 1 [2][M+1]- 2072 5.52617704958387 1.01596271283767 0.494886774479563
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611 M242T3675 M242.1T61.2 242.100006103516 242.100006103516 242.100006103516 61.2477377672169 61.1661317117745 61.3293438226592 2 1 1 89 1.12835629134424 1.52140470447005 0.296271905421193
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612 M242T3662 M242.2T61 242.199996948242 242.199996948242 242.199996948242 61.0271622692588 60.9310993232382 61.1232252152794 2 1 1 [3][M]- 2 1.17339562815456 -0.252287392042501 0.839007080791933
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613 M242T2802 M242.2T46.7 242.199996948242 242.199996948242 242.199996948242 46.6963068987933 46.6963068987933 46.6963068987933 1 1 0 5178 1.4673735047896 0.428362571756407 0.726106591348869
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614 M242T3509 M242.3T58.5 242.300003051758 242.300003051758 242.300003051758 58.4812530426443 58.4812530426443 58.4812530426443 1 0 1 4515 2.87560581969813 0.645333693270413 0.631520336876636
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615 M242T3296 M242.3T54.9 242.300003051758 242.300003051758 242.300003051758 54.9331519056266 54.9331519056266 54.9331519056266 1 0 1 2593 Inf 1 0.5
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616 M242T2679 M242.3T44.6 242.300003051758 242.300003051758 242.300003051758 44.6483732850281 44.6483732850281 44.6483732850281 1 1 0 636 Inf -1 0.5
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617 M243T3923 M242.8T65.4 242.800003051758 242.800003051758 242.800003051758 65.3784490660821 65.3784490660821 65.3784490660821 1 0 1 2954 3.07450161835157 0.641656265312369 0.621081931019215
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625 M243T3286 M243.2T54.8 243.199996948242 243.199996948242 243.199996948242 54.7710736069409 54.7710736069409 54.7710736069409 1 1 0 3799 1.60178775679312 -0.405204865896107 0.752480801024395
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626 M243T3514 M243.3T58.6 243.300003051758 243.300003051758 243.300003051758 58.5589963539193 58.5589963539193 58.5589963539193 1 0 1 4516 4.58124735210449 0.763735819380202 0.575568910538096
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627 M243T3464 M243.3T57.7 243.300003051758 243.300003051758 243.300003051758 57.7310778299006 57.7310778299006 57.7310778299006 1 0 1 1253 1.34720722678703 -0.325507669731407 0.790238272365134
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628 M243T3897 M243.4T65 243.400009155273 243.400009155273 243.400009155273 64.9501855198995 64.9501855198995 64.9501855198995 1 0 1 204 Inf 1 0.5
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629 M244T3271 M243.8T54.5 243.800003051758 243.800003051758 243.800003051758 54.5112362578393 54.5112362578393 54.5112362578393 1 1 0 5469 Inf -1 0.5
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630 M244T2672 M243.9T44.5 243.900009155273 243.900009155273 243.900009155273 44.5290207377522 44.5290207377522 44.5290207377522 1 0 1 4036 3.19976804901119 0.656179130938695 0.615264958016491
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632 M244T3440 M244T57.3 244 244 244 57.3391168075458 57.3391168075458 57.3391168075458 1 0 1 2916 3.03997309867129 0.909382963953239 0.51974162878122
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636 M244T3131 M244.2T52.2 244.199996948242 244.199996948242 244.199996948242 52.1903188028485 52.1903188028485 52.1903188028485 1 0 1 4990 Inf 1 0.5
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637 M244T2796 M244.2T46.6 244.199996948242 244.199996948242 244.199996948242 46.6005634878822 46.6005634878822 46.6005634878822 1 1 0 3937 1.08855058768811 0.0599061560408398 0.957712440186138
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639 M244T3683 M244.3T61.4 244.300003051758 244.300003051758 244.300003051758 61.3832602376645 61.3832602376645 61.3832602376645 1 0 1 580 2.92977988809539 0.623366135667327 0.628581921153081
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641 M245T3296 M244.8T54.9 244.800003051758 244.800003051758 244.800003051758 54.9296169402431 54.9296169402431 54.9296169402431 1 1 0 2598 Inf -1 0.5
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642 M245T3637 M244.8T60.6 244.800003051758 244.800003051758 244.800003051758 60.6185235535167 60.6185235535167 60.6185235535167 1 0 1 2850 Inf 1 0.5
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643 M245T3969 M244.8T66.1 244.800003051758 244.800003051758 244.800003051758 66.1451987706191 66.1451987706191 66.1451987706191 1 1 0 2006 Inf -1 0.5
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647 M245T2752 M244.9T45.9 244.900009155273 244.900009155273 244.900009155273 45.8595062860174 45.8595062860174 45.8595062860174 1 0 1 4347 3.01758076535178 0.634666704585035 0.623924806282924
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649 M245T3703 M244.9T61.7 244.900009155273 244.900009155273 244.900009155273 61.7133387493561 61.7133387493561 61.7133387493561 1 0 1 1170 3.00577636223226 0.633184821239237 0.624531205767711
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651 M245T4124 M245.1T68.7 245.100006103516 245.100006103516 245.100006103516 68.7299484690851 68.7299484690851 68.7299484690851 1 0 1 1708 1.22044883669594 0.308950265015905 0.789576476365142
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653 M245T3294 M245.2T54.9 245.199996948242 245.199996948242 245.199996948242 54.9032275137848 54.9032275137848 54.9032275137848 1 1 0 5980 4.83148265430392 -0.77656499556516 0.571175922924396
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654 M245T3792 M245.2T63.2 245.199996948242 245.199996948242 245.199996948242 63.1954378138675 63.1954378138675 63.1954378138675 1 1 0 207 Inf -2.20317409636705 0.271253901839447
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655 M245T3073 M245.3T51.2 245.300003051758 245.300003051758 245.300003051758 51.2135936215813 51.2135936215813 51.2135936215813 1 0 1 48 3.8158748646359 1.68286025715843 0.244427605025779
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656 M245T4083 M245.3T68 245.300003051758 245.300003051758 245.300003051758 68.0455007852475 68.0455007852475 68.0455007852475 1 1 0 5715 Inf -1 0.5
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657 M245T4012 M245.3T66.9 245.300003051758 245.300003051758 245.300003051758 66.8598318633081 66.8598318633081 66.8598318633081 1 1 0 5207 Inf -1 0.5
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660 M246T3540 M245.8T59 245.800003051758 245.800003051758 245.800003051758 59.0024969802978 59.0024969802978 59.0024969802978 1 0 1 1934 Inf 1 0.5
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661 M246T2944 M245.8T49.1 245.800003051758 245.800003051758 245.800003051758 49.0610404088419 49.0610404088419 49.0610404088419 1 0 1 2802 4.92954218760098 0.781229043649206 0.56959381764518
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662 M246T3943 M245.8T65.7 245.800003051758 245.800003051758 245.800003051758 65.7123885813693 65.7123885813693 65.7123885813693 1 0 1 4138 3.83629986985741 0.715425805192712 0.592714719563954
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663 M246T3396 M245.8T56.6 245.800003051758 245.800003051758 245.800003051758 56.6009374048934 56.6009374048934 56.6009374048934 1 0 1 462 2.50196248056631 0.557437613354886 0.65732064864038
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664 M246T3696 M245.9T61.6 245.900009155273 245.900009155273 245.900009155273 61.603458410722 61.5144663077954 61.6924505136486 2 1 1 175 1.30267638374486 0.18430657137773 0.871764675913581
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668 M246T3936 M246T65.6 246 246 246 65.5923732990028 65.5923732990028 65.5923732990028 1 1 0 107 Inf -1 0.5
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669 M246T3954 M246T65.9 246 246 246 65.8963773881948 65.8963773881948 65.8963773881948 1 0 1 5451 Inf 1 0.5
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670 M246T4119 M246.1T68.6 246.100006103516 246.100006103516 246.100006103516 68.6486319434924 68.6486319434924 68.6486319434924 1 1 0 4547 Inf -1 0.5
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671 M246T3570 M246.2T59.5 246.199996948242 246.199996948242 246.199996948242 59.4934609578434 59.4357194890303 59.5512024266566 2 1 1 1649 2.02575107296143 -0.45404698629855 0.70811375315645
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673 M246T4029 M246.2T67.2 246.199996948242 246.199996948242 246.199996948242 67.1578021419723 67.1578021419723 67.1578021419723 1 0 1 3755 4.96550889984262 0.936730213618083 0.507181856137328
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675 M246T3650 M246.3T60.8 246.300003051758 246.300003051758 246.300003051758 60.8271996623736 60.8271996623736 60.8271996623736 1 0 1 1530 Inf 2.57206623846416 0.236063410600114
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677 M246T3731 M246.3T62.2 246.300003051758 246.300003051758 246.300003051758 62.1884253528936 62.1884253528936 62.1884253528936 1 1 0 3537 1.60888164063205 0.483090597432041 0.679535730123327
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683 M247T3950 M246.8T65.8 246.800003051758 246.800003051758 246.800003051758 65.8264680601792 65.8264680601792 65.8264680601792 1 1 0 3727 Inf -1 0.5
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689 M247T3612 M246.9T60.2 246.900009155273 246.900009155273 246.900009155273 60.1930182936578 60.1930182936578 60.1930182936578 1 0 1 2574 Inf 1 0.5
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690 M247T3374 M246.9T56.2 246.900009155273 246.900009155273 246.900009155273 56.2294767463462 56.2294767463462 56.2294767463462 1 0 1 25 1.1356527036982 0.108548329779828 0.924153752578159
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693 M247T3429 M247.2T57.2 247.199996948242 247.199996948242 247.199996948242 57.1549537200174 57.1549537200174 57.1549537200174 1 0 1 5254 Inf 1 0.5
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694 M247T3205 M247.2T53.4 247.199996948242 247.199996948242 247.199996948242 53.4157706780341 53.4157706780341 53.4157706780341 1 0 1 4296 1.6574341223856 0.425250636105553 0.713008518558318
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697 M247T3786 M247.3T63.1 247.300003051758 247.300003051758 247.300003051758 63.0977734762766 62.9987708577644 63.1967760947888 2 1 1 3665 1.45644453894154 -0.258359883941939 0.822998755529768
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698 M247T3324 M247.3T55.4 247.300003051758 247.300003051758 247.300003051758 55.4077270931757 55.4077270931757 55.4077270931757 1 1 0 1091 1.28372688237968 -0.212413813050141 0.851721395285843
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699 M247T3401 M247.3T56.7 247.300003051758 247.300003051758 247.300003051758 56.6765408961091 56.6765408961091 56.6765408961091 1 1 0 1308 Inf -1 0.5
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700 M247T3354 M247.3T55.9 247.300003051758 247.300003051758 247.300003051758 55.903905741559 55.903905741559 55.903905741559 1 1 0 716 Inf -1 0.5
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701 M248T3674 M247.8T61.2 247.800003051758 247.800003051758 247.800003051758 61.2258879033719 61.2258879033719 61.2258879033719 1 1 0 3686 Inf -1 0.5
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702 M248T3752 M247.8T62.5 247.800003051758 247.800003051758 247.800003051758 62.5312392052914 62.5312392052914 62.5312392052914 1 0 1 1017 Inf 1 0.5
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703 M248T3844 M247.8T64.1 247.800003051758 247.800003051758 247.800003051758 64.0697662886801 64.0697662886801 64.0697662886801 1 0 1 1353 Inf 1 0.5
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704 M248T3423 M247.8T57.1 247.800003051758 247.800003051758 247.800003051758 57.057103190847 57.057103190847 57.057103190847 1 0 1 860 Inf 1 0.5
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705 M248T2853 M247.9T47.6 247.900009155273 247.900009155273 247.900009155273 47.5559822779906 47.5559822779906 47.5559822779906 1 1 0 111 1.86818871677143 -0.409717698239145 0.732075284157689
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706 M248T2894 M247.9T48.2 247.900009155273 247.900009155273 247.900009155273 48.2362203528952 48.2362203528952 48.2362203528952 1 1 0 95 Inf -4.5780938298469 0.136907465920912
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707 M248T4013 M247.9T66.9 247.900009155273 247.900009155273 247.900009155273 66.8862753666818 66.8862753666818 66.8862753666818 1 1 0 5208 Inf -1.43950589131412 0.386522714532701
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708 M248T3279 M247.9T54.6 247.900009155273 247.900009155273 247.900009155273 54.6443499441026 54.6443499441026 54.6443499441026 1 0 1 18 2.90592587371126 1.05774359198 0.482137067071135
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709 M248T2591 M247.9T43.2 247.900009155273 247.900009155273 247.900009155273 43.1771047793471 43.1771047793471 43.1771047793471 1 1 0 2884 2.81946654668023 -0.608201264475941 0.634952076686519
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710 M248T3961 M248T66 248 248 248 66.0092618412701 66.0092618412701 66.0092618412701 1 1 0 6212 Inf -1.78105032396408 0.325697210861561
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713 M248T3491 M248.2T58.2 248.199996948242 248.199996948242 248.199996948242 58.190051948004 58.190051948004 58.190051948004 1 0 1 1777 14.6786563010481 1.38404889596305 0.39492205810092
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714 M248T3822 M248.2T63.7 248.199996948242 248.199996948242 248.199996948242 63.6942170087623 63.6942170087623 63.6942170087623 1 1 0 1872 3.19631582742017 -0.655793898748824 0.615417714152992
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715 M248T3230 M248.2T53.8 248.199996948242 248.199996948242 248.199996948242 53.8329882976873 53.8329882976873 53.8329882976873 1 0 1 2696 Inf 1 0.5
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716 M248T4205 M248.2T70.1 248.199996948242 248.199996948242 248.199996948242 70.0751651438567 70.0751651438567 70.0751651438567 1 0 1 4923 Inf 1 0.5
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717 M248T4055 M248.2T67.6 248.199996948242 248.199996948242 248.199996948242 67.57911300379 67.57911300379 67.57911300379 1 1 0 [M-H-H2]- 251.211 77 3.05519433582333 -0.960352649937124 0.508536882551795
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718 M248T2914 M248.2T48.6 248.199996948242 248.199996948242 248.199996948242 48.5723928410368 48.5723928410368 48.5723928410368 1 0 1 2765 Inf 1 0.5
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719 M248T3678 M248.3T61.3 248.300003051758 248.300003051758 248.300003051758 61.2960210515393 61.2960210515393 61.2960210515393 1 0 1 3687 Inf 1 0.5
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720 M248T3592 M248.3T59.9 248.300003051758 248.300003051758 248.300003051758 59.8622372037185 59.8622372037185 59.8622372037185 1 1 0 1689 Inf -1 0.5
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721 M248T3396 M248.3T56.6 248.300003051758 248.300003051758 248.300003051758 56.5931346336967 56.5931346336967 56.5931346336967 1 0 1 468 Inf 1 0.5
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722 M249T4140 M248.8T69 248.800003051758 248.800003051758 248.800003051758 68.9966467944574 68.9966467944574 68.9966467944574 1 0 1 4207 10.5768640517549 1.21305892573361 0.434009861853022
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725 M249T3645 M249.1T60.8 249.100006103516 249.100006103516 249.100006103516 60.7515543068444 60.7515543068444 60.7515543068444 1 1 0 1523 1.01764529265577 0.018506831592605 0.987880322184389
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726 M249T3984 M249.1T66.4 249.100006103516 249.100006103516 249.100006103516 66.3957372689248 66.3957372689248 66.3957372689248 1 0 1 118 1.73725371937017 0.69732651134653 0.558369762312334
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727 M249T3661 M249.2T61 249.199996948242 249.199996948242 249.199996948242 61.0095676641139 61.0095676641139 61.0095676641139 1 1 0 2 1.28298748121427 -0.237864913641588 0.838531969933169
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729 M249T3054 M249.2T50.9 249.199996948242 249.199996948242 249.199996948242 50.8947123968248 50.8947123968248 50.8947123968248 1 0 1 3483 Inf 1.40579318609358 0.393620527657284
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731 M249T3989 M249.2T66.5 249.199996948242 249.199996948242 249.199996948242 66.4803432912278 66.4803432912278 66.4803432912278 1 1 0 4485 5.36163881132958 -0.799699575632092 0.56340160008097
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732 M249T4077 M249.3T68 249.300003051758 249.300003051758 249.300003051758 67.9546512267475 67.9546512267475 67.9546512267475 1 0 1 3866 3.3876898851022 0.67597795109478 0.607524492690311
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735 M250T3506 M249.9T58.4 249.900009155273 249.900009155273 249.900009155273 58.4295523368889 58.4295523368889 58.4295523368889 1 0 1 3367 12.8134971595945 0.919162387934701 0.525312421178494
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736 M250T3731 M249.9T62.2 249.900009155273 249.900009155273 249.900009155273 62.1848474490816 62.1848474490816 62.1848474490816 1 0 1 3548 Inf 1 0.5
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737 M250T2992 M249.9T49.9 249.900009155273 249.900009155273 249.900009155273 49.8723761766172 49.8723761766172 49.8723761766172 1 1 0 1831 Inf -1 0.5
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738 M250T3387 M249.9T56.4 249.900009155273 249.900009155273 249.900009155273 56.4440981603401 56.4440981603401 56.4440981603401 1 1 0 469 1.03521275100409 -0.0244647141196262 0.982705776851634
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741 M250T2812 M249.9T46.9 249.900009155273 249.900009155273 249.900009155273 46.8698722049404 46.8698722049404 46.8698722049404 1 0 1 3290 4.7758615189599 0.773832238694042 0.572106549720452
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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743 M250T4187 M250T69.8 250 250 250 69.7759636871153 69.7759636871153 69.7759636871153 1 1 0 6059 Inf -1 0.5
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744 M250T3664 M250.1T61.1 250.100006103516 250.100006103516 250.100006103516 61.0677260191083 60.8531002806979 61.1744674403 6 2 2 2 1.12851960854482 -0.382509601412208 0.75374939038768
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749 M250T4045 M250.3T67.4 250.300003051758 250.300003051758 250.300003051758 67.4222089875073 67.4222089875073 67.4222089875073 1 1 0 4105 Inf -1 0.5
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750 M250T3792 M250.3T63.2 250.300003051758 250.300003051758 250.300003051758 63.1954378138675 63.1954378138675 63.1954378138675 1 1 0 5766 Inf -1 0.5
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751 M250T3994 M250.3T66.6 250.300003051758 250.300003051758 250.300003051758 66.5688165444256 66.5688165444256 66.5688165444256 1 1 0 118 Inf -1 0.5
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752 M250T2995 M250.3T49.9 250.300003051758 250.300003051758 250.300003051758 49.9245463702824 49.9245463702824 49.9245463702824 1 1 0 1832 Inf -1 0.5
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753 M250T3997 M250.4T66.6 250.400009155273 250.400009155273 250.400009155273 66.6111897990507 66.6111897990507 66.6111897990507 1 1 0 172 1.16840166124985 -0.109500445084965 0.923012942747744
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754 M251T4072 M250.8T67.9 250.800003051758 250.800003051758 250.800003051758 67.8667442815185 67.8667442815185 67.8667442815185 1 1 0 3867 Inf -1 0.5
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755 M251T3073 M250.9T51.2 250.900009155273 250.900009155273 250.900009155273 51.2155748197634 51.2155748197634 51.2155748197634 1 1 0 2421 1.91388632489602 -0.423215235322766 0.724642627483531
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756 M251T3053 M250.9T50.9 250.900009155273 250.900009155273 250.900009155273 50.8822063065962 50.8822063065962 50.8822063065962 1 1 0 3485 6.7930049823653 -0.843696923942253 0.549057577623288
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757 M251T4136 M250.9T68.9 250.900009155273 250.900009155273 250.900009155273 68.9374216510452 68.9374216510452 68.9374216510452 1 1 0 99 7.2510302361885 -0.85400541093293 0.54576451787819
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758 M251T3842 M250.9T64 250.900009155273 250.900009155273 250.900009155273 64.0342390219633 64.0342390219633 64.0342390219633 1 1 0 1354 1.87949835953127 -0.413109757170667 0.730196237844041
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759 M251T2679 M250.9T44.7 250.900009155273 250.900009155273 250.900009155273 44.6537981733315 44.6537981733315 44.6537981733315 1 0 1 637 Inf 1 0.5
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760 M251T3201 M250.9T53.4 250.900009155273 250.900009155273 250.900009155273 53.3512682265816 53.3512682265816 53.3512682265816 1 1 0 1748 Inf -1 0.5
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761 M251T3771 M250.9T62.8 250.900009155273 250.900009155273 250.900009155273 62.8438897792109 62.8438897792109 62.8438897792109 1 0 1 969 6.1278073892778 0.825884624344247 0.554803386165918
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762 M251T3181 M250.9T53 250.900009155273 250.900009155273 250.900009155273 53.0236247448201 53.0236247448201 53.0236247448201 1 1 0 40 Inf -1 0.5
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763 M251T3566 M250.9T59.4 250.900009155273 250.900009155273 250.900009155273 59.4305471949041 59.4305471949041 59.4305471949041 1 0 1 1650 2.39106021544599 0.536726197799571 0.666924900777958
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764 M251T3866 M251.1T64.4 251.100006103516 251.100006103516 251.100006103516 64.4279173196712 64.4279173196712 64.4279173196712 1 1 0 21 1.28390548703869 -0.444757807423721 0.715586387005361
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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765 M251T3878 M251.2T64.6 251.199996948242 251.199996948242 251.199996948242 64.6389791710731 64.6202857662103 64.657672575936 2 1 1 [2M-H+Cl]2- 234.225 55 1.74482209953987 0.487431830514214 0.687512189465384
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1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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767 M251T4141 M251.2T69 251.199996948242 251.199996948242 251.199996948242 69.0162711786498 69.0162711786498 69.0162711786498 1 1 0 4208 2.70848985227464 -0.591746510300813 0.642023970501597
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768 M251T4107 M251.2T68.4 251.199996948242 251.199996948242 251.199996948242 68.441734370408 68.441734370408 68.441734370408 1 1 0 2287 4.61693653450608 -0.765652509160137 0.574908650996739
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769 M251T3897 M251.3T65 251.300003051758 251.300003051758 251.300003051758 64.9548278510015 64.9548278510015 64.9548278510015 1 1 0 5751 Inf -3.25314724123603 0.189857191061026
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770 M252T3732 M251.8T62.2 251.800003051758 251.800003051758 251.800003051758 62.206314950523 62.206314950523 62.206314950523 1 1 0 3549 Inf -1 0.5
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771 M252T3322 M251.8T55.4 251.800003051758 251.800003051758 251.800003051758 55.3591588750604 55.3591588750604 55.3591588750604 1 0 1 1138 3.8304211554405 0.714968817784795 0.59288187765624
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772 M252T2853 M251.9T47.5 251.900009155273 251.900009155273 251.900009155273 47.5489358328775 47.5489358328775 47.5489358328775 1 0 1 111 1.51236444492143 0.282593955078663 0.807581309288418
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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773 M252T3945 M251.9T65.7 251.900009155273 251.900009155273 251.900009155273 65.7442474986021 65.7442474986021 65.7442474986021 1 0 1 3729 2.06137117406988 0.543456948236689 0.6517842802091
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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774 M252T2553 M251.9T42.5 251.900009155273 251.900009155273 251.900009155273 42.5462495766058 42.5462495766058 42.5462495766058 1 1 0 3066 Inf -1.44676227727074 0.385024136694625
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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775 M252T2632 M251.9T43.9 251.900009155273 251.900009155273 251.900009155273 43.8693976674685 43.8693976674685 43.8693976674685 1 0 1 2629 1.52621746123575 -0.288393984736039 0.803935599610814
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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776 M252T3692 M252T61.5 252 252 252 61.5398770366194 61.5398770366194 61.5398770366194 1 1 0 5 2.99769544947217 -0.866360442559784 0.534756622538572
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777 M252T4130 M252.2T68.8 252.199996948242 252.199996948242 252.199996948242 68.8335388019452 68.8335388019452 68.8335388019452 1 1 0 1475 Inf -1.27401579602411 0.423656269074491
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778 M252T4064 M252.3T67.7 252.300003051758 252.300003051758 252.300003051758 67.7304011125165 67.7304011125165 67.7304011125165 1 1 0 5795 2.41378181503252 -0.541113475174956 0.664866855421453
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779 M252T4040 M252.3T67.3 252.300003051758 252.300003051758 252.300003051758 67.3353039218979 67.3353039218979 67.3353039218979 1 1 0 5302 Inf -1 0.5
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780 M252T3934 M252.3T65.6 252.300003051758 252.300003051758 252.300003051758 65.5613379214679 65.5613379214679 65.5613379214679 1 0 1 2976 Inf 1 0.5
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781 M252T4000 M252.4T66.7 252.400009155273 252.400009155273 252.400009155273 66.6635262467453 66.6635262467453 66.6635262467453 1 1 0 6151 Inf -1 0.5
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782 M253T3332 M252.9T55.5 252.900009155273 252.900009155273 252.900009155273 55.5379857096822 55.5379857096822 55.5379857096822 1 0 1 15 2.25097525318711 0.600418050441902 0.636273591176291
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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783 M253T3848 M252.9T64.1 252.900009155273 252.900009155273 252.900009155273 64.1390715523787 64.1390715523787 64.1390715523787 1 1 0 1355 Inf -1 0.5
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784 M253T3206 M252.9T53.4 252.900009155273 252.900009155273 252.900009155273 53.4268624124874 53.4268624124874 53.4268624124874 1 1 0 4297 3.90566654194613 -0.720713333953451 0.590787781640217
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785 M253T3766 M252.9T62.8 252.900009155273 252.900009155273 252.900009155273 62.7649736411858 62.7649736411858 62.7649736411858 1 0 1 945 Inf 1 0.5
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1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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788 M253T3078 M253.2T51.3 253.199996948242 253.199996948242 253.199996948242 51.2925574420761 51.2925574420761 51.2925574420761 1 1 0 3520 5.1672622098502 -1.71049472338792 0.280581917649235
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789 M253T3686 M253.2T61.4 253.199996948242 253.199996948242 253.199996948242 61.4357506937865 61.4357506937865 61.4357506937865 1 0 1 [M-H]- 254.206 5 2.19294538937453 -0.826991716958538 0.495316319330029
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790 M253T3068 M253.3T51.1 253.300003051758 253.300003051758 253.300003051758 51.1386255195752 51.1386255195752 51.1386255195752 1 1 0 2422 Inf -1 0.5
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791 M253T3445 M253.3T57.4 253.300003051758 253.300003051758 253.300003051758 57.4163279271016 57.4163279271016 57.4163279271016 1 1 0 2920 Inf -1 0.5
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792 M253T4075 M253.3T67.9 253.300003051758 253.300003051758 253.300003051758 67.9142798293851 67.9142798293851 67.9142798293851 1 1 0 3868 Inf -2.48186346756034 0.243840464413489
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793 M254T3088 M253.8T51.5 253.800003051758 253.800003051758 253.800003051758 51.4723419567041 51.4723419567041 51.4723419567041 1 1 0 5953 3.52126002681845 -0.688774458339674 0.602633669783747
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794 M254T4122 M253.8T68.7 253.800003051758 253.800003051758 253.800003051758 68.7075920019962 68.7075920019962 68.7075920019962 1 0 1 1709 Inf 2.4021399775721 0.251130454394916
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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795 M254T3626 M253.9T60.4 253.900009155273 253.900009155273 253.900009155273 60.4260516004678 60.3952301724741 60.4568730284616 2 1 1 1604 2.27170844325458 -1.09202637541289 0.410176326652878
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796 M254T3082 M253.9T51.4 253.900009155273 253.900009155273 253.900009155273 51.3618795346304 51.3618795346304 51.3618795346304 1 1 0 3517 3.24599785429428 -4.05105307140533 0.146422163961005
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798 M254T3960 M253.9T66 253.900009155273 253.900009155273 253.900009155273 66.0056329412376 66.0056329412376 66.0056329412376 1 0 1 5907 2.36520581466098 0.564748321358936 0.666387298135585
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799 M254T3902_1 M253.9T65_1 253.900009155273 253.900009155273 253.900009155273 65.0387550612303 65.0387550612303 65.0387550612303 1 0 1 4811 4.23763738143671 0.743595691926028 0.582595204451076
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800 M254T2927 M253.9T48.8 253.900009155273 253.900009155273 253.900009155273 48.7797731624799 48.7797731624799 48.7797731624799 1 1 0 60 Inf -1 0.5
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801 M254T3379 M253.9T56.3 253.900009155273 253.900009155273 253.900009155273 56.3156368424134 56.3156368424134 56.3156368424134 1 1 0 [M-H]- 254.907 25 4.29562994203954 -0.74722507221649 0.581316744734572
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802 M254T3261 M254T54.3 254 254 254 54.3457617907021 54.3457617907021 54.3457617907021 1 1 0 3594 Inf -1 0.5
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803 M254T4132 M254T68.9 254 254 254 68.8592396341954 68.8592396341954 68.8592396341954 1 0 1 1476 2.92960663994629 0.658625289985869 0.629205929948237
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804 M254T4025 M254T67.1 254 254 254 67.0821484557032 67.0821484557032 67.0821484557032 1 1 0 185 Inf -1 0.5
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805 M254T3231 M254.1T53.8 254.100006103516 254.100006103516 254.100006103516 53.8418209238434 53.8418209238434 53.9609295625356 3 1 1 2700 3.22931130792803 -0.966075612221819 0.509380322498602
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806 M254T4044 M254.1T67.4 254.100006103516 254.100006103516 254.100006103516 67.3960535678244 67.3960535678244 67.3960535678244 1 1 0 4106 4.37466252897692 -3.73954399769873 0.113573503121389
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807 M254T3136 M254.2T52.3 254.199996948242 254.199996948242 254.199996948242 52.2726919895363 52.2726919895363 52.2726919895363 1 1 0 3113 9.20810232994098 -0.886189466236155 0.535602699548536
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808 M254T4136 M254.2T68.9 254.199996948242 254.199996948242 254.199996948242 68.937955126004 68.937955126004 68.937955126004 1 1 0 3960 3.86054396908909 -0.717295619209022 0.592031802008773
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809 M254T3160 M254.2T52.7 254.199996948242 254.199996948242 254.199996948242 52.6613618021329 52.6613618021329 52.6613618021329 1 0 1 824 5.00109095987165 2.09254540148945 0.196982431374128
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810 M254T3183 M254.2T53.1 254.199996948242 254.199996948242 254.199996948242 53.0547557047023 53.0547557047023 53.0547557047023 1 1 0 2183 2.79989964767607 -0.605391005258423 0.636147972143729
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811 M254T2543 M254.2T42.4 254.199996948242 254.199996948242 254.199996948242 42.3802847480001 42.3802847480001 42.3802847480001 1 0 1 5156 9.69172932330797 1.70311079720828 0.324106707314253
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812 M254T4000 M254.2T66.7 254.199996948242 254.199996948242 254.199996948242 66.6585081837622 66.6585081837622 66.6585081837622 1 0 1 6152 10.1556448240881 5.20333230890559 0.0445973721733837
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813 M254T2804 M254.2T46.7 254.199996948242 254.199996948242 254.199996948242 46.7297365966852 46.7297365966852 46.7297365966852 1 1 0 5179 1.41424115996733 -0.290632522889732 0.818799340318437
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814 M254T3277 M254.3T54.6 254.300003051758 254.300003051758 254.300003051758 54.6143015430721 54.5854122290371 54.6431908571071 2 2 0 18 3.22655122023216 -1.8712202095302 0.223288734905218
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815 M254T4105 M254.3T68.4 254.300003051758 254.300003051758 254.300003051758 68.4156059398161 68.4156059398161 68.4156059398161 1 1 0 5643 3.94100806241743 -0.723335032297009 0.589837185890815
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816 M254T3902_2 M254.3T65_2 254.300003051758 254.300003051758 254.300003051758 65.0387550612303 65.0387550612303 65.0387550612303 1 0 1 4786 1.04308559430775 -0.0477129320874531 0.966498693011254
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817 M255T3929 M254.9T65.5 254.900009155273 254.900009155273 254.900009155273 65.4833667840126 65.4833667840126 65.4833667840126 1 1 0 2977 Inf -1 0.5
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818 M255T4074 M254.9T67.9 254.900009155273 254.900009155273 254.900009155273 67.8933246007054 67.8933246007054 67.8933246007054 1 0 1 3869 8.17593233197423 0.871197515847483 0.540316621361988
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819 M255T4111 M254.9T68.5 254.900009155273 254.900009155273 254.900009155273 68.5231777206461 68.5231777206461 68.5231777206461 1 0 1 43 1.87921286969805 0.413024554279305 0.730243345001124
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820 M255T4135 M254.9T68.9 254.900009155273 254.900009155273 254.900009155273 68.9178140980764 68.9178140980764 68.9178140980764 1 0 1 99 11.0843418552889 0.906102655946101 0.529379310945723
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821 M255T3732 M255T62.2 255 255 255 62.206314950523 62.206314950523 62.206314950523 1 1 0 3550 6.72067905918547 -0.841936383800211 0.549622213583238
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822 M255T3626 M255T60.4 255 255 255 60.4324998003135 60.4324998003135 60.4324998003135 1 0 1 1605 5.30811332835452 2.02638687785385 0.218047297496753
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823 M255T3655 M255.1T60.9 255.100006103516 255.100006103516 255.100006103516 60.9167454656271 60.7755886288174 60.9325563253092 3 2 1 [M-H-CH2O]- 286.127 47 1.88827991166664 -1.27131734073565 0.334231085517752
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824 M255T3684 M255.1T61.4 255.100006103516 255.100006103516 255.100006103516 61.4042261122248 61.3293438226592 61.4791084017905 2 1 1 [M-2H]2- 512.225 5 2.25965133046049 -2.65452042688588 0.202564276251738
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825 M255T3671 M255.2T61.2 255.199996948242 255.199996948242 255.199996948242 61.1814215708887 61.087810612743 61.2782349943168 4 2 2 [4][M]- 2 1.53167967735845 5.44678212925301 0.0661925189482893
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826 M255T3289 M255.2T54.8 255.199996948242 255.199996948242 255.199996948242 54.8239789441948 54.8239789441948 54.8239789441948 1 1 0 38 1.3236393357287 -0.291675490069878 0.807005469379559
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827 M255T3447 M255.2T57.4 255.199996948242 255.199996948242 255.199996948242 57.4478184856334 57.4478184856334 57.4478184856334 1 0 1 2921 Inf 1 0.5
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828 M255T3431 M255.2T57.2 255.199996948242 255.199996948242 255.199996948242 57.1774461548717 57.1774461548717 57.1774461548717 1 1 0 5255 Inf -1 0.5
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829 M255T2996 M255.2T49.9 255.199996948242 255.199996948242 255.199996948242 49.9305080673032 49.9305080673032 49.9305080673032 1 1 0 [M-H]- 256.205 1822 1.07259332189099 -0.0495029802752413 0.965037025348083
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830 M255T2683 M255.2T44.7 255.199996948242 255.199996948242 255.199996948242 44.7137721930535 44.7137721930535 44.7137721930535 1 1 0 638 1.84781396131327 -0.403518930622588 0.735528341073625
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831 M255T3174 M255.2T52.9 255.199996948242 255.199996948242 255.199996948242 52.8953535389424 52.8953535389424 52.8953535389424 1 0 1 767 Inf 1 0.5
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832 M255T4118 M255.3T68.6 255.300003051758 255.300003051758 255.300003051758 68.626545094649 68.626545094649 68.626545094649 1 0 1 4548 4.83279936788911 0.776628907497462 0.571154190497006
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833 M256T2638 M255.9T44 255.900009155273 255.900009155273 255.900009155273 43.9675015875159 43.9675015875159 43.9675015875159 1 1 0 2639 Inf -1 0.5
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834 M256T3321 M256T55.4 256 256 256 55.3551840650165 55.3551840650165 55.3551840650165 1 1 0 16 1.0331314004547 -0.0599024631811483 0.961052251773537
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835 M256T4172 M256T69.5 256 256 256 69.5382297032655 69.5382297032655 69.5382297032655 1 1 0 4380 1.10440718407353 -0.0927874697700772 0.940273493644306
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836 M256T3443 M256.1T57.4 256.100006103516 256.100006103516 256.100006103516 57.3788122032545 57.2838294785555 57.4737949279535 2 1 1 62 3.35245831554111 -0.850989326423172 0.54877955457727
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837 M256T3659 M256.1T61 256.100006103516 256.100006103516 256.100006103516 60.9832769923902 60.9832769923902 60.9832769923902 1 0 1 [M-H+Cl]2- 478.236 2 1.08817850947259 -0.102560901776747 0.930241893756113
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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838 M256T3672 M256.1T61.2 256.100006103516 256.100006103516 256.100006103516 61.1993746267368 61.1993746267368 61.1993746267368 1 0 1 [M-H+Cl]2- 478.236 2 1.04433458496944 -0.0921509724864712 0.935493069925518
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839 M256T3258 M256.1T54.3 256.100006103516 256.100006103516 256.100006103516 54.3002771169981 54.3002771169981 54.3002771169981 1 1 0 3591 3.39281635686192 -1.12887021911579 0.453806385375691
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840 M256T3668 M256.2T61.1 256.200012207031 256.200012207031 256.200012207031 61.1400389252778 61.1400389252778 61.1400389252778 1 0 1 [4][M+1]- 2 1.15440149282143 0.539282513709417 0.643756797964914
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841 M256T3450 M256.2T57.5 256.200012207031 256.200012207031 256.200012207031 57.495366268726 57.495366268726 57.495366268726 1 1 0 3330 8.5075017159264 -0.981547634576596 0.50545339221298
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842 M256T3304 M256.3T55.1 256.300018310547 256.300018310547 256.300018310547 55.064301395426 55.064301395426 55.064301395426 1 0 1 5382 Inf 7.79964596652693 0.0811787507312065
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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843 M257T3987 M256.8T66.5 256.800018310547 256.800018310547 256.800018310547 66.454173126163 66.454173126163 66.454173126163 1 1 0 4486 Inf -1 0.5
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844 M257T4128 M256.9T68.8 256.899993896484 256.899993896484 256.899993896484 68.8075175566691 68.8075175566691 68.8075175566691 1 0 1 [M-H-H2O]- 275.91 23 1.08242777702151 0.0680492628938511 0.953801808926265
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845 M257T3850 M256.9T64.2 256.899993896484 256.899993896484 256.899993896484 64.1617841826784 64.1617841826784 64.1617841826784 1 0 1 1356 6.30792994761892 0.831090724180616 0.553116159664012
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846 M257T4107 M256.9T68.4 256.899993896484 256.899993896484 256.899993896484 68.4456488229912 68.4456488229912 68.4456488229912 1 0 1 2288 3.8522789751087 1.38750157316773 0.330021421041167
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847 M257T3402 M257T56.7 257 257 257 56.6959090926017 56.6959090926017 56.6959090926017 1 0 1 1309 Inf 1.68409518788645 0.341127167973981
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848 M257T3599 M257T60 257 257 257 59.9892970699843 59.9892970699843 59.9892970699843 1 0 1 1434 1.3710845412515 -0.350909843140807 0.776130732238819
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849 M257T3653 M257.1T60.9 257.100006103516 257.100006103516 257.100006103516 60.8814607281916 60.8033578723594 60.9425957571376 4 2 2 2403 1.13258175300193 -0.611602235650987 0.613405661114456
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850 M257T3641 M257.2T60.7 257.200012207031 257.200012207031 257.200012207031 60.686059735756 60.6478420395625 60.7242774319495 2 1 1 2851 1.3393729494302 0.629554189023526 0.639137476660679
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851 M257T3218 M257.2T53.6 257.200012207031 257.200012207031 257.200012207031 53.6309430249299 53.6309430249299 53.6309430249299 1 0 1 4298 2.04227187361997 0.507556180603458 0.699529269832954
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852 M257T3020 M257.2T50.3 257.200012207031 257.200012207031 257.200012207031 50.3259416320112 50.3259416320112 50.3259416320112 1 0 1 2136 3.13788609024148 1.03515114467712 0.434392537411342
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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853 M257T4045 M257.3T67.4 257.300018310547 257.300018310547 257.300018310547 67.4222089875073 67.4222089875073 67.4222089875073 1 1 0 4107 Inf -1 0.5
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854 M257T3286 M257.3T54.8 257.300018310547 257.300018310547 257.300018310547 54.766452695745 54.766452695745 54.766452695745 1 0 1 [M-H-HCNO]- 301.309 3790 Inf 1 0.5
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855 M257T3739 M257.3T62.3 257.300018310547 257.300018310547 257.300018310547 62.3163563304098 62.3163563304098 62.3163563304098 1 0 1 4708 Inf 1 0.5
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856 M257T3371 M257.3T56.2 257.300018310547 257.300018310547 257.300018310547 56.1827784296286 56.1827784296286 56.1827784296286 1 0 1 1549 Inf 1 0.5
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857 M258T3408 M257.9T56.8 257.899993896484 257.899993896484 257.899993896484 56.8008974440787 56.8008974440787 56.8008974440787 1 1 0 2542 Inf -1 0.5
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858 M258T4045 M258T67.4 258 258 258 67.4222089875073 67.4222089875073 67.4222089875073 1 1 0 4108 7.69350919199743 -1.54607044771818 0.36390457369497
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860 M258T3848 M258.2T64.1 258.200012207031 258.200012207031 258.200012207031 64.1390715523787 64.1390715523787 64.1390715523787 1 1 0 21 15.0683505130067 -1.15679069692497 0.451801137890164
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862 M258T2823 M258.2T47.1 258.200012207031 258.200012207031 258.200012207031 47.050398741134 47.050398741134 47.050398741134 1 0 1 3291 Inf 1 0.5
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866 M258T4042 M258.3T67.4 258.300018310547 258.300018310547 258.300018310547 67.3595782938506 67.3595782938506 67.3595782938506 1 0 1 5303 5.15376993756138 2.77583726324513 0.110336018976807
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868 M258T3967 M258.3T66.1 258.300018310547 258.300018310547 258.300018310547 66.1102469015871 66.1102469015871 66.1102469015871 1 0 1 2007 2.98969303458502 0.631147411463758 0.625367042353685
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870 M258T4425 M258.4T73.8 258.399993896484 258.399993896484 258.399993896484 73.7559691816509 73.7559691816509 73.7559691816509 1 0 1 309 Inf 1 0.5
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871 M259T4113 M258.9T68.5 258.899993896484 258.899993896484 258.899993896484 68.5490222088792 68.5490222088792 68.5490222088792 1 0 1 2289 1.7786718095553 0.419266501828826 0.738571511790912
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873 M259T2569 M258.9T42.8 258.899993896484 258.899993896484 258.899993896484 42.8119547793471 42.8119547793471 42.8119547793471 1 1 0 161 Inf -1 0.5
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874 M259T3531 M258.9T58.9 258.899993896484 258.899993896484 258.899993896484 58.8569191487398 58.8569191487398 58.8569191487398 1 0 1 1943 Inf 1 0.5
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875 M259T4026 M258.9T67.1 258.899993896484 258.899993896484 258.899993896484 67.1052517121556 67.1052517121556 67.1052517121556 1 0 1 239 2.14857239958897 0.484652857107884 0.692332378734071
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879 M259T2529 M259.2T42.2 259.200012207031 259.200012207031 259.200012207031 42.1550162432725 42.1550162432725 42.1550162432725 1 1 0 5594 6.32729211087426 -0.831632157368059 0.552941075741407
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881 M259T3900 M259.3T65 259.300018310547 259.300018310547 259.300018310547 64.9959186851761 64.9959186851761 64.9959186851761 1 1 0 4801 Inf -1 0.5
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884 M260T3315 M259.7T55.3 259.700012207031 259.700012207031 259.700012207031 55.2562486416525 55.2562486416525 55.2562486416525 1 0 1 515 2.14209014587985 0.73927918009767 0.53847839257287
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885 M260T3563 M259.8T59.4 259.800018310547 259.800018310547 259.800018310547 59.3780029429172 59.3780029429172 59.3780029429172 1 0 1 1651 Inf 1 0.5
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886 M260T4027 M259.9T67.1 259.899993896484 259.899993896484 259.899993896484 67.1241327452581 67.1241327452581 67.1241327452581 1 1 0 3756 1.68586476765171 0.349906411546032 0.766405857921168
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888 M260T2526 M259.9T42.1 259.899993896484 259.899993896484 259.899993896484 42.1028495766058 42.1028495766058 42.1028495766058 1 1 0 241 Inf -1 0.5
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889 M260T3946 M259.9T65.8 259.899993896484 259.899993896484 259.899993896484 65.7649570461243 65.7649570461243 65.7649570461243 1 0 1 3730 3.12250550479358 0.647356886731688 0.618784261309215
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896 M260T3483 M260.2T58 260.200012207031 260.200012207031 260.200012207031 58.0434185277739 58.0434185277739 58.0434185277739 1 0 1 1778 Inf 1.62738711077786 0.35077749039005
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901 M260T3408 M260.3T56.8 260.300018310547 260.300018310547 260.300018310547 56.8068285605479 56.8068285605479 56.8068285605479 1 1 0 2543 Inf -2.18624616330172 0.273106612453554
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906 M261T4009 M260.9T66.8 260.899993896484 260.899993896484 260.899993896484 66.8205274164213 66.8205274164213 66.8205274164213 1 1 0 5209 Inf -1 0.5
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907 M261T4219 M260.9T70.3 260.899993896484 260.899993896484 260.899993896484 70.3208179544196 70.3208179544196 70.3208179544196 1 1 0 5325 Inf -1 0.5
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908 M261T4184 M261T69.7 261 261 261 69.7370245250754 69.7370245250754 69.7370245250754 1 0 1 5992 Inf 1 0.5
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909 M261T4170 M261T69.5 261 261 261 69.4963083146132 69.4963083146132 69.4963083146132 1 0 1 5920 3.15304928483013 0.650895361909652 0.61736742068044
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913 M261T3529 M261.3T58.8 261.300018310547 261.300018310547 261.300018310547 58.8203090451158 58.8203090451158 58.8203090451158 1 1 0 382 1.87168654166622 0.410770471157109 0.73149129778721
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915 M262T3750 M261.5T62.5 261.5 261.5 261.5 62.5039961174716 62.5039961174716 62.5039961174716 1 1 0 1042 5.63138513814849 -0.80975574767434 0.560076156992726
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919 M262T3107 M261.9T51.8 261.899993896484 261.899993896484 261.899993896484 51.7826424990644 51.7826424990644 51.7826424990644 1 1 0 3125 1.40132012417637 -5.71490511488625 0.0991988786486799
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921 M262T3011 M261.9T50.2 261.899993896484 261.899993896484 261.899993896484 50.1884455561157 50.1884455561157 50.1884455561157 1 1 0 2079 Inf -1 0.5
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922 M262T3149 M262T52.5 262 262 262 52.4873689953876 52.4873689953876 52.4873689953876 1 1 0 64 Inf -2.4368259489202 0.247908556965281
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923 M262T3435 M262T57.2 262 262 262 57.2475843231013 57.2475843231013 57.2475843231013 1 1 0 4883 1.97722677582201 -0.891984487477941 0.469465507388841
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924 M262T3152 M262.2T52.5 262.200012207031 262.200012207031 262.200012207031 52.531098603379 52.531098603379 52.531098603379 1 0 1 3055 2.02256421795015 0.931640265579004 0.501402331015141
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925 M262T4020 M262.2T67 262.200012207031 262.200012207031 262.200012207031 67.000147311071 67.000147311071 67.000147311071 1 0 1 5569 Inf 1 0.5
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926 M262T2655 M262.3T44.3 262.300018310547 262.300018310547 262.300018310547 44.2529407694737 44.2529407694737 44.2529407694737 1 0 1 5842 Inf 1 0.5
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927 M263T3531 M262.8T58.9 262.800018310547 262.800018310547 262.800018310547 58.8569000794157 58.8569000794157 58.8569000794157 1 1 0 1944 1.79480531619954 -0.386844396696118 0.744939197547652
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928 M263T3163 M262.8T52.7 262.800018310547 262.800018310547 262.800018310547 52.7188087809515 52.7188087809515 52.7188087809515 1 1 0 825 Inf -1 0.5
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929 M263T3409 M262.9T56.8 262.899993896484 262.899993896484 262.899993896484 56.8125390572589 56.8125390572589 56.8125390572589 1 0 1 2544 1.8007792017636 0.443201877138936 0.733636613416726
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930 M263T2889 M263T48.1 263 263 263 48.1432297004014 48.1432297004014 48.1432297004014 1 0 1 95 1.93207157716414 5.42613685109901 0.0460123454320263
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931 M263T3320 M263.1T55.3 263.100006103516 263.100006103516 263.100006103516 55.3289173675151 55.3289173675151 55.3289173675151 1 1 0 1135 7.5464142002082 -0.94169617800588 0.518011722374777
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932 M263T3893 M263.2T64.9 263.200012207031 263.200012207031 263.200012207031 64.8756667119998 64.8756667119998 64.8756667119998 1 1 0 4898 8.78649396318098 -1.40188000575687 0.38372864958926
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933 M263T2753 M263.2T45.9 263.200012207031 263.200012207031 263.200012207031 45.8792931886908 45.8792931886908 45.8792931886908 1 1 0 4348 3.9872225855906 -1.02576071344849 0.461955200701413
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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934 M263T3391 M263.2T56.5 263.200012207031 263.200012207031 263.200012207031 56.5168534750467 56.5168534750467 56.5168534750467 1 1 0 470 3.39756376008589 -1.03601795212803 0.443308344497484
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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935 M263T3667 M263.2T61.1 263.200012207031 263.200012207031 263.200012207031 61.1204224959539 61.1204224959539 61.1204224959539 1 0 1 [M-H-CH4S]- 312.214 2 1.39616033786996 0.364427117973212 0.77741918282896
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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936 M263T2675 M263.2T44.6 263.200012207031 263.200012207031 263.200012207031 44.5817888056605 44.5817888056605 44.5817888056605 1 0 1 630 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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937 M263T3481 M263.3T58 263.300018310547 263.300018310547 263.300018310547 58.0176588676934 58.0176588676934 58.0176588676934 1 0 1 1779 Inf 1 0.5
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938 M263T3878 M263.3T64.6 263.300018310547 263.300018310547 263.300018310547 64.6384283091249 64.6384283091249 64.6384283091249 1 1 0 2734 Inf -1 0.5
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939 M263T3935 M263.3T65.6 263.300018310547 263.300018310547 263.300018310547 65.5809837470753 65.5809837470753 65.5809837470753 1 0 1 4173 Inf 1 0.5
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940 M264T4185 M263.8T69.7 263.800018310547 263.800018310547 263.800018310547 69.7497908732843 69.7497908732843 69.7497908732843 1 1 0 5995 Inf -1 0.5
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941 M264T2678 M263.9T44.6 263.899993896484 263.899993896484 263.899993896484 44.6268612270024 44.6268612270024 44.6268612270024 1 0 1 641 4.96810976777764 0.783011764027696 0.568991130461029
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942 M264T3618 M263.9T60.3 263.899993896484 263.899993896484 263.899993896484 60.2943137537896 60.2943137537896 60.2943137537896 1 0 1 [M-2H+Na]- 242.929 [M-H-CH2]- 278.911 2561 3.47926638493132 0.684856841212318 0.604121874210798
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943 M264T3679 M263.9T61.3 263.899993896484 263.899993896484 263.899993896484 61.31359617978 61.31359617978 61.31359617978 1 1 0 3688 Inf -1 0.5
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944 M264T3243 M264T54 264 264 264 54.042055990214 54.042055990214 54.042055990214 1 0 1 3463 1.06935724563717 0.0597328795002347 0.959987304153364
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945 M264T3926 M264T65.4 264 264 264 65.4366903693912 65.4366903693912 65.4366903693912 1 1 0 2978 Inf -1 0.5
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946 M264T2644 M264.1T44.1 264.100006103516 264.100006103516 264.100006103516 44.0744270027957 44.0744270027957 44.0744270027957 2 1 0 193 1.10622132632203 0.220238839925439 0.851798581146137
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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947 M264T2925 M264.2T48.7 264.200012207031 264.200012207031 264.200012207031 48.7431376493003 48.7431376493003 48.7431376493003 1 1 0 2866 4.7756325076035 -0.773820852269028 0.572110433015175
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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948 M264T2748 M264.2T45.8 264.200012207031 264.200012207031 264.200012207031 45.8013502169153 45.8013502169153 45.8013502169153 1 1 0 4344 4.45199970814962 -0.756531898210048 0.578063323518539
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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949 M264T3693 M264.3T61.6 264.300018310547 264.300018310547 264.300018310547 61.5570600273993 61.5570600273993 61.5570600273993 1 0 1 583 5.24792803697856 0.79514159055843 0.564919193824217
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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950 M264T2902 M264.3T48.4 264.300018310547 264.300018310547 264.300018310547 48.3602650167811 48.3602650167811 48.3602650167811 1 0 1 4774 Inf 1 0.5
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lecorguille
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951 M264T3294 M264.3T54.9 264.300018310547 264.300018310547 264.300018310547 54.9032275137848 54.9032275137848 54.9032275137848 1 1 0 5981 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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952 M264T3050 M264.3T50.8 264.300018310547 264.300018310547 264.300018310547 50.8309062958886 50.8309062958886 50.8309062958886 1 1 0 3486 2.47957517383724 -0.553395803603719 0.659172783512421
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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953 M264T4081 M264.4T68 264.399993896484 264.399993896484 264.399993896484 68.0192635878379 68.0192635878379 68.0192635878379 1 1 0 5716 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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954 M264T3319 M264.4T55.3 264.399993896484 264.399993896484 264.399993896484 55.3242954747926 55.3242954747926 55.3242954747926 1 1 0 1140 3.09791819639767 -0.644458701500261 0.619950055558181
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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955 M265T4168 M264.9T69.5 264.899993896484 264.899993896484 264.899993896484 69.4618250318358 69.4618250318358 69.4618250318358 1 1 0 5921 Inf -1 0.5
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956 M265T4186 M264.9T69.8 264.899993896484 264.899993896484 264.899993896484 69.7628004491662 69.7628004491662 69.7628004491662 1 0 1 6069 2.79642037597101 0.604887338989753 0.636362819848274
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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957 M265T4146 M264.9T69.1 264.899993896484 264.899993896484 264.899993896484 69.1018003546855 69.1018003546855 69.1018003546855 1 0 1 5624 2.58910398512069 0.572544723302255 0.650491978314163
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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958 M265T3681 M265T61.4 265 265 265 61.3570085782962 61.3570085782962 61.3570085782962 1 0 1 584 2.08894283948491 0.4701901913936 0.69971157567636
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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959 M265T4141 M265T69 265 265 265 69.0143366635432 69.0143366635432 69.0143366635432 1 0 1 4209 1.05972365442383 0.0752145310231918 0.949290452546468
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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960 M265T3421 M265T57 265 265 265 57.0235016831111 57.0235016831111 57.0235016831111 1 0 1 861 2.18832543421422 0.623733185262181 0.607369243175909
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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961 M265T2611 M265T43.5 265 265 265 43.5137444711501 43.5137444711501 43.5137444711501 1 0 1 4005 2.85806559563352 0.61363620412266 0.632653006575382
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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962 M265T2612 M265.1T43.5 265.100006103516 265.100006103516 265.100006103516 43.5373829099392 43.5373829099392 43.5373829099392 2 1 0 100 1.10670647372402 -0.569254942252479 0.661709219167657
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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963 M265T3447 M265.1T57.4 265.100006103516 265.100006103516 265.100006103516 57.4478184856334 57.4478184856334 57.4478184856334 1 0 1 62 1.27797953086252 0.542975611764084 0.650906666572285
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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964 M265T3140 M265.2T52.3 265.200012207031 265.200012207031 265.200012207031 52.3340719252215 52.3340719252215 52.3340719252215 1 0 1 3114 1.14794952176471 -0.097179956620182 0.931592236562333
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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965 M265T3829 M265.2T63.8 265.200012207031 265.200012207031 265.200012207031 63.8113495790108 63.8113495790108 63.8113495790108 1 1 0 [M-H]- 266.206 1851 1.11351442380661 0.15448638356024 0.891890161163014
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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966 M265T2691 M265.2T44.8 265.200012207031 265.200012207031 265.200012207031 44.8428547027469 44.8428547027469 44.8428547027469 1 0 1 [M-H-C4H4]- 318.233 6 Inf 5.69311061112362 0.110693634609674
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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967 M265T2567 M265.2T42.8 265.200012207031 265.200012207031 265.200012207031 42.7834444711501 42.7834444711501 42.7834444711501 1 0 1 5859 2.24472216030576 0.506521523729094 0.681441185407564
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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968 M265T2996 M265.2T49.9 265.200012207031 265.200012207031 265.200012207031 49.9275793469874 49.9275793469874 49.9275793469874 1 0 1 1824 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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969 M265T3824 M265.3T63.7 265.300018310547 265.300018310547 265.300018310547 63.7412461334976 63.7412461334976 63.7412461334976 1 0 1 1873 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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970 M265T4026 M265.3T67.1 265.300018310547 265.300018310547 265.300018310547 67.0977171907243 67.0977171907243 67.0977171907243 1 1 0 5949 1.46360045984786 -0.808286141109709 0.534533089061975
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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971 M265T3399 M265.3T56.7 265.300018310547 265.300018310547 265.300018310547 56.6538784348037 56.6538784348037 56.6538784348037 1 0 1 1303 3.48462630919897 0.685362117227639 0.603929485012304
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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972 M265T4138 M265.3T69 265.300018310547 265.300018310547 265.300018310547 68.9640534798681 68.9640534798681 68.9640534798681 1 1 0 3961 5.56620398818126 -0.807417658927556 0.560846612467365
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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973 M266T3730 M265.8T62.2 265.800018310547 265.800018310547 265.800018310547 62.1585665606878 62.1585665606878 62.1585665606878 1 0 1 3551 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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974 M266T4070 M265.8T67.8 265.800018310547 265.800018310547 265.800018310547 67.8355149308149 67.8355149308149 67.8355149308149 1 1 0 3870 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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975 M266T2700 M265.9T45 265.899993896484 265.899993896484 265.899993896484 45.0066297489416 45.0066297489416 45.0066297489416 1 0 1 4858 1.84457367534083 0.402522557847886 0.736085685830368
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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976 M266T4080 M265.9T68 265.899993896484 265.899993896484 265.899993896484 67.99838347515 67.99838347515 67.99838347515 1 0 1 5717 Inf 1 0.5
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977 M266T3834 M265.9T63.9 265.899993896484 265.899993896484 265.899993896484 63.8990412517743 63.8990412517743 63.8990412517743 1 0 1 3349 Inf 1 0.5
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978 M266T3855 M265.9T64.2 265.899993896484 265.899993896484 265.899993896484 64.2440154526799 64.2440154526799 64.2440154526799 1 1 0 1359 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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979 M266T2719 M265.9T45.3 265.899993896484 265.899993896484 265.899993896484 45.3107045314169 45.3107045314169 45.3107045314169 1 1 0 2468 5.66141289423723 -0.810814217984887 0.559727893540358
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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980 M266T3808 M265.9T63.5 265.899993896484 265.899993896484 265.899993896484 63.4586412146712 63.4586412146712 63.4586412146712 1 1 0 3708 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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981 M266T3430 M266T57.2 266 266 266 57.168212677188 57.168212677188 57.168212677188 1 1 0 5257 Inf -1.1548581502913 0.454328052642511
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982 M266T2831 M266.1T47.2 266.100006103516 266.100006103516 266.100006103516 47.1818837364836 47.1818837364836 47.1818837364836 1 0 1 121 1.76971677207417 -0.82432794843874 0.523654004096222
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983 M266T4142 M266.1T69 266.100006103516 266.100006103516 266.100006103516 69.0401974996345 69.0401974996345 69.0401974996345 1 0 1 4210 2.29404113731919 0.892242611345574 0.466606736846873
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984 M266T3669 M266.2T61.1 266.200012207031 266.200012207031 266.200012207031 61.1467514117221 61.0607939064353 61.2960210515393 3 1 2 2 1.16031296591303 0.212026741369975 0.860487962434374
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985 M266T3157 M266.2T52.6 266.200012207031 266.200012207031 266.200012207031 52.6162377405476 52.6162377405476 52.6162377405476 1 1 0 819 Inf -90.6861654787713 0.00701974736165845
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986 M266T4092 M266.3T68.2 266.300018310547 266.300018310547 266.300018310547 68.2065490621238 68.2065490621238 68.2065490621238 1 1 0 4959 Inf -1.47695472946796 0.378896712610802
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987 M266T3931 M266.3T65.5 266.300018310547 266.300018310547 266.300018310547 65.5145053640489 65.5145053640489 65.5145053640489 1 1 0 2979 Inf -1 0.5
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988 M266T3832 M266.3T63.9 266.300018310547 266.300018310547 266.300018310547 63.8649299348912 63.8649299348912 63.8649299348912 1 1 0 3341 1.20201640338605 -0.151995363833565 0.893353808221748
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989 M266T3567 M266.4T59.5 266.399993896484 266.399993896484 266.399993896484 59.456889751375 59.456889751375 59.456889751375 1 0 1 1652 Inf 1 0.5
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990 M266T3323 M266.4T55.4 266.399993896484 266.399993896484 266.399993896484 55.3795249542604 55.3795249542604 55.3795249542604 1 0 1 16 1.77271839822365 0.771351714564026 0.580986450006563
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991 M267T3904 M267T65.1 267 267 267 65.0604157244199 65.0604157244199 65.0604157244199 1 1 0 4812 Inf -1 0.5
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992 M267T3584 M267T59.7 267 267 267 59.7324508050054 59.7324508050054 59.7324508050054 1 0 1 1692 5.32914046598104 0.798417314622941 0.56382786436257
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993 M267T2791 M267T46.5 267 267 267 46.5109424606611 46.5109424606611 46.5109424606611 1 1 0 [M-H]- 268.009 12 2.04532359341442 -0.682257817670426 0.61661865917763
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994 M267T3793 M267T63.2 267 267 267 63.2137342959555 63.2137342959555 63.2137342959555 1 0 1 5517 Inf 1 0.5
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995 M267T3667 M267.1T61.1 267.100006103516 267.100006103516 267.100006103516 61.1226842371863 61.0459938476358 61.1993746267368 2 1 1 [5][M]- [M+Cl]- 232.127 [M-H]- 268.113 2 1.02060700671809 -0.0559270571611649 0.960506814034146
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996 M267T3978 M267.1T66.3 267.100006103516 267.100006103516 267.100006103516 66.3040690513673 66.3040690513673 66.3040690513673 1 1 0 1981 1.95832063071796 -0.5276957834649 0.686832671093095
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997 M267T3663 M267.2T61.1 267.200012207031 267.200012207031 267.200012207031 61.0506959041082 61.0149726434676 61.0864191647488 2 1 1 [6][M]- [M-H-N2O]- 312.214 [M-H-CONH2]- 312.214 2 1.44748870050515 1.35785860610287 0.329145559124914
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998 M267T3352 M267.2T55.9 267.200012207031 267.200012207031 267.200012207031 55.8735923345796 55.8735923345796 55.8735923345796 1 1 0 702 1.71694975679733 -0.426810411607704 0.714144761703003
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999 M267T3258 M267.2T54.3 267.200012207031 267.200012207031 267.200012207031 54.3037175734343 54.3037175734343 54.3037175734343 1 0 1 3596 Inf 2.50139286741139 0.242115634735647
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1000 M267T3287 M267.2T54.8 267.200012207031 267.200012207031 267.200012207031 54.7757035132238 54.7757035132238 54.7757035132238 1 0 1 3792 1.00003520665553 3.4182234336753e-05 0.999977771810922
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1001 M267T3982 M267.2T66.4 267.200012207031 267.200012207031 267.200012207031 66.3694554474008 66.3694554474008 66.3694554474008 1 0 1 [M-H-C2H4O]- 312.229 [M-H-CONH2]- 312.229 5539 2.70078425917199 1.04345002772346 0.474488650819036
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1002 M267T3470 M267.3T57.8 267.300018310547 267.300018310547 267.300018310547 57.8326114422893 57.8326114422893 57.8326114422893 1 1 0 3098 Inf -4.26854740231448 0.146500021640587
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1003 M267T3357 M267.3T56 267.300018310547 267.300018310547 267.300018310547 55.9513227205548 55.9513227205548 55.9513227205548 1 1 0 717 1.43535739975689 -0.493100425466867 0.704679222293563
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1004 M267T4135 M267.3T68.9 267.300018310547 267.300018310547 267.300018310547 68.9178140980764 68.9178140980764 68.9178140980764 1 0 1 3962 4.81931548630636 1.44933720668612 0.339016645391033
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1005 M267T4018 M267.3T67 267.300018310547 267.300018310547 267.300018310547 66.9705310443042 66.9705310443042 66.9705310443042 1 0 1 6206 1.55454572155496 0.300012605427327 0.796685834110268
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1006 M267T3590 M267.3T59.8 267.300018310547 267.300018310547 267.300018310547 59.8364159983693 59.8364159983693 59.8364159983693 1 1 0 28 Inf -1 0.5
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1007 M268T3304 M267.5T55.1 267.5 267.5 267.5 55.064301395426 55.064301395426 55.064301395426 1 0 1 167 1.32004652175755 -0.267893126202293 0.814103918692717
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1008 M268T3394 M267.7T56.6 267.700012207031 267.700012207031 267.700012207031 56.5729707236228 56.5729707236228 56.5729707236228 1 1 0 471 7.92337548041153 -1.98214899140684 0.267110080486646
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1009 M268T4099 M267.9T68.3 267.899993896484 267.899993896484 267.899993896484 68.3164433438469 68.3164433438469 68.3164433438469 1 0 1 5090 Inf 1 0.5
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1010 M268T2779 M267.9T46.3 267.899993896484 267.899993896484 267.899993896484 46.320304450463 46.320304450463 46.320304450463 1 0 1 4273 Inf 1 0.5
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1011 M268T3790 M267.9T63.2 267.899993896484 267.899993896484 267.899993896484 63.1609050395012 63.1609050395012 63.1609050395012 1 0 1 4449 Inf 1 0.5
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1012 M268T2742 M267.9T45.7 267.899993896484 267.899993896484 267.899993896484 45.7053614527651 45.7053614527651 45.7053614527651 1 0 1 4596 Inf 1 0.5
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1013 M268T3905 M268T65.1 268 268 268 65.0868263882135 65.0868263882135 65.0868263882135 1 1 0 4813 4.83710675278951 -1.3619788286965 0.364267639114777
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1014 M268T3274 M268T54.6 268 268 268 54.5588267801301 54.5588267801301 54.5588267801301 1 1 0 5010 1.80026403830416 -0.807984805104356 0.529556925367762
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1015 M268T3229 M268T53.8 268 268 268 53.8154815700677 53.8154815700677 53.8154815700677 1 0 1 2707 1.83464365394071 0.739705079693348 0.557314708556316
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1016 M268T3670 M268.1T61.2 268.100006103516 268.100006103516 268.100006103516 61.1688718664906 61.1120731954829 61.2256705374983 2 1 1 [5][M+1]- 2 1.74579759529771 -0.821039007252816 0.515859205830175
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1017 M268T4139 M268.1T69 268.100006103516 268.100006103516 268.100006103516 68.9884877004979 68.9884877004979 68.9884877004979 1 0 1 3952 1.35442773428554 0.348421208879889 0.762428385955594
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1018 M268T3902 M268.1T65 268.100006103516 268.100006103516 268.100006103516 65.0387550612303 65.0387550612303 65.0387550612303 1 0 1 4794 10.5090856252359 1.09266770603887 0.471161666348724
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1019 M268T3874 M268.2T64.6 268.200012207031 268.200012207031 268.200012207031 64.5736225628934 64.5531370274214 64.5941080983655 2 1 1 55 10.2959322633176 0.902155766257439 0.531348450610317
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1020 M268T3665 M268.2T61.1 268.200012207031 268.200012207031 268.200012207031 61.0776404302568 61.0413568465161 61.1139240139975 2 0 2 [6][M+1]- 2 1.54700271029731 1.92227252023786 0.271227371173362
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1021 M268T2684 M268.2T44.7 268.200012207031 268.200012207031 268.200012207031 44.734431164126 44.734431164126 44.734431164126 1 0 1 642 2.61204765950841 0.576364148782152 0.648788870950634
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1022 M268T3025 M268.2T50.4 268.200012207031 268.200012207031 268.200012207031 50.4200880135263 50.4200880135263 50.4200880135263 1 1 0 2137 Inf -1 0.5
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1023 M268T3984 M268.2T66.4 268.200012207031 268.200012207031 268.200012207031 66.3957372689248 66.3957372689248 66.3957372689248 1 0 1 4487 22.2196068873238 1.47549075390915 0.37752479636046
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1024 M268T4177 M268.2T69.6 268.200012207031 268.200012207031 268.200012207031 69.6189121737951 69.6189121737951 69.6189121737951 1 1 0 [M-H+Cl]2- 502.433 [M-2H]2- 538.409 115 2.06455004338012 -0.464061479732068 0.702880904592812
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1025 M268T2696 M268.3T44.9 268.300018310547 268.300018310547 268.300018310547 44.9351875705436 44.9351875705436 44.9351875705436 1 1 0 5068 Inf -1 0.5
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1026 M268T2933 M268.3T48.9 268.300018310547 268.300018310547 268.300018310547 48.8836065097448 48.8836065097448 48.8836065097448 1 0 1 3622 Inf 1 0.5
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1027 M268T3716 M268.3T61.9 268.300018310547 268.300018310547 268.300018310547 61.927840334887 61.927840334887 61.927840334887 1 1 0 1171 Inf -1 0.5
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1028 M268T3616 M268.3T60.3 268.300018310547 268.300018310547 268.300018310547 60.2690255167973 60.2690255167973 60.2690255167973 1 0 1 2566 1.79826234543484 -0.850677263183171 0.529095261202237
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1029 M268T4038 M268.4T67.3 268.399993896484 268.399993896484 268.399993896484 67.3077590567051 67.3077590567051 67.3077590567051 1 0 1 3757 Inf 1 0.5
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1030 M268T4122 M268.4T68.7 268.399993896484 268.399993896484 268.399993896484 68.7011070246547 68.7011070246547 68.7011070246547 1 1 0 1710 Inf -1 0.5
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1031 M269T2975 M269T49.6 269 269 269 49.5852639214567 49.5499932935581 49.6205345493554 2 1 1 211 1.12875018382789 0.10530671976527 0.926700056666813
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1032 M269T2728 M269T45.5 269 269 269 45.4708690857115 45.4249382269616 45.5167999444614 2 2 0 2469 Inf -3.42243359535978 0.18097579277166
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1033 M269T3614 M269T60.2 269 269 269 60.2273927664993 60.2273927664993 60.2273927664993 1 1 0 2575 Inf -1 0.5
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1034 M269T3593 M269T59.9 269 269 269 59.8886095353725 59.8886095353725 59.8886095353725 1 1 0 5882 2.52256829891465 -0.797577780194182 0.523057377138374
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1035 M269T2554 M269T42.6 269 269 269 42.5747778044834 42.5747778044834 42.5747778044834 1 0 1 3067 1.92274916569142 0.479796226486451 0.715144403255806
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1036 M269T3750 M269T62.5 269 269 269 62.5039961174716 62.5039961174716 62.5039961174716 1 1 0 1043 4.20718429106983 -1.60526714163558 0.278916278538036
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1037 M269T3869 M269.1T64.5 269.100006103516 269.100006103516 269.100006103516 64.4804987181726 64.4804987181726 64.4804987181726 1 1 0 [7][M]- 1360 9.82304183968896 -2.98736090871966 0.163185318570736
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1038 M269T3856 M269.1T64.3 269.100006103516 269.100006103516 269.100006103516 64.2668957772125 64.2668957772125 64.2668957772125 1 0 1 [M+Cl]- 234.125 21 1.02684548494489 0.0235157156949651 0.983475956464589
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1039 M269T3877 M269.2T64.6 269.200012207031 269.200012207031 269.200012207031 64.6202857662103 64.6202857662103 64.6202857662103 1 0 1 [8][M]- [M+Cl]- 234.225 55 2.23772875518964 0.670265667692899 0.620626107076759
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1040 M269T2873 M269.2T47.9 269.200012207031 269.200012207031 269.200012207031 47.881268787147 47.881268787147 47.881268787147 1 1 0 4758 3.22563383600845 -1.18446042150393 0.376759623919799
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1041 M269T3098 M269.2T51.6 269.200012207031 269.200012207031 269.200012207031 51.6266425318122 51.6266425318122 51.6266425318122 1 1 0 5360 3.20898578936128 -0.657203732162942 0.614859077738468
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1042 M269T4132 M269.2T68.9 269.200012207031 269.200012207031 269.200012207031 68.8592396341954 68.8592396341954 68.8592396341954 1 0 1 [M-H]- 270.209 [M-H-HCNO]- 313.207 23 2.32330564021165 1.15407073834916 0.396671835449162
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1043 M269T3863 M269.2T64.4 269.200012207031 269.200012207031 269.200012207031 64.3753428542879 64.3753428542879 64.3753428542879 1 1 0 [9][M]- 21 1.78380473042388 0.580149086446334 0.662647145296578
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1044 M269T3079 M269.2T51.3 269.200012207031 269.200012207031 269.200012207031 51.3103751358682 51.3103751358682 51.3103751358682 1 0 1 3521 Inf 1 0.5
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1045 M269T4173 M269.3T69.5 269.300018310547 269.300018310547 269.300018310547 69.5478740863448 69.4618250318358 69.6339231408538 2 1 1 [10][M]- 4367 2.12938665448297 0.518408453537377 0.689497098357722
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1046 M269T3528 M269.3T58.8 269.300018310547 269.300018310547 269.300018310547 58.8042894293739 58.8042894293739 58.8042894293739 1 1 0 384 Inf -1 0.5
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1047 M269T4183 M269.4T69.7 269.399993896484 269.399993896484 269.399993896484 69.7208450374247 69.7208450374247 69.7208450374247 1 1 0 5996 Inf -1 0.5
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1048 M270T4182 M269.9T69.7 269.899993896484 269.899993896484 269.899993896484 69.7067748896139 69.7067748896139 69.7067748896139 1 0 1 5993 Inf 3.5492338886735 0.174835915630843
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1049 M270T2950 M269.9T49.2 269.899993896484 269.899993896484 269.899993896484 49.1689841076333 49.1689841076333 49.1689841076333 1 1 0 [M-H]- 270.905 70 Inf -1 0.5
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1050 M270T4102 M270T68.4 270 270 270 68.3601872172842 68.3601872172842 68.3601872172842 1 1 0 5807 Inf -1 0.5
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1051 M270T3251 M270T54.2 270 270 270 54.1850604055558 54.1850604055558 54.1850604055558 1 0 1 1910 3.88025466064724 2.08355582794996 0.172869507767282
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1052 M270T3864 M270.1T64.4 270.100006103516 270.100006103516 270.100006103516 64.3982907460625 64.3982907460625 64.5068064879012 3 1 1 [7][M+1]- 1361 1.71187159972158 1.12028004065292 0.399747704359597
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1053 M270T3266 M270.1T54.4 270.100006103516 270.100006103516 270.100006103516 54.4252424096317 54.4252424096317 54.4252424096317 1 0 1 85 1.01305239651347 0.0168891009719796 0.988058572477875
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1054 M270T3574 M270.1T59.6 270.100006103516 270.100006103516 270.100006103516 59.5698170075672 59.5698170075672 59.5698170075672 1 1 0 1638 2.15337695428517 -0.914563488326964 0.510681844781173
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1055 M270T3876 M270.2T64.6 270.200012207031 270.200012207031 270.200012207031 64.5997909385745 64.5792961109386 64.6202857662103 2 1 1 [8][M+1]- 55 1.79247535185128 0.457843164185477 0.718121160745196
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1056 M270T3861 M270.2T64.3 270.200012207031 270.200012207031 270.200012207031 64.3490647576268 64.3490647576268 64.3490647576268 1 1 0 [9][M+1]- 21 1.20573205135982 0.226156249940276 0.855756371092973
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1057 M270T3142 M270.2T52.4 270.200012207031 270.200012207031 270.200012207031 52.3605456595381 52.3605456595381 52.3605456595381 1 0 1 [M-H]- 271.206 [M-H-NH3]- 288.233 67 3.97821519790383 1.46294246477593 0.311175511045113
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1058 M270T3593 M270.2T59.9 270.200012207031 270.200012207031 270.200012207031 59.8886095353725 59.8886095353725 59.8886095353725 1 1 0 5883 4.71021240027919 -1.0106251216283 0.477516939590944
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1059 M270T3695 M270.3T61.6 270.300018310547 270.300018310547 270.300018310547 61.5830738323386 61.5830738323386 61.5830738323386 1 0 1 585 Inf 1 0.5
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1060 M270T4175 M270.3T69.6 270.300018310547 270.300018310547 270.300018310547 69.5823539059201 69.5823539059201 69.5823539059201 1 0 1 [10][M+1]- 4381 4.77462641699434 0.773770816285349 0.572127498151236
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1061 M270T3647 M270.3T60.8 270.300018310547 270.300018310547 270.300018310547 60.7770725694601 60.7770725694601 60.7770725694601 1 0 1 1531 Inf 1 0.5
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1062 M270T4020 M270.3T67 270.300018310547 270.300018310547 270.300018310547 67.0036782387206 67.0036782387206 67.0036782387206 1 1 0 5570 Inf -1 0.5
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1063 M270T3585 M270.3T59.8 270.300018310547 270.300018310547 270.300018310547 59.7519583899682 59.7519583899682 59.7519583899682 1 0 1 1693 Inf 1 0.5
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1064 M271T3160 M270.7T52.7 270.700012207031 270.700012207031 270.700012207031 52.6613618021329 52.6613618021329 52.6613618021329 1 0 1 10 6.3051714611082 0.831013308137492 0.55314119965545
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1065 M271T4054 M270.9T67.6 270.899993896484 270.899993896484 270.899993896484 67.5667034025519 67.5667034025519 67.5667034025519 1 0 1 3416 Inf 8.96364917757393 0.0707299206792043
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1066 M271T3326 M270.9T55.4 270.899993896484 270.899993896484 270.899993896484 55.4340142637695 55.4340142637695 55.4340142637695 1 1 0 1092 Inf -1 0.5
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1067 M271T3985 M270.9T66.4 270.899993896484 270.899993896484 270.899993896484 66.4238999371341 66.4238999371341 66.4238999371341 1 0 1 4468 1.4934385419855 0.27454130619846 0.812671679176819
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1068 M271T3228 M271T53.8 271 271 271 53.8070128056854 53.8070128056854 53.8070128056854 1 1 0 2708 3.14835679408747 -5.43520832878682 0.0601984819613026
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1069 M271T2613 M271T43.6 271 271 271 43.5540014146668 43.5540014146668 43.5540014146668 1 0 1 214 1.08291050865283 0.0697654549226286 0.953043768203972
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1070 M271T3572 M271.2T59.5 271.200012207031 271.200012207031 271.200012207031 59.5263642473059 59.5162516668273 59.5364768277846 2 1 1 1653 1.51427126491716 -0.412979918575612 0.722622216034976
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1071 M271T3137 M271.2T52.3 271.200012207031 271.200012207031 271.200012207031 52.2798926419632 52.2798926419632 52.2798926419632 1 1 0 [M-H-CH4]- 288.233 67 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1072 M271T3104 M271.2T51.7 271.200012207031 271.200012207031 271.200012207031 51.7296528300039 51.7296528300039 51.7296528300039 1 1 0 3127 3.09802477137555 -0.644471361203155 0.619944952706889
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1073 M271T3432 M271.2T57.2 271.200012207031 271.200012207031 271.200012207031 57.1946406784847 57.1946406784847 57.1946406784847 1 1 0 4915 3.21802042827569 -1.35019090839594 0.316923607898046
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1074 M271T3258 M271.3T54.3 271.300018310547 271.300018310547 271.300018310547 54.3002771169981 54.3002771169981 54.3002771169981 1 1 0 3612 1.69180057902743 -0.564046064444268 0.634869954331594
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1075 M271T3906 M271.3T65.1 271.300018310547 271.300018310547 271.300018310547 65.1078690319994 65.1078690319994 65.1078690319994 1 0 1 4814 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1076 M272T3913 M271.9T65.2 271.899993896484 271.899993896484 271.899993896484 65.2124456121873 65.195563930308 65.2293272940666 2 1 1 4815 1.06023654060248 0.0413306644470873 0.970798627285825
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1077 M272T3453 M272T57.5 272 272 272 57.5441682173545 57.4690606377124 57.6192757969965 2 2 0 3335 Inf -19.8449673895983 0.0320525472017867
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1078 M272T2776 M272T46.3 272 272 272 46.2720811746808 46.2720811746808 46.2720811746808 1 1 0 151 Inf -1.59917034388479 0.35576378821936
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1079 M272T3120 M272.1T52 272.100006103516 272.100006103516 272.100006103516 52.0059194734082 51.96636129698 52.0135865851257 3 2 1 146 1.58655181435358 -0.799184794849684 0.569028475517456
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1080 M272T2747 M272.1T45.8 272.100006103516 272.100006103516 272.100006103516 45.7824850120284 45.7824850120284 45.7824850120284 1 0 1 4343 1.03820349629571 -0.0487547594581695 0.966047561956759
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1081 M272T4132 M272.2T68.9 272.200012207031 272.200012207031 272.200012207031 68.8596528462587 68.8596528462587 68.8596528462587 1 1 0 [M-H-NaOH]- 313.207 23 Inf -2.41375518825218 0.250042741515881
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1082 M272T2738 M272.2T45.6 272.200012207031 272.200012207031 272.200012207031 45.628120700158 45.628120700158 45.628120700158 1 0 1 4428 Inf 1.06053148957885 0.481303627814113
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1083 M272T2668 M272.3T44.5 272.300018310547 272.300018310547 272.300018310547 44.4659690298216 44.4659690298216 44.4659690298216 1 0 1 4037 Inf 1 0.5
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1084 M272T3399 M272.4T56.7 272.399993896484 272.399993896484 272.399993896484 56.6506000648704 56.6506000648704 56.6506000648704 1 1 0 1310 4.05683699818243 -0.731603798491143 0.586859602185556
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1085 M273T3885 M272.8T64.7 272.800018310547 272.800018310547 272.800018310547 64.7438197407878 64.7438197407878 64.7438197407878 1 1 0 2227 6.37162107736414 -0.832858967371213 0.552544624918383
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1086 M273T4133 M272.8T68.9 272.800018310547 272.800018310547 272.800018310547 68.891533101347 68.891533101347 68.891533101347 1 0 1 3963 Inf 1 0.5
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1087 M273T3300 M272.9T55 272.899993896484 272.899993896484 272.899993896484 54.9933466106085 54.947299031165 55.039394190052 2 1 1 2595 1.20847425968358 -0.132907257123061 0.906808222905342
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1088 M273T2952 M272.9T49.2 272.899993896484 272.899993896484 272.899993896484 49.2066988534406 49.2066988534406 49.2066988534406 1 1 0 3180 7.54245902398367 -1.20211877468214 0.431589664604872
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1089 M273T3383 M272.9T56.4 272.899993896484 272.899993896484 272.899993896484 56.3888125818254 56.3888125818254 56.3888125818254 1 0 1 1550 Inf 13.6425427018569 0.0465809989713235
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1090 M273T2979 M272.9T49.6 272.899993896484 272.899993896484 272.899993896484 49.6463827971928 49.6463827971928 49.6463827971928 1 1 0 5281 Inf -1 0.5
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1091 M273T2612 M272.9T43.5 272.899993896484 272.899993896484 272.899993896484 43.5279180813335 43.5279180813335 43.5279180813335 1 0 1 4006 1.60983955199038 0.321790049760921 0.783295062448934
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1092 M273T3453 M273T57.5 273 273 273 57.547819664993 57.547819664993 57.547819664993 1 1 0 74 1.3386546780344 -0.389194396661347 0.746068983147572
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1093 M273T3144 M273T52.4 273 273 273 52.4003494414348 52.4003494414348 52.4003494414348 1 0 1 67 2.00225479525302 0.525165849875621 0.66098787582811
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1094 M273T3095 M273T51.6 273 273 273 51.5751785922493 51.5751785922493 51.5751785922493 1 1 0 166 3.17909351148373 -0.950230052895786 0.511997708927381
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1095 M273T2921 M273.2T48.7 273.200012207031 273.200012207031 273.200012207031 48.6781367079133 48.6781367079133 48.6781367079133 1 0 1 2867 Inf 1 0.5
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1096 M273T2876 M273.2T47.9 273.200012207031 273.200012207031 273.200012207031 47.9277143465266 47.9277143465266 47.9277143465266 1 0 1 4727 Inf 1 0.5
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1097 M273T3410 M273.2T56.8 273.200012207031 273.200012207031 273.200012207031 56.8268960641633 56.8268960641633 56.8268960641633 1 1 0 2558 1.76315489631628 -1.04808854883071 0.405899538768738
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1098 M273T3616 M273.3T60.3 273.300018310547 273.300018310547 273.300018310547 60.270616510631 60.270616510631 60.270616510631 1 0 1 2576 Inf 1 0.5
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1099 M273T3510 M273.4T58.5 273.399993896484 273.399993896484 273.399993896484 58.4965078947001 58.4965078947001 58.4965078947001 1 0 1 4517 1.82630394496522 -0.699279234213709 0.568227193617288
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1100 M273T3538 M273.4T59 273.399993896484 273.399993896484 273.399993896484 58.9605315141229 58.9605315141229 58.9605315141229 1 0 1 1945 1.05089866149559 0.0473159597439567 0.969381230458417
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1101 M274T3527 M273.7T58.8 273.700012207031 273.700012207031 273.700012207031 58.7793992939225 58.7793992939225 58.7793992939225 1 0 1 385 1.73723494144048 0.522850690556259 0.692395914111537
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1102 M274T4020 M273.8T67 273.800018310547 273.800018310547 273.800018310547 66.9964991996827 66.9964991996827 66.9964991996827 1 0 1 5571 3.57326808894733 1.12756691961253 0.412148780828348
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1103 M274T2636 M273.9T43.9 273.899993896484 273.899993896484 273.899993896484 43.9407608207897 43.9407608207897 43.9407608207897 1 1 0 2614 2.37917487757734 -1.33561187421565 0.339982554048654
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1104 M274T3314 M273.9T55.2 273.899993896484 273.899993896484 273.899993896484 55.2305163847596 55.2305163847596 55.2305163847596 1 0 1 516 Inf 1.53164316556686 0.368225133845118
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1105 M274T3626 M273.9T60.4 273.899993896484 273.899993896484 273.899993896484 60.4314954588001 60.4314954588001 60.4314954588001 1 1 0 1606 1.07951404949015 -0.143389131540556 0.906793268386521
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1106 M274T3252 M273.9T54.2 273.899993896484 273.899993896484 273.899993896484 54.1948758534037 54.1948758534037 54.1948758534037 1 1 0 1911 Inf -1 0.5
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1107 M274T3970 M273.9T66.2 273.899993896484 273.899993896484 273.899993896484 66.1663018543245 66.1663018543245 66.1663018543245 1 1 0 2009 2.78122856176756 -2.17004815086897 0.184881666712886
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1108 M274T3851 M273.9T64.2 273.899993896484 273.899993896484 273.899993896484 64.1880616961356 64.1880616961356 64.1880616961356 1 0 1 21 6.71743906520889 1.68439329354861 0.310615931276057
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1109 M274T3110 M274T51.8 274 274 274 51.832783151223 51.832783151223 51.832783151223 1 1 0 5341 Inf -3.99767419245927 0.156045405801111
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1110 M274T3968 M274T66.1 274 274 274 66.1329293615875 66.1329293615875 66.1329293615875 1 0 1 2010 3.18786436604176 0.908753921325416 0.492512038395969
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1111 M274T3957 M274.1T65.9 274.100006103516 274.100006103516 274.100006103516 65.9489450914091 65.9489450914091 65.9489450914091 1 0 1 5392 11.2137172519295 1.03303071047202 0.48688744788047
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1112 M274T3900 M274.2T65 274.200012207031 274.200012207031 274.200012207031 64.9959186851761 64.9959186851761 64.9959186851761 1 1 0 4799 1.35957010149497 -0.213049604078036 0.852564965633637
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1113 M274T3046 M274.2T50.8 274.200012207031 274.200012207031 274.200012207031 50.7592682682344 50.7592682682344 50.7592682682344 1 1 0 141 1.29962924919237 -0.238703705409208 0.834979231142061
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1114 M274T2846 M274.2T47.4 274.200012207031 274.200012207031 274.200012207031 47.4264275431257 47.4264275431257 47.4264275431257 1 1 0 [M+Cl]- 239.225 [M-H-C4H4]- 327.233 181 1.97533620296832 -0.66473780024388 0.619684371722301
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1115 M274T2702 M274.2T45 274.200012207031 274.200012207031 274.200012207031 45.0385139805433 45.0385139805433 45.0385139805433 1 1 0 4859 5.53748751350071 -0.911892087334881 0.519623621685021
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1116 M274T2602 M274.2T43.4 274.200012207031 274.200012207031 274.200012207031 43.3596881126804 43.3596881126804 43.3596881126804 1 1 0 2885 1.0397689411228 0.0275673819546313 0.980513987857982
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1117 M274T3791 M274.2T63.2 274.200012207031 274.200012207031 274.200012207031 63.187320477587 63.187320477587 63.187320477587 1 0 1 4450 5.73810152636023 1.25284161820868 0.407637984388692
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1118 M274T3996 M274.2T66.6 274.200012207031 274.200012207031 274.200012207031 66.6059855649146 66.6059855649146 66.6059855649146 1 0 1 5437 Inf 1 0.5
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1119 M274T2778 M274.2T46.3 274.200012207031 274.200012207031 274.200012207031 46.2937117304691 46.2937117304691 46.2937117304691 1 0 1 4274 Inf 1 0.5
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1120 M274T3682 M274.3T61.4 274.300018310547 274.300018310547 274.300018310547 61.3634922984121 61.3634922984121 61.3634922984121 1 1 0 [M-H-C2F4]- 375.305 5 Inf -1.99874349888001 0.295327298436697
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1121 M274T3410 M274.3T56.8 274.300018310547 274.300018310547 274.300018310547 56.8330184481852 56.8330184481852 56.8330184481852 1 1 0 50 1.61123118254859 -0.917514575166172 0.480164436289969
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1122 M274T4031 M274.4T67.2 274.399993896484 274.399993896484 274.399993896484 67.1867913522353 67.1867913522353 67.1867913522353 1 1 0 3758 Inf -1 0.5
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1123 M274T3192 M274.5T53.2 274.5 274.5 274.5 53.208244640453 53.208244640453 53.208244640453 1 0 1 1765 Inf 1.2157182318813 0.438214597833095
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1124 M275T3180 M274.7T53 274.700012207031 274.700012207031 274.700012207031 52.996517665389 52.996517665389 52.996517665389 1 0 1 2184 3.97737794549893 0.90006671814495 0.512380487351445
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1125 M275T2684 M274.9T44.7 274.899993896484 274.899993896484 274.899993896484 44.734431164126 44.734431164126 44.734431164126 1 0 1 631 1.39526931943785 -0.462684149580747 0.705404812176954
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1126 M275T4128 M274.9T68.8 274.899993896484 274.899993896484 274.899993896484 68.8074238019644 68.8074238019644 68.8074238019644 1 1 0 [M-H]- 275.91 23 12.2174906226501 -1.3904983714992 0.391813968116392
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1127 M275T3119 M274.9T52 274.899993896484 274.899993896484 274.899993896484 51.9908895013549 51.9908895013549 51.9908895013549 1 0 1 5029 Inf 1 0.5
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1128 M275T2852 M274.9T47.5 274.899993896484 274.899993896484 274.899993896484 47.5300482053627 47.5300482053627 47.5300482053627 1 1 0 4252 Inf -1 0.5
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1129 M275T3531 M274.9T58.8 274.899993896484 274.899993896484 274.899993896484 58.8468372471634 58.8468372471634 58.8468372471634 1 1 0 1946 5.20301205225027 -0.793284751472928 0.565539349390432
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1130 M275T3358 M274.9T56 274.899993896484 274.899993896484 274.899993896484 55.9636597330772 55.9636597330772 55.9636597330772 1 0 1 718 Inf 1 0.5
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1131 M275T2802 M275T46.7 275 275 275 46.6963068987933 46.6963068987933 46.6963068987933 1 1 0 5180 1.32220897284222 -0.236647579235458 0.848766134348887
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1132 M275T3459 M275T57.7 275 275 275 57.654467057015 57.654467057015 57.654467057015 1 0 1 1267 1.65294226946035 1.2050954171843 0.431288374879638
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1133 M275T3998 M275.1T66.6 275.100006103516 275.100006103516 275.100006103516 66.6324667908487 66.6324667908487 66.6324667908487 1 0 1 6153 Inf 1 0.5
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1134 M275T4043 M275.1T67.4 275.100006103516 275.100006103516 275.100006103516 67.3854824959637 67.3854824959637 67.3854824959637 1 0 1 5304 1.17685448176477 0.114517830019522 0.919528429083369
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1135 M275T3828 M275.2T63.8 275.200012207031 275.200012207031 275.200012207031 63.8030793428748 63.7465257390256 63.859632946724 2 1 1 1874 1.26444662095988 -0.164039894997377 0.885482862958168
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1136 M275T2900 M275.2T48.3 275.200012207031 275.200012207031 275.200012207031 48.341546399444 48.341546399444 48.341546399444 1 1 0 4773 3.94703546683944 -0.723777422063366 0.589677093437565
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1137 M275T2920 M275.2T48.7 275.200012207031 275.200012207031 275.200012207031 48.671416116166 48.671416116166 48.671416116166 1 0 1 2868 Inf 1.33957708857968 0.408238844276994
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1138 M275T3661 M275.2T61 275.200012207031 275.200012207031 275.200012207031 61.0201672128364 61.0201672128364 61.0201672128364 1 1 0 443 1.07011874936078 -0.0660008307995079 0.95454338122888
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1139 M275T2711 M275.2T45.2 275.200012207031 275.200012207031 275.200012207031 45.1820594489337 45.1820594489337 45.1820594489337 1 1 0 2470 2.31853188555693 -0.522192274822415 0.673833905108404
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1140 M275T4127 M275.2T68.8 275.200012207031 275.200012207031 275.200012207031 68.7798457445238 68.7798457445238 68.7798457445238 1 1 0 1477 1.23895498574367 -0.362897677552991 0.758386155521891
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1141 M275T3219 M275.2T53.7 275.200012207031 275.200012207031 275.200012207031 53.6543301787004 53.6543301787004 53.6543301787004 1 1 0 4300 1.57586822749231 -0.364234695858249 0.77701498121063
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1142 M275T2659 M275.2T44.3 275.200012207031 275.200012207031 275.200012207031 44.3179413257884 44.3179413257884 44.3179413257884 1 0 1 4038 Inf 1 0.5
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1143 M275T3697 M275.3T61.6 275.300018310547 275.300018310547 275.300018310547 61.6193203628295 61.6193203628295 61.6193203628295 1 0 1 5480 Inf 1 0.5
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1144 M275T4116 M275.3T68.6 275.300018310547 275.300018310547 275.300018310547 68.5984869938564 68.5984869938564 68.5984869938564 1 1 0 2290 Inf -1 0.5
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1145 M275T3926 M275.3T65.4 275.300018310547 275.300018310547 275.300018310547 65.4304591715761 65.4304591715761 65.4304591715761 1 1 0 2980 Inf -1 0.5
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1146 M275T3514 M275.3T58.6 275.300018310547 275.300018310547 275.300018310547 58.568217652388 58.568217652388 58.568217652388 1 1 0 386 1.71489802324084 -0.360120424694096 0.7603862513414
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1147 M275T3966 M275.3T66.1 275.300018310547 275.300018310547 275.300018310547 66.1066461909734 66.1066461909734 66.1066461909734 1 0 1 2011 4.44436469456916 0.756092968281861 0.578215970770996
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1148 M276T3400 M275.5T56.7 275.5 275.5 275.5 56.6702028061549 56.6702028061549 56.6702028061549 1 0 1 1311 1.89868972908732 1.36203771538585 0.330487598810397
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1149 M276T3340 M275.8T55.7 275.800018310547 275.800018310547 275.800018310547 55.6685046526721 55.6685046526721 55.6685046526721 1 0 1 5509 Inf 1 0.5
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1150 M276T3077 M275.9T51.3 275.899993896484 275.899993896484 275.899993896484 51.2830565541472 51.2830565541472 51.2830565541472 1 1 0 182 Inf -1 0.5
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1151 M276T3716 M275.9T61.9 275.899993896484 275.899993896484 275.899993896484 61.927840334887 61.927840334887 61.927840334887 1 1 0 1172 Inf -1 0.5
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1152 M276T3765 M275.9T62.7 275.899993896484 275.899993896484 275.899993896484 62.7423679484534 62.7423679484534 62.7423679484534 1 1 0 970 1.57718181856556 0.36594957580485 0.750670971803501
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1153 M276T3867_1 M275.9T64.4_1 275.899993896484 275.899993896484 275.899993896484 64.4483155999427 64.4483155999427 64.4483155999427 1 1 0 [M-H-C5H12]- 349.007 21 8.82318014421633 -0.95188537808119 0.5119541454644
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1154 M276T3496 M276T58.3 276 276 276 58.2713130322852 58.2713130322852 58.2713130322852 1 1 0 3506 2.28128603784418 -2.15276946661694 0.273360572570625
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1155 M276T3867_2 M276T64.5_2 276 276 276 64.4542135019796 64.4542135019796 64.4542135019796 1 1 0 1362 1.83932058013056 -0.400901030721009 0.736994089227671
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1156 M276T3778 M276T63 276 276 276 62.9612369080127 62.9612369080127 62.9612369080127 1 1 0 3666 2.22971367962816 -1.36159761216946 0.319535021056024
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1157 M276T4109 M276.2T68.5 276.200012207031 276.200012207031 276.200012207031 68.4912677521327 68.4912677521327 68.4912677521327 1 1 0 43 1.85597589062485 -0.463973507476367 0.702709432924163
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1158 M276T4005 M276.2T66.8 276.200012207031 276.200012207031 276.200012207031 66.7540323879587 66.7540323879587 66.7540323879587 1 1 0 217 Inf -1 0.5
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1159 M276T2603 M276.2T43.4 276.200012207031 276.200012207031 276.200012207031 43.3808995766058 43.3808995766058 43.3808995766058 1 1 0 5243 2.41113060917539 -0.657847489006167 0.596250811045298
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1160 M276T3959 M276.2T66 276.200012207031 276.200012207031 276.200012207031 65.9752288299682 65.9752288299682 65.9752288299682 1 0 1 5452 3.02642514835286 0.635769603546046 0.623474327254434
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1161 M276T3732 M276.3T62.2 276.300018310547 276.300018310547 276.300018310547 62.193361175757 62.193361175757 62.193361175757 1 0 1 3552 5.0014029801698 0.784528017757216 0.568479400212192
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1162 M276T3768 M276.3T62.8 276.300018310547 276.300018310547 276.300018310547 62.7955019435712 62.7955019435712 62.7955019435712 1 1 0 971 Inf -1.62486149527902 0.351218690599776
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1163 M276T3503 M276.3T58.4 276.300018310547 276.300018310547 276.300018310547 58.3779645408911 58.3779645408911 58.3779645408911 1 0 1 3368 9.43908477481036 0.889082004576643 0.534696393137146
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1164 M276T3561 M276.3T59.4 276.300018310547 276.300018310547 276.300018310547 59.3550896218511 59.3550896218511 59.3550896218511 1 1 0 1654 2.83772692601012 -1.2722813037795 0.331369829791931
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1165 M276T3697 M276.4T61.6 276.399993896484 276.399993896484 276.399993896484 61.6160695906516 61.6160695906516 61.6160695906516 1 1 0 5481 13.8335085526949 -1.02067352860629 0.491787891203815
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1166 M276T3521 M276.4T58.7 276.399993896484 276.399993896484 276.399993896484 58.6890071058393 58.6890071058393 58.6890071058393 1 0 1 387 Inf 1 0.5
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1167 M276T3666 M276.4T61.1 276.399993896484 276.399993896484 276.399993896484 61.0975340621041 61.0975340621041 61.0975340621041 1 1 0 444 4.34403176655601 -0.75017877580323 0.58028035937144
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1168 M276T2581 M276.4T43 276.399993896484 276.399993896484 276.399993896484 43.0206214460137 43.0206214460137 43.0206214460137 1 1 0 5684 Inf -1 0.5
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1169 M276T3327 M276.5T55.5 276.5 276.5 276.5 55.4555890568 55.4555890568 55.4555890568 1 1 0 1093 2.48118491312848 -0.59348735144104 0.657169634989045
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1170 M276T3683 M276.5T61.4 276.5 276.5 276.5 61.3884849349378 61.3884849349378 61.3884849349378 1 1 0 5 Inf -1 0.5
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1171 M276T4012 M276.5T66.9 276.5 276.5 276.5 66.8687605846931 66.8687605846931 66.8687605846931 1 0 1 5239 3.99949134182788 0.72757058581422 0.588308093979749
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1172 M277T3102 M276.6T51.7 276.600006103516 276.600006103516 276.600006103516 51.7038894781849 51.7038894781849 51.7038894781849 1 1 0 3128 Inf -1 0.5
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1173 M277T3312 M276.7T55.2 276.700012207031 276.700012207031 276.700012207031 55.1955103528699 55.1955103528699 55.1955103528699 1 0 1 517 Inf 1 0.5
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1174 M277T3547 M276.7T59.1 276.700012207031 276.700012207031 276.700012207031 59.1207535918257 59.1207535918257 59.1207535918257 1 1 0 2323 Inf -1 0.5
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1175 M277T3992 M276.7T66.5 276.700012207031 276.700012207031 276.700012207031 66.5271438369514 66.5271438369514 66.5271438369514 1 0 1 4488 Inf 1 0.5
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1176 M277T3279 M276.8T54.6 276.800018310547 276.800018310547 276.800018310547 54.6431908571071 54.6431908571071 54.6431908571071 1 1 0 1235 Inf -1.58356174514294 0.358576810571612
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1177 M277T3291 M276.8T54.9 276.800018310547 276.800018310547 276.800018310547 54.854458986636 54.854458986636 54.854458986636 1 0 1 2104 Inf 1 0.5
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1178 M277T4107 M277T68.4 277 277 277 68.4448820916184 68.4448820916184 68.4448820916184 1 0 1 2277 5.33126866110408 1.75604043142689 0.329425679735407
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1179 M277T3838 M277.1T64 277.100006103516 277.100006103516 277.100006103516 63.9744501078985 63.9184995221688 64.0304006936283 2 1 1 69 2.30364434978435 1.09297615167006 0.39189056405863
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1180 M277T3506 M277.1T58.4 277.100006103516 277.100006103516 277.100006103516 58.4295523368889 58.4295523368889 58.4295523368889 1 0 1 3362 1.41197580812843 -0.411982276563362 0.720480929097793
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1181 M277T2536 M277.1T42.3 277.100006103516 277.100006103516 277.100006103516 42.2617944711501 42.2617944711501 42.2617944711501 1 0 1 210 1.57925710750348 -0.30988933241459 0.790580195782676
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1182 M277T4183 M277.1T69.7 277.100006103516 277.100006103516 277.100006103516 69.7208450374247 69.7208450374247 69.7208450374247 1 1 0 5997 1.04995728766621 0.034454036762898 0.975651118492605
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1183 M277T3842 M277.2T64 277.200012207031 277.200012207031 277.200012207031 64.034783141811 63.9909531049038 64.0786131787182 2 1 1 21 2.7769123659004 0.647235989913556 0.629265348173143
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1184 M277T4116 M277.2T68.6 277.200012207031 277.200012207031 277.200012207031 68.6007140561879 68.6007140561879 68.6007140561879 1 0 1 4538 3.63051262761237 2.35501979479924 0.174599844638093
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1185 M277T3105 M277.2T51.8 277.200012207031 277.200012207031 277.200012207031 51.7563629611898 51.7563629611898 51.7563629611898 1 1 0 3129 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1186 M277T3695 M277.2T61.6 277.200012207031 277.200012207031 277.200012207031 61.5906488773139 61.5906488773139 61.5906488773139 1 1 0 5 8.41686809933722 -0.875036774551236 0.539106547349929
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1187 M277T2752 M277.2T45.9 277.200012207031 277.200012207031 277.200012207031 45.8690289648392 45.8690289648392 45.8690289648392 1 1 0 4349 5.61424603171492 -0.809146372524025 0.560276805297347
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1188 M277T3413 M277.2T56.9 277.200012207031 277.200012207031 277.200012207031 56.8855316512942 56.8855316512942 56.8855316512942 1 1 0 854 Inf -1.95320644232717 0.301238636459564
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1189 M277T4032 M277.2T67.2 277.200012207031 277.200012207031 277.200012207031 67.2033576072657 67.2033576072657 67.2033576072657 1 1 0 3759 13.3250379033089 -0.922359588712037 0.524317726318588
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1190 M277T4083 M277.3T68.1 277.300018310547 277.300018310547 277.300018310547 68.0580399145009 68.0580399145009 68.0580399145009 1 0 1 5732 1.28084625491839 -0.276059714357988 0.826192739616202
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1191 M277T4070 M277.3T67.8 277.300018310547 277.300018310547 277.300018310547 67.8408110616581 67.8408110616581 67.8408110616581 1 0 1 3871 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1192 M277T3206 M277.3T53.4 277.300018310547 277.300018310547 277.300018310547 53.4268624124874 53.4268624124874 53.4268624124874 1 1 0 4301 6.93521515231177 -3.12720196326382 0.111112237662299
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1193 M277T4015 M277.4T66.9 277.399993896484 277.399993896484 277.399993896484 66.9127161374564 66.9127161374564 66.9127161374564 1 1 0 261 2.57098717288869 -0.569483339069535 0.651863843419746
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1194 M277T4036 M277.4T67.3 277.399993896484 277.399993896484 277.399993896484 67.2652684988748 67.2652684988748 67.2652684988748 1 1 0 3760 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1195 M278T3307 M277.5T55.1 277.5 277.5 277.5 55.116771308306 55.116771308306 55.116771308306 1 0 1 518 Inf 1 0.5
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1196 M278T3332 M277.6T55.5 277.600006103516 277.600006103516 277.600006103516 55.5342499420934 55.5342499420934 55.5342499420934 1 1 0 1094 Inf -1 0.5
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1197 M278T3523 M277.6T58.7 277.600006103516 277.600006103516 277.600006103516 58.7145324371275 58.7145324371275 58.7145324371275 1 1 0 388 Inf -1 0.5
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1198 M278T4085 M277.8T68.1 277.800018310547 277.800018310547 277.800018310547 68.0838679892212 68.0838679892212 68.0838679892212 1 0 1 5718 Inf 1 0.5
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1199 M278T3716 M277.9T61.9 277.899993896484 277.899993896484 277.899993896484 61.9276477145689 61.9068278638518 61.9484675652859 2 1 1 1154 1.3403988829023 -0.249677481277401 0.842160829563736
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1200 M278T2908 M277.9T48.5 277.899993896484 277.899993896484 277.899993896484 48.4711114394429 48.4711114394429 48.4711114394429 1 1 0 2766 Inf -1 0.5
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1201 M278T2568 M277.9T42.8 277.899993896484 277.899993896484 277.899993896484 42.8070829099392 42.8070829099392 42.8070829099392 1 1 0 5292 Inf -1 0.5
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1202 M278T2634 M277.9T43.9 277.899993896484 277.899993896484 277.899993896484 43.8957819894929 43.8957819894929 43.8957819894929 1 0 1 2615 Inf 1 0.5
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1203 M278T3760 M277.9T62.7 277.899993896484 277.899993896484 277.899993896484 62.6610953289903 62.6610953289903 62.6610953289903 1 0 1 936 1.15587604814462 0.101985486501817 0.928242218191103
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1204 M278T3619 M277.9T60.3 277.899993896484 277.899993896484 277.899993896484 60.3104497552185 60.3104497552185 60.3104497552185 1 1 0 [M+Cl]- 242.929 [M-H]- 278.911 2561 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1205 M278T3957 M277.9T66 277.899993896484 277.899993896484 277.899993896484 65.9569495268011 65.9569495268011 65.9569495268011 1 1 0 5393 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1206 M278T3043 M277.9T50.7 277.899993896484 277.899993896484 277.899993896484 50.7155613702063 50.7155613702063 50.7155613702063 1 0 1 3210 Inf 1 0.5
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1207 M278T3192 M278.1T53.2 278.100006103516 278.100006103516 278.100006103516 53.2042049281143 53.2001652157757 53.208244640453 2 1 1 30 17.3181117977187 -0.940690038811295 0.518615777448511
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1208 M278T3447 M278.1T57.4 278.100006103516 278.100006103516 278.100006103516 57.4427244480407 57.4427244480407 57.4427244480407 1 1 0 62 4.72060090291182 -0.939232102658364 0.515781363860378
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1209 M278T2728 M278.2T45.5 278.200012207031 278.200012207031 278.200012207031 45.4732279826352 45.4732279826352 45.4732279826352 1 0 1 2459 3.06318355259898 -0.672716909062684 0.622561375540402
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1210 M278T3732 M278.2T62.2 278.200012207031 278.200012207031 278.200012207031 62.206314950523 62.206314950523 62.206314950523 1 1 0 3553 1.81148263742142 0.485779584358624 0.678488726249569
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1211 M278T3437 M278.2T57.3 278.200012207031 278.200012207031 278.200012207031 57.2838294785555 57.2838294785555 57.2838294785555 1 1 0 137 15.8437296412674 -1.41301413496072 0.389037170839864
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1212 M278T3836 M278.2T63.9 278.200012207031 278.200012207031 278.200012207031 63.938392987768 63.938392987768 63.938392987768 1 0 1 3350 3.56438330077236 0.79347855863702 0.56183549835805
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1213 M278T3275 M278.2T54.6 278.200012207031 278.200012207031 278.200012207031 54.5833089406657 54.5833089406657 54.5833089406657 1 0 1 5011 2.8101518150515 1.04507700249181 0.48071825947269
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1214 M278T2553 M278.3T42.5 278.300018310547 278.300018310547 278.300018310547 42.5462495766058 42.5462495766058 42.5462495766058 1 1 0 3068 Inf -1 0.5
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1215 M278T2678 M278.3T44.6 278.300018310547 278.300018310547 278.300018310547 44.6340649183402 44.6340649183402 44.6340649183402 1 1 0 643 Inf -1 0.5
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1216 M278T3609 M278.3T60.1 278.300018310547 278.300018310547 278.300018310547 60.1422276798095 60.1422276798095 60.1422276798095 1 0 1 4671 Inf 1 0.5
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1217 M278T4018 M278.3T67 278.300018310547 278.300018310547 278.300018310547 66.9705310443042 66.9705310443042 66.9705310443042 1 0 1 6207 Inf 1 0.5
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1218 M278T3382 M278.3T56.4 278.300018310547 278.300018310547 278.300018310547 56.3669820347315 56.3669820347315 56.3669820347315 1 1 0 25 Inf -1.12922091544523 0.461411325111997
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1219 M278T3141 M278.4T52.3 278.399993896484 278.399993896484 278.399993896484 52.347929755268 52.347929755268 52.347929755268 1 0 1 3115 1.32210660895519 0.19430947004286 0.865047228114449
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1220 M278T3953 M278.4T65.9 278.399993896484 278.399993896484 278.399993896484 65.878622078997 65.878622078997 65.878622078997 1 1 0 5448 Inf -1 0.5
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1221 M278T3157 M278.4T52.6 278.399993896484 278.399993896484 278.399993896484 52.6162377405476 52.6162377405476 52.6162377405476 1 1 0 826 Inf -1 0.5
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1222 M279T4163 M278.8T69.4 278.800018310547 278.800018310547 278.800018310547 69.3759841090364 69.3759841090364 69.3759841090364 1 0 1 6034 Inf 1 0.5
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1223 M279T4059 M278.9T67.6 278.899993896484 278.899993896484 278.899993896484 67.6443327112656 67.6443327112656 67.6443327112656 1 0 1 4690 2.45227520174755 0.590465414185366 0.659505455855004
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1224 M279T3775 M278.9T62.9 278.899993896484 278.899993896484 278.899993896484 62.9089410225797 62.9089410225797 62.9089410225797 1 1 0 221 Inf -1 0.5
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1225 M279T2577 M278.9T43 278.899993896484 278.899993896484 278.899993896484 42.9541014146668 42.9541014146668 42.9541014146668 1 0 1 4070 Inf 1 0.5
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1226 M279T2789 M279T46.5 279 279 279 46.4889903463323 46.3970271514464 46.574685052508 4 2 2 [11][M]- [M-H-C2N]- 318.007 [M-H-F2]- 318.007 12 1.02768463708689 0.0926503948889184 0.934704644378855
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1227 M279T2829 M279.1T47.1 279.100006103516 279.100006103516 279.100006103516 47.1495479969475 47.1495479969475 47.1495479969475 1 1 0 4575 1.50370457395065 -0.27892793319575 0.80989462680315
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1228 M279T4466 M279.1T74.4 279.100006103516 279.100006103516 279.100006103516 74.4341191816509 74.4341191816509 74.4341191816509 1 0 1 330 Inf 1 0.5
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1229 M279T3219 M279.1T53.7 279.100006103516 279.100006103516 279.100006103516 53.6560800591183 53.6560800591183 53.6560800591183 1 1 0 4281 1.10815151989387 0.178780601448165 0.874589779680826
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1230 M279T3353 M279.2T55.9 279.200012207031 279.200012207031 279.200012207031 55.8838787788566 55.8838787788566 55.8838787788566 1 0 1 719 Inf 1 0.5
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1231 M279T3547 M279.2T59.1 279.200012207031 279.200012207031 279.200012207031 59.1164907588542 59.1164907588542 59.1164907588542 1 0 1 2334 Inf 1 0.5
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1232 M279T3978 M279.2T66.3 279.200012207031 279.200012207031 279.200012207031 66.2933347129474 66.2933347129474 66.2933347129474 1 0 1 1995 Inf 1 0.5
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1233 M279T3251 M279.3T54.2 279.300018310547 279.300018310547 279.300018310547 54.1855330204086 54.1855330204086 54.1855330204086 1 1 0 [M-H-CH2O]- 310.326 34 1.47264696100685 -0.380626352075122 0.748322391012691
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1234 M279T3256 M279.4T54.3 279.399993896484 279.399993896484 279.399993896484 54.2585549583711 54.2513997954515 54.2657101212908 2 1 1 34 1.5105242684877 0.281817553645077 0.808070653982
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1235 M279T4454 M279.4T74.2 279.399993896484 279.399993896484 279.399993896484 74.2385537127173 74.2385537127173 74.2385537127173 1 1 0 295 Inf -1 0.5
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1236 M280T3259 M279.8T54.3 279.800018310547 279.800018310547 279.800018310547 54.3186216158555 54.3186216158555 54.3186216158555 2 0 1 3597 3.06875069147841 0.640961601866007 0.621363200539613
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1237 M280T3916 M279.8T65.3 279.800018310547 279.800018310547 279.800018310547 65.2717967632908 65.2717967632908 65.2717967632908 1 1 0 5136 Inf -1 0.5
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1238 M280T3883 M279.8T64.7 279.800018310547 279.800018310547 279.800018310547 64.7174644244759 64.7174644244759 64.7174644244759 1 1 0 2228 9.46577705954494 -0.889406884525449 0.534594656486317
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1239 M280T3513 M279.9T58.5 279.899993896484 279.899993896484 279.899993896484 58.5477781155514 58.5477781155514 58.5477781155514 1 0 1 4518 Inf 1.44430252742341 0.38553098033375
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1240 M280T4118 M279.9T68.6 279.899993896484 279.899993896484 279.899993896484 68.6287722971562 68.6287722971562 68.6287722971562 1 0 1 4549 Inf 2.18185763472335 0.27359080410272
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1241 M280T2791 M280T46.5 280 280 280 46.5086522418877 46.4576896496466 46.5228740308843 4 2 2 [11][M+1]- 12 1.11347701899179 -0.495084550733494 0.682763480685249
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1242 M280T2985 M280T49.7 280 280 280 49.7419670958824 49.7419670958824 49.7419670958824 1 1 0 4623 1.74989757999499 -1.25620980629351 0.422587473286245
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1243 M280T4202 M280T70 280 280 280 70.0338547552096 70.0338547552096 70.0338547552096 1 1 0 5696 Inf -1 0.5
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1244 M280T4171 M280T69.5 280 280 280 69.5142005486923 69.5142005486923 69.5142005486923 1 1 0 5922 Inf -1 0.5
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1245 M280T3396 M280T56.6 280 280 280 56.5988172147845 56.5988172147845 56.5988172147845 1 1 0 472 Inf -1 0.5
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1246 M280T2780 M280.1T46.3 280.100006103516 280.100006103516 280.100006103516 46.3289163857315 46.3148340394402 46.3429987320227 2 1 1 112 2.20364092672588 0.943068697261438 0.492205451497905
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1247 M280T3319 M280.1T55.3 280.100006103516 280.100006103516 280.100006103516 55.3134461805148 55.2500715017082 55.3768208593213 2 2 0 4 17.9370395359245 -1.00515117177062 0.498306074072736
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1248 M280T4102 M280.2T68.4 280.200012207031 280.200012207031 280.200012207031 68.3681247202827 68.3681247202827 68.3681247202827 1 0 1 5808 2.71047961383975 -1.67743325013228 0.328472109434067
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1249 M280T3038 M280.2T50.6 280.200012207031 280.200012207031 280.200012207031 50.6358552925949 50.6358552925949 50.6358552925949 1 0 1 3217 1.37645240462311 0.282389465249783 0.804554643928768
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1250 M280T3769 M280.2T62.8 280.200012207031 280.200012207031 280.200012207031 62.8169163944725 62.8169163944725 62.8169163944725 1 0 1 946 2.09113431085691 0.694323772877268 0.613610591660212
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1251 M280T3875 M280.3T64.6 280.300018310547 280.300018310547 280.300018310547 64.5792961109386 64.5792961109386 64.5792961109386 1 1 0 2735 Inf -1 0.5
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1252 M280T3873 M280.5T64.6 280.5 280.5 280.5 64.555955116446 64.555955116446 64.555955116446 1 0 1 2736 Inf 1 0.5
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1253 M281T3410 M280.7T56.8 280.700012207031 280.700012207031 280.700012207031 56.8389483272374 56.8389483272374 56.8389483272374 1 0 1 2545 2.98424259932405 1.05084617580308 0.421145144628337
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1254 M281T3253 M280.9T54.2 280.899993896484 280.899993896484 280.899993896484 54.2122618581946 54.2122618581946 54.2122618581946 1 1 0 1912 Inf -1 0.5
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1255 M281T3927 M280.9T65.5 280.899993896484 280.899993896484 280.899993896484 65.4569118275977 65.4569118275977 65.4569118275977 1 1 0 2981 Inf -1.75590876983344 0.329575090475353
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1256 M281T4015 M280.9T66.9 280.899993896484 280.899993896484 280.899993896484 66.9127161374564 66.9127161374564 66.9127161374564 1 1 0 6088 3.70225775009653 -1.09279063573218 0.429487230219219
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1257 M281T3277 M281T54.6 281 281 281 54.6093088228788 54.6093088228788 54.6093088228788 1 0 1 1236 1.4695429272336 -0.448147474406818 0.721781173817171
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1258 M281T3307 M281T55.1 281 281 281 55.116771308306 55.116771308306 55.116771308306 1 0 1 519 Inf 1 0.5
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1259 M281T2795 M281T46.6 281 281 281 46.5791379679258 46.5791379679258 46.5791379679258 1 0 1 [11][M+2]- 12 1.3086757422909 0.254383880082469 0.825620111098988
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1260 M281T3339 M281T55.6 281 281 281 55.6443053209198 55.6443053209198 55.6443053209198 1 0 1 [M-H-C3H6O2]- 356.035 15 4.10752525865855 1.22211201912486 0.39286121864672
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1261 M281T3823 M281T63.7 281 281 281 63.7149202826779 63.7149202826779 63.7149202826779 1 0 1 33 2.49258766885375 0.555753345004338 0.658091156846301
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1262 M281T3459 M281T57.7 281 281 281 57.654467057015 57.654467057015 57.654467057015 1 0 1 1268 1.55675787875559 0.300906463582388 0.796131078809695
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1263 M281T3512 M281.1T58.5 281.100006103516 281.100006103516 281.100006103516 58.5309526476183 58.5309526476183 58.5309526476183 1 1 0 119 30.0733481638369 -1.01198249539899 0.496176481866065
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1264 M281T3640 M281.1T60.7 281.100006103516 281.100006103516 281.100006103516 60.6737781302183 60.6737781302183 60.6737781302183 1 1 0 59 2.40239879812249 -3.12471682146041 0.0894094749851708
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1265 M281T2785 M281.1T46.4 281.100006103516 281.100006103516 281.100006103516 46.4226044213745 46.4226044213745 46.4226044213745 1 0 1 12 1.68750927079162 2.02126869204755 0.254003775069738
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1266 M281T3665 M281.2T61.1 281.200012207031 281.200012207031 281.200012207031 61.0793788985986 61.0095676641139 61.1467514117221 4 2 2 [12][M]- [M-H-CH2O]- 312.214 2 1.07968638773532 0.301823852064743 0.802883065357451
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1267 M281T3320 M281.2T55.3 281.200012207031 281.200012207031 281.200012207031 55.3289173675151 55.3289173675151 55.3289173675151 1 1 0 1141 29.2520079812321 -0.985981244119897 0.504435734981041
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1268 M281T2969 M281.2T49.5 281.200012207031 281.200012207031 281.200012207031 49.4788356124602 49.4788356124602 49.4788356124602 1 0 1 3249 1.34982816272599 0.208244475596312 0.855752296963064
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1269 M281T3034 M281.2T50.6 281.200012207031 281.200012207031 281.200012207031 50.5588145983043 50.5588145983043 50.5588145983043 1 0 1 2123 Inf 1 0.5
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1270 M281T2638 M281.2T44 281.200012207031 281.200012207031 281.200012207031 43.9616702160308 43.9616702160308 43.9616702160308 1 0 1 2640 1.03073995714513 -0.0214049486507842 0.984867725858889
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1271 M281T3180 M281.2T53 281.200012207031 281.200012207031 281.200012207031 52.998351805904 52.998351805904 52.998351805904 1 1 0 40 16.0263220980495 -0.935782719725652 0.520142620028517
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1272 M281T3881 M281.3T64.7 281.300018310547 281.300018310547 281.300018310547 64.6761684079358 64.6085170750839 64.7438197407878 2 1 1 4754 1.15639810426538 -0.102300625570223 0.928022691637223
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1273 M281T3559 M281.3T59.3 281.300018310547 281.300018310547 281.300018310547 59.3165467768517 59.3165467768517 59.3165467768517 1 0 1 1655 1.65366541440622 0.338246194823673 0.773353996601256
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1274 M281T3522 M281.3T58.7 281.300018310547 281.300018310547 281.300018310547 58.7020380724046 58.7020380724046 58.7020380724046 1 0 1 367 Inf 1 0.5
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1275 M281T3552 M281.4T59.2 281.399993896484 281.399993896484 281.399993896484 59.1939723812421 59.1939723812421 59.1939723812421 1 1 0 2335 1.61585377441361 -0.538353364646361 0.665230514059419
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1276 M281T4150 M281.4T69.2 281.399993896484 281.399993896484 281.399993896484 69.1694325890812 69.1694325890812 69.1694325890812 1 0 1 251 7.52048841781241 0.859465084874302 0.544028857745137
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1277 M282T3532 M281.9T58.9 281.899993896484 281.899993896484 281.899993896484 58.871709710258 58.871709710258 58.871709710258 1 0 1 1947 Inf 1 0.5
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1278 M282T4214 M281.9T70.2 281.899993896484 281.899993896484 281.899993896484 70.2266944485552 70.2266944485552 70.2266944485552 1 0 1 5326 3.01934408163672 0.75164685435838 0.563632403815222
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1279 M282T4166 M281.9T69.4 281.899993896484 281.899993896484 281.899993896484 69.4275925560112 69.4275925560112 69.4275925560112 1 0 1 236 Inf 1 0.5
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1280 M282T4089 M282T68.2 282 282 282 68.1559710024869 68.1559710024869 68.1559710024869 1 0 1 4971 Inf 3.82249673336691 0.162894891067687
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1281 M282T4125 M282T68.8 282 282 282 68.7535956844859 68.7535956844859 68.7535956844859 1 1 0 1478 1.04948483213008 0.05431989124255 0.962309648436862
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1282 M282T2991 M282T49.8 282 282 282 49.8462921221805 49.8462921221805 49.8462921221805 1 1 0 1833 6.17389525847476 -0.827246538771628 0.554361348012033
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1283 M282T2586 M282T43.1 282 282 282 43.0964278044834 43.0964278044834 43.0964278044834 1 0 1 2886 2.29579477190715 1.29579799732865 0.37866491170183
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1284 M282T2612 M282.1T43.5 282.100006103516 282.100006103516 282.100006103516 43.5255636905446 43.4876611378167 43.5634662432725 2 1 1 100 1.07641283155505 -0.479385472350578 0.698715548416201
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1285 M282T3655 M282.1T60.9 282.100006103516 282.100006103516 282.100006103516 60.9092694115612 60.9092694115612 60.9092694115612 1 0 1 [M-H-CH4]- 299.131 47 Inf 8.33566767649613 0.0760097256190055
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1286 M282T3470 M282.2T57.8 282.200012207031 282.200012207031 282.200012207031 57.8326114422893 57.6989358978299 57.8330395723401 3 2 1 [M-H-C7H6O2]- 405.235 66 2.88458246262306 -1.3326514098258 0.368723726018215
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1287 M282T3667 M282.2T61.1 282.200012207031 282.200012207031 282.200012207031 61.1172810122325 61.087810612743 61.1467514117221 2 0 2 [12][M+1]- 2 1.32024691691265 0.855621747402586 0.484108231879844
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1288 M282T2622 M282.2T43.7 282.200012207031 282.200012207031 282.200012207031 43.7000750980697 43.7000750980697 43.7000750980697 1 1 0 2641 Inf -1 0.5
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1289 M282T4066 M282.3T67.8 282.300018310547 282.300018310547 282.300018310547 67.7620137906804 67.7620137906804 67.7620137906804 1 0 1 3872 Inf 1 0.5
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1290 M282T4118 M282.3T68.6 282.300018310547 282.300018310547 282.300018310547 68.6287722971562 68.6287722971562 68.6287722971562 1 0 1 4550 Inf 1 0.5
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1291 M282T3082 M282.3T51.4 282.300018310547 282.300018310547 282.300018310547 51.3718936410587 51.3718936410587 51.3718936410587 1 0 1 83 Inf 1 0.5
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1292 M282T4001 M282.3T66.7 282.300018310547 282.300018310547 282.300018310547 66.6848254671586 66.6848254671586 66.6848254671586 1 0 1 253 Inf 1 0.5
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1293 M282T3203 M282.3T53.4 282.300018310547 282.300018310547 282.300018310547 53.376459305165 53.376459305165 53.376459305165 1 1 0 2169 2.41516883801714 -1.24931253186386 0.342102443987233
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1294 M282T3182 M282.4T53 282.399993896484 282.399993896484 282.399993896484 53.0391902247612 53.0236247448201 53.0547557047023 2 2 0 2166 2.46412445714972 -1.42512664273149 0.361702127680412
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1295 M283T3165 M282.9T52.7 282.899993896484 282.899993896484 282.899993896484 52.7418423703139 52.7418423703139 52.7418423703139 1 1 0 818 9.14663762899527 -5.16821434674052 0.0383188518375064
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1296 M283T4085 M283T68.1 283 283 283 68.0758797868082 68.0758797868082 68.0758797868082 1 1 0 5733 Inf -1 0.5
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1297 M283T4141 M283T69 283 283 283 69.0162711786498 69.0162711786498 69.0162711786498 1 1 0 4211 1.21738913750206 0.29032804148893 0.812093401903558
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1298 M283T3258 M283T54.3 283 283 283 54.2919017405391 54.2919017405391 54.2919017405391 1 0 1 3598 Inf 1.81438981753271 0.320681485120593
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1299 M283T3948 M283T65.8 283 283 283 65.8009548468914 65.8009548468914 65.8009548468914 1 1 0 3731 Inf -1 0.5
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1300 M283T3406 M283T56.8 283 283 283 56.7730872931071 56.7730872931071 56.7730872931071 1 0 1 1312 Inf 1.72741617426231 0.334072441084231
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1301 M283T3546 M283T59.1 283 283 283 59.1072147389838 59.1072147389838 59.1072147389838 1 0 1 2336 Inf 1 0.5
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1302 M283T2534 M283T42.2 283 283 283 42.2357111378167 42.2357111378167 42.2357111378167 1 0 1 227 1.29652536346527 0.245902618521583 0.831499132762063
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1303 M283T3652 M283.1T60.9 283.100006103516 283.100006103516 283.100006103516 60.859111366684 60.8531002806979 60.86512245267 2 1 1 1520 1.73006179108444 -0.686414620466127 0.592808310256687
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1304 M283T3642 M283.2T60.7 283.200012207031 283.200012207031 283.200012207031 60.6987516094856 60.6978535677723 60.7370569345947 3 1 2 1518 1.41777907467374 0.783488975243587 0.559223947176901
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1305 M283T3874 M283.2T64.6 283.200012207031 283.200012207031 283.200012207031 64.560532122869 64.5531370274214 64.5679272183167 2 1 1 [13][M]- [M-H]- 284.206 55 2.15109817221594 0.603741006258243 0.646328992425269
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1306 M283T3862 M283.2T64.4 283.200012207031 283.200012207031 283.200012207031 64.3605374589742 64.3457320636606 64.3753428542879 2 1 1 [14][M]- 21 1.87419238034414 0.592455233978878 0.656584051182755
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1307 M283T3662 M283.2T61 283.200012207031 283.200012207031 283.200012207031 61.0360971983017 60.9582703826059 61.1139240139975 2 1 1 [12][M+2]- 2 1.17379528518731 1.32784938177119 0.37343762143275
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1308 M283T3465 M283.2T57.8 283.200012207031 283.200012207031 283.200012207031 57.7551709982716 57.7551709982716 57.7551709982716 1 1 0 101 2.89160897410495 -0.811815265988118 0.564032667328678
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1309 M283T2657 M283.2T44.3 283.200012207031 283.200012207031 283.200012207031 44.2915521739098 44.2915521739098 44.2915521739098 1 0 1 4033 5.18415594441372 0.792495383200067 0.565803327408088
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1310 M283T2956 M283.2T49.3 283.200012207031 283.200012207031 283.200012207031 49.2584532147034 49.2584532147034 49.2584532147034 1 1 0 3181 1.39358927533097 -0.229464338365677 0.841749023312306
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1311 M283T2702 M283.2T45 283.200012207031 283.200012207031 283.200012207031 45.0385139805433 45.0385139805433 45.0385139805433 1 1 0 4860 Inf -1 0.5
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1312 M283T2751 M283.2T45.8 283.200012207031 283.200012207031 283.200012207031 45.8427816733374 45.8427816733374 45.8427816733374 1 1 0 4350 2.0943724182784 -0.471537250052617 0.699018347561187
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1313 M283T2581 M283.2T43 283.200012207031 283.200012207031 283.200012207031 43.0181778044834 43.0181778044834 43.0181778044834 1 0 1 5685 Inf 1 0.5
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1314 M283T3031 M283.2T50.5 283.200012207031 283.200012207031 283.200012207031 50.5243622315578 50.5243622315578 50.5243622315578 1 1 0 2138 Inf -1 0.5
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1315 M284T2716 M284.1T45.3 284.100006103516 284.100006103516 284.100006103516 45.2678753975332 45.259237197843 45.2802398449283 4 2 2 [15][M]- 49 1.01142827754211 -0.0843262408568516 0.942499956149082
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1316 M284T3653 M284.1T60.9 284.100006103516 284.100006103516 284.100006103516 60.8809514467087 60.8809514467087 60.8809514467087 1 1 0 [M-H-CH2]- 299.131 47 2.11282917969896 -1.06047149815882 0.456948308885764
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1317 M284T3740 M284.1T62.3 284.100006103516 284.100006103516 284.100006103516 62.3358017847853 62.3358017847853 62.3358017847853 1 1 0 4709 2.91410295495904 1.7793466234766 0.278870270286115
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1318 M284T3436 M284.1T57.3 284.100006103516 284.100006103516 284.100006103516 57.2740801607151 57.2740801607151 57.2740801607151 1 1 0 4886 3.92244951058921 -1.24998291346593 0.378197157792812
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1319 M284T3683 M284.2T61.4 284.200012207031 284.200012207031 284.200012207031 61.3884849349378 61.3747744916309 61.4594537022362 3 2 1 [16][M]- [M-H-C2H4O]- 329.229 [M-H-CONH2]- 329.229 5 3.53606356037121 -1.06423039677672 0.480098395979916
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1320 M284T3861 M284.2T64.3 284.200012207031 284.200012207031 284.200012207031 64.3490647576268 64.3490647576268 64.3490647576268 1 1 0 [14][M+1]- 21 1.52239898482215 0.456974714966023 0.727110647079507
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1321 M284T3876 M284.2T64.6 284.200012207031 284.200012207031 284.200012207031 64.5941080983655 64.5941080983655 64.5941080983655 1 0 1 [13][M+1]- 55 2.02727230040373 0.572022846500683 0.665733978068083
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1322 M284T4295 M284.2T71.6 284.200012207031 284.200012207031 284.200012207031 71.5781370460506 71.5781370460506 71.5781370460506 1 1 0 6139 Inf -1 0.5
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1323 M284T3842 M284.3T64 284.300018310547 284.300018310547 284.300018310547 64.0342390219633 64.0342390219633 64.0342390219633 1 1 0 1363 Inf -1 0.5
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1324 M284T3168 M284.3T52.8 284.300018310547 284.300018310547 284.300018310547 52.7953942454613 52.7953942454613 52.7953942454613 1 1 0 768 Inf -1 0.5
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1325 M284T3530 M284.3T58.8 284.300018310547 284.300018310547 284.300018310547 58.8310613642101 58.8310613642101 58.8310613642101 1 0 1 1948 Inf 1 0.5
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1326 M284T3793 M284.3T63.2 284.300018310547 284.300018310547 284.300018310547 63.222173286033 63.222173286033 63.222173286033 1 1 0 5518 Inf -1 0.5
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1327 M284T3976 M284.4T66.3 284.399993896484 284.399993896484 284.399993896484 66.2671959497008 66.2671959497008 66.2671959497008 1 0 1 2012 Inf 1 0.5
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1328 M284T3279 M284.4T54.6 284.399993896484 284.399993896484 284.399993896484 54.6443499441026 54.6443499441026 54.6443499441026 1 0 1 1215 11.705996246935 0.911254729015997 0.527773985108883
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1329 M285T3365 M284.8T56.1 284.800018310547 284.800018310547 284.800018310547 56.0801687915705 56.0801687915705 56.0801687915705 1 0 1 4649 3.77971358933055 0.710967562789433 0.594349713995631
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1330 M285T3334 M284.9T55.6 284.899993896484 284.899993896484 284.899993896484 55.5604491644334 55.5604491644334 55.5604491644334 1 1 0 1095 Inf -1 0.5
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1331 M285T4201 M284.9T70 284.899993896484 284.899993896484 284.899993896484 70.0115045250293 70.0115045250293 70.0115045250293 1 1 0 5695 8.07864933680422 -0.869580295001216 0.540827001129913
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1332 M285T2963 M285T49.4 285 285 285 49.3771322346223 49.3771322346223 49.3771322346223 1 1 0 3250 1.33633969919475 -0.201512907333224 0.860232971502311
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1333 M285T4138 M285T69 285 285 285 68.9703791674612 68.9703791674612 68.9703791674612 1 0 1 3964 2.50000098960135 0.557086191958745 0.657481261723172
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1334 M285T2715 M285.1T45.3 285.100006103516 285.100006103516 285.100006103516 45.254855902722 45.2396539001515 45.2700579052925 2 1 1 [15][M+1]- 49 1.00739126901881 0.0266988066844573 0.981129484715207
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1335 M285T4128 M285.1T68.8 285.100006103516 285.100006103516 285.100006103516 68.8075175566691 68.8075175566691 68.8075175566691 1 0 1 [M-H-H2]- 288.111 23 1.0537608728576 0.323197855800896 0.800955030031345
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1336 M285T3692 M285.2T61.5 285.200012207031 285.200012207031 285.200012207031 61.539227600763 61.5377582431736 61.5406969583524 2 1 1 [16][M+1]- 5 2.65573600897259 -0.882752889453686 0.53945837736364
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1337 M285T2761 M285.2T46 285.200012207031 285.200012207031 285.200012207031 46.0095924916702 46.0095924916702 46.0095924916702 1 1 0 5488 Inf -2.29654066908439 0.261445741349186
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1338 M285T3233 M285.2T53.9 285.200012207031 285.200012207031 285.200012207031 53.8837948056497 53.8837948056497 53.8837948056497 1 1 0 2709 4.05881597949611 -2.46876011793755 0.143603773394748
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1339 M285T2776 M285.2T46.3 285.200012207031 285.200012207031 285.200012207031 46.2691580523009 46.2691580523009 46.2691580523009 1 0 1 5120 Inf 1 0.5
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1340 M285T3397 M285.2T56.6 285.200012207031 285.200012207031 285.200012207031 56.6246929164813 56.6246929164813 56.6246929164813 1 1 0 473 1.53143015330632 -0.885220256656695 0.500369549717336
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1341 M285T2803 M285.2T46.7 285.200012207031 285.200012207031 285.200012207031 46.7105168769603 46.7105168769603 46.7105168769603 1 0 1 5181 Inf 1 0.5
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1342 M285T2539 M285.2T42.3 285.200012207031 285.200012207031 285.200012207031 42.3115162432725 42.3115162432725 42.3115162432725 1 1 0 184 3.71441537266418 -1.03137009426213 0.490105874113248
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1343 M285T2742 M285.2T45.7 285.200012207031 285.200012207031 285.200012207031 45.6998334594505 45.6998334594505 45.6998334594505 1 0 1 4597 Inf 1 0.5
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1344 M285T4203 M285.3T70 285.300018310547 285.300018310547 285.300018310547 70.0488517949489 70.0488517949489 70.0488517949489 1 0 1 5697 Inf 1 0.5
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1345 M286T3509 M285.9T58.5 285.899993896484 285.899993896484 285.899993896484 58.4812530426443 58.4812530426443 58.4812530426443 1 0 1 4519 Inf 1 0.5
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1346 M286T3929 M285.9T65.5 285.899993896484 285.899993896484 285.899993896484 65.4829564110736 65.4829564110736 65.4829564110736 1 0 1 2945 10.5341942626177 0.901020380160265 0.530964499332768
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1347 M286T4135 M286T68.9 286 286 286 68.9147441136755 68.891533101347 68.937955126004 2 1 1 3965 1.35465438523291 0.331011225552336 0.786345521602496
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1348 M286T3296 M286T54.9 286 286 286 54.9331519056266 54.9331519056266 54.9331519056266 1 0 1 2593 Inf 3.74846881884389 0.165969375689759
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1349 M286T3720 M286T62 286 286 286 62.0057601073697 62.0057601073697 62.0057601073697 1 1 0 3438 5.26540188389929 -0.795855171366161 0.564681166336894
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1350 M286T4088 M286T68.1 286 286 286 68.128156441337 68.128156441337 68.128156441337 1 1 0 143 2.53548637909573 -1.38929222603875 0.342775657986915
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1351 M286T2765 M286T46.1 286 286 286 46.0790880851154 46.0790880851154 46.0790880851154 1 1 0 3801 4.56980530899755 -3.54014757276891 0.168806582720537
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1352 M286T3257 M286.1T54.3 286.100006103516 286.100006103516 286.100006103516 54.2775590369617 54.2775590369617 54.2775590369617 1 0 1 34 2.00059398880475 0.494545576463964 0.704722248940084
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1353 M286T3286 M286.1T54.8 286.100006103516 286.100006103516 286.100006103516 54.766452695745 54.766452695745 54.766452695745 1 0 1 3790 2.93465674540247 1.28184612266194 0.415928758625832
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1354 M286T3255 M286.2T54.3 286.200012207031 286.200012207031 286.200012207031 54.2567762370304 54.1467271041685 54.3186216158555 4 2 2 [17][M]- [M+Cl]- 251.225 34 1.02067951627397 -0.130589253188073 0.917330048052065
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1355 M286T2703 M286.2T45.1 286.200012207031 286.200012207031 286.200012207031 45.0532519299489 45.0532519299489 45.0532519299489 1 1 0 4861 2.88636994112726 -5.45079564484839 0.111830123877732
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1356 M286T3873 M286.3T64.6 286.300018310547 286.300018310547 286.300018310547 64.5531370274214 64.5531370274214 64.5531370274214 1 1 0 2737 Inf -1 0.5
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1357 M286T3363 M286.3T56.1 286.300018310547 286.300018310547 286.300018310547 56.0545045338819 56.0545045338819 56.0545045338819 1 0 1 4650 Inf 1 0.5
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1358 M286T3602 M286.5T60 286.5 286.5 286.5 60.0250227532796 60.0250227532796 60.0250227532796 1 0 1 1445 Inf 1 0.5
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1359 M287T2666 M286.9T44.4 286.899993896484 286.899993896484 286.899993896484 44.4392567942445 44.4392567942445 44.4392567942445 1 0 1 4039 5.64430505360168 0.810212592477565 0.559925803467312
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1360 M287T3812 M286.9T63.5 286.899993896484 286.899993896484 286.899993896484 63.5304605930993 63.5304605930993 63.5304605930993 1 0 1 2378 Inf 1 0.5
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1361 M287T4114 M287T68.6 287 287 287 68.5606929706313 68.5490222088792 68.5723637323834 2 1 1 [M-H]- 288.01 43 1.45253188695192 -0.416326230233668 0.73365173795053
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1362 M287T3102 M287T51.7 287 287 287 51.7038894781849 51.7038894781849 51.7038894781849 1 1 0 3130 Inf -1 0.5
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1363 M287T2605 M287T43.4 287 287 287 43.4094111378167 43.4094111378167 43.4094111378167 1 0 1 [M-H-CH4]- 304.033 [M-H-C2N2]- 340.009 157 1.04329297856617 0.134676348492786 0.913484382959891
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1364 M287T3197 M287T53.3 287 287 287 53.2895252705432 53.2895252705432 53.2895252705432 1 1 0 1749 Inf -1 0.5
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1365 M287T3315 M287T55.2 287 287 287 55.2454811327593 55.2454811327593 55.2454811327593 1 1 0 520 Inf -1 0.5
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1366 M287T4128 M287.1T68.8 287.100006103516 287.100006103516 287.100006103516 68.8074238019644 68.8074238019644 68.8074238019644 1 1 0 [M-H]- 288.111 23 1.108716092885 0.106247071394689 0.927104844938292
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1367 M287T3252 M287.2T54.2 287.200012207031 287.200012207031 287.200012207031 54.2053857177845 54.1855330204086 54.2252384151604 2 1 1 [17][M+1]- 34 1.39728301817981 -1.08871803569469 0.39544505308796
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1368 M287T2688 M287.2T44.8 287.200012207031 287.200012207031 287.200012207031 44.7931198317599 44.7931198317599 44.7931198317599 1 0 1 6 9.69002112227918 1.20010829322396 0.436494844981453
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1369 M287T4138 M287.2T69 287.200012207031 287.200012207031 287.200012207031 68.9636800622515 68.9636800622515 68.9636800622515 1 1 0 [M-H-C2N]- 326.207 [M-H-F2]- 326.207 99 2.17830472708827 0.723440200357266 0.548502199752901
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1370 M287T4102 M287.3T68.4 287.300018310547 287.300018310547 287.300018310547 68.3660964327137 68.3660964327137 68.3660964327137 1 0 1 5809 Inf 1 0.5
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1371 M288T2649 M287.9T44.1 287.899993896484 287.899993896484 287.899993896484 44.1468804866225 44.1468804866225 44.1468804866225 1 0 1 196 1.56795051988048 0.305399673415079 0.793349024414123
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1372 M288T4025 M287.9T67.1 287.899993896484 287.899993896484 287.899993896484 67.0821484557032 67.0821484557032 67.0821484557032 1 1 0 [M+Cl]- 252.936 185 3.05789019692468 -0.827065378364872 0.527312204456329
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1373 M288T3545 M287.9T59.1 287.899993896484 287.899993896484 287.899993896484 59.0868063610179 59.0868063610179 59.0868063610179 1 1 0 2337 Inf -1 0.5
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1374 M288T3580 M287.9T59.7 287.899993896484 287.899993896484 287.899993896484 59.6706845215359 59.6706845215359 59.6706845215359 1 0 1 1656 Inf 1 0.5
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1375 M288T3785 M287.9T63.1 287.899993896484 287.899993896484 287.899993896484 63.0885714175366 63.0885714175366 63.0885714175366 1 1 0 3667 1.16014728461096 -0.104558891363138 0.926450177511418
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1376 M288T2890 M288T48.2 288 288 288 48.1675623749628 48.1675623749628 48.1675623749628 1 1 0 3826 1.69625195032675 0.58702808021098 0.625662021790257
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1377 M288T3083 M288T51.4 288 288 288 51.3885518689886 51.3885518689886 51.3885518689886 1 0 1 3522 3.11973858435556 0.647032979443383 0.61891431393948
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1378 M288T2772 M288T46.2 288 288 288 46.1930451684632 46.1930451684632 46.1930451684632 1 1 0 5121 Inf -1 0.5
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1379 M288T3631 M288T60.5 288 288 288 60.5181900387194 60.5181900387194 60.5181900387194 1 1 0 45 1.7665368757792 -0.377615710683273 0.750223410807738
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1380 M288T2795 M288.1T46.6 288.100006103516 288.100006103516 288.100006103516 46.5903739862049 46.5527161304661 46.5903739862049 3 1 1 [M+Cl]- 253.126 3935 2.79631579432957 1.01365082202227 0.495420875155602
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1381 M288T3468 M288.1T57.8 288.100006103516 288.100006103516 288.100006103516 57.8049618382039 57.8049618382039 57.8049618382039 1 1 0 66 2.57914368305006 -0.847974323061284 0.499180159830587
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1382 M288T2785 M288.2T46.4 288.200012207031 288.200012207031 288.200012207031 46.419141571537 46.419141571537 46.419141571537 1 1 0 907 1.70952813828712 -0.453118072715168 0.69620049455399
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1383 M288T3833 M288.3T63.9 288.300018310547 288.300018310547 288.300018310547 63.8858741089901 63.8858741089901 63.8858741089901 1 0 1 3351 19.650880133649 1.58708332922702 0.355358445890146
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1384 M288T3515 M288.3T58.6 288.300018310547 288.300018310547 288.300018310547 58.5849576119471 58.5849576119471 58.5849576119471 1 0 1 389 Inf 1 0.5
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1385 M288T3539 M288.3T59 288.300018310547 288.300018310547 288.300018310547 58.976324193497 58.976324193497 58.976324193497 1 0 1 1932 Inf 3.2764729188542 0.188583517478814
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1386 M288T4142 M288.3T69 288.300018310547 288.300018310547 288.300018310547 69.0401974996345 69.0401974996345 69.0401974996345 1 0 1 4212 Inf 1 0.5
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1387 M288T3356 M288.4T55.9 288.399993896484 288.399993896484 288.399993896484 55.9260812482431 55.9260812482431 55.9260812482431 1 0 1 7 2.44974406060029 -1.35874991193196 0.366289860558583
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1388 M288T3376 M288.4T56.3 288.399993896484 288.399993896484 288.399993896484 56.2597032044068 56.2597032044068 56.2597032044068 1 0 1 [M-H-C4H4]- 341.433 25 1.02734290700533 0.0190718567295134 0.986516502331323
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1389 M288T3427 M288.4T57.1 288.399993896484 288.399993896484 288.399993896484 57.1242122689313 57.1242122689313 57.1242122689313 1 1 0 5258 Inf -1 0.5
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1390 M289T3410 M288.9T56.8 288.899993896484 288.899993896484 288.899993896484 56.8330184481852 56.8330184481852 56.8330184481852 1 1 0 2546 Inf -1 0.5
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1391 M289T4138 M288.9T69 288.899993896484 288.899993896484 288.899993896484 68.9640534798681 68.9640534798681 68.9640534798681 1 1 0 3966 1.15979365057182 -0.124269970997586 0.91281712757035
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1392 M289T2716 M289T45.3 289 289 289 45.259237197843 45.259237197843 45.259237197843 1 1 0 2455 2.58829016665294 -1.29515015324749 0.336363562519764
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1393 M289T3528 M289T58.8 289 289 289 58.7933303813603 58.7933303813603 58.7933303813603 1 0 1 390 3.1245088960914 0.647591060577923 0.618690275098223
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1394 M289T3568 M289T59.5 289 289 289 59.4651185944102 59.4651185944102 59.4651185944102 1 1 0 1640 11.9311140862861 -1.46680939036393 0.374788789213361
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1395 M289T2961 M289T49.4 289 289 289 49.35109707572 49.35109707572 49.35109707572 1 1 0 3251 Inf -1 0.5
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1396 M289T3247 M289T54.1 289 289 289 54.1164175871224 54.1164175871224 54.1164175871224 1 1 0 3461 Inf -4.88647326664272 0.128507684311186
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1397 M289T2705 M289.1T45.1 289.100006103516 289.100006103516 289.100006103516 45.0790514908074 45.0790514908074 45.0790514908074 1 1 0 4862 1.15600141798108 -0.177639198848952 0.880720776003115
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1398 M289T3925 M289.2T65.4 289.200012207031 289.200012207031 289.200012207031 65.410760806789 65.410760806789 65.410760806789 1 1 0 2982 4.08334835697189 -0.733429610113161 0.586206269752663
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1399 M289T3127 M289.2T52.1 289.200012207031 289.200012207031 289.200012207031 52.1234107242168 52.1234107242168 52.1234107242168 1 1 0 5590 3.1264999627772 -1.41463905177834 0.294309878516305
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1400 M289T3225 M289.2T53.8 289.200012207031 289.200012207031 289.200012207031 53.7559989425396 53.7559989425396 53.7559989425396 1 1 0 4302 Inf -1 0.5
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1401 M289T2559 M289.2T42.7 289.200012207031 289.200012207031 289.200012207031 42.6505829099392 42.6505829099392 42.6505829099392 1 1 0 3069 5.23086614173228 -1.99285253292669 0.222355038215455
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1402 M289T3192 M289.2T53.2 289.200012207031 289.200012207031 289.200012207031 53.2001652157757 53.2001652157757 53.2001652157757 1 1 0 1750 1.36349550517854 -0.45494808907904 0.709214117949125
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1403 M289T3043 M289.2T50.7 289.200012207031 289.200012207031 289.200012207031 50.7155613702063 50.7155613702063 50.7155613702063 1 0 1 3210 Inf 1 0.5
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1404 M289T3916 M289.3T65.3 289.300018310547 289.300018310547 289.300018310547 65.2739374834593 65.2739374834593 65.2739374834593 1 0 1 5137 Inf 1 0.5
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1405 M289T3603 M289.3T60.1 289.300018310547 289.300018310547 289.300018310547 60.0523893783347 60.0523893783347 60.0523893783347 1 0 1 1446 Inf 1 0.5
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1406 M290T3423 M289.8T57 289.800018310547 289.800018310547 289.800018310547 57.0443965778128 57.0443965778128 57.0443965778128 1 1 0 862 Inf -1 0.5
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1407 M290T3672 M289.9T61.2 289.899993896484 289.899993896484 289.899993896484 61.2001485474757 61.2001485474757 61.2001485474757 1 1 0 445 Inf -3.33475252599044 0.185472587513133
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1408 M290T3888 M289.9T64.8 289.899993896484 289.899993896484 289.899993896484 64.7924893241017 64.7924893241017 64.7924893241017 1 0 1 2229 1.73028642133671 0.365422358376353 0.757286521486094
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1409 M290T3254 M289.9T54.2 289.899993896484 289.899993896484 289.899993896484 54.2384536482062 54.2384536482062 54.2384536482062 1 0 1 1913 Inf 1 0.5
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1410 M290T2584 M289.9T43.1 289.899993896484 289.899993896484 289.899993896484 43.0678995766058 43.0678995766058 43.0678995766058 1 1 0 5739 Inf -1 0.5
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1411 M290T3296 M290T54.9 290 290 290 54.9412361124986 54.8957572518083 54.9867149731889 2 1 1 2599 1.15401670716834 0.109578971296855 0.922748883205398
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1412 M290T3259 M290T54.3 290 290 290 54.3229336554174 54.2738637650085 54.3720035458262 2 1 1 3599 1.41549295774648 -0.239740358743237 0.835037259510808
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1413 M290T3499 M290T58.3 290 290 290 58.3227923093105 58.3227923093105 58.3227923093105 1 1 0 3369 Inf -1 0.5
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1414 M290T3972 M290T66.2 290 290 290 66.1981457355485 66.1981457355485 66.1981457355485 1 1 0 1991 1.77655981599928 -0.435782866346357 0.7376746565902
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1415 M290T3484 M290.3T58.1 290.300018310547 290.300018310547 290.300018310547 58.0691763348732 58.0691763348732 58.0691763348732 1 0 1 1780 4.33321293294372 1.25402996426608 0.387459658469469
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1416 M290T2670 M290.3T44.5 290.300018310547 290.300018310547 290.300018310547 44.4927092754262 44.4927092754262 44.4927092754262 1 0 1 4040 Inf 3.91136716843365 0.159348064964928
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1417 M290T3045 M290.3T50.7 290.300018310547 290.300018310547 290.300018310547 50.7416782074152 50.7416782074152 50.7416782074152 1 0 1 141 Inf 1 0.5
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1418 M290T3920 M290.4T65.3 290.399993896484 290.399993896484 290.399993896484 65.3329894391537 65.3329894391537 65.3329894391537 1 1 0 2983 Inf -1 0.5
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1419 M290T3993 M290.4T66.5 290.399993896484 290.399993896484 290.399993896484 66.5423475209995 66.5423475209995 66.5423475209995 1 1 0 118 Inf -1 0.5
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1420 M290T3369 M290.4T56.2 290.399993896484 290.399993896484 290.399993896484 56.1574713926049 56.1574713926049 56.1574713926049 1 1 0 206 Inf -1 0.5
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1421 M291T3207 M290.7T53.4 290.700012207031 290.700012207031 290.700012207031 53.4461624024313 53.4461624024313 53.4461624024313 1 0 1 4303 Inf 12.2131556522665 0.0520097196357796
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1422 M291T3225 M290.8T53.8 290.800018310547 290.800018310547 290.800018310547 53.7578824844522 53.7349748512176 53.7807901176868 2 1 1 4304 2.13278736691631 0.480894231486276 0.694236617063754
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1423 M291T3815 M290.8T63.6 290.800018310547 290.800018310547 290.800018310547 63.5895475078597 63.5895475078597 63.5895475078597 1 1 0 2379 1.99838656984426 -0.446780363887949 0.711952648980777
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1424 M291T3700 M290.9T61.7 290.899993896484 290.899993896484 290.899993896484 61.6682829556225 61.6682829556225 61.6682829556225 1 1 0 4188 Inf -1 0.5
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1425 M291T3249 M290.9T54.1 290.899993896484 290.899993896484 290.899993896484 54.1467271041685 54.1467271041685 54.1467271041685 1 0 1 1904 1.80994598447113 0.391689617482139 0.742186381077705
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1426 M291T3525 M290.9T58.8 290.899993896484 290.899993896484 290.899993896484 58.7517435294873 58.7517435294873 58.7517435294873 1 1 0 391 3.04244465719919 -0.744793163996118 0.591999964027855
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1427 M291T4096 M290.9T68.3 290.899993896484 290.899993896484 290.899993896484 68.2588180815891 68.2588180815891 68.2588180815891 1 1 0 150 1.57829544370982 -0.543226123313022 0.667243466957988
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1428 M291T4118 M290.9T68.6 290.899993896484 290.899993896484 290.899993896484 68.626545094649 68.626545094649 68.626545094649 1 0 1 4551 4.41394669852092 1.13981415012702 0.427580170627704
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1429 M291T2674 M290.9T44.6 290.899993896484 290.899993896484 290.899993896484 44.5730945661027 44.5730945661027 44.5730945661027 1 0 1 644 Inf 1 0.5
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1430 M291T3218 M290.9T53.6 290.899993896484 290.899993896484 290.899993896484 53.6309430249299 53.6309430249299 53.6309430249299 1 0 1 4305 5.10680258814171 0.789194493429924 0.566909433652155
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1431 M291T3323 M290.9T55.4 290.899993896484 290.899993896484 290.899993896484 55.3795249542604 55.3795249542604 55.3795249542604 1 0 1 1142 10.670499554035 2.20486668990452 0.251071898920241
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1432 M291T4016 M290.9T66.9 290.899993896484 290.899993896484 290.899993896484 66.9391540824249 66.9391540824249 66.9391540824249 1 1 0 242 Inf -1 0.5
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1433 M291T3269 M291T54.5 291 291 291 54.4869112816259 54.4869112816259 54.4869112816259 1 0 1 174 2.11536207119989 -3.6445843769698 0.169818572892121
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1434 M291T3291 M291T54.9 291 291 291 54.854458986636 54.854458986636 54.854458986636 1 0 1 2105 3.03361143472768 0.636661112561124 0.623110711163519
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1435 M291T3672 M291.1T61.2 291.100006103516 291.100006103516 291.100006103516 61.1993746267368 61.1993746267368 61.1993746267368 2 0 1 2 3.18276591307931 1.47353014812453 0.337934624892573
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1436 M291T2983 M291.1T49.7 291.100006103516 291.100006103516 291.100006103516 49.7158895462007 49.7158895462007 49.7158895462007 1 1 0 124 2.68796866485511 -0.911927102005357 0.528350743282906
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1437 M291T3664 M291.2T61.1 291.200012207031 291.200012207031 291.200012207031 61.066533322011 61.0355325819179 61.0975340621041 2 1 1 [M-H-HF]- 312.214 2 2.64307310404059 -2.51251700958996 0.183056720602389
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1438 M291T3488 M291.2T58.1 291.200012207031 291.200012207031 291.200012207031 58.1390165906051 58.1390165906051 58.1390165906051 1 0 1 1781 2.36710367302098 1.09052328739752 0.396471109585416
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1439 M291T2966 M291.2T49.4 291.200012207031 291.200012207031 291.200012207031 49.4395318921251 49.4395318921251 49.4395318921251 1 1 0 3242 2.4231206198297 -0.542894582667815 0.664034978930915
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1440 M291T3558 M291.2T59.3 291.200012207031 291.200012207031 291.200012207031 59.3060658106616 59.3060658106616 59.3060658106616 1 1 0 1657 4.89777774380336 -0.779739170453442 0.570098359468596
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1441 M291T4116 M291.3T68.6 291.300018310547 291.300018310547 291.300018310547 68.5984869938564 68.5984869938564 68.5984869938564 1 1 0 2278 Inf -2.04050755392207 0.290091996812726
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1442 M291T3739 M291.3T62.3 291.300018310547 291.300018310547 291.300018310547 62.3163563304098 62.3163563304098 62.3163563304098 1 0 1 4710 Inf 1 0.5
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1443 M291T3987 M291.3T66.4 291.300018310547 291.300018310547 291.300018310547 66.4499946237471 66.4499946237471 66.4499946237471 1 0 1 4489 1.47065962729225 -0.385573871326434 0.740742763903737
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1444 M291T3782 M291.3T63 291.300018310547 291.300018310547 291.300018310547 63.0288128162637 63.0288128162637 63.0288128162637 1 0 1 88 Inf 1 0.5
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1445 M291T3233 M291.4T53.9 291.399993896484 291.399993896484 291.399993896484 53.8852231027728 53.8852231027728 53.8852231027728 1 0 1 54 1.37049998325664 0.282872953444827 0.819860781315667
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1446 M291T3349 M291.4T55.8 291.399993896484 291.399993896484 291.399993896484 55.8216030760909 55.8216030760909 55.8216030760909 1 1 0 690 5.0616711007314 -2.94776716406811 0.193020078608857
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1447 M292T3247 M291.8T54.1 291.800018310547 291.800018310547 291.800018310547 54.1205501417581 54.1205501417581 54.1205501417581 1 0 1 1905 Inf 1 0.5
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1448 M292T3328 M291.9T55.5 291.899993896484 291.899993896484 291.899993896484 55.4620905826162 55.4620905826162 55.4620905826162 1 0 1 1096 Inf 1 0.5
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1449 M292T3610 M291.9T60.2 291.899993896484 291.899993896484 291.899993896484 60.1676349246839 60.1676349246839 60.1676349246839 1 0 1 2577 3.02864099778619 0.636044935770616 0.623361978998928
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1450 M292T3400 M291.9T56.7 291.899993896484 291.899993896484 291.899993896484 56.6702028061549 56.6702028061549 56.6702028061549 1 0 1 1313 3.00447134300325 0.63302029638593 0.624598610410098
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1451 M292T3861 M292.1T64.3 292.100006103516 292.100006103516 292.100006103516 64.3490647576268 64.3490647576268 64.3490647576268 1 1 0 [M-H-C7H6O2]- 415.134 21 1.64463919255746 0.870135405435632 0.47810428005185
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1452 M292T3774 M292.1T62.9 292.100006103516 292.100006103516 292.100006103516 62.8967197984542 62.8967197984542 62.8967197984542 1 0 1 5853 4.22181541077578 0.926205874770316 0.50472091519748
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1453 M292T3481 M292.3T58 292.300018310547 292.300018310547 292.300018310547 58.0135635415829 58.0135635415829 58.0135635415829 1 1 0 1782 1.48673463908345 -0.313898484097089 0.800157184542388
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1454 M292T3288 M292.3T54.8 292.300018310547 292.300018310547 292.300018310547 54.8020244354891 54.8020244354891 54.8020244354891 1 1 0 2106 Inf -1 0.5
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1455 M292T3329 M292.3T55.5 292.300018310547 292.300018310547 292.300018310547 55.4818278558154 55.4818278558154 55.4818278558154 1 1 0 1085 3.06865637799091 -0.640950188348216 0.621367824212186
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1456 M292T4094 M292.3T68.2 292.300018310547 292.300018310547 292.300018310547 68.2326839630724 68.2326839630724 68.2326839630724 1 1 0 5117 Inf -1 0.5
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1457 M292T3828 M292.3T63.8 292.300018310547 292.300018310547 292.300018310547 63.8071858598972 63.8071858598972 63.8071858598972 1 0 1 1875 6.20617708818919 0.928292299016743 0.515877384020364
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1458 M292T3446 M292.3T57.4 292.300018310547 292.300018310547 292.300018310547 57.4332996031109 57.4332996031109 57.4332996031109 1 1 0 2924 7.23019376428636 -0.85356571750482 0.545904543022263
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1459 M292T4055 M292.3T67.6 292.300018310547 292.300018310547 292.300018310547 67.57911300379 67.57911300379 67.57911300379 1 1 0 3417 1.0161225267781 -0.0126190834655794 0.991147941396955
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1460 M292T3642 M292.4T60.7 292.399993896484 292.399993896484 292.399993896484 60.6997102365028 60.6997102365028 60.6997102365028 1 1 0 1521 Inf -1 0.5
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1461 M292T3341 M292.4T55.7 292.399993896484 292.399993896484 292.399993896484 55.6912268812925 55.6912268812925 55.6912268812925 1 1 0 179 14.498022167364 -1.68023677121351 0.337219116057967
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1462 M293T3165 M292.7T52.7 292.700012207031 292.700012207031 292.700012207031 52.7418423703139 52.7418423703139 52.7418423703139 1 1 0 827 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1463 M293T4141 M292.9T69 292.899993896484 292.899993896484 292.899993896484 69.0143366635432 69.0143366635432 69.0143366635432 1 0 1 4213 Inf 1 0.5
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1464 M293T3177 M292.9T52.9 292.899993896484 292.899993896484 292.899993896484 52.9435567907581 52.9435567907581 52.9435567907581 1 0 1 769 1.42021535722725 0.241926490693601 0.833615492215864
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1465 M293T3435 M293T57.2 293 293 293 57.2475843231013 57.2475843231013 57.2475843231013 1 1 0 4887 1.0437291867089 0.0453899778379612 0.968475905768587
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1466 M293T4137 M293.1T68.9 293.100006103516 293.100006103516 293.100006103516 68.9440961100042 68.9440961100042 68.9440961100042 1 0 1 3967 1.65971209568182 0.396115329351269 0.75918795180962
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1467 M293T2821 M293.2T47 293.200012207031 293.200012207031 293.200012207031 47.0161562612033 47.0161562612033 47.0161562612033 1 1 0 3292 5.07699110427983 -0.787894778779643 0.567345959534956
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1468 M293T3021 M293.2T50.3 293.200012207031 293.200012207031 293.200012207031 50.342929430464 50.342929430464 50.342929430464 1 1 0 2139 Inf -1 0.5
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1469 M293T2730 M293.2T45.5 293.200012207031 293.200012207031 293.200012207031 45.4990851917742 45.4990851917742 45.4990851917742 1 0 1 2471 Inf 1 0.5
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1470 M293T4177 M293.2T69.6 293.200012207031 293.200012207031 293.200012207031 69.6189121737951 69.6189121737951 69.6189121737951 1 1 0 [M+Cl]- 258.229 115 2.13767646561344 -0.482063673350206 0.693643124313964
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1471 M293T3916 M293.3T65.3 293.300018310547 293.300018310547 293.300018310547 65.2717967632908 65.2717967632908 65.2717967632908 1 1 0 5138 1.9589488560614 -0.859049190561909 0.507854591974473
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1472 M293T3475 M293.3T57.9 293.300018310547 293.300018310547 293.300018310547 57.9101538329849 57.9101538329849 57.9101538329849 1 1 0 1783 4.65632009954076 -1.5936318240358 0.296183765547949
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1473 M293T3484 M293.4T58.1 293.399993896484 293.399993896484 293.399993896484 58.0624886413588 58.0624886413588 58.0624886413588 1 0 1 31 1.42039222094453 0.412977091573542 0.746959527449945
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1474 M293T3319 M293.4T55.3 293.399993896484 293.399993896484 293.399993896484 55.3242954747926 55.3242954747926 55.3242954747926 1 1 0 1143 Inf -1 0.5
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1475 M294T3484 M293.5T58.1 293.5 293.5 293.5 58.0688990556048 58.0688990556048 58.0688990556048 1 1 0 1784 3.26594183793808 -0.663408103178648 0.612413807626569
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1476 M294T3362 M293.7T56 293.700012207031 293.700012207031 293.700012207031 56.0329982680254 56.0329982680254 56.0329982680254 1 1 0 4651 3.38728552943959 -0.675937687290923 0.607540017962314
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1477 M294T2681 M293.9T44.7 293.899993896484 293.899993896484 293.899993896484 44.6807726835245 44.6807726835245 44.6807726835245 1 0 1 645 1.01417189589 -0.00995028841579595 0.992964416146762
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1478 M294T2788 M293.9T46.5 293.899993896484 293.899993896484 293.899993896484 46.4670382320035 46.4670382320035 46.4670382320035 1 0 1 908 Inf 1 0.5
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1479 M294T2997 M293.9T50 293.899993896484 293.899993896484 293.899993896484 49.9539915454543 49.9539915454543 49.9539915454543 1 0 1 1823 Inf 1 0.5
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1480 M294T3965 M293.9T66.1 293.899993896484 293.899993896484 293.899993896484 66.0877825894543 66.0877825894543 66.0877825894543 1 1 0 2013 Inf -1 0.5
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1481 M294T3186 M293.9T53.1 293.899993896484 293.899993896484 293.899993896484 53.099351150571 53.099351150571 53.099351150571 1 1 0 2174 Inf -1 0.5
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1482 M294T3412 M293.9T56.9 293.899993896484 293.899993896484 293.899993896484 56.8592576717724 56.8592576717724 56.8592576717724 1 1 0 863 Inf -1 0.5
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1483 M294T3934 M293.9T65.6 293.899993896484 293.899993896484 293.899993896484 65.5664103685869 65.5664103685869 65.5664103685869 1 1 0 2984 4.20069592570678 -0.741230647169632 0.583431301022322
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1484 M294T4027 M293.9T67.1 293.899993896484 293.899993896484 293.899993896484 67.1241327452581 67.1241327452581 67.1241327452581 1 1 0 3761 1.67662268718912 -0.503930393711551 0.664866321872288
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1485 M294T4106 M294T68.4 294 294 294 68.4388265657596 68.4388265657596 68.4388265657596 1 1 0 5644 4.17835219359277 -1.04889643523587 0.456474026775846
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1486 M294T4053 M294.2T67.5 294.200012207031 294.200012207031 294.200012207031 67.5462092090621 67.5462092090621 67.5462092090621 1 1 0 3418 3.61853806309279 -0.697500568825858 0.599347141757558
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1487 M294T2688 M294.2T44.8 294.200012207031 294.200012207031 294.200012207031 44.793032473518 44.793032473518 44.793032473518 1 1 0 646 2.22052259564527 -0.501178107357521 0.684072717496586
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1488 M294T3656 M294.2T60.9 294.200012207031 294.200012207031 294.200012207031 60.9310993232382 60.9310993232382 60.9310993232382 1 0 1 47 1.18618250405405 -0.212877003525564 0.852427785334329
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1489 M294T2611 M294.2T43.5 294.200012207031 294.200012207031 294.200012207031 43.5161881126804 43.5161881126804 43.5161881126804 1 1 0 4002 2.92113910186182 -0.622218318504061 0.629059207324479
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1490 M294T3352 M294.3T55.9 294.300018310547 294.300018310547 294.300018310547 55.8746527962526 55.8746527962526 55.8746527962526 1 0 1 720 2.37135377737781 0.959058902802073 0.438774674942696
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1491 M294T3516 M294.3T58.6 294.300018310547 294.300018310547 294.300018310547 58.5944529096442 58.5944529096442 58.5944529096442 1 1 0 392 Inf -2.92149432988105 0.209951026983482
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1492 M294T2793 M294.3T46.6 294.300018310547 294.300018310547 294.300018310547 46.5527161304661 46.5527161304661 46.5527161304661 1 0 1 909 Inf 1 0.5
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1493 M294T3742 M294.3T62.4 294.300018310547 294.300018310547 294.300018310547 62.3690182500501 62.3690182500501 62.3690182500501 1 0 1 1044 1.87225999067699 0.584217696832064 0.623522513553903
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1494 M295T3584 M294.6T59.7 294.600006103516 294.600006103516 294.600006103516 59.7303704799962 59.7303704799962 59.7303704799962 1 1 0 1694 Inf -1 0.5
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1495 M295T4109 M294.9T68.5 294.899993896484 294.899993896484 294.899993896484 68.4912677521327 68.4912677521327 68.4912677521327 1 1 0 2291 3.22442408672339 -0.658906841010654 0.614185715945156
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1496 M295T3145 M294.9T52.4 294.899993896484 294.899993896484 294.899993896484 52.4135612869749 52.4135612869749 52.4135612869749 1 0 1 3032 2.93853681081674 0.951107643031031 0.464120087166894
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1497 M295T3932 M294.9T65.5 294.899993896484 294.899993896484 294.899993896484 65.5284150139878 65.5284150139878 65.5284150139878 1 0 1 2985 2.27879715852565 0.559770176262693 0.674377417453641
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1498 M295T3805 M294.9T63.4 294.899993896484 294.899993896484 294.899993896484 63.4094888519029 63.4094888519029 63.4094888519029 1 1 0 2827 Inf -1 0.5
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1499 M295T2562 M294.9T42.7 294.899993896484 294.899993896484 294.899993896484 42.6932680813334 42.6932680813334 42.6932680813334 1 0 1 3070 Inf 1 0.5
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1500 M295T2969 M295T49.5 295 295 295 49.4813131494975 49.4813131494975 49.4813131494975 1 1 0 3233 2.57538742457661 -0.792612397196995 0.553371252093237
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1501 M295T3542 M295T59 295 295 295 59.041466821452 59.041466821452 59.041466821452 1 1 0 2327 12.4845857269558 -5.71450419838111 0.0477349614215439
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1502 M295T3585 M295T59.8 295 295 295 59.7519583899682 59.7519583899682 59.7519583899682 1 0 1 1695 Inf 1 0.5
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1503 M295T3647 M295T60.8 295 295 295 60.7880664087671 60.7880664087671 60.7880664087671 1 1 0 1532 2.95689139415771 -0.656385377584727 0.627344698549716
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1504 M295T3839 M295.1T64 295.100006103516 295.100006103516 295.100006103516 63.9909531049038 63.9909531049038 63.9909531049038 1 0 1 3156 4.19498514306739 1.17558787891037 0.436658465678386
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1505 M295T4100 M295.2T68.3 295.200012207031 295.200012207031 295.200012207031 68.3398297484718 68.3398297484718 68.3398297484718 1 0 1 5810 1.39704111636546 0.288518592258479 0.801824132212966
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1506 M295T3112 M295.2T51.9 295.200012207031 295.200012207031 295.200012207031 51.8739429217541 51.8739429217541 51.8739429217541 1 0 1 165 1.10119537818269 -0.101128964497375 0.93580465434066
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1507 M295T2936 M295.2T48.9 295.200012207031 295.200012207031 295.200012207031 48.9294678784456 48.9294678784456 48.9294678784456 1 0 1 2803 1.4585866715695 0.259313125254561 0.822386838206083
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1508 M295T2703 M295.2T45.1 295.200012207031 295.200012207031 295.200012207031 45.0532519299489 45.0532519299489 45.0532519299489 1 1 0 4863 3.69884943770503 -0.704358292762743 0.596791190374806
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1509 M295T2787 M295.2T46.4 295.200012207031 295.200012207031 295.200012207031 46.4420455259627 46.4420455259627 46.4420455259627 1 0 1 910 Inf 1 0.5
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1510 M295T2765 M295.2T46.1 295.200012207031 295.200012207031 295.200012207031 46.0880595099537 46.0880595099537 46.0880595099537 1 1 0 3802 Inf -1.78770303695151 0.324684960355057
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1511 M295T4039 M295.2T67.3 295.200012207031 295.200012207031 295.200012207031 67.3175840904329 67.3175840904329 67.3175840904329 1 1 0 3762 14.6988439793749 -0.929818124340487 0.521997850089129
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1512 M295T4124 M295.3T68.7 295.300018310547 295.300018310547 295.300018310547 68.7338667416034 68.7338667416034 68.7338667416034 1 0 1 1711 Inf 1 0.5
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1513 M295T3949 M295.3T65.8 295.300018310547 295.300018310547 295.300018310547 65.8175253436234 65.8175253436234 65.8175253436234 1 0 1 3732 Inf 1 0.5
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1514 M295T3571 M295.3T59.5 295.300018310547 295.300018310547 295.300018310547 59.5162516668273 59.5162516668273 59.5162516668273 1 1 0 1658 Inf -1 0.5
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1515 M295T3993 M295.3T66.6 295.300018310547 295.300018310547 295.300018310547 66.553424607409 66.553424607409 66.553424607409 1 0 1 4490 Inf 1 0.5
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1516 M296T4069 M295.9T67.8 295.899993896484 295.899993896484 295.899993896484 67.8144534846896 67.8144534846896 67.8144534846896 1 1 0 3873 1.13913906143303 0.133781364056394 0.912929361884156
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1517 M296T4108 M295.9T68.5 295.899993896484 295.899993896484 295.899993896484 68.4678619583106 68.4678619583106 68.4678619583106 1 1 0 [M+Cl]- 260.929 43 Inf -1 0.5
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1518 M296T3870 M295.9T64.5 295.899993896484 295.899993896484 295.899993896484 64.5007646161753 64.5007646161753 64.5007646161753 1 1 0 21 1.01461713432989 0.0102606123871581 0.99274501605709
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1519 M296T3307 M295.9T55.1 295.899993896484 295.899993896484 295.899993896484 55.116771308306 55.116771308306 55.116771308306 1 0 1 521 7.57449800788401 0.860511178711791 0.54369692072567
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1520 M296T4118 M296T68.6 296 296 296 68.626545094649 68.626545094649 68.626545094649 1 0 1 4552 1.92525600902925 2.96982990972961 0.184061032147853
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1521 M296T3811 M296T63.5 296 296 296 63.5166230732481 63.5166230732481 63.5166230732481 1 1 0 2372 3.14314119120153 -0.794410076952748 0.565264214842044
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1522 M296T3954 M296T65.9 296 296 296 65.8963773881948 65.8963773881948 65.8963773881948 1 0 1 5453 2.42560342811406 1.01863266048159 0.415585287016784
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1523 M296T2726 M296.1T45.4 296.100006103516 296.100006103516 296.100006103516 45.4404352267538 45.3955462015806 45.4768442873073 4 2 2 2451 1.35425596719398 -1.68492275680916 0.235574249105523
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1524 M296T3681 M296.2T61.4 296.200012207031 296.200012207031 296.200012207031 61.3553114285312 61.3553114285312 61.3553114285312 1 1 0 586 4.55330851379635 -1.16726347965777 0.420473548573923
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1525 M296T3561 M296.2T59.3 296.200012207031 296.200012207031 296.200012207031 59.342681904011 59.342681904011 59.342681904011 1 0 1 1659 1.58111683562622 0.908691421757939 0.530333288244769
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1526 M296T2848 M296.2T47.5 296.200012207031 296.200012207031 296.200012207031 47.4702705792095 47.4702705792095 47.4702705792095 1 0 1 5628 1.88836029152553 0.694919173497526 0.56209832764863
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1527 M296T2785 M296.2T46.4 296.200012207031 296.200012207031 296.200012207031 46.4172129153222 46.4172129153222 46.4172129153222 1 0 1 911 1.95457587739822 0.434780852047073 0.718368656945394
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1528 M296T3845 M296.3T64.1 296.300018310547 296.300018310547 296.300018310547 64.0829532534703 64.0829532534703 64.0829532534703 1 0 1 1364 Inf 1 0.5
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1529 M296T3071 M296.3T51.2 296.300018310547 296.300018310547 296.300018310547 51.1899216038492 51.1899216038492 51.1899216038492 1 1 0 2423 2.94468001743895 -0.625330062080118 0.627767110144055
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1530 M296T4075 M296.3T67.9 296.300018310547 296.300018310547 296.300018310547 67.9190323704023 67.9190323704023 67.9190323704023 1 1 0 3874 9.12971504631063 -0.885173516496838 0.53592124463453
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1531 M296T3796 M296.4T63.3 296.399993896484 296.399993896484 296.399993896484 63.2665560149177 63.2665560149177 63.2665560149177 1 0 1 123 Inf 1.92931674501127 0.304428107449571
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1532 M297T4128 M296.9T68.8 296.899993896484 296.899993896484 296.899993896484 68.8074238019644 68.8074238019644 68.8074238019644 1 1 0 1479 Inf -1.28333527325553 0.421404670372306
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1533 M297T3313 M296.9T55.2 296.899993896484 296.899993896484 296.899993896484 55.2192002617451 55.2192002617451 55.2192002617451 1 1 0 522 Inf -1.88009926019499 0.311199139194243
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1534 M297T3903 M296.9T65.1 296.899993896484 296.899993896484 296.899993896484 65.0553018735158 65.0553018735158 65.0553018735158 1 0 1 4816 7.26910614891922 0.854384742469125 0.545643745508709
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1535 M297T3919 M296.9T65.3 296.899993896484 296.899993896484 296.899993896484 65.3246734155602 65.3246734155602 65.3246734155602 1 1 0 2986 1.24861117665281 -0.155411435312373 0.891364343636558
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1536 M297T3385 M296.9T56.4 296.899993896484 296.899993896484 296.899993896484 56.4135252405169 56.4135252405169 56.4135252405169 1 0 1 1551 2.14322908313692 0.988509292060595 0.448133122687799
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1537 M297T3813 M297T63.5 297 297 297 63.5434136843954 63.5434136843954 63.5434136843954 1 1 0 2372 3.58968334919666 -0.860944761005056 0.546206293033093
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1538 M297T4180 M297T69.7 297 297 297 69.6712671024032 69.6712671024032 69.6712671024032 1 1 0 5998 Inf -5.39943092927698 0.11658398001955
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1539 M297T2928 M297.2T48.8 297.200012207031 297.200012207031 297.200012207031 48.8072215714548 48.8072215714548 48.8072215714548 1 0 1 3623 2.71953262922129 0.911914912429988 0.47344103834776
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1540 M297T3295 M297.2T54.9 297.200012207031 297.200012207031 297.200012207031 54.9215301739155 54.9215301739155 54.9215301739155 1 0 1 2600 7.9748368141307 0.867809580586302 0.541386286533992
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1541 M297T3564 M297.2T59.4 297.200012207031 297.200012207031 297.200012207031 59.4042647655764 59.4042647655764 59.4042647655764 1 0 1 1660 Inf 1.93499566791931 0.303664290592799
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1542 M297T3219 M297.2T53.7 297.200012207031 297.200012207031 297.200012207031 53.6543301787004 53.6543301787004 53.6543301787004 1 1 0 4306 Inf -1 0.5
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1543 M297T3844 M297.2T64.1 297.200012207031 297.200012207031 297.200012207031 64.0604363874163 64.0604363874163 64.0604363874163 1 1 0 21 2.49199922571724 0.597512930113104 0.656479318124689
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1544 M297T4037 M297.3T67.3 297.300018310547 297.300018310547 297.300018310547 67.2825478095384 67.2825478095384 67.2825478095384 1 1 0 3763 Inf -1 0.5
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1545 M297T3981 M297.3T66.3 297.300018310547 297.300018310547 297.300018310547 66.3495065615317 66.3495065615317 66.3495065615317 1 1 0 5540 Inf -1 0.5
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1546 M297T3389 M297.3T56.5 297.300018310547 297.300018310547 297.300018310547 56.4904722617241 56.4904722617241 56.4904722617241 1 0 1 474 Inf 1.33506725767464 0.409268473725744
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1547 M298T3994 M297.9T66.6 297.899993896484 297.899993896484 297.899993896484 66.5588520895505 66.5588520895505 66.5588520895505 1 1 0 4491 2.3228974941715 -0.523090659193013 0.673402762961895
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1548 M298T3021 M298T50.4 298 298 298 50.3500342583917 50.2967131046413 50.403355412142 2 0 2 2117 3.39617582048459 1.62240129868555 0.247030435255013
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1549 M298T3277 M298T54.6 298 298 298 54.6119767674872 54.6119767674872 54.6119767674872 1 1 0 1237 1.35155392761763 0.209099140190732 0.855184700859225
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1550 M298T4132 M298T68.9 298 298 298 68.865253089485 68.865253089485 68.865253089485 1 0 1 1480 6.94844828564894 0.847352718349283 0.547887229142771
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1551 M298T4206 M298T70.1 298 298 298 70.1014782236751 70.1014782236751 70.1014782236751 1 0 1 4924 Inf 1 0.5
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1552 M298T2983 M298T49.7 298 298 298 49.7158895462007 49.7158895462007 49.7158895462007 1 1 0 124 7.61162873442281 -2.8552338105224 0.1494800831467
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1553 M298T3512 M298.2T58.5 298.200012207031 298.200012207031 298.200012207031 58.5309526476183 58.5309526476183 58.5309526476183 1 1 0 119 3.30552507091674 -0.894504146712733 0.533806282479122
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1554 M298T2744 M298.2T45.7 298.200012207031 298.200012207031 298.200012207031 45.7378834453013 45.7378834453013 45.7378834453013 1 1 0 122 6.09004895298932 -34.749613478431 0.00583552704496593
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1555 M298T3175 M298.2T52.9 298.200012207031 298.200012207031 298.200012207031 52.9244068046548 52.9244068046548 52.9244068046548 1 1 0 753 9.33115320076215 -1.39132991012503 0.39635735563726
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1556 M298T2604 M298.2T43.4 298.200012207031 298.200012207031 298.200012207031 43.3975014146668 43.3975014146668 43.3975014146668 1 0 1 5240 1.60480887792844 0.370999609942514 0.770903992530557
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1557 M298T3622 M298.3T60.4 298.300018310547 298.300018310547 298.300018310547 60.3700364728717 60.3700364728717 60.3700364728717 1 0 1 1599 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1558 M298T3647 M298.3T60.8 298.300018310547 298.300018310547 298.300018310547 60.7770725694601 60.7770725694601 60.7770725694601 1 0 1 1533 Inf 1 0.5
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1559 M298T3043 M298.3T50.7 298.300018310547 298.300018310547 298.300018310547 50.7155613702063 50.7155613702063 50.7155613702063 1 0 1 71 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1560 M298T3883 M298.4T64.7 298.399993896484 298.399993896484 298.399993896484 64.7132071273224 64.6384283091249 64.7879859455199 2 2 0 2230 Inf -4.40720560868088 0.142044667121737
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1561 M298T3943 M298.4T65.7 298.399993896484 298.399993896484 298.399993896484 65.7181150130927 65.7181150130927 65.7181150130927 1 0 1 4139 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1562 M298T3596 M298.4T59.9 298.399993896484 298.399993896484 298.399993896484 59.9412324658424 59.9412324658424 59.9412324658424 1 1 0 22 Inf -7.00155242329752 0.0903147088294227
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1563 M299T3320 M299T55.3 299 299 299 55.3334338236129 55.3334338236129 55.3334338236129 1 0 1 1131 5.84141890061316 2.19962770502936 0.200977325270815
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lecorguille
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1564 M299T4118 M299T68.6 299 299 299 68.6287722971562 68.6287722971562 68.6287722971562 1 0 1 120 3.87678398291709 0.718534932199822 0.591580070862955
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1565 M299T3060 M299T51 299 299 299 50.9945984359659 50.9945984359659 50.9945984359659 1 1 0 233 1.9054932010504 -0.72143255536783 0.597353368370946
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1566 M299T4175 M299T69.6 299 299 299 69.5904079700352 69.5904079700352 69.5904079700352 1 1 0 4382 Inf -1 0.5
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1567 M299T3547 M299T59.1 299 299 299 59.1135786472845 59.1135786472845 59.1135786472845 1 1 0 2321 1.10715169403335 -0.145466605487254 0.908037775555588
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1568 M299T4121 M299.2T68.7 299.200012207031 299.200012207031 299.200012207031 68.678243954488 68.678243954488 68.678243954488 1 0 1 1712 2.32133808599949 1.38889443108716 0.359372376256081
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1569 M299T2612 M299.2T43.5 299.200012207031 299.200012207031 299.200012207031 43.5373829099392 43.5373829099392 43.5373829099392 1 1 0 4007 Inf -2.77905553302313 0.219894225866298
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1570 M299T3278 M299.3T54.6 299.300018310547 299.300018310547 299.300018310547 54.6385261317052 54.6385261317052 54.6385261317052 1 1 0 1238 4.55681474419895 -0.762405979302982 0.57602784644064
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1571 M299T3194 M299.3T53.2 299.300018310547 299.300018310547 299.300018310547 53.2373156934667 53.2373156934667 53.2373156934667 1 1 0 1751 Inf -1 0.5
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1572 M300T3110 M300T51.8 300 300 300 51.832783151223 51.832783151223 51.832783151223 1 1 0 5342 Inf -1.44000128083956 0.386420083221264
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1573 M300T3859 M300T64.3 300 300 300 64.3168242124962 64.3168242124962 64.3168242124962 1 1 0 [M+Cl]- 265.028 [M-H-CH3]- 316.029 [M-H-CH4S]- 349.007 21 7.10691127701557 -0.850909700738422 0.546751182314329
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1574 M300T3624 M300.1T60.4 300.100006103516 300.100006103516 300.100006103516 60.4061421845945 60.4061421845945 60.4061421845945 1 1 0 1607 8.65122777353988 -1.10663996009488 0.466883381564224
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1575 M300T3366 M300.1T56.1 300.100006103516 300.100006103516 300.100006103516 56.1060472233126 56.1060472233126 56.1060472233126 1 1 0 4652 6.19385521858154 -0.838532445438076 0.555758207462199
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1576 M300T3385 M300.2T56.4 300.200012207031 300.200012207031 300.200012207031 56.415350756882 56.3628026112301 56.4183799730882 3 2 1 [18][M]- 25 13.3918438132368 -15.0441464690194 0.0401257788180613
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1577 M300T3641 M300.2T60.7 300.200012207031 300.200012207031 300.200012207031 60.6860919996338 60.6860919996338 60.6860919996338 1 1 0 59 4.03911841311303 -0.86950950193641 0.534796816707644
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1578 M300T4109 M300.3T68.5 300.300018310547 300.300018310547 300.300018310547 68.4912677521327 68.4912677521327 68.4912677521327 1 1 0 [M-H-CH2O]- 331.313 43 11.5034637527169 -0.909639111664056 0.5282772373473
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1579 M300T3286 M300.3T54.8 300.300018310547 300.300018310547 300.300018310547 54.7710736069409 54.7710736069409 54.7710736069409 1 1 0 [M-H]- 301.309 3790 3.37545377582235 -0.911375485998146 0.496437553551504
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1580 M300T4211 M300.3T70.2 300.300018310547 300.300018310547 300.300018310547 70.1803985718347 70.1803985718347 70.1803985718347 1 0 1 4925 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1581 M300T3973 M300.4T66.2 300.399993896484 300.399993896484 300.399993896484 66.2186471064123 66.2186471064123 66.2186471064123 1 1 0 1986 3.48382039752625 -0.685286243583767 0.603958366221947
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1582 M301T3897 M300.9T65 300.899993896484 300.899993896484 300.899993896484 64.9501855198995 64.9501855198995 64.9501855198995 1 0 1 5752 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1583 M301T3937 M300.9T65.6 300.899993896484 300.899993896484 300.899993896484 65.6156558985987 65.6156558985987 65.6156558985987 1 1 0 4140 Inf -1 0.5
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1584 M301T2928 M300.9T48.8 300.899993896484 300.899993896484 300.899993896484 48.8002477541488 48.8002477541488 48.8002477541488 1 0 1 3624 Inf 1 0.5
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1585 M301T4014 M300.9T66.9 300.899993896484 300.899993896484 300.899993896484 66.8950384564628 66.8950384564628 66.8950384564628 1 0 1 5210 Inf 2.22864023956923 0.268510767526041
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1586 M301T3826 M300.9T63.8 300.899993896484 300.899993896484 300.899993896484 63.7726724045011 63.7726724045011 63.7726724045011 1 1 0 1876 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1587 M301T2789 M301T46.5 301 301 301 46.4793572380422 46.4670382320035 46.4969388603195 4 2 2 [19][M]- [M+Cl]- 266.03 [M-H-C5H8O4]- 434.037 12 1.02634540183423 0.0772096187985598 0.945716019895364
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1588 M301T3827 M301T63.8 301 301 301 63.7758188221628 63.7577616058 63.7938760385256 2 1 1 1864 1.09604593526728 0.0888893934251581 0.940678745287129
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1589 M301T2750 M301T45.8 301 301 301 45.8350469823227 45.827312291308 45.8427816733374 2 2 0 114 1.27197610995798 -0.979426818589091 0.435038027056205
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1590 M301T3849 M301T64.2 301 301 301 64.1582641533436 64.1582641533436 64.1582641533436 1 1 0 [M-H-CH2]- 316.029 [M-H-NaOH]- 342.003 21 1.32148231131964 0.193991127897397 0.865260440197858
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1591 M301T4010 M301T66.8 301 301 301 66.833385720542 66.833385720542 66.833385720542 1 1 0 5211 1.72668954547907 -0.420536396197503 0.746404131236986
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1592 M301T3371 M301.1T56.2 301.100006103516 301.100006103516 301.100006103516 56.1872744421998 56.1872744421998 56.1872744421998 1 1 0 [20][M]- 25 6.33410807777689 -1.24110719198606 0.417377357891821
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1593 M301T3863 M301.1T64.4 301.100006103516 301.100006103516 301.100006103516 64.3753428542879 64.3753428542879 64.3753428542879 1 1 0 [M-H+NaCOOH]- 234.125 21 5.58340518472341 -1.90804466854958 0.285768850285339
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1594 M301T3874 M301.2T64.6 301.200012207031 301.200012207031 301.200012207031 64.5736116646277 64.5679272183167 64.5792961109386 2 1 1 [M-H+NaCOOH]- 234.225 55 2.79932332317687 0.72264936057959 0.588200878169558
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1595 M301T3383 M301.2T56.4 301.200012207031 301.200012207031 301.200012207031 56.3905912921591 56.3628026112301 56.4183799730882 2 2 0 [18][M+1]- 25 26.9891513541972 -23.0932723992107 0.00563372563934461
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1596 M301T2888 M301.2T48.1 301.200012207031 301.200012207031 301.200012207031 48.1254514557187 48.1254514557187 48.1254514557187 1 0 1 3827 Inf 1 0.5
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1597 M301T3670 M301.2T61.2 301.200012207031 301.200012207031 301.200012207031 61.1661317117745 61.1661317117745 61.1661317117745 1 0 1 [M-H-C6H8O6]- 478.236 2 1.05831957230264 0.149761722766301 0.898482147602817
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1598 M301T3985 M301.2T66.4 301.200012207031 301.200012207031 301.200012207031 66.4099814534657 66.4099814534657 66.4099814534657 1 1 0 118 1.64487366079144 0.693140348737927 0.614025541443467
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1599 M301T3562 M301.2T59.4 301.200012207031 301.200012207031 301.200012207031 59.3688063530134 59.3688063530134 59.3688063530134 1 0 1 1661 1.57597536727112 -0.33354540082368 0.782169962617382
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1600 M301T3880 M301.3T64.7 301.300018310547 301.300018310547 301.300018310547 64.6647686154376 64.6647686154376 64.6647686154376 1 1 0 4755 Inf -1 0.5
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1601 M301T3929 M301.3T65.5 301.300018310547 301.300018310547 301.300018310547 65.4885620061155 65.4885620061155 65.4885620061155 1 1 0 2987 Inf -1 0.5
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1602 M301T3752 M301.3T62.5 301.300018310547 301.300018310547 301.300018310547 62.5304175417591 62.5304175417591 62.5304175417591 1 1 0 1045 1.32644994370481 -0.196518663829496 0.863568657133612
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1603 M301T3989 M301.3T66.5 301.300018310547 301.300018310547 301.300018310547 66.489405004446 66.489405004446 66.489405004446 1 1 0 4469 Inf -1 0.5
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1604 M301T3451 M301.3T57.5 301.300018310547 301.300018310547 301.300018310547 57.5216205803072 57.5216205803072 57.5216205803072 1 1 0 3331 Inf -1 0.5
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1605 M301T4110 M301.4T68.5 301.399993896484 301.399993896484 301.399993896484 68.4939886959916 68.4939886959916 68.4939886959916 1 1 0 2292 Inf -1 0.5
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1606 M302T3373 M301.9T56.2 301.899993896484 301.899993896484 301.899993896484 56.2084220817844 56.2084220817844 56.2084220817844 1 0 1 1552 Inf 2.15935261608612 0.276099307396823
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1607 M302T2619 M302T43.7 302 302 302 43.6524697636736 43.6441611378167 43.6677995766058 4 2 2 53 1.10295561752882 -0.922935500312005 0.522323588198503
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1608 M302T2788 M302T46.5 302 302 302 46.4748663035324 46.4484203110933 46.4969388603195 4 2 2 [19][M+1]- 12 1.06187593319681 -0.149545359265764 0.898175476465431
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1609 M302T3149 M302T52.5 302 302 302 52.4788532421081 52.4788532421081 52.4788532421081 1 0 1 3057 1.26855053556878 -0.205148653588062 0.868150091792227
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1610 M302T4156 M302T69.3 302 302 302 69.2595732108891 69.2595732108891 69.2595732108891 1 0 1 6208 1.25226738034472 0.157416013326111 0.889995872826228
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1611 M302T3822 M302T63.7 302 302 302 63.7024252644404 63.7024252644404 63.7024252644404 1 0 1 1877 13.5358991036732 0.923605336541029 0.523930212444727
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1612 M302T3911 M302T65.2 302 302 302 65.1774834379741 65.1774834379741 65.1774834379741 1 1 0 4785 Inf -1 0.5
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1613 M302T3535 M302T58.9 302 302 302 58.9086888375764 58.9086888375764 58.9086888375764 1 0 1 1949 Inf 1 0.5
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1614 M302T3315 M302.1T55.3 302.100006103516 302.100006103516 302.100006103516 55.2500715017082 55.2500715017082 55.2500715017082 1 1 0 4 5.12222696802002 -0.882966757872545 0.537494289854254
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1615 M302T3386 M302.1T56.4 302.100006103516 302.100006103516 302.100006103516 56.4391707450766 56.4391707450766 56.4391707450766 1 0 1 [20][M+1]- 25 4.85255292862943 -1.96568127570138 0.23475223900935
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1616 M302T4405 M302.2T73.4 302.200012207031 302.200012207031 302.200012207031 73.4169025149842 73.4169025149842 73.4169025149842 1 0 1 287 Inf 1 0.5
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1617 M302T3670 M302.2T61.2 302.200012207031 302.200012207031 302.200012207031 61.1744674403 61.1744674403 61.1744674403 1 1 0 2 2.59646859925006 0.701157399753178 0.597492452815652
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1618 M302T2593 M302.2T43.2 302.200012207031 302.200012207031 302.200012207031 43.2243995766058 43.2243995766058 43.2243995766058 1 1 0 61 2.31248344494384 -0.787839284403891 0.562537552378412
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1619 M302T3859 M302.2T64.3 302.200012207031 302.200012207031 302.200012207031 64.3227928759286 64.3227928759286 64.3227928759286 1 1 0 21 1.68426091592386 0.503167049374287 0.703199324272891
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1620 M302T2689 M302.3T44.8 302.300018310547 302.300018310547 302.300018310547 44.8193045146433 44.8193045146433 44.8193045146433 1 1 0 647 6.16699469381834 -0.827043960645801 0.554427069062549
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1621 M302T2733 M302.3T45.5 302.300018310547 302.300018310547 302.300018310547 45.5461336390221 45.5461336390221 45.5461336390221 1 0 1 2472 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1622 M302T4133 M302.3T68.9 302.300018310547 302.300018310547 302.300018310547 68.8857603089572 68.8857603089572 68.8857603089572 1 1 0 1481 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1623 M302T3579 M302.4T59.7 302.399993896484 302.399993896484 302.399993896484 59.6508021446378 59.6508021446378 59.6508021446378 1 1 0 27 Inf -1 0.5
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1624 M302T4016 M302.4T66.9 302.399993896484 302.399993896484 302.399993896484 66.9391540824249 66.9391540824249 66.9391540824249 1 1 0 5970 Inf -1.21257180117018 0.439024202120682
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1625 M302T3767 M302.4T62.8 302.399993896484 302.399993896484 302.399993896484 62.778323278972 62.778323278972 62.778323278972 1 1 0 952 4.61192101523005 -0.765384980562547 0.575000724217814
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1626 M303T3951 M302.8T65.9 302.800018310547 302.800018310547 302.800018310547 65.8539086005212 65.8539086005212 65.8539086005212 1 1 0 3733 Inf -2.72957784502843 0.223562920910513
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1627 M303T3941 M302.9T65.7 302.899993896484 302.899993896484 302.899993896484 65.6861042988527 65.6861042988527 65.6861042988527 1 0 1 4141 Inf 3.07095329761277 0.200409954053999
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1628 M303T3999 M302.9T66.6 302.899993896484 302.899993896484 302.899993896484 66.6482135568189 66.6482135568189 66.6482135568189 1 1 0 6154 Inf -2.12810072079595 0.279655023259808
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1629 M303T3911 M302.9T65.2 302.899993896484 302.899993896484 302.899993896484 65.1774834379741 65.1774834379741 65.1774834379741 1 1 0 4785 Inf -1.21056364159062 0.439542228065285
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1630 M303T4133 M303T68.9 303 303 303 68.891533101347 68.891533101347 68.891533101347 1 0 1 [M-H-H2O]- 322.01 99 2.42393042811197 1.3745359102527 0.378483703979913
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1631 M303T3167 M303T52.8 303 303 303 52.7846349827584 52.7846349827584 52.7846349827584 1 0 1 755 Inf 1 0.5
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1632 M303T3071 M303T51.2 303 303 303 51.1872392060955 51.1872392060955 51.1872392060955 1 0 1 2424 4.75687160174225 0.772884250099439 0.572430020609768
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1633 M303T2956 M303.2T49.3 303.200012207031 303.200012207031 303.200012207031 49.2730186754704 49.2730186754704 49.2730186754704 1 1 0 232 1.2782041679717 -0.171424049258542 0.880468536611882
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1634 M303T3236 M303.2T53.9 303.200012207031 303.200012207031 303.200012207031 53.9374787335219 53.9374787335219 53.9374787335219 1 0 1 2710 2.30465139992943 1.10281679120205 0.402547275436941
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1635 M303T2543 M303.2T42.4 303.200012207031 303.200012207031 303.200012207031 42.3897495766058 42.3897495766058 42.3897495766058 1 1 0 5157 Inf -1 0.5
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1636 M303T3568 M303.2T59.5 303.200012207031 303.200012207031 303.200012207031 59.4651185944102 59.4651185944102 59.4651185944102 1 1 0 1630 3.40024132356723 -1.11674339763006 0.410450914997663
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1637 M303T2567 M303.2T42.8 303.200012207031 303.200012207031 303.200012207031 42.7858714460137 42.7858714460137 42.7858714460137 1 1 0 5860 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1638 M303T3201 M303.3T53.3 303.300018310547 303.300018310547 303.300018310547 53.3471097815159 53.3008988298567 53.3933207331752 2 1 1 30 1.01364982304363 -0.00958623548247203 0.993221805262228
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1639 M303T3630 M303.3T60.5 303.300018310547 303.300018310547 303.300018310547 60.5075637611423 60.5075637611423 60.5075637611423 1 1 0 1608 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1640 M303T3199 M303.4T53.3 303.399993896484 303.399993896484 303.399993896484 53.3140261392106 53.3140261392106 53.3140261392106 1 0 1 30 Inf 1 0.5
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1641 M304T3912 M304T65.2 304 304 304 65.195563930308 65.195563930308 65.195563930308 1 0 1 4817 Inf 1 0.5
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1642 M304T2668 M304T44.5 304 304 304 44.4659690298216 44.4659690298216 44.4659690298216 1 0 1 4041 1.84835969245641 0.449643744041156 0.726317006613581
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1643 M304T2622 M304T43.7 304 304 304 43.697161463341 43.697161463341 43.697161463341 1 0 1 2642 1.34758292806733 0.20713031892447 0.856492664661453
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1644 M304T3199 M304T53.3 304 304 304 53.31564061525 53.31564061525 53.31564061525 1 1 0 30 1.37522110299112 -0.22067122378026 0.847528818815335
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1645 M304T2925 M304.1T48.8 304.100006103516 304.100006103516 304.100006103516 48.7523081893333 48.7022458414622 48.7945378409559 4 2 2 60 1.06655738552995 0.27138203661832 0.830985852083
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1646 M304T4288 M304.2T71.5 304.200012207031 304.200012207031 304.200012207031 71.4607025149842 71.4607025149842 71.4607025149842 1 0 1 263 Inf 1 0.5
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1647 M304T2715 M304.2T45.3 304.200012207031 304.200012207031 304.200012207031 45.2529094053249 45.2529094053249 45.2529094053249 1 0 1 2473 Inf 2.46722748345548 0.245148497951061
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1648 M304T2743 M304.2T45.7 304.200012207031 304.200012207031 304.200012207031 45.7235690783374 45.7235690783374 45.7235690783374 1 1 0 4598 Inf -1.62700503966877 0.350844170641163
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1649 M304T3180 M304.2T53 304.200012207031 304.200012207031 304.200012207031 53.0026153992651 53.0026153992651 53.0026153992651 1 1 0 2213 Inf -2.92878926119249 0.209465061915319
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1650 M304T3410 M304.2T56.8 304.200012207031 304.200012207031 304.200012207031 56.8330184481852 56.8330184481852 56.8330184481852 1 1 0 50 4.57115889351838 -0.820638565236497 0.556151909557572
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1651 M304T3122 M304.2T52 304.200012207031 304.200012207031 304.200012207031 52.0394524912528 52.0394524912528 52.0394524912528 1 1 0 5085 1.02387984287034 -0.0645135422073591 0.95504336912983
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1652 M304T3459 M304.2T57.7 304.200012207031 304.200012207031 304.200012207031 57.6519855855243 57.6519855855243 57.6519855855243 1 1 0 [M-H-H4O2]- 341.23 [M-H-C3H6O]- 363.237 19 11.3854430437713 -0.952281805679247 0.51509333685101
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1653 M304T3883 M304.4T64.7 304.399993896484 304.399993896484 304.399993896484 64.7174644244759 64.7174644244759 64.7174644244759 1 1 0 2231 Inf -1 0.5
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1654 M305T4464 M304.9T74.4 304.899993896484 304.899993896484 304.899993896484 74.4080358483176 74.4080358483176 74.4080358483176 1 0 1 338 Inf 1 0.5
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1655 M305T3304 M305T55.1 305 305 305 55.0657288361012 55.0657288361012 55.0657288361012 1 1 0 5383 2.44203050603095 -0.546462359315894 0.662374920879189
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1656 M305T4086 M305T68.1 305 305 305 68.1020184864605 68.1020184864605 68.1020184864605 1 1 0 4960 1.80741716950214 -0.445910574347346 0.732544417858088
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1657 M305T4017 M305T67 305 305 305 66.951351461537 66.951351461537 66.951351461537 1 1 0 5971 Inf -1.32823080800946 0.410837811908752
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1658 M305T3343 M305T55.7 305 305 305 55.7218214079965 55.7218214079965 55.7218214079965 1 1 0 803 Inf -1 0.5
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1659 M305T3451 M305T57.5 305 305 305 57.5130008796504 57.5130008796504 57.5130008796504 1 1 0 3336 Inf -1 0.5
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1660 M305T3415 M305T56.9 305 305 305 56.9181117184965 56.9181117184965 56.9181117184965 1 0 1 864 Inf 1 0.5
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1661 M305T3970 M305T66.2 305 305 305 66.1592124199295 66.1592124199295 66.1592124199295 1 0 1 2014 7.74735626481719 0.981239521721324 0.505446924685043
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1662 M305T3501 M305.1T58.4 305.100006103516 305.100006103516 305.100006103516 58.3505287619529 58.3317289697945 58.3686104898001 4 2 2 [21][M]- [M-H]- 306.106 76 1.40311941593689 1.30254900629067 0.36346206467812
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1663 M305T2925 M305.1T48.8 305.100006103516 305.100006103516 305.100006103516 48.754902814056 48.7487567967668 48.7945378409559 4 2 2 [22][M]- 60 1.60989400609821 2.34763967046361 0.256351381427076
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1664 M305T2998 M305.1T50 305.100006103516 305.100006103516 305.100006103516 49.9683599018429 49.956319725793 49.9804000778927 2 1 1 1826 1.37295149468048 3.1046188463694 0.196725565429064
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1665 M305T2712 M305.1T45.2 305.100006103516 305.100006103516 305.100006103516 45.192954567823 45.192954567823 45.192954567823 1 1 0 2449 2.43766721548506 -2.10588320123067 0.282235329767107
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1666 M305T3050 M305.1T50.8 305.100006103516 305.100006103516 305.100006103516 50.8309062958886 50.8309062958886 50.8309062958886 1 1 0 3479 1.16958611316849 2.12550199076452 0.195633543441354
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1667 M305T2848 M305.2T47.5 305.200012207031 305.200012207031 305.200012207031 47.4702705792095 47.4702705792095 47.4702705792095 1 0 1 5629 3.0890428409698 0.643401421223251 0.620376547994467
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1668 M305T3287 M305.2T54.8 305.200012207031 305.200012207031 305.200012207031 54.7757035132238 54.7757035132238 54.7757035132238 1 0 1 3800 5.92444504827411 1.2275930101764 0.416506988359959
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1669 M305T2796 M305.2T46.6 305.200012207031 305.200012207031 305.200012207031 46.5922044478449 46.5922044478449 46.5922044478449 1 0 1 3939 Inf 1 0.5
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1670 M305T2612 M305.2T43.5 305.200012207031 305.200012207031 305.200012207031 43.5279180813335 43.5279180813335 43.5279180813335 1 0 1 4008 4.3151938757255 0.7484270737238 0.580894553486608
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1671 M305T3024 M305.2T50.4 305.200012207031 305.200012207031 305.200012207031 50.3939537758457 50.3939537758457 50.3939537758457 1 1 0 2140 1.56041763262446 -0.302381029030035 0.795216864292192
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1672 M305T4111 M305.3T68.5 305.300018310547 305.300018310547 305.300018310547 68.5236887576381 68.5236887576381 68.5236887576381 1 0 1 2293 Inf 1 0.5
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1673 M305T3975 M305.3T66.3 305.300018310547 305.300018310547 305.300018310547 66.2511083848454 66.2511083848454 66.2511083848454 1 1 0 1983 3.553463371311 -1.6489019196083 0.244323630489917
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1674 M305T3402 M305.3T56.7 305.300018310547 305.300018310547 305.300018310547 56.6959090926017 56.6959090926017 56.6959090926017 1 0 1 20 12.2752662661835 5.55765592264319 0.0505702451405385
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1675 M305T3918 M305.4T65.3 305.399993896484 305.399993896484 305.399993896484 65.2982336596082 65.2982336596082 65.2982336596082 1 1 0 2988 Inf -1 0.5
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1676 M305T3397 M305.4T56.6 305.399993896484 305.399993896484 305.399993896484 56.6197962236287 56.6197962236287 56.6197962236287 1 1 0 475 2.69241730032314 -0.589255825213219 0.643109158250097
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1677 M305T3374 M305.4T56.2 305.399993896484 305.399993896484 305.399993896484 56.2345147825909 56.2345147825909 56.2345147825909 1 1 0 1553 4.23332363395108 -0.743321682399938 0.582691950955641
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1678 M306T3387 M305.7T56.4 305.700012207031 305.700012207031 305.700012207031 56.4416944772007 56.3884600288996 56.4949289255018 2 1 1 1554 2.14379293816898 0.483520008137321 0.692905317020641
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1679 M306T3737 M305.9T62.3 305.899993896484 305.899993896484 305.899993896484 62.2900359088911 62.2900359088911 62.2900359088911 1 0 1 155 Inf 1 0.5
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1680 M306T3583 M305.9T59.7 305.899993896484 305.899993896484 305.899993896484 59.7248165926014 59.7248165926014 59.7248165926014 1 0 1 1696 Inf 1 0.5
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1681 M306T4006 M305.9T66.8 305.899993896484 305.899993896484 305.899993896484 66.763646616125 66.763646616125 66.763646616125 1 0 1 6126 4.5178126729602 0.760252701815072 0.576772417079646
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1682 M306T4137 M306T68.9 306 306 306 68.9440961100042 68.9440961100042 68.9440961100042 1 0 1 3968 1.71939150076518 0.72487895846335 0.556028445304492
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1683 M306T3500 M306.1T58.3 306.100006103516 306.100006103516 306.100006103516 58.3265122292451 58.305481552438 58.3686104898001 5 2 2 [21][M+1]- 76 1.41067037881914 1.12217567752376 0.390138538646588
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1684 M306T4120 M306.1T68.7 306.100006103516 306.100006103516 306.100006103516 68.6748679143642 68.6748679143642 68.6748679143642 1 1 0 1713 1.03895213891917 -0.0370470774035158 0.976213398757422
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1685 M306T2638 M306.1T44 306.100006103516 306.100006103516 306.100006103516 43.9601761593611 43.9601761593611 43.9601761593611 1 1 0 2622 1.73505828116507 -0.588408305384388 0.66095795854787
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1686 M306T2927 M306.1T48.8 306.100006103516 306.100006103516 306.100006103516 48.7797731624799 48.7797731624799 48.7797731624799 1 1 0 [22][M+1]- 60 1.01389415678183 -0.027236709084088 0.981087783824466
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1687 M306T3681 M306.2T61.4 306.200012207031 306.200012207031 306.200012207031 61.3553114285312 61.3553114285312 61.3553114285312 1 1 0 [M+Cl+NH3]- 254.206 [M-H-C2N]- 345.207 [M-H-F2]- 345.207 5 14.3039151347279 -0.99526068283149 0.500039467874571
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1688 M306T2980 M306.2T49.7 306.200012207031 306.200012207031 306.200012207031 49.6637401677513 49.6637401677513 49.6637401677513 1 1 0 5282 Inf -1 0.5
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1689 M306T3308 M306.3T55.1 306.300018310547 306.300018310547 306.300018310547 55.1403209090725 55.1403209090725 55.1403209090725 1 1 0 523 Inf -1 0.5
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1690 M306T3952 M306.3T65.9 306.300018310547 306.300018310547 306.300018310547 65.8700934336049 65.8700934336049 65.8700934336049 1 0 1 5454 4.73501464652693 1.14157457072291 0.431774715018596
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1691 M306T3891 M306.3T64.9 306.300018310547 306.300018310547 306.300018310547 64.8557397281843 64.8557397281843 64.8557397281843 1 0 1 138 1.96888037072285 0.470312685596002 0.709867378189544
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1692 M306T3479 M306.3T58 306.300018310547 306.300018310547 306.300018310547 57.985984878753 57.985984878753 57.985984878753 1 0 1 1785 4.39293813265077 0.75309597811295 0.579260312070825
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1693 M306T3456 M306.3T57.6 306.300018310547 306.300018310547 306.300018310547 57.592710737334 57.592710737334 57.592710737334 1 1 0 1269 Inf -1 0.5
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1694 M307T3918 M306.8T65.3 306.800018310547 306.800018310547 306.800018310547 65.2982336596082 65.2982336596082 65.2982336596082 1 1 0 2989 Inf -1 0.5
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1695 M307T3322 M306.9T55.4 306.899993896484 306.899993896484 306.899993896484 55.3591588750604 55.3591588750604 55.3591588750604 1 0 1 1144 Inf 5.35619020585518 0.11750401783997
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1696 M307T3531 M306.9T58.9 306.899993896484 306.899993896484 306.899993896484 58.8569191487398 58.8569191487398 58.8569191487398 1 0 1 1950 Inf 1 0.5
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1697 M307T2606 M306.9T43.4 306.899993896484 306.899993896484 306.899993896484 43.4330662432725 43.4330662432725 43.4330662432725 1 1 0 4009 2.2107280573708 -1.21072487097655 0.439498987040802
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1698 M307T2785 M306.9T46.4 306.899993896484 306.899993896484 306.899993896484 46.4226044213745 46.4226044213745 46.4226044213745 1 0 1 897 Inf 1 0.5
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1699 M307T2620 M307T43.7 307 307 307 43.6677995766058 43.6583347480001 43.6733380065034 3 2 1 [23][M]- 53 1.17482292374467 -0.541905087988168 0.64323087283746
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1700 M307T3856 M307T64.3 307 307 307 64.2668957772125 64.2668957772125 64.2668957772125 1 0 1 [M-H-H2S]- 342.003 [M-H-N2O]- 352.005 [M-H-CO2]- 352.005 21 1.75297791405038 -0.648387417531104 0.596342863321928
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1701 M307T4039 M307T67.3 307 307 307 67.3175840904329 67.3175840904329 67.3175840904329 1 1 0 92 4.09973309060554 -1.7067975776929 0.336592387078932
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1702 M307T3141 M307.1T52.3 307.100006103516 307.100006103516 307.100006103516 52.3462230688094 52.3319004780806 52.3605456595381 2 1 1 [24][M]- 67 7.71807442578199 -0.965020596501004 0.511157964032511
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1703 M307T2856 M307.1T47.6 307.100006103516 307.100006103516 307.100006103516 47.6078887989992 47.6078887989992 47.6078887989992 1 1 0 [M-H-NaOH]- 348.108 111 7.99065450941417 -0.955627381014863 0.513340887389908
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1704 M307T3292 M307.2T54.9 307.200012207031 307.200012207031 307.200012207031 54.8699801087332 54.8699801087332 54.8699801087332 1 0 1 5761 1.90881226126106 0.475857246002785 0.717111101480569
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1705 M307T2775 M307.2T46.2 307.200012207031 307.200012207031 307.200012207031 46.2457061740961 46.2457061740961 46.2457061740961 1 1 0 5122 3.09825382827592 -0.644498567254362 0.619933986850563
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1706 M307T3656 M307.3T60.9 307.300018310547 307.300018310547 307.300018310547 60.9310993232382 60.9310993232382 60.9310993232382 1 0 1 47 Inf 1 0.5
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1707 M307T4091 M307.3T68.2 307.300018310547 307.300018310547 307.300018310547 68.176647081503 68.176647081503 68.176647081503 1 1 0 4972 Inf -1.40315564130998 0.394185401121918
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1708 M307T3981 M307.3T66.3 307.300018310547 307.300018310547 307.300018310547 66.3495065615317 66.3495065615317 66.3495065615317 1 1 0 5541 Inf -1.34253918696219 0.407564992687777
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1709 M307T3986 M307.4T66.4 307.399993896484 307.399993896484 307.399993896484 66.43645714967 66.43645714967 66.43645714967 1 1 0 4492 Inf -1 0.5
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1710 M308T3902 M307.8T65 307.800018310547 307.800018310547 307.800018310547 65.0290352273566 65.0290352273566 65.0290352273566 1 0 1 4818 Inf 1 0.5
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1711 M308T3090 M308T51.5 308 308 308 51.4933689682278 51.4933689682278 51.4933689682278 1 1 0 5361 1.93232484411089 -0.428507736033071 0.721760703217032
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1712 M308T2622 M308T43.7 308 308 308 43.6943514696204 43.6943514696204 43.6943514696204 1 1 0 [23][M+1]- 53 1.18870197808207 -1.19950555544667 0.378715031422453
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1713 M308T3611 M308T60.2 308 308 308 60.1758107539694 60.1758107539694 60.1758107539694 1 1 0 2578 1.84177047027623 -0.401658224045918 0.736569688251484
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1714 M308T4186 M308T69.8 308 308 308 69.7730173200639 69.7730173200639 69.7730173200639 1 1 0 6060 Inf -1.73034424998976 0.333605141246693
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1715 M308T3255 M308.1T54.3 308.100006103516 308.100006103516 308.100006103516 54.2513997954515 54.2389952098244 54.2738637650085 3 2 1 [M-H-C3H3]- 348.127 [M-H-HC2N]- 348.127 34 4.8707288215545 -1.05797956009285 0.480435209103312
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1716 M308T2856 M308.1T47.6 308.100006103516 308.100006103516 308.100006103516 47.6078887989992 47.6078887989992 47.6078887989992 1 1 0 [M-H-HC2N]- 348.108 111 3.2225386975613 -0.889084609922318 0.537048009137924
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1717 M308T3138 M308.1T52.3 308.100006103516 308.100006103516 308.100006103516 52.3059069442773 52.3059069442773 52.3059069442773 1 1 0 [24][M+1]- 67 6.10991694939565 -0.956511750098571 0.513622473013973
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1718 M308T3492 M308.2T58.2 308.200012207031 308.200012207031 308.200012207031 58.1941890144878 58.1941890144878 58.1941890144878 1 1 0 [M-H-C3H2]- 347.229 31 3.80964023633714 -0.993872742980029 0.498652165416103
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1719 M308T2702 M308.2T45 308.200012207031 308.200012207031 308.200012207031 45.0339875158048 45.0339875158048 45.0339875158048 1 0 1 4864 1.25624243371857 -1.17551451584198 0.44799048001446
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1720 M308T3842 M308.2T64 308.200012207031 308.200012207031 308.200012207031 64.0342390219633 64.0342390219633 64.0342390219633 1 1 0 1341 1.41636744902832 -1.14955879586808 0.453055829306681
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1721 M308T2741 M308.3T45.7 308.300018310547 308.300018310547 308.300018310547 45.679628292913 45.679628292913 45.679628292913 1 0 1 4429 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1722 M308T4072 M308.3T67.9 308.300018310547 308.300018310547 308.300018310547 67.8667442815185 67.8667442815185 67.8667442815185 1 1 0 96 Inf -2.26243057410056 0.264950545943567
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1723 M308T3348 M308.3T55.8 308.300018310547 308.300018310547 308.300018310547 55.7955624154483 55.7955624154483 55.7955624154483 1 1 0 692 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1724 M308T3605 M308.3T60.1 308.300018310547 308.300018310547 308.300018310547 60.0913414137119 60.0913414137119 60.0913414137119 1 0 1 1447 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1725 M308T4182 M308.4T69.7 308.399993896484 308.399993896484 308.399993896484 69.6947584361798 69.6947584361798 69.6947584361798 1 1 0 5999 Inf -1.57144941981319 0.360787199888823
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1726 M309T3290 M309T54.8 309 309 309 54.8282134948367 54.8282134948367 54.8282134948367 1 0 1 38 5.18372691797512 1.50421873528788 0.331477677795473
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1727 M309T3212 M309T53.5 309 309 309 53.5277821482194 53.5277821482194 53.5277821482194 1 1 0 4307 3.79913407834533 -0.712512713058879 0.593781978466227
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1728 M309T2925 M309.1T48.8 309.100006103516 309.100006103516 309.100006103516 48.7523081893333 48.7022458414622 48.7945378409559 4 2 2 [25][M]- 60 1.03547064033728 -0.097879972606439 0.935926371535733
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1729 M309T3461 M309.1T57.7 309.100006103516 309.100006103516 309.100006103516 57.6778499237897 57.6778499237897 57.6778499237897 1 1 0 [26][M]- 19 11.5837913125481 -1.02682053652803 0.491506901259326
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1730 M309T3253 M309.1T54.2 309.100006103516 309.100006103516 309.100006103516 54.2211441238678 54.2211441238678 54.2211441238678 1 1 0 [M-H-C3H2]- 348.127 34 2.17503883656825 -0.989930385806725 0.496692837081529
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1731 M309T3666 M309.2T61.1 309.200012207031 309.200012207031 309.200012207031 61.0919766134264 61.0355325819179 61.1730685200639 4 2 2 [M-H-H2]- 312.214 2 1.05097241711971 0.243009734428466 0.83425885278622
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1732 M309T3017 M309.2T50.3 309.200012207031 309.200012207031 309.200012207031 50.289651646616 50.289651646616 50.289651646616 1 1 0 2141 5.10051623236193 -0.788921719668455 0.56700100103119
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1733 M309T2891 M309.2T48.2 309.200012207031 309.200012207031 309.200012207031 48.1777245677541 48.1777245677541 48.1777245677541 1 0 1 3822 3.78873347649291 0.711687194406405 0.59408515687457
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1734 M309T3733 M309.3T62.2 309.300018310547 309.300018310547 309.300018310547 62.2111367743379 62.2111367743379 62.2111367743379 1 0 1 3554 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1735 M309T4180 M309.3T69.7 309.300018310547 309.300018310547 309.300018310547 69.6686714714612 69.6686714714612 69.6686714714612 1 1 0 6000 Inf -2.13693960913559 0.278640713779368
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1736 M309T3985 M309.3T66.4 309.300018310547 309.300018310547 309.300018310547 66.4220189278529 66.4220189278529 66.4220189278529 1 0 1 4493 5.81398894616767 1.04325277633252 0.486187673150036
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1737 M309T4149 M309.4T69.1 309.399993896484 309.399993896484 309.399993896484 69.143594352247 69.143594352247 69.143594352247 1 0 1 5614 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1738 M310T3461_1 M310.1T57.7_1 310.100006103516 310.100006103516 310.100006103516 57.6778499237897 57.6778499237897 57.6778499237897 1 1 0 [26][M+1]- 19 6.75870664536104 -0.97259234380291 0.50699746872425
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1739 M310T4201 M310.1T70 310.100006103516 310.100006103516 310.100006103516 70.0205173606857 70.0205173606857 70.0205173606857 1 0 1 5698 2.00117589378012 -0.580830497135768 0.625504496967713
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1740 M310T2926 M310.1T48.8 310.100006103516 310.100006103516 310.100006103516 48.7688515549408 48.7688515549408 48.7688515549408 1 1 0 [25][M+1]- 60 1.07170104918781 -0.265980632038686 0.831225679097833
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1741 M310T3461_2 M310.2T57.7_2 310.200012207031 310.200012207031 310.200012207031 57.6751768134486 57.6192757969965 57.7310778299006 2 1 1 1256 1.62638422073012 0.65153998432665 0.587206775006855
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1742 M310T3484 M310.2T58.1 310.200012207031 310.200012207031 310.200012207031 58.0652451156923 58.0652451156923 58.0652451156923 1 1 0 [M-H-H4O2]- 347.229 31 1.79297273376128 -0.660514357018718 0.607923450214355
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1743 M310T2522 M310.2T42 310.200012207031 310.200012207031 310.200012207031 42.0270444711501 42.0270444711501 42.0270444711501 1 0 1 5045 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1744 M310T2584 M310.2T43.1 310.200012207031 310.200012207031 310.200012207031 43.0703444711501 43.0703444711501 43.0703444711501 1 0 1 5740 4.33657193966435 2.58791945779709 0.127524896554223
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1745 M310T2803 M310.2T46.7 310.200012207031 310.200012207031 310.200012207031 46.7105168769603 46.7105168769603 46.7105168769603 1 0 1 5175 6.5574708383261 1.38469404944724 0.397175983677561
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1746 M310T4126 M310.3T68.8 310.300018310547 310.300018310547 310.300018310547 68.7601422840924 68.7601422840924 68.7601422840924 1 0 1 23 5.68596310631062 1.0844916514734 0.459438015008966
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1747 M310T3737 M310.3T62.3 310.300018310547 310.300018310547 310.300018310547 62.2900359088911 62.2900359088911 62.2900359088911 1 0 1 5203 8.13732885724967 6.28094786408808 0.0446008018619173
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1748 M310T3510 M310.3T58.5 310.300018310547 310.300018310547 310.300018310547 58.5049043819478 58.5049043819478 58.5049043819478 1 1 0 4520 Inf -1.97472354428622 0.29841837655051
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1749 M310T3318 M310.3T55.3 310.300018310547 310.300018310547 310.300018310547 55.3026466544419 55.3026466544419 55.3026466544419 1 1 0 524 2.83753144735944 -0.644882601822231 0.633920053330453
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1750 M310T3985 M310.3T66.4 310.300018310547 310.300018310547 310.300018310547 66.4220189278529 66.4220189278529 66.4220189278529 1 0 1 4494 1.68379444001105 0.43928733767285 0.718324180556665
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1751 M310T3978 M310.4T66.3 310.399993896484 310.399993896484 310.399993896484 66.297163447162 66.297163447162 66.297163447162 1 1 0 2015 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1752 M311T4184 M310.9T69.7 310.899993896484 310.899993896484 310.899993896484 69.7330875131631 69.7330875131631 69.7330875131631 1 0 1 6001 2.14016880869614 0.482657996158487 0.693341856905797
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1753 M311T2554 M310.9T42.6 310.899993896484 310.899993896484 310.899993896484 42.5628680813334 42.5628680813334 42.5628680813334 1 0 1 3060 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1754 M311T3332 M311T55.5 311 311 311 55.539442159859 55.539442159859 55.539442159859 1 0 1 1097 Inf 1.72852080812628 0.333896010118371
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1755 M311T4173 M311T69.5 311 311 311 69.548925578163 69.548925578163 69.548925578163 1 0 1 4383 Inf 3.28367209251851 0.188193757359205
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1756 M311T3374 M311T56.2 311 311 311 56.2340634673228 56.2340634673228 56.2340634673228 1 0 1 25 4.01058393040371 2.61633733339636 0.151578880004619
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1757 M311T4134 M311.1T68.9 311.100006103516 311.100006103516 311.100006103516 68.8983652081321 68.8848901412914 68.9109701073071 4 2 1 99 1.27670509973367 0.62042470734312 0.628292603321572
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1758 M311T3869 M311.1T64.5 311.100006103516 311.100006103516 311.100006103516 64.477130406166 64.477130406166 64.477130406166 1 0 1 1365 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1759 M311T3080 M311.1T51.3 311.100006103516 311.100006103516 311.100006103516 51.3364250393991 51.3364250393991 51.3364250393991 1 0 1 3533 1.01926364572715 0.209314419077127 0.868138432905383
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1760 M311T3065 M311.1T51.1 311.100006103516 311.100006103516 311.100006103516 51.0873405949692 51.0873405949692 51.0873405949692 1 1 0 48 1.00300895026833 0.0158399016860943 0.9888053470196
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1761 M311T3069 M311.2T51.2 311.200012207031 311.200012207031 311.200012207031 51.1542737390657 51.1542737390657 51.1542737390657 1 0 1 2425 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1762 M311T3864 M311.2T64.4 311.200012207031 311.200012207031 311.200012207031 64.401627072705 64.401627072705 64.401627072705 1 1 0 21 1.29251531529478 0.293622958863995 0.815390782222464
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1763 M311T2870 M311.2T47.8 311.200012207031 311.200012207031 311.200012207031 47.8373313692403 47.8373313692403 47.8373313692403 1 0 1 4760 Inf 2.12126807364304 0.280443848322685
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1764 M311T3667 M311.2T61.1 311.200012207031 311.200012207031 311.200012207031 61.1232252152794 61.1232252152794 61.1232252152794 1 1 0 [M-H]- 312.214 2 1.25336830374895 -0.318306280121755 0.803444830646845
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1765 M311T3515 M311.3T58.6 311.300018310547 311.300018310547 311.300018310547 58.5840660136089 58.5831744152706 58.5849576119471 2 1 1 436 1.32113759173249 -0.193815262048144 0.865378244022296
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1766 M311T3694 M311.3T61.6 311.300018310547 311.300018310547 311.300018310547 61.5669160088384 61.5669160088384 61.5669160088384 1 0 1 587 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1767 M311T3203 M311.4T53.4 311.399993896484 311.399993896484 311.399993896484 53.384275096937 53.3668933727213 53.4016568211527 2 1 1 2167 1.40889458679299 -0.38262054624268 0.748731922076779
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1768 M312T3195 M311.5T53.2 311.5 311.5 311.5 53.2483778067555 53.1851468207896 53.3116087927214 2 1 1 1752 1.82669949111185 0.396973411385965 0.739201385142963
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1769 M312T4224 M311.9T70.4 311.899993896484 311.899993896484 311.899993896484 70.4041939341676 70.4041939341676 70.4041939341676 1 1 0 5418 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1770 M312T3910 M312T65.2 312 312 312 65.1660796385041 65.1660796385041 65.1660796385041 1 1 0 4819 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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1771 M312T3434 M312T57.2 312 312 312 57.2306623113142 57.2306623113142 57.2306623113142 1 1 0 4888 1.85791519962574 -0.406606348373464 0.733805379031935
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1772 M312T3934 M312T65.6 312 312 312 65.5627445235485 65.5627445235485 65.5627445235485 1 1 0 2941 1.86791264343102 -0.409634464791759 0.732121485405227
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1773 M312T2998 M312.1T50 312.100006103516 312.100006103516 312.100006103516 49.9642866151274 49.9506321458987 49.9821277763062 3 2 1 32 1.03492720881373 -0.242453176287862 0.843164318254268
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1774 M312T4086 M312.1T68.1 312.100006103516 312.100006103516 312.100006103516 68.1020184864605 68.1020184864605 68.1020184864605 1 1 0 4973 1.68533609908312 -1.670358324764 0.242824596986124
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1775 M312T3836 M312.1T63.9 312.100006103516 312.100006103516 312.100006103516 63.9252990982341 63.9252990982341 63.9252990982341 1 0 1 3352 5.6735164146503 0.811237601936667 0.55958868072743
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1776 M312T3853 M312.2T64.2 312.200012207031 312.200012207031 312.200012207031 64.2160261564633 64.1617841826784 64.2702681302482 2 1 1 21 1.04968318487481 0.575824746825189 0.634130932246785
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1777 M312T3889 M312.2T64.8 312.200012207031 312.200012207031 312.200012207031 64.8140131153967 64.8140131153967 64.8140131153967 1 1 0 [M-H]- 313.212 41 1.30224305029915 -0.4850934363034 0.691054153845465
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1778 M312T4133 M312.2T68.9 312.200012207031 312.200012207031 312.200012207031 68.8851037723597 68.8851037723597 68.8851037723597 1 0 1 [M-H]- 313.207 23 1.33517257355241 0.982825887990058 0.433306585032657
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1779 M312T3647 M312.2T60.8 312.200012207031 312.200012207031 312.200012207031 60.7880664087671 60.7880664087671 60.7880664087671 1 1 0 24 6.18104045483576 -1.02712111954865 0.491418829718683
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1780 M312T2952 M312.3T49.2 312.300018310547 312.300018310547 312.300018310547 49.2066988534406 49.2066988534406 49.2066988534406 1 1 0 3182 Inf -1.22188871513407 0.436634116154118
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1781 M312T3054 M312.3T50.9 312.300018310547 312.300018310547 312.300018310547 50.8984790615334 50.8984790615334 50.8984790615334 1 0 1 3474 Inf 1 0.5
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1782 M312T3102 M312.3T51.7 312.300018310547 312.300018310547 312.300018310547 51.7021210992262 51.7021210992262 51.7021210992262 1 0 1 3131 Inf 1 0.5
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1783 M312T3167 M312.3T52.8 312.300018310547 312.300018310547 312.300018310547 52.7913443052623 52.7913443052623 52.7913443052623 1 0 1 770 Inf 1 0.5
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1784 M312T3757 M312.4T62.6 312.399993896484 312.399993896484 312.399993896484 62.61559218552 62.5833110048213 62.6478733662186 2 2 0 972 Inf -12.4227871030483 0.0511358708219252
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1785 M312T3604 M312.4T60.1 312.399993896484 312.399993896484 312.399993896484 60.0745266554824 60.0745266554824 60.0745266554824 1 1 0 1448 Inf -1 0.5
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1786 M312T3404 M312.4T56.7 312.399993896484 312.399993896484 312.399993896484 56.728532551764 56.728532551764 56.728532551764 1 1 0 1314 Inf -1 0.5
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1787 M313T2785 M313T46.4 313 313 313 46.4120694043609 46.3676942436727 46.4743610582872 4 2 2 [27][M]- [M+HCOO]- 268.009 12 1.49839731902987 -0.433902582564272 0.71072179370597
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1788 M313T3037 M313T50.6 313 313 313 50.6110829014659 50.6110829014659 50.6110829014659 1 0 1 3214 1.60470043092916 0.375934556662714 0.77061514698417
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1789 M313T3752 M313T62.5 313 313 313 62.5304175417591 62.5304175417591 62.5304175417591 1 1 0 1046 Inf -1 0.5
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1790 M313T3976 M313T66.3 313 313 313 66.2643266359994 66.2643266359994 66.2643266359994 1 0 1 2016 Inf 1 0.5
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1791 M313T4098 M313T68.3 313 313 313 68.3077506242246 68.3077506242246 68.3077506242246 1 1 0 5091 Inf -1 0.5
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1792 M313T3631 M313T60.5 313 313 313 60.5181900387194 60.5181900387194 60.5181900387194 1 1 0 2359 Inf -1 0.5
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1793 M313T3278 M313.1T54.6 313.100006103516 313.100006103516 313.100006103516 54.6385261317052 54.5833089406657 54.8282134948367 3 1 2 1224 3.30832321636145 -1.08050186835579 0.470748983893309
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1794 M313T2768 M313.1T46.1 313.100006103516 313.100006103516 313.100006103516 46.1404981498814 46.1404981498814 46.1404981498814 1 1 0 3801 2.2804869091825 -1.05646812835547 0.47972195716977
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1795 M313T4204 M313.1T70.1 313.100006103516 313.100006103516 313.100006103516 70.0638491424957 70.0638491424957 70.0638491424957 1 1 0 198 1.08434244493115 0.125320067313027 0.915238082731962
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1796 M313T3286 M313.2T54.8 313.200012207031 313.200012207031 313.200012207031 54.7705076175099 54.6180701143941 54.9296169402431 4 2 2 93 2.09997573539439 1.43784025391189 0.381958390932553
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1797 M313T3788 M313.2T63.1 313.200012207031 313.200012207031 313.200012207031 63.1258870427501 63.0288128162637 63.2229612692366 2 1 1 117 1.16405507229026 0.118045468638469 0.916972632865324
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1798 M313T2649 M313.2T44.1 313.200012207031 313.200012207031 313.200012207031 44.1462261251527 44.1462261251527 44.1462261251527 1 1 0 5676 3.6619038103435 -0.701241010231307 0.597950141420707
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1799 M313T4136 M313.2T68.9 313.200012207031 313.200012207031 313.200012207031 68.937955126004 68.937955126004 68.937955126004 1 1 0 99 1.18287359575243 -0.148305786251181 0.90345408668726
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1800 M313T3498 M313.2T58.3 313.200012207031 313.200012207031 313.200012207031 58.2970503672956 58.2970503672956 58.2970503672956 1 1 0 3363 2.96982144164642 -0.89064051044576 0.493874606095248
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1801 M313T4096 M313.3T68.3 313.300018310547 313.300018310547 313.300018310547 68.2610316620453 68.2610316620453 68.2610316620453 1 0 1 5092 Inf 5.71256930766567 0.11032409571592
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1802 M313T4177 M313.4T69.6 313.399993896484 313.399993896484 313.399993896484 69.6189121737951 69.6189121737951 69.6189121737951 1 1 0 4384 Inf -1 0.5
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1803 M314T4049 M313.9T67.5 313.899993896484 313.899993896484 313.899993896484 67.4890654787083 67.4890654787083 67.4890654787083 1 0 1 3419 Inf 1 0.5
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1804 M314T2784 M314T46.4 314 314 314 46.3987654129082 46.3676942436727 46.5002415243792 4 2 2 [27][M+1]- 12 1.60344190998247 -0.487546733490512 0.677632536435033
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1805 M314T3674 M314T61.2 314 314 314 61.2258879033719 61.2258879033719 61.2258879033719 1 1 0 3689 Inf -1 0.5
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1806 M314T2572 M314T42.9 314 314 314 42.8616778044834 42.8616778044834 42.8616778044834 1 0 1 5293 4.11280561943624 1.12224282035912 0.428209154439452
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1807 M314T3818 M314T63.6 314 314 314 63.635902312864 63.635902312864 63.635902312864 1 0 1 2380 Inf 3.25443483220575 0.189786448431155
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1808 M314T3207 M314T53.4 314 314 314 53.4418189432457 53.4418189432457 53.4418189432457 1 0 1 4308 4.88255411214698 1.1102544693419 0.444154151029953
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1809 M314T3577 M314T59.6 314 314 314 59.6168033121876 59.6168033121876 59.6168033121876 1 0 1 1662 Inf 1 0.5
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1810 M314T3286 M314.1T54.8 314.100006103516 314.100006103516 314.100006103516 54.7732794105203 54.565562819362 54.947299031165 4 2 2 93 1.17300048151751 0.759042259444419 0.543397233016258
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1811 M314T2767 M314.1T46.1 314.100006103516 314.100006103516 314.100006103516 46.1218189763299 46.1218189763299 46.1218189763299 1 0 1 3803 3.60201931677711 1.83802883605262 0.207448482118926
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1812 M314T3786 M314.1T63.1 314.100006103516 314.100006103516 314.100006103516 63.1080703628007 63.1080703628007 63.1080703628007 1 0 1 117 1.33467393755434 -0.237673046084139 0.838936927878662
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1813 M314T3287 M314.2T54.8 314.200012207031 314.200012207031 314.200012207031 54.7841116333099 54.7757035132238 54.7925197533959 2 0 2 2101 2.5726556364304 11.7108760443722 0.00892365487300095
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1814 M314T3274 M314.2T54.6 314.200012207031 314.200012207031 314.200012207031 54.5612954789162 54.5322146845416 54.5903762732908 2 2 0 5007 5.61019688299328 -3.7296353673911 0.0745972443661762
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1815 M314T4124 M314.2T68.7 314.200012207031 314.200012207031 314.200012207031 68.7273495296124 68.7273495296124 68.7273495296124 1 1 0 1714 5.26823704252452 -0.795970492345488 0.564642714400327
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1816 M314T3779 M314.2T63 314.200012207031 314.200012207031 314.200012207031 62.9759738518984 62.9759738518984 62.9759738518984 1 0 1 88 3.83565324836364 0.896082283746138 0.530990127352008
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1817 M314T4119 M314.3T68.7 314.300018310547 314.300018310547 314.300018310547 68.6550448101035 68.6550448101035 68.6550448101035 1 0 1 4553 4.90970351696496 0.780300851056132 0.569908055526069
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1818 M314T3727 M314.3T62.1 314.300018310547 314.300018310547 314.300018310547 62.1152861364611 62.1152861364611 62.1152861364611 1 0 1 3555 Inf 1 0.5
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1819 M314T2758 M314.3T46 314.300018310547 314.300018310547 314.300018310547 45.9742855204777 45.9742855204777 45.9742855204777 1 0 1 5489 Inf 1 0.5
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1820 M314T3824 M314.3T63.7 314.300018310547 314.300018310547 314.300018310547 63.7285993743001 63.7285993743001 63.7285993743001 1 0 1 1878 1.90698142564383 0.421210899392411 0.725738840337444
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1821 M314T4227 M314.4T70.4 314.399993896484 314.399993896484 314.399993896484 70.4434858483176 70.4434858483176 70.4434858483176 1 0 1 5419 Inf 1 0.5
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1822 M314T4045 M314.5T67.4 314.5 314.5 314.5 67.4222089875073 67.4222089875073 67.4222089875073 1 1 0 4109 Inf -1 0.5
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1823 M315T4180 M314.9T69.7 314.899993896484 314.899993896484 314.899993896484 69.6712671024032 69.6712671024032 69.6712671024032 1 1 0 6002 Inf -1 0.5
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1824 M315T3807 M314.9T63.5 314.899993896484 314.899993896484 314.899993896484 63.4513252462169 63.4513252462169 63.4513252462169 1 0 1 3709 3.34992369796417 0.672175719264812 0.608994423607251
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1825 M315T4121 M315T68.7 315 315 315 68.6813180349399 68.6813180349399 68.6813180349399 1 0 1 1715 1.34258751155123 0.963743517977867 0.487780583626035
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1826 M315T3670 M315T61.2 315 315 315 61.1730685200639 61.1730685200639 61.1730685200639 1 0 1 2 2.7080567072509 0.811622161941523 0.523430756615335
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1827 M315T3318 M315T55.3 315 315 315 55.3005987432912 55.3005987432912 55.3005987432912 1 0 1 525 5.10593877639197 0.94950988656205 0.503270017906047
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1828 M315T3484 M315.1T58.1 315.100006103516 315.100006103516 315.100006103516 58.0624886413588 58.0624886413588 58.0624886413588 1 0 1 31 1.02648563512482 -0.128823736329894 0.918316949996075
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1829 M315T3857 M315.2T64.3 315.200012207031 315.200012207031 315.200012207031 64.2904575688701 64.2904575688701 64.2904575688701 1 1 0 [M-H-C2N2]- 368.207 21 2.28277105799669 -0.514715041983025 0.677443197264612
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1830 M315T3433 M315.2T57.2 315.200012207031 315.200012207031 315.200012207031 57.2211040099898 57.2211040099898 57.2211040099898 1 1 0 4889 2.37601761868061 -0.631896958526058 0.610064510045439
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1831 M315T3780 M315.2T63 315.200012207031 315.200012207031 315.200012207031 63.0023932176446 63.0023932176446 63.0023932176446 1 0 1 3668 Inf 1.79372949616851 0.323772938841232
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1832 M315T4211 M315.2T70.2 315.200012207031 315.200012207031 315.200012207031 70.1751457416704 70.1751457416704 70.1751457416704 1 0 1 4926 6.10174093637594 0.934127882556031 0.513424748119437
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1833 M315T3186 M315.2T53.1 315.200012207031 315.200012207031 315.200012207031 53.106902764706 53.106902764706 53.106902764706 1 1 0 2185 Inf -1 0.5
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1834 M315T3367 M315.2T56.1 315.200012207031 315.200012207031 315.200012207031 56.1101960927151 56.1101960927151 56.1101960927151 1 1 0 4647 3.61318219882499 -1.45919296731679 0.298171955677934
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1835 M315T4476 M315.4T74.6 315.399993896484 315.399993896484 315.399993896484 74.5984066931594 74.5984066931594 74.5984066931594 1 1 0 304 14.9608160349604 -0.931081122649915 0.521605032197785
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1836 M316T2980 M315.9T49.7 315.899993896484 315.899993896484 315.899993896484 49.6634559810655 49.6634559810655 49.6634559810655 1 0 1 5279 Inf 1 0.5
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1837 M316T3175 M315.9T52.9 315.899993896484 315.899993896484 315.899993896484 52.9244068046548 52.9244068046548 52.9244068046548 1 1 0 771 Inf -1 0.5
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1838 M316T4040 M315.9T67.3 315.899993896484 315.899993896484 315.899993896484 67.3336705133933 67.3336705133933 67.3336705133933 1 0 1 5305 1.4193030836497 0.241504977129675 0.833889457777791
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1839 M316T3104 M316T51.7 316 316 316 51.7296528300039 51.7296528300039 51.7296528300039 1 1 0 3132 Inf -1 0.5
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1840 M316T3618 M316T60.3 316 316 316 60.2943137537896 60.2943137537896 60.2943137537896 1 0 1 2579 Inf 1 0.5
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1841 M316T3769 M316T62.8 316 316 316 62.8169163944725 62.8169163944725 62.8169163944725 1 0 1 947 1.02109945980322 0.0167156432540947 0.988307630991822
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1842 M316T2672 M316.2T44.5 316.200012207031 316.200012207031 316.200012207031 44.5276376934313 44.5276376934313 44.5276376934313 1 1 0 4042 20.8670323345143 -0.950986142909877 0.51540936165611
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1843 M316T4133 M316.2T68.9 316.200012207031 316.200012207031 316.200012207031 68.891533101347 68.891533101347 68.891533101347 1 0 1 [M+Cl]- 281.226 [M-H-CH4O2]- 365.23 99 1.38327523048747 0.277036041763821 0.812559342299628
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1844 M316T3082 M316.2T51.4 316.200012207031 316.200012207031 316.200012207031 51.3718936410587 51.3718936410587 51.3718936410587 1 0 1 83 25.0666828045382 1.00213696258268 0.499266495177869
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1845 M316T3659 M316.2T61 316.200012207031 316.200012207031 316.200012207031 60.9885726042053 60.9885726042053 60.9885726042053 1 0 1 2 1.72795534654841 0.620295417972569 0.598879826423366
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1846 M316T4105 M316.3T68.4 316.300018310547 316.300018310547 316.300018310547 68.4126241167387 68.4126241167387 68.4126241167387 1 1 0 5645 Inf -1 0.5
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1847 M316T2871 M316.3T47.8 316.300018310547 316.300018310547 316.300018310547 47.8469642025984 47.8469642025984 47.8469642025984 1 0 1 4761 Inf 1 0.5
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1848 M316T3934 M316.3T65.6 316.300018310547 316.300018310547 316.300018310547 65.5664103685869 65.5664103685869 65.5664103685869 1 1 0 2959 Inf -1 0.5
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1849 M316T3962 M316.3T66 316.300018310547 316.300018310547 316.300018310547 66.0277960558264 66.0277960558264 66.0277960558264 1 0 1 6131 Inf 1.21327243742106 0.438843705803714
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1850 M316T4116 M316.4T68.6 316.399993896484 316.399993896484 316.399993896484 68.6025004657669 68.6025004657669 68.6025004657669 1 0 1 4540 Inf 1.1151510373073 0.465375932564808
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1851 M317T2787 M317T46.5 317 317 317 46.4576896496466 46.4484203110933 46.4920429574181 3 1 2 [M-H]- 318.007 12 1.14604989301242 0.183710142116942 0.871234370425414
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1852 M317T3429 M317T57.2 317 317 317 57.1508294743573 57.1508294743573 57.1508294743573 1 1 0 5259 1.08808970041263 0.0723031322827317 0.949632768916999
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1853 M317T4122 M317T68.7 317 317 317 68.7029543960126 68.7029543960126 68.7029543960126 1 1 0 1716 1.30993354565322 -0.274196388591133 0.825085478648102
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1854 M317T3510 M317T58.5 317 317 317 58.5071429576591 58.5071429576591 58.5071429576591 1 0 1 4521 1.04719812361762 -0.0370974005547982 0.974146996044441
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1855 M317T3485 M317.2T58.1 317.200012207031 317.200012207031 317.200012207031 58.0879949416152 58.0879949416152 58.0879949416152 2 0 1 31 1.978583917981 1.62854909492784 0.276592978881487
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1856 M317T3650 M317.2T60.8 317.200012207031 317.200012207031 317.200012207031 60.8298894379262 60.8298894379262 60.8298894379262 1 0 1 1525 1.3239745005054 0.607066617079599 0.638356378208362
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1857 M317T2931 M317.2T48.9 317.200012207031 317.200012207031 317.200012207031 48.8574872681435 48.8574872681435 48.8574872681435 1 1 0 3617 3.21514667185178 -0.65788531751057 0.61458940344606
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1858 M317T3087 M317.2T51.5 317.200012207031 317.200012207031 317.200012207031 51.4511294116701 51.4511294116701 51.4511294116701 1 0 1 3534 18.5760052332194 1.0174046436134 0.494489824561987
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1859 M317T2583 M317.2T43 317.200012207031 317.200012207031 317.200012207031 43.0442611378167 43.0442611378167 43.0442611378167 1 0 1 5686 Inf 1 0.5
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1860 M317T3138 M317.2T52.3 317.200012207031 317.200012207031 317.200012207031 52.2986642452469 52.2986642452469 52.2986642452469 1 1 0 3116 Inf -1.04705426039898 0.485369025682462
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1861 M317T2534 M317.2T42.2 317.200012207031 317.200012207031 317.200012207031 42.2357111378167 42.2357111378167 42.2357111378167 1 0 1 5890 Inf 1 0.5
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1862 M317T3709 M317.3T61.8 317.300018310547 317.300018310547 317.300018310547 61.8202089154605 61.8202089154605 61.8202089154605 1 1 0 1173 Inf -1 0.5
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1863 M317T3168 M317.3T52.8 317.300018310547 317.300018310547 317.300018310547 52.7940229687452 52.7940229687452 52.7940229687452 1 1 0 772 2.7198485461557 -0.593489758737204 0.64126676161148
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1864 M317T3376 M317.3T56.3 317.300018310547 317.300018310547 317.300018310547 56.2597032044068 56.2597032044068 56.2597032044068 1 0 1 1545 2.78867808774948 0.60376221385668 0.636843327773682
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1865 M317T3971 M317.3T66.2 317.300018310547 317.300018310547 317.300018310547 66.1887331316529 66.1887331316529 66.1887331316529 1 0 1 36 12.8432031456152 2.40147066552284 0.235114123245325
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1866 M317T3992 M317.3T66.5 317.300018310547 317.300018310547 317.300018310547 66.5326827804537 66.5326827804537 66.5326827804537 1 1 0 4467 6.10470599903547 -3.25035693706377 0.0869719904669939
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1867 M317T3870 M317.4T64.5 317.399993896484 317.399993896484 317.399993896484 64.5033939165463 64.5033939165463 64.5033939165463 1 0 1 1366 Inf 1 0.5
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1868 M318T3709 M317.5T61.8 317.5 317.5 317.5 61.8242941639601 61.8242941639601 61.8242941639601 1 1 0 1174 Inf -1 0.5
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1869 M318T3713 M317.9T61.9 317.899993896484 317.899993896484 317.899993896484 61.8807356532575 61.8807356532575 61.8807356532575 1 0 1 1156 6.03048818246519 0.822938253765861 0.555761332278931
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1870 M318T4062 M317.9T67.7 317.899993896484 317.899993896484 317.899993896484 67.7041081730528 67.7041081730528 67.7041081730528 1 1 0 4691 Inf -1 0.5
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1871 M318T2626 M317.9T43.8 317.899993896484 317.899993896484 317.899993896484 43.7740538815564 43.7740538815564 43.7740538815564 1 1 0 2643 Inf -1 0.5
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1872 M318T2802 M317.9T46.7 317.899993896484 317.899993896484 317.899993896484 46.7039268768081 46.7039268768081 46.7039268768081 1 1 0 5182 Inf -1 0.5
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1873 M318T3373 M318T56.2 318 318 318 56.2088434381385 56.2088434381385 56.2088434381385 1 1 0 [M-H-H6O3]- 373.033 25 1.94911166386933 -0.806978707269716 0.517785840175909
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1874 M318T3431 M318T57.2 318 318 318 57.1774461548717 57.1774461548717 57.1774461548717 1 1 0 5260 Inf -1.37236144049679 0.400885984691284
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1875 M318T3827 M318T63.8 318 318 318 63.7845563476171 63.7845563476171 63.7845563476171 1 1 0 1879 1.95978065774632 -0.813426150334304 0.51050346519479
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1876 M318T3631 M318T60.5 318 318 318 60.5181900387194 60.5181900387194 60.5181900387194 1 1 0 2359 Inf -1 0.5
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1877 M318T4118 M318.1T68.6 318.100006103516 318.100006103516 318.100006103516 68.6287722971562 68.6287722971562 68.6287722971562 1 0 1 120 10.598306246956 0.901640626791527 0.530770943822171
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1878 M318T3248 M318.1T54.1 318.100006103516 318.100006103516 318.100006103516 54.1318011789269 54.1318011789269 54.1318011789269 1 0 1 1901 1.66181349401154 1.47023757912121 0.313495349215852
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1879 M318T2673 M318.3T44.6 318.300018310547 318.300018310547 318.300018310547 44.5554034538225 44.5554034538225 44.5554034538225 1 0 1 4043 Inf 1 0.5
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1880 M318T3135 M318.3T52.3 318.300018310547 318.300018310547 318.300018310547 52.2538582860465 52.2538582860465 52.2538582860465 1 1 0 4992 Inf -1 0.5
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1881 M318T3975 M318.3T66.3 318.300018310547 318.300018310547 318.300018310547 66.2511083848454 66.2511083848454 66.2511083848454 1 1 0 2017 1.77061216128651 -0.378961037523901 0.74944977192131
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1882 M318T3358 M318.3T56 318.300018310547 318.300018310547 318.300018310547 55.9636597330772 55.9636597330772 55.9636597330772 1 0 1 721 14.409151109282 0.92836664861336 0.522449284760221
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1883 M318T4133 M318.4T68.9 318.399993896484 318.399993896484 318.399993896484 68.8857603089572 68.8857603089572 68.8857603089572 1 1 0 1482 Inf -1 0.5
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1884 M319T4094 M318.9T68.2 318.899993896484 318.899993896484 318.899993896484 68.2290918422756 68.2290918422756 68.2290918422756 1 1 0 5093 Inf -1 0.5
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1885 M319T4122 M318.9T68.7 318.899993896484 318.899993896484 318.899993896484 68.7011070246547 68.7011070246547 68.7011070246547 1 1 0 1717 Inf -1.70118200176037 0.338312713486332
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1886 M319T2873 M319T47.9 319 319 319 47.881268787147 47.881268787147 47.881268787147 1 1 0 133 2.42606611480025 -1.56078735405714 0.34760300678321
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1887 M319T3697 M319.1T61.6 319.100006103516 319.100006103516 319.100006103516 61.6091021610531 61.6091021610531 61.6091021610531 2 0 1 5482 1.76346326615648 0.867052721030678 0.543377439864806
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1888 M319T3699 M319.2T61.6 319.200012207031 319.200012207031 319.200012207031 61.6421958967278 61.6421958967278 61.6421958967278 1 1 0 4188 1.7795965271187 -1.31103503802106 0.329545052398541
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1889 M319T2730 M319.2T45.5 319.200012207031 319.200012207031 319.200012207031 45.5028425705628 45.5028425705628 45.5028425705628 1 1 0 2474 Inf -1 0.5
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1890 M319T3312 M319.3T55.2 319.300018310547 319.300018310547 319.300018310547 55.1955103528699 55.1955103528699 55.1955103528699 1 0 1 526 1.97941432826077 0.607840879395214 0.607954665077509
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1891 M319T3918 M319.3T65.3 319.300018310547 319.300018310547 319.300018310547 65.2918564684974 65.2918564684974 65.2918564684974 1 0 1 2990 3.34203028616619 0.836325617556585 0.554388116079756
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1892 M319T3507 M319.3T58.5 319.300018310547 319.300018310547 319.300018310547 58.4553891318513 58.4553891318513 58.4553891318513 1 0 1 3370 Inf 1.2635962042402 0.426197911103395
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1893 M319T3846 M319.3T64.1 319.300018310547 319.300018310547 319.300018310547 64.0960268646872 64.0960268646872 64.0960268646872 1 0 1 1367 Inf 1.22549442667995 0.435714980533708
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1894 M319T3963 M319.3T66.1 319.300018310547 319.300018310547 319.300018310547 66.0540795330602 66.0540795330602 66.0540795330602 1 0 1 1982 6.63325744703157 1.31455042250292 0.396836284011619
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1895 M319T3807 M319.3T63.5 319.300018310547 319.300018310547 319.300018310547 63.4513252462169 63.4513252462169 63.4513252462169 1 0 1 3710 Inf 1 0.5
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lecorguille
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1896 M319T3937 M319.4T65.6 319.399993896484 319.399993896484 319.399993896484 65.6135942124462 65.6135942124462 65.6135942124462 1 0 1 4142 Inf 1 0.5
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lecorguille
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1897 M319T3725 M319.4T62.1 319.399993896484 319.399993896484 319.399993896484 62.0892498595149 62.0892498595149 62.0892498595149 1 0 1 128 6.22938507958114 0.82885871534891 0.553838690545124
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lecorguille
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1898 M320T2579 M319.9T43 319.899993896484 319.899993896484 319.899993896484 42.9896495766058 42.9896495766058 42.9896495766058 1 1 0 4074 Inf -1 0.5
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lecorguille
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1899 M320T4059 M319.9T67.6 319.899993896484 319.899993896484 319.899993896484 67.6443327112656 67.6443327112656 67.6443327112656 1 0 1 4692 Inf 1 0.5
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lecorguille
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1900 M320T2692 M320T44.9 320 320 320 44.8724460333738 44.8724460333738 44.8724460333738 1 0 1 5871 2.11019468914499 0.66683585696957 0.578101106745563
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lecorguille
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1901 M320T4105 M320T68.4 320 320 320 68.4186309663329 68.4186309663329 68.4186309663329 1 0 1 192 2.75527230563873 0.598838011395125 0.63895553994861
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lecorguille
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1902 M320T3681 M320T61.4 320 320 320 61.3570085782962 61.3570085782962 61.3570085782962 1 0 1 588 Inf 1 0.5
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lecorguille
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1903 M320T3254 M320T54.2 320 320 320 54.2384536482062 54.2384536482062 54.2384536482062 1 0 1 1914 1.82919980419267 0.442053099544087 0.729458915169653
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lecorguille
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1904 M320T3071 M320T51.2 320 320 320 51.1872392060955 51.1872392060955 51.1872392060955 1 0 1 2426 2.93099440780229 1.06550781851135 0.412442544797458
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lecorguille
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1905 M320T3593 M320T59.9 320 320 320 59.8868502771894 59.8868502771894 59.8868502771894 1 0 1 5884 2.01353347799381 0.544401836568847 0.649116291996291
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lecorguille
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1906 M320T3412 M320T56.9 320 320 320 56.8653470556536 56.8653470556536 56.8653470556536 1 0 1 865 6.50283186428711 1.08900450625253 0.461978600578496
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lecorguille
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1907 M320T3115 M320.2T51.9 320.200012207031 320.200012207031 320.200012207031 51.9119923308008 51.9119923308008 51.9119923308008 1 0 1 243 1.2544149920758 0.387354656995034 0.758165783116405
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lecorguille
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1908 M320T2526 M320.2T42.1 320.200012207031 320.200012207031 320.200012207031 42.1052944711501 42.1052944711501 42.1052944711501 1 0 1 5956 Inf 1.44864479315264 0.384637022086531
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lecorguille
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1909 M320T3329 M320.3T55.5 320.300018310547 320.300018310547 320.300018310547 55.4865192480513 55.4865192480513 55.4865192480513 1 1 0 1098 Inf -1 0.5
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lecorguille
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1910 M320T3678 M320.3T61.3 320.300018310547 320.300018310547 320.300018310547 61.2960210515393 61.2960210515393 61.2960210515393 1 0 1 3690 1.06784424823483 -0.0650862493490309 0.957400521366351
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lecorguille
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1911 M320T3021 M320.3T50.3 320.300018310547 320.300018310547 320.300018310547 50.3492678109015 50.3492678109015 50.3492678109015 1 0 1 2132 Inf 1.71937514734386 0.335361854475874
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lecorguille
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1912 M320T3299 M320.3T55 320.300018310547 320.300018310547 320.300018310547 54.9867149731889 54.9867149731889 54.9867149731889 1 1 0 2601 Inf -1 0.5
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lecorguille
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1913 M320T3967 M320.3T66.1 320.300018310547 320.300018310547 320.300018310547 66.1187165965565 66.1187165965565 66.1187165965565 1 1 0 2018 6.49246468389738 -0.836115581947818 0.551493981700762
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lecorguille
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1914 M320T3428 M320.3T57.1 320.300018310547 320.300018310547 320.300018310547 57.1286902422709 57.1286902422709 57.1286902422709 1 0 1 158 12.0423566933309 0.913814502992756 0.526976889423724
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lecorguille
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1915 M320T3733 M320.4T62.2 320.399993896484 320.399993896484 320.399993896484 62.2111367743379 62.2111367743379 62.2111367743379 1 0 1 3556 Inf 1 0.5
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lecorguille
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1916 M321T3368 M320.9T56.1 320.899993896484 320.899993896484 320.899993896484 56.1358991693565 56.1358991693565 56.1358991693565 1 1 0 4653 Inf -1 0.5
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lecorguille
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1917 M321T3254 M320.9T54.2 320.899993896484 320.899993896484 320.899993896484 54.2389952098244 54.2389952098244 54.2389952098244 1 1 0 1915 Inf -1 0.5
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lecorguille
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1918 M321T3161 M320.9T52.7 320.899993896484 320.899993896484 320.899993896484 52.6873444942305 52.6873444942305 52.6873444942305 1 0 1 828 Inf 1 0.5
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lecorguille
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1919 M321T3297 M321T54.9 321 321 321 54.947299031165 54.947299031165 54.947299031165 1 0 1 2596 5.13207353940883 1.07989769162856 0.47515672250338
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lecorguille
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1920 M321T4136 M321T68.9 321 321 321 68.9374216510452 68.9374216510452 68.9374216510452 1 1 0 [M-H]- 322.01 99 3.95178165739952 -1.0933687557404 0.43542383106396
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lecorguille
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1921 M321T3882 M321T64.7 321 321 321 64.6988004790129 64.6988004790129 64.6988004790129 1 0 1 2217 23.6676165814151 1.48907525020958 0.374991481970619
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lecorguille
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1922 M321T3275 M321T54.6 321 321 321 54.5833089406657 54.5833089406657 54.5833089406657 1 0 1 [M-H-HCNO]- 365.025 145 Inf 1.43021303186797 0.388456806235051
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lecorguille
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1923 M321T3243 M321T54.1 321 321 321 54.05229990878 54.05229990878 54.05229990878 1 1 0 3464 6.97920156529535 -1.79698944734377 0.290912263993951
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lecorguille
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1924 M321T3657 M321.1T60.9 321.100006103516 321.100006103516 321.100006103516 60.9496111331881 60.8292393476107 61.2182231708786 4 2 1 [M+Cl]- 286.127 47 2.64370117720962 -1.12772820323572 0.46081215127112
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lecorguille
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1925 M321T3663 M321.2T61.1 321.200012207031 321.200012207031 321.200012207031 61.0516293005131 61.0355325819179 61.0677260191083 2 0 2 2 2.48779620313187 0.772837760417395 0.574777528009765
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lecorguille
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1926 M321T3277 M321.2T54.6 321.200012207031 321.200012207031 321.200012207031 54.6180701143941 54.6180701143941 54.6180701143941 1 0 1 1212 Inf 1 0.5
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lecorguille
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1927 M321T2680 M321.2T44.7 321.200012207031 321.200012207031 321.200012207031 44.6609710624358 44.6609710624358 44.6609710624358 1 0 1 632 11.4904268784362 2.91310241662944 0.181028527584546
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lecorguille
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1928 M321T2564 M321.2T42.7 321.200012207031 321.200012207031 321.200012207031 42.7312778044834 42.7312778044834 42.7312778044834 1 0 1 3071 Inf 1 0.5
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lecorguille
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1929 M321T3038 M321.2T50.6 321.200012207031 321.200012207031 321.200012207031 50.6372073861865 50.6372073861865 50.6372073861865 1 0 1 3211 Inf 1 0.5
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lecorguille
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1930 M321T2815 M321.2T46.9 321.200012207031 321.200012207031 321.200012207031 46.9093659661346 46.9093659661346 46.9093659661346 1 1 0 3293 Inf -1 0.5
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lecorguille
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1931 M321T2994 M321.2T49.9 321.200012207031 321.200012207031 321.200012207031 49.9047093832245 49.9047093832245 49.9047093832245 1 1 0 1834 3.00147793018104 -0.802070952617916 0.537999255693017
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lecorguille
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1932 M321T3239 M321.2T54 321.200012207031 321.200012207031 321.200012207031 53.9897560694855 53.9897560694855 53.9897560694855 1 0 1 3465 Inf 1.53726575817387 0.367158088137614
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lecorguille
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1933 M321T3609 M321.3T60.2 321.300018310547 321.300018310547 321.300018310547 60.1534545531716 60.1534545531716 60.1534545531716 1 1 0 4677 7.91872429517928 -0.866832514679252 0.541695108354038
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lecorguille
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1934 M321T3988 M321.3T66.5 321.300018310547 321.300018310547 321.300018310547 66.4629316977324 66.4629316977324 66.4629316977324 1 1 0 4480 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1935 M321T3819 M321.3T63.7 321.300018310547 321.300018310547 321.300018310547 63.6505754124772 63.6505754124772 63.6505754124772 1 1 0 1880 Inf -1.54420937541535 0.365847886312577
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lecorguille
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1936 M321T4055 M321.4T67.6 321.399993896484 321.399993896484 321.399993896484 67.57911300379 67.57911300379 67.57911300379 1 1 0 3420 Inf -1.65693970760669 0.345687957965089
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1937 M322T4062 M321.9T67.7 321.899993896484 321.899993896484 321.899993896484 67.7041081730528 67.7041081730528 67.7041081730528 1 1 0 4693 3.02802534737804 -0.635968477094951 0.623393173216315
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lecorguille
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1938 M322T3978 M321.9T66.3 321.899993896484 321.899993896484 321.899993896484 66.297163447162 66.297163447162 66.297163447162 1 1 0 2019 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1939 M322T3946 M322T65.8 322 322 322 65.759542166728 65.6703115057066 65.8487728277494 2 1 1 3734 1.64944358109052 -0.640959350186877 0.632691969326053
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1940 M322T3685 M322T61.4 322 322 322 61.4135358681511 61.4135358681511 61.4135358681511 1 1 0 [M-H-C3H2O3]- 409.007 5 12.5010487184559 -1.28807695870123 0.416284459626047
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1941 M322T2686 M322T44.8 322 322 322 44.7613459684195 44.7613459684195 44.7613459684195 1 0 1 648 3.16253411095756 0.651980500429768 0.616934346764279
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1942 M322T2904 M322T48.4 322 322 322 48.3936003131657 48.3936003131657 48.3936003131657 1 1 0 3915 2.79326026383141 -0.604428829288202 0.636558541438409
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1943 M322T3013 M322T50.2 322 322 322 50.2114281665546 50.2114281665546 50.2114281665546 1 1 0 2080 11.2128163174629 -1.0280269276139 0.488469301955504
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1944 M322T2950 M322T49.2 322 322 322 49.1689841076333 49.1689841076333 49.1689841076333 1 1 0 3176 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1945 M322T3504 M322.1T58.4 322.100006103516 322.100006103516 322.100006103516 58.3941287848805 58.3522157630731 58.4270605014527 3 1 2 [28][M]- 76 2.98779357671176 1.56523511388958 0.260401598517167
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1946 M322T3383 M322.1T56.4 322.100006103516 322.100006103516 322.100006103516 56.3905912921591 56.3628026112301 56.4183799730882 2 2 0 [29][M]- [M-H-C2H5NO]- 382.136 25 10.9520343672427 -6.27104931071043 0.0966879952886717
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lecorguille
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1947 M322T3669 M322.1T61.1 322.100006103516 322.100006103516 322.100006103516 61.1467514117221 61.1467514117221 61.1467514117221 1 0 1 2 1.28229379042769 0.269751008854164 0.819902290540338
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1948 M322T3991 M322.1T66.5 322.100006103516 322.100006103516 322.100006103516 66.515876976604 66.515876976604 66.515876976604 1 1 0 4477 6.1982032091166 -2.13893824544324 0.218706735555553
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1949 M322T3958 M322.1T66 322.100006103516 322.100006103516 322.100006103516 65.959826190323 65.959826190323 65.959826190323 1 1 0 5394 2.50439100077239 -0.557871993818665 0.65712223143983
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1950 M322T3497 M322.2T58.3 322.200012207031 322.200012207031 322.200012207031 58.2886682668798 58.2456075639651 58.3317289697945 2 2 0 [30][M]- 76 2.20749076076799 -1.02088048835881 0.431131225016889
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1951 M322T2646 M322.2T44.1 322.200012207031 322.200012207031 322.200012207031 44.1011457645514 44.1011457645514 44.1011457645514 1 1 0 237 1.11312714631459 0.0845497805773143 0.940414323093292
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lecorguille
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1952 M322T3143 M322.2T52.4 322.200012207031 322.200012207031 322.200012207031 52.3766518541813 52.3766518541813 52.3766518541813 1 1 0 3109 2.63087161129939 -0.619331309811041 0.646681410724554
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1953 M322T4015 M322.2T66.9 322.200012207031 322.200012207031 322.200012207031 66.9185960969726 66.9185960969726 66.9185960969726 1 0 1 6089 Inf 2.27462218452923 0.263687742596664
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1954 M322T3447 M322.3T57.4 322.300018310547 322.300018310547 322.300018310547 57.4427244480407 57.4427244480407 57.4427244480407 1 1 0 62 4.10281637309155 -2.81150252824413 0.154627008289278
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lecorguille
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1955 M322T3459 M322.3T57.6 322.300018310547 322.300018310547 322.300018310547 57.6458359817028 57.6458359817028 57.6458359817028 1 1 0 1255 4.51810957280062 -2.06659587092274 0.280014173243942
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lecorguille
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1956 M322T3884 M322.3T64.7 322.300018310547 322.300018310547 322.300018310547 64.739925026941 64.739925026941 64.739925026941 1 0 1 2218 Inf 2.92561406965789 0.209676316358993
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1957 M322T3153 M322.3T52.5 322.300018310547 322.300018310547 322.300018310547 52.5461102984952 52.5461102984952 52.5461102984952 1 0 1 3033 1.60056538561176 0.318218152656887 0.78547328909107
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1958 M322T3213 M322.3T53.6 322.300018310547 322.300018310547 322.300018310547 53.5517736483169 53.5517736483169 53.5517736483169 1 0 1 4309 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1959 M322T3814 M322.3T63.6 322.300018310547 322.300018310547 322.300018310547 63.5633712819043 63.5633712819043 63.5633712819043 1 1 0 2381 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1960 M322T3579 M322.3T59.6 322.300018310547 322.300018310547 322.300018310547 59.6499590027822 59.6499590027822 59.6499590027822 1 1 0 27 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1961 M323T2617 M322.9T43.6 322.899993896484 322.899993896484 322.899993896484 43.6205214460137 43.6205214460137 43.6205214460137 1 1 0 191 3.37348925424942 -0.843488497403395 0.527124059037806
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1962 M323T3155 M322.9T52.6 322.899993896484 322.899993896484 322.899993896484 52.5832662105394 52.5832662105394 52.5832662105394 1 0 1 5904 4.61454003950747 0.765524753865163 0.574952616114262
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1963 M323T3907 M322.9T65.1 322.899993896484 322.899993896484 322.899993896484 65.1132406572967 65.1132406572967 65.1132406572967 1 1 0 4820 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1964 M323T3359 M322.9T56 322.899993896484 322.899993896484 322.899993896484 55.9771730376966 55.9771730376966 55.9771730376966 1 1 0 689 Inf -1.31195020724259 0.414616902494799
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1965 M323T4009 M323T66.8 323 323 323 66.8205274164213 66.8205274164213 66.8205274164213 1 1 0 5212 Inf -5.40227260811192 0.116524015915129
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1966 M323T3503 M323.1T58.4 323.100006103516 323.100006103516 323.100006103516 58.3896381322629 58.2411029863392 58.436859117781 4 2 2 [28][M+1]- 76 1.50602667263756 0.451341239867068 0.709070685557077
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1967 M323T3380 M323.1T56.3 323.100006103516 323.100006103516 323.100006103516 56.3263956404296 56.3114934695469 56.3412978113123 2 2 0 [29][M+1]- 25 21.8824417988845 -4.85805973186156 0.128813449711511
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1968 M323T3871 M323.1T64.5 323.100006103516 323.100006103516 323.100006103516 64.51555542861 64.51555542861 64.51555542861 1 0 1 2727 14.1615938824755 0.938567923424233 0.520113748456218
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1969 M323T3500 M323.2T58.3 323.200012207031 323.200012207031 323.200012207031 58.3317289697945 58.2456075639651 58.3941287848805 3 2 1 [30][M+1]- 76 1.50575052284746 0.350114571782354 0.785584939747311
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1970 M323T4081 M323.2T68 323.200012207031 323.200012207031 323.200012207031 68.0246480020215 68.0246480020215 68.0246480020215 1 0 1 5712 2.0085996567628 1.03463808539628 0.418947462090965
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1971 M323T3139 M323.2T52.3 323.200012207031 323.200012207031 323.200012207031 52.3216964859304 52.3216964859304 52.3216964859304 1 0 1 [M+Cl+NH3]- 271.206 [M+Cl]- 288.233 67 6.41205562334667 1.46068852885797 0.358018987239049
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lecorguille
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diff changeset
1972 M323T2850 M323.2T47.5 323.200012207031 323.200012207031 323.200012207031 47.5041262223151 47.5041262223151 47.5041262223151 1 1 0 208 3.36824558660495 -0.674030907839591 0.608276243987133
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1973 M323T3887 M323.2T64.8 323.200012207031 323.200012207031 323.200012207031 64.7772731038213 64.7772731038213 64.7772731038213 1 0 1 [M-H-C5H4]- 388.233 [M-H-C2F4]- 424.206 41 16.8524471059379 1.03427608515106 0.488740495605784
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1974 M323T3387 M323.2T56.4 323.200012207031 323.200012207031 323.200012207031 56.4440981603401 56.4440981603401 56.4440981603401 1 1 0 476 3.00573708145849 -8.54308320901656 0.0238766091990201
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1975 M323T3211 M323.2T53.5 323.200012207031 323.200012207031 323.200012207031 53.5248981933595 53.5248981933595 53.5248981933595 1 1 0 4288 3.59997724276109 -1.6201001441739 0.252717716173422
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1976 M323T3108 M323.3T51.8 323.300018310547 323.300018310547 323.300018310547 51.8069886539165 51.8069886539165 51.8069886539165 1 1 0 3133 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1977 M323T3910 M323.3T65.2 323.300018310547 323.300018310547 323.300018310547 65.160436526486 65.160436526486 65.160436526486 1 0 1 4797 1.30394209148312 -0.266065727120082 0.821131375612094
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1978 M323T3351 M323.3T55.9 323.300018310547 323.300018310547 323.300018310547 55.8520662341103 55.8520662341103 55.8520662341103 1 1 0 722 Inf -16.367142866784 0.0388479154060866
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lecorguille
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diff changeset
1979 M323T4059 M323.4T67.7 323.399993896484 323.399993896484 323.399993896484 67.657565449106 67.657565449106 67.657565449106 1 1 0 4694 10.1961066216841 -0.897616579786072 0.532027228977052
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1980 M324T2708_1 M323.9T45.1_1 323.899993896484 323.899993896484 323.899993896484 45.1416643605921 45.1160872895489 45.1672414316353 2 1 1 [M-H-C7H6O2]- 446.935 225 1.68793902285862 -0.412646744822045 0.722644012567428
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1981 M324T2548 M323.9T42.5 323.899993896484 323.899993896484 323.899993896484 42.4679995766058 42.4679995766058 42.4679995766058 1 1 0 5158 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1982 M324T3403 M323.9T56.7 323.899993896484 323.899993896484 323.899993896484 56.723107687474 56.723107687474 56.723107687474 1 1 0 1315 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1983 M324T3864 M324T64.4 324 324 324 64.401627072705 64.401627072705 64.401627072705 1 1 0 1368 10.0481268390278 -1.108371061818 0.463020571853759
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
1984 M324T2817 M324T46.9 324 324 324 46.9460942488542 46.9460942488542 46.9460942488542 1 0 1 73 2.64797556284761 5.3402739598393 0.0343907213634833
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1985 M324T3258 M324T54.3 324 324 324 54.3037175734343 54.3037175734343 54.3037175734343 1 0 1 3614 Inf 2.43611220335314 0.247974064397839
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1986 M324T3510 M324T58.5 324 324 324 58.5071429576591 58.5071429576591 58.5071429576591 1 0 1 4522 Inf 1 0.5
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lecorguille
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1987 M324T2789 M324.1T46.5 324.100006103516 324.100006103516 324.100006103516 46.4843534177973 46.4484203110933 46.4920429574181 3 1 2 [M-H-C2H2O]- 367.108 [M-H-NCO]- 367.108 12 1.56151614062788 4.41031019499159 0.0650457672040976
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1988 M324T2751 M324.1T45.9 324.100006103516 324.100006103516 324.100006103516 45.8545716524926 45.8338429728004 45.8753003321848 2 0 2 [M-H-NCO]- 367.107 114 1.27381399060462 1.89217692604984 0.259018807275095
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1989 M324T3275 M324.1T54.6 324.100006103516 324.100006103516 324.100006103516 54.5879808083725 54.5639848492577 54.6119767674872 2 2 0 5007 5.96200794446534 -1.60358993745755 0.343710044556109
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1990 M324T3843 M324.1T64.1 324.100006103516 324.100006103516 324.100006103516 64.0566768308978 64.0566768308978 64.0566768308978 1 0 1 [M-H-H6O3]- 379.135 21 1.05779336949288 -0.073541674727155 0.951469497167445
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1991 M324T2893 M324.2T48.2 324.200012207031 324.200012207031 324.200012207031 48.2097870775546 48.2097870775546 48.2097870775546 1 1 0 3823 1.87765868482807 0.541580398657862 0.64506061494509
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1992 M324T2708_2 M324.2T45.1_2 324.200012207031 324.200012207031 324.200012207031 45.1415354611485 45.1415354611485 45.1415354611485 1 1 0 5875 2.65503291330608 -2.56944741294469 0.167205735084865
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1993 M324T3301 M324.2T55 324.200012207031 324.200012207031 324.200012207031 55.0245827748677 55.0245827748677 55.0245827748677 1 0 1 5384 1.83454820501519 -0.574443151288651 0.645259132145728
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1994 M324T2576 M324.2T42.9 324.200012207031 324.200012207031 324.200012207031 42.9280180813334 42.9280180813334 42.9280180813334 1 0 1 4075 1.7828418230563 0.640063474340264 0.594071300863884
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1995 M324T2831 M324.2T47.2 324.200012207031 324.200012207031 324.200012207031 47.1809374195208 47.1809374195208 47.1809374195208 1 0 1 4576 5.24022292251157 0.794825382667996 0.565024723190476
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1996 M324T4064 M324.3T67.7 324.300018310547 324.300018310547 324.300018310547 67.7304011125165 67.7304011125165 67.7304011125165 1 1 0 5796 3.09177283027217 -0.643727265896385 0.620245038039623
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1997 M324T3910 M324.3T65.2 324.300018310547 324.300018310547 324.300018310547 65.1660796385041 65.1660796385041 65.1660796385041 1 1 0 4821 1.03198026535322 -0.0341369604838677 0.976661645945394
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1998 M324T3362 M324.3T56 324.300018310547 324.300018310547 324.300018310547 56.0287956381333 56.0287956381333 56.0287956381333 1 1 0 4654 1.56858549055237 -0.382243211481115 0.739375976778521
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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1999 M324T3798 M324.4T63.3 324.399993896484 324.399993896484 324.399993896484 63.3015249027743 63.3015249027743 63.3015249027743 1 1 0 2833 2.99968735544279 -0.63241598125901 0.624846330761927
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2000 M325T4089 M324.9T68.2 324.899993896484 324.899993896484 324.899993896484 68.1504222635289 68.1504222635289 68.1504222635289 1 1 0 4974 Inf -2.01902581695797 0.292763100813455
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2001 M325T2876 M324.9T47.9 324.899993896484 324.899993896484 324.899993896484 47.9277143465266 47.9277143465266 47.9277143465266 1 0 1 4728 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2002 M325T3075 M324.9T51.3 324.899993896484 324.899993896484 324.899993896484 51.2567898988664 51.2567898988664 51.2567898988664 1 1 0 2427 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2003 M325T3316 M325T55.3 325 325 325 55.271756888671 55.271756888671 55.271756888671 1 1 0 527 2.02808883355332 -0.494812673734271 0.701424044687996
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lecorguille
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2004 M325T2642 M325T44 325 325 325 44.0410062922056 44.0410062922056 44.0410062922056 1 0 1 195 1.89003373098508 0.972278874981195 0.438172611147724
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lecorguille
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2005 M325T2666 M325.1T44.4 325.100006103516 325.100006103516 325.100006103516 44.4377170052651 44.4377170052651 44.4377170052651 1 1 0 103 8.99476423228041 -0.952270520531908 0.51551499384976
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2006 M325T2609 M325.2T43.5 325.200012207031 325.200012207031 325.200012207031 43.4757514146668 43.4757514146668 43.4757514146668 1 0 1 4010 10.3355756826812 1.76229315344671 0.315509973570407
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2007 M325T4135 M325.2T68.9 325.200012207031 325.200012207031 325.200012207031 68.9111583876206 68.9111583876206 68.9111583876206 1 1 0 [M-H]- 326.207 [M-H-C3H3]- 365.23 99 1.76013569376079 -0.416665580783048 0.741401546400863
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2008 M325T3896 M325.3T64.9 325.300018310547 325.300018310547 325.300018310547 64.9341862845788 64.9341862845788 64.9341862845788 1 0 1 4899 Inf 1.13734884644387 0.459146150339224
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2009 M325T3866 M325.3T64.4 325.300018310547 325.300018310547 325.300018310547 64.4279173196712 64.4279173196712 64.4279173196712 1 1 0 1369 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2010 M325T3430 M325.3T57.2 325.300018310547 325.300018310547 325.300018310547 57.168212677188 57.168212677188 57.168212677188 1 1 0 5261 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2011 M325T3708 M325.4T61.8 325.399993896484 325.399993896484 325.399993896484 61.7983741443782 61.7983741443782 61.7983741443782 1 1 0 1175 3.05756049716838 -0.639602590783637 0.62191427390793
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2012 M325T3760 M325.4T62.7 325.399993896484 325.399993896484 325.399993896484 62.6610953289903 62.6610953289903 62.6610953289903 1 0 1 13 Inf 1 0.5
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lecorguille
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2013 M325T4066 M325.4T67.8 325.399993896484 325.399993896484 325.399993896484 67.7736661645487 67.7736661645487 67.7736661645487 1 0 1 3875 Inf 1 0.5
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lecorguille
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2014 M325T3347 M325.4T55.8 325.399993896484 325.399993896484 325.399993896484 55.7774686755621 55.7774686755621 55.7774686755621 1 0 1 804 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2015 M326T3705 M325.5T61.8 325.5 325.5 325.5 61.7501466781274 61.7501466781274 61.7501466781274 1 0 1 17 Inf 1 0.5
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lecorguille
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2016 M326T4014 M325.5T66.9 325.5 325.5 325.5 66.8990230308746 66.8990230308746 66.8990230308746 1 1 0 6090 Inf -1 0.5
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lecorguille
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2017 M326T3224 M326T53.7 326 326 326 53.7364277029675 53.7364277029675 53.7364277029675 1 0 1 4310 Inf 1 0.5
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2018 M326T3211 M326T53.5 326 326 326 53.5248981933595 53.5248981933595 53.5248981933595 1 1 0 113 4.94702673184027 -0.782040767920725 0.569319258615347
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2019 M326T3640 M326T60.7 326 326 326 60.6733215508481 60.6733215508481 60.6733215508481 1 0 1 2852 Inf 1 0.5
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2020 M326T4139 M326.1T69 326.100006103516 326.100006103516 326.100006103516 68.9899337519259 68.9899337519259 68.9899337519259 1 1 0 [M-H-C3H2O3]- 413.107 4202 1.55120863439729 -0.34203485587917 0.783967291894033
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2021 M326T3419 M326.2T57 326.200012207031 326.200012207031 326.200012207031 56.9810429182563 56.9574920494196 57.0052840854445 4 2 2 [31][M]- [M-H]- 327.214 [M-H-C2H6O]- 373.237 11 15.7722221272166 -10.6692845902109 0.0571473908790403
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2022 M326T3305 M326.3T55.1 326.300018310547 326.300018310547 326.300018310547 55.0767166900221 55.0086965617651 55.1447368182792 2 2 0 167 2.60229533012444 -1.58177685890761 0.259023814397102
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2023 M326T3068 M326.3T51.1 326.300018310547 326.300018310547 326.300018310547 51.128283154709 51.128283154709 51.128283154709 1 0 1 2415 Inf 1 0.5
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2024 M326T3910 M326.3T65.2 326.300018310547 326.300018310547 326.300018310547 65.1694320732506 65.1694320732506 65.1694320732506 1 0 1 4822 14.9608840257382 0.933125206449892 0.521996439815694
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2025 M326T2887 M326.3T48.1 326.300018310547 326.300018310547 326.300018310547 48.1162959745194 48.1162959745194 48.1162959745194 1 0 1 5658 Inf 2.59417121473839 0.234229243671086
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2026 M326T3805 M326.3T63.4 326.300018310547 326.300018310547 326.300018310547 63.4094888519029 63.4094888519029 63.4094888519029 1 1 0 58 1.63310338538577 -0.330611230278033 0.777946810026734
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2027 M326T4116 M326.4T68.6 326.399993896484 326.399993896484 326.399993896484 68.6007140561879 68.6007140561879 68.6007140561879 1 0 1 4554 Inf 1 0.5
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2028 M327T2649 M326.9T44.1 326.899993896484 326.899993896484 326.899993896484 44.1462261251527 44.1462261251527 44.1462261251527 1 1 0 5677 1.4691465306314 -0.391396657203473 0.734922734643153
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2029 M327T3764 M326.9T62.7 326.899993896484 326.899993896484 326.899993896484 62.738270579201 62.738270579201 62.738270579201 1 0 1 973 Inf 1 0.5
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2030 M327T2594 M326.9T43.2 326.899993896484 326.899993896484 326.899993896484 43.2268444711501 43.2268444711501 43.2268444711501 1 0 1 2887 Inf 1 0.5
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2031 M327T3760 M327T62.7 327 327 327 62.6739465380419 62.6739465380419 62.6739465380419 1 1 0 974 1.04036315195168 -0.110776822143304 0.923472435328889
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2032 M327T3735 M327T62.3 327 327 327 62.2580574860459 62.2580574860459 62.2580574860459 1 1 0 3557 Inf -1 0.5
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2033 M327T3539 M327T59 327 327 327 58.9864805332901 58.9864805332901 58.9864805332901 1 0 1 1951 Inf 1 0.5
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2034 M327T3593 M327T59.9 327 327 327 59.8894093106803 59.8894093106803 59.8894093106803 1 1 0 5885 Inf -15.0299644000357 0.0422943700364979
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2035 M327T2981 M327T49.7 327 327 327 49.689858997805 49.689858997805 49.689858997805 1 0 1 4624 1.07808598914776 -0.0662645328191311 0.954203827773305
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2036 M327T3820 M327T63.7 327 327 327 63.6680556266083 63.6680556266083 63.6680556266083 1 1 0 1853 Inf -1.74685964258006 0.330991461720683
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2037 M327T3501 M327.1T58.4 327.100006103516 327.100006103516 327.100006103516 58.3505287619529 58.3317289697945 58.3686104898001 4 2 2 [32][M]- 76 1.46194104945512 1.4647369910478 0.32653292064796
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2038 M327T3833 M327.1T63.9 327.100006103516 327.100006103516 327.100006103516 63.8858741089901 63.8858741089901 63.8858741089901 1 0 1 75 1.1030789495086 -0.0826668694786645 0.942186088535277
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2039 M327T3418 M327.2T57 327.200012207031 327.200012207031 327.200012207031 56.9745511621499 56.9312859769304 57.0178163473694 2 2 0 [31][M+1]- 11 22.752718185592 -14.5963857363274 0.0305136087175875
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lecorguille
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2040 M327T3669 M327.2T61.1 327.200012207031 327.200012207031 327.200012207031 61.1467514117221 61.1467514117221 61.1467514117221 1 0 1 2 1.43108798973174 1.23383911481554 0.355249317207265
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2041 M327T3258 M327.2T54.3 327.200012207031 327.200012207031 327.200012207031 54.3037175734343 54.3037175734343 54.3037175734343 1 0 1 3600 Inf 2.44499407270372 0.247161220369897
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2042 M327T3222 M327.2T53.7 327.200012207031 327.200012207031 327.200012207031 53.7025032953518 53.7025032953518 53.7025032953518 1 0 1 4311 1.4864988810201 1.16686201347554 0.372334502808725
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lecorguille
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2043 M327T3936 M327.3T65.6 327.300018310547 327.300018310547 327.300018310547 65.5923732990028 65.5923732990028 65.5923732990028 1 1 0 4175 3.551928131607 0.819344933614431 0.541401603960079
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lecorguille
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2044 M327T3809 M327.3T63.5 327.300018310547 327.300018310547 327.300018310547 63.4848268233574 63.4848268233574 63.4848268233574 1 1 0 3711 Inf -1 0.5
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lecorguille
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2045 M327T3777 M327.3T63 327.300018310547 327.300018310547 327.300018310547 62.955204852831 62.955204852831 62.955204852831 1 1 0 3669 Inf -1 0.5
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lecorguille
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2046 M327T4044 M327.4T67.4 327.399993896484 327.399993896484 327.399993896484 67.3960535678244 67.3960535678244 67.3960535678244 1 1 0 4110 Inf -1 0.5
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2047 M328T3969 M327.9T66.1 327.899993896484 327.899993896484 327.899993896484 66.1451987706191 66.1451987706191 66.1451987706191 1 1 0 2020 Inf -1 0.5
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2048 M328T3768 M327.9T62.8 327.899993896484 327.899993896484 327.899993896484 62.8044200828078 62.8044200828078 62.8044200828078 1 1 0 975 Inf -1 0.5
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2049 M328T3109 M328T51.8 328 328 328 51.8211125186602 51.8211125186602 51.8211125186602 1 0 1 5343 Inf 1 0.5
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2050 M328T3736 M328T62.3 328 328 328 62.2713910572077 62.2713910572077 62.2713910572077 1 0 1 5197 Inf 1 0.5
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2051 M328T3910 M328T65.2 328 328 328 65.160436526486 65.160436526486 65.160436526486 1 0 1 4823 Inf 1 0.5
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2052 M328T3834 M328T63.9 328 328 328 63.903380773541 63.903380773541 63.903380773541 1 1 0 75 Inf -1 0.5
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2053 M328T3343 M328T55.7 328 328 328 55.7218214079965 55.7218214079965 55.7218214079965 1 1 0 805 2.13281498578569 -0.480900851140813 0.694233254999246
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2054 M328T3367 M328T56.1 328 328 328 56.1231725930966 56.1231725930966 56.1231725930966 1 0 1 126 Inf 1 0.5
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2055 M328T2955 M328T49.2 328 328 328 49.2470021735601 49.2470021735601 49.2470021735601 1 1 0 3183 1.08905251518989 -0.0602306564842917 0.957484167140911
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2056 M328T3587 M328T59.8 328 328 328 59.782889852605 59.782889852605 59.782889852605 1 1 0 1697 Inf -1 0.5
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2057 M328T2648 M328T44.1 328 328 328 44.1278582178184 44.1278582178184 44.1278582178184 1 1 0 5678 1.05131907366433 -0.098598028988187 0.93432760683244
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2058 M328T3851 M328T64.2 328 328 328 64.1880616961356 64.1880616961356 64.1880616961356 1 0 1 1370 Inf 1 0.5
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2059 M328T3501 M328.1T58.3 328.100006103516 328.100006103516 328.100006103516 58.3476472717679 58.3430787804628 58.3522157630731 2 0 2 [32][M+1]- 76 3.59901403113932 2.35872101437588 0.158859083000198
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2060 M328T3663 M328.1T61.1 328.100006103516 328.100006103516 328.100006103516 61.0568599333721 61.0459938476358 61.0677260191083 2 1 1 [M-H]- 329.109 2 2.18075104514592 -1.10530152699549 0.468184456449005
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2061 M328T3625 M328.2T60.4 328.200012207031 328.200012207031 328.200012207031 60.4227053736963 60.3195783006915 60.4857812117369 4 2 2 [33][M]- 26 12.3165867853081 -17.1288013802679 0.0226254172477676
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2062 M328T3500 M328.2T58.3 328.200012207031 328.200012207031 328.200012207031 58.3402853653136 58.3317289697945 58.3488417608327 2 2 0 [M-H-H2]- 331.211 [M-H-H2O]- 347.21 76 8.35649133818296 -4.3371274478096 0.135850780112574
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2063 M328T3385 M328.3T56.4 328.300018310547 328.300018310547 328.300018310547 56.415350756882 56.415350756882 56.415350756882 1 0 1 1555 Inf 9.1949074011132 0.0689650763454561
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2064 M328T4111 M328.4T68.5 328.399993896484 328.399993896484 328.399993896484 68.5174902467128 68.5174902467128 68.5174902467128 1 1 0 2294 Inf -1 0.5
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2065 M328T4135 M328.5T68.9 328.5 328.5 328.5 68.9109701073071 68.9109701073071 68.9109701073071 1 0 1 3969 Inf 1 0.5
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2066 M329T3447 M329T57.4 329 329 329 57.4441475505249 57.4192344633375 57.4690606377124 2 1 1 62 1.96527426242526 -0.655914675142306 0.579594100419963
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2067 M329T3477 M329T58 329 329 329 57.9528293619668 57.8630914339455 58.0425672899882 2 1 1 1786 2.55387121276579 -0.590510538779917 0.651469347707327
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2068 M329T3953 M329T65.9 329 329 329 65.878622078997 65.878622078997 65.878622078997 1 1 0 5448 1.11396179205221 0.0761284483138258 0.946317713346974
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2069 M329T4070 M329T67.8 329 329 329 67.8405992178311 67.8405992178311 67.8405992178311 1 1 0 3876 8.16775940478519 -1.14226856535863 0.450399616546982
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2070 M329T3539 M329T59 329 329 329 58.976324193497 58.976324193497 58.976324193497 1 0 1 1952 5.9195822921393 0.819458708574064 0.556895580073353
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2071 M329T2766 M329T46.1 329 329 329 46.1053318632562 46.1053318632562 46.1053318632562 1 1 0 3818 1.42223130164825 -0.295239363190287 0.795652141352912
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2072 M329T3224 M329T53.7 329 329 329 53.7285943193257 53.7285943193257 53.7285943193257 1 0 1 4312 2.5445055379729 0.564934570578489 0.653913408474375
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2073 M329T3497 M329.1T58.3 329.100006103516 329.100006103516 329.100006103516 58.2856591996206 58.2751090000565 58.2970503672956 4 2 2 [32][M+2]- 76 1.38655625901322 2.94937107040153 0.138226664491577
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2074 M329T3872 M329.1T64.5 329.100006103516 329.100006103516 329.100006103516 64.5331199134111 64.5331199134111 64.5331199134111 1 1 0 2738 17.1096776394795 -0.939949485824255 0.518846231653935
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2075 M329T3876 M329.2T64.6 329.200012207031 329.200012207031 329.200012207031 64.6054379689264 64.3753428542879 64.6202857662103 3 2 1 [34][M]- [M+HCOO]- 284.206 55 1.67997086590212 0.511021650441832 0.688244265279557
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2076 M329T3625 M329.2T60.4 329.200012207031 329.200012207031 329.200012207031 60.4227053736963 60.388537718931 60.4568730284616 2 2 0 [33][M+1]- 26 10.5426132884164 -12.0654226664601 0.0487636894092338
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2077 M329T2678 M329.2T44.6 329.200012207031 329.200012207031 329.200012207031 44.6340649183402 44.6340649183402 44.6340649183402 1 1 0 629 1.44349365447909 0.765862611365583 0.526498481872783
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2078 M329T2970 M329.2T49.5 329.200012207031 329.200012207031 329.200012207031 49.5073675390021 49.5073675390021 49.5073675390021 1 1 0 3252 Inf -1 0.5
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2079 M329T4136 M329.3T68.9 329.300018310547 329.300018310547 329.300018310547 68.9374216510452 68.9374216510452 68.9374216510452 1 1 0 3970 3.93130908011454 -1.23171429553155 0.384802364430147
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2080 M329T3898 M329.3T65 329.300018310547 329.300018310547 329.300018310547 64.969958176799 64.969958176799 64.969958176799 1 1 0 5753 2.83831945705409 -0.638585465646909 0.633458095356257
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2081 M330T3996 M329.8T66.6 329.800018310547 329.800018310547 329.800018310547 66.5952839536754 66.5952839536754 66.5952839536754 1 1 0 5438 8.94589867253927 -0.882719065355077 0.536691322436313
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2082 M330T2849 M329.9T47.5 329.899993896484 329.899993896484 329.899993896484 47.4782158020951 47.4782158020951 47.4782158020951 1 1 0 5630 Inf -1 0.5
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2083 M330T3116 M330T51.9 330 330 330 51.9267528846444 51.9267528846444 51.9267528846444 1 0 1 5039 2.53686149481877 0.673957215395338 0.591525922684921
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2084 M330T4080 M330T68 330 330 330 67.9930231487954 67.9930231487954 67.9930231487954 1 1 0 5719 1.01453384446246 0.0135661018489334 0.990966683281676
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2085 M330T3225 M330T53.8 330 330 330 53.7559989425396 53.7559989425396 53.7559989425396 1 1 0 4313 1.17602166320616 -0.14928214049238 0.905466307439809
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2086 M330T3764 M330T62.7 330 330 330 62.7261187804133 62.7261187804133 62.7261187804133 1 1 0 976 2.52651561178148 -1.29013230959673 0.345581029891254
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2087 M330T3949 M330T65.8 330 330 330 65.8226520119528 65.8226520119528 65.8226520119528 1 0 1 91 3.04821317559785 0.638459908253015 0.622378457566071
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2088 M330T3495 M330.1T58.2 330.100006103516 330.100006103516 330.100006103516 58.2456075639651 58.2155753837716 58.3008264737162 3 1 2 82 1.60302489582734 1.10500259965118 0.397061639915801
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2089 M330T3256 M330.1T54.3 330.100006103516 330.100006103516 330.100006103516 54.2738637650085 54.2738637650085 54.2738637650085 1 1 0 1899 5.01089925297092 -1.08921855929657 0.470812507579732
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2090 M330T3500 M330.2T58.3 330.200012207031 330.200012207031 330.200012207031 58.3366734462018 58.279218107523 58.3941287848805 2 1 1 [M-H]- 331.211 76 1.42925991517115 -0.372391601601112 0.753152430891423
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2091 M330T3627 M330.2T60.4 330.200012207031 330.200012207031 330.200012207031 60.4480507400366 60.388537718931 60.5075637611423 2 2 0 [33][M+2]- 26 8.9911602684838 -6.40171067578493 0.097923449230449
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2092 M330T3277 M330.2T54.6 330.200012207031 330.200012207031 330.200012207031 54.6167829483018 54.6167829483018 54.6167829483018 1 1 0 1239 6.15234626043805 -3.30217290523454 0.0842260772384593
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2093 M330T3877 M330.2T64.6 330.200012207031 330.200012207031 330.200012207031 64.6202857662103 64.6202857662103 64.6202857662103 1 0 1 [34][M+1]- 55 2.66039336415456 0.712405003614343 0.597563393134892
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2094 M330T2581 M330.2T43 330.200012207031 330.200012207031 330.200012207031 43.0157329099392 43.0157329099392 43.0157329099392 1 1 0 5687 Inf -1.33393362490352 0.409527992336534
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2095 M330T4114 M330.3T68.6 330.300018310547 330.300018310547 330.300018310547 68.5727882887184 68.5231777206461 68.6223988567907 2 1 1 [M-H]- 331.313 43 1.17781078114278 -0.178017299096993 0.885101740189798
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2096 M330T3528 M330.3T58.8 330.300018310547 330.300018310547 330.300018310547 58.7933303813603 58.7933303813603 58.7933303813603 1 0 1 1 Inf 3.20109050824856 0.192760750082948
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2097 M330T3838 M330.3T64 330.300018310547 330.300018310547 330.300018310547 63.9646712308958 63.9646712308958 63.9646712308958 1 0 1 3159 Inf 1 0.5
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2098 M330T3745 M330.3T62.4 330.300018310547 330.300018310547 330.300018310547 62.4217065074561 62.4217065074561 62.4217065074561 1 0 1 1047 Inf 1 0.5
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2099 M330T4043 M330.3T67.4 330.300018310547 330.300018310547 330.300018310547 67.3880596290852 67.3880596290852 67.3880596290852 1 1 0 5306 Inf -1 0.5
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2100 M330T4197 M330.4T69.9 330.399993896484 330.399993896484 330.399993896484 69.9435966366694 69.9435966366694 69.9435966366694 1 0 1 286 Inf 1.15713627598052 0.453707292527886
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2101 M331T4438 M330.9T74 330.899993896484 330.899993896484 330.899993896484 73.9724233598261 73.9724233598261 73.9724233598261 1 1 0 317 Inf -1 0.5
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2102 M331T3521 M331T58.7 331 331 331 58.6881794210259 58.6881794210259 58.6881794210259 1 1 0 393 2.60182638025982 -0.609593124691259 0.648297784302919
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2103 M331T3822 M331T63.7 331 331 331 63.7041691665313 63.7041691665313 63.7041691665313 1 1 0 1856 11.8625986888948 -0.912465077060862 0.527397054440248
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2104 M331T3977 M331T66.3 331 331 331 66.2906090575801 66.2906090575801 66.2906090575801 1 0 1 2021 1.03126718220018 -0.035264640607796 0.977184211193891
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2105 M331T3497 M331.1T58.3 331.100006103516 331.100006103516 331.100006103516 58.2751090000565 58.1215299649984 58.3748252024416 3 2 1 82 1.68410981864554 -0.654432043158421 0.584656820835554
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2106 M331T3453 M331.1T57.6 331.100006103516 331.100006103516 331.100006103516 57.5515089511867 57.5515089511867 57.5515089511867 1 0 1 19 1.11102246102513 0.159203872059468 0.890084984431089
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2107 M331T3887 M331.1T64.8 331.100006103516 331.100006103516 331.100006103516 64.7772731038213 64.7772731038213 64.7772731038213 1 0 1 2232 3.68933015959422 0.93537380440773 0.502067404384019
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2108 M331T3448 M331.2T57.5 331.200012207031 331.200012207031 331.200012207031 57.4662147392676 57.4459985873306 57.4864308912045 2 1 1 [M-H-H2O]- 350.226 62 1.2470375407129 1.38320467661629 0.314471272356496
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2109 M331T3488 M331.2T58.1 331.200012207031 331.200012207031 331.200012207031 58.1316826746805 58.0691763348732 58.1941890144878 2 1 1 [M-H-CH3]- 347.229 31 1.49493930950392 0.800216539042265 0.514050985632174
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2110 M331T2522 M331.2T42 331.200012207031 331.200012207031 331.200012207031 42.0270444711501 42.0270444711501 42.0270444711501 1 0 1 5046 Inf 1.77991004946264 0.325871288136519
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2111 M331T3172 M331.2T52.9 331.200012207031 331.200012207031 331.200012207031 52.8693499623457 52.8693499623457 52.8693499623457 1 0 1 741 2.07174835561419 0.509866962002886 0.696001080277206
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2112 M331T4130_1 M331.2T68.8_1 331.200012207031 331.200012207031 331.200012207031 68.8333775949274 68.8333775949274 68.8333775949274 1 0 1 1465 2.67998072935931 0.587309043256262 0.643960092995473
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2113 M331T3780 M331.3T63 331.300018310547 331.300018310547 331.300018310547 63.0023932176446 63.0023932176446 63.0023932176446 1 0 1 3670 Inf 1 0.5
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2114 M331T3628 M331.3T60.5 331.300018310547 331.300018310547 331.300018310547 60.4706701712737 60.4706701712737 60.4706701712737 1 0 1 1609 Inf 1 0.5
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2115 M331T4130_2 M331.3T68.8_2 331.300018310547 331.300018310547 331.300018310547 68.8389740321595 68.8389740321595 68.8389740321595 1 0 1 1483 3.76119721045751 0.709479389825744 0.59489759927519
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2116 M331T3926 M331.4T65.4 331.399993896484 331.399993896484 331.399993896484 65.4304591715761 65.4304591715761 65.4304591715761 1 1 0 2962 1.46620505830506 0.346561122484868 0.762309672697489
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2117 M332T3973 M331.5T66.2 331.5 331.5 331.5 66.2186471064123 66.2186471064123 66.2186471064123 1 1 0 2022 Inf -1 0.5
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2118 M332T3281 M332T54.7 332 332 332 54.6915940667403 54.6915940667403 54.6915940667403 1 1 0 1240 Inf -1 0.5
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2119 M332T4152 M332T69.2 332 332 332 69.1997922232954 69.1997922232954 69.1997922232954 1 1 0 6041 1.36076951923604 -0.265003932568453 0.835024304620882
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2120 M332T3739 M332T62.3 332 332 332 62.319572107393 62.319572107393 62.319572107393 1 1 0 4711 Inf -1 0.5
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2121 M332T3155 M332T52.6 332 332 332 52.5832662105394 52.5832662105394 52.5832662105394 1 0 1 [M-H-C4H4]- 385.033 229 2.85367545239883 2.68868386672387 0.191143793283511
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2122 M332T3135 M332T52.2 332 332 332 52.2429098507451 52.2429098507451 52.2429098507451 1 0 1 5006 1.8907774280252 1.19368905127789 0.379361424435402
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2123 M332T4478 M332.1T74.6 332.100006103516 332.100006103516 332.100006103516 74.6297870460506 74.6297870460506 74.6297870460506 1 1 0 271 Inf -1.37833721395597 0.399570339170495
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2124 M332T3110 M332.2T51.8 332.200012207031 332.200012207031 332.200012207031 51.8332001944449 51.8332001944449 51.8332001944449 1 0 1 165 Inf 1.49916986955559 0.374496754391226
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2125 M332T2859 M332.2T47.7 332.200012207031 332.200012207031 332.200012207031 47.6502998517399 47.6502998517399 47.6502998517399 1 1 0 4255 Inf -1 0.5
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2126 M332T3865 M332.4T64.4 332.399993896484 332.399993896484 332.399993896484 64.4245704195963 64.4245704195963 64.4245704195963 1 0 1 1371 Inf 1 0.5
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2127 M332T4232 M332.4T70.5 332.399993896484 332.399993896484 332.399993896484 70.5295233598261 70.5295233598261 70.5295233598261 1 1 0 280 Inf -1 0.5
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2128 M333T2704 M332.9T45.1 332.899993896484 332.899993896484 332.899993896484 45.0628238642566 45.0613546834962 45.0642930450171 2 1 1 4865 1.07374964533284 0.0502625067149959 0.964501870455923
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2129 M333T4080 M332.9T68 332.899993896484 332.899993896484 332.899993896484 67.99838347515 67.99838347515 67.99838347515 1 0 1 5720 Inf 1 0.5
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2130 M333T3355 M332.9T55.9 332.899993896484 332.899993896484 332.899993896484 55.910472838249 55.910472838249 55.910472838249 1 0 1 723 Inf 1 0.5
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2131 M333T3521 M333T58.7 333 333 333 58.6762856708046 58.6762856708046 58.6762856708046 1 0 1 368 1.24041475861008 0.389155773902489 0.735261366101299
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2132 M333T4231 M333T70.5 333 333 333 70.5087537127173 70.5087537127173 70.5087537127173 1 1 0 5420 Inf -1 0.5
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2133 M333T3055 M333T50.9 333 333 333 50.9246441069295 50.9246441069295 50.9246441069295 1 0 1 3480 1.61240651299144 -0.5873634696051 0.649788499011078
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2134 M333T3930 M333T65.5 333 333 333 65.5021306501436 65.5021306501436 65.5021306501436 1 0 1 2991 1.14696524477548 0.127079883460217 0.919017600158908
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2135 M333T2989 M333.2T49.8 333.200012207031 333.200012207031 333.200012207031 49.8202090050826 49.8202090050826 49.8202090050826 1 1 0 4627 2.00820043778291 -0.449406209252775 0.710561380482463
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2136 M333T2958 M333.2T49.3 333.200012207031 333.200012207031 333.200012207031 49.2990401143379 49.2990401143379 49.2990401143379 1 1 0 3253 Inf -1 0.5
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2137 M333T3744 M333.3T62.4 333.300018310547 333.300018310547 333.300018310547 62.4013598181144 62.4013598181144 62.4013598181144 1 0 1 1036 Inf 1 0.5
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2138 M333T3299 M333.3T55 333.300018310547 333.300018310547 333.300018310547 54.9867149731889 54.9867149731889 54.9867149731889 1 1 0 2602 3.36750621940494 -0.702270663791838 0.609812552421879
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2139 M333T3837 M333.4T64 333.399993896484 333.399993896484 333.399993896484 63.9556912991038 63.9556912991038 63.9556912991038 1 1 0 3160 1.36354169262178 -0.21499505340416 0.851277184106987
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2140 M333T4179 M333.4T69.7 333.399993896484 333.399993896484 333.399993896484 69.654150830977 69.654150830977 69.654150830977 1 0 1 4385 Inf 1 0.5
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2141 M333T4007 M333.4T66.8 333.399993896484 333.399993896484 333.399993896484 66.7886237877282 66.7886237877282 66.7886237877282 1 0 1 5213 1.29070992868265 -0.211097597468738 0.852418658931256
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2142 M334T4135 M333.8T68.9 333.800018310547 333.800018310547 333.800018310547 68.9178140980764 68.9178140980764 68.9178140980764 1 0 1 3971 Inf 1 0.5
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2143 M334T3892 M333.9T64.9 333.899993896484 333.899993896484 333.899993896484 64.8660337506906 64.8660337506906 64.8660337506906 1 1 0 138 Inf -1 0.5
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2144 M334T3234 M333.9T53.9 333.899993896484 333.899993896484 333.899993896484 53.893243072481 53.893243072481 53.893243072481 1 1 0 2711 Inf -1 0.5
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2145 M334T3547 M333.9T59.1 333.899993896484 333.899993896484 333.899993896484 59.1164907588542 59.1164907588542 59.1164907588542 1 0 1 2338 Inf 1 0.5
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2146 M334T3757 M334T62.6 334 334 334 62.6097822557779 62.6097822557779 62.6097822557779 1 1 0 934 1.61581047281956 -0.460695643081137 0.702821780818713
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2147 M334T3365 M334T56.1 334 334 334 56.080310724162 56.080310724162 56.080310724162 1 1 0 4648 2.12849554213712 -0.479863716916293 0.694760365160672
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2148 M334T3238 M334T54 334 334 334 53.96361463338 53.96361463338 53.96361463338 1 0 1 [M-H-H6O3]- 389.033 54 5.87626178574201 0.818062798061864 0.557351531404832
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2149 M334T3143 M334T52.4 334 334 334 52.3870500762717 52.3870500762717 52.3870500762717 1 0 1 3109 2.56309118095894 2.92553033268563 0.111181028753271
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2150 M334T3683 M334T61.4 334 334 334 61.3812954621756 61.3812954621756 61.3812954621756 1 1 0 589 Inf -2.197354347366 0.271888188479555
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2151 M334T3611 M334T60.2 334 334 334 60.1890068356184 60.1890068356184 60.1890068356184 1 0 1 2580 3.2800950758381 0.6649168269458 0.611822408917278
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2152 M334T3033 M334.1T50.6 334.100006103516 334.100006103516 334.100006103516 50.5504507080554 50.5504507080554 50.5504507080554 1 1 0 2131 13.2875248524005 -0.981656426418835 0.505891555205139
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2153 M334T4147 M334.1T69.1 334.100006103516 334.100006103516 334.100006103516 69.1207024102231 69.1207024102231 69.1207024102231 1 1 0 5625 2.23666201076627 -0.618738716879681 0.612456564213496
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2154 M334T3005 M334.1T50.1 334.100006103516 334.100006103516 334.100006103516 50.0810568663188 50.0810568663188 50.0810568663188 1 1 0 105 13.5942156147632 -0.99395202319642 0.501903638039589
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2155 M334T3655 M334.1T60.9 334.100006103516 334.100006103516 334.100006103516 60.9167454656271 60.9167454656271 60.9167454656271 1 1 0 [M+Cl]- 299.131 47 2.02573303718402 -1.37269818778704 0.339562427760111
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2156 M334T4053 M334.3T67.5 334.300018310547 334.300018310547 334.300018310547 67.5462092090621 67.5462092090621 67.5462092090621 1 1 0 3408 12.5687529834951 -1.39686035648016 0.390684438589726
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2157 M334T3456 M334.3T57.6 334.300018310547 334.300018310547 334.300018310547 57.6000365238268 57.6000365238268 57.6000365238268 1 1 0 1270 3.14038053637212 -0.649435904878343 0.617950937594278
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2158 M334T3686 M334.3T61.4 334.300018310547 334.300018310547 334.300018310547 61.4386665319626 61.4386665319626 61.4386665319626 1 1 0 [M-H-NaOH]- 375.305 5 8.25762906488098 -0.872525253210936 0.539897895097019
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2159 M334T4186 M334.3T69.8 334.300018310547 334.300018310547 334.300018310547 69.7730173200639 69.7730173200639 69.7730173200639 1 1 0 6061 Inf -1 0.5
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2160 M334T3727 M334.3T62.1 334.300018310547 334.300018310547 334.300018310547 62.1099996292991 62.1099996292991 62.1099996292991 1 1 0 3558 Inf -1 0.5
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2161 M334T3516 M334.4T58.6 334.399993896484 334.399993896484 334.399993896484 58.5944529096442 58.5944529096442 58.5944529096442 1 1 0 394 Inf -1 0.5
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2162 M334T4099 M334.4T68.3 334.399993896484 334.399993896484 334.399993896484 68.3164433438469 68.3164433438469 68.3164433438469 1 0 1 5094 11.6310112615034 0.910663314832348 0.527958190785697
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2163 M334T4044 M334.4T67.4 334.399993896484 334.399993896484 334.399993896484 67.3942464348878 67.3942464348878 67.3942464348878 1 0 1 4111 Inf 2.88958383811827 0.212102581928412
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2164 M334T4182 M334.5T69.7 334.5 334.5 334.5 69.6947584361798 69.6947584361798 69.6947584361798 1 1 0 6003 Inf -1 0.5
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2165 M335T3158 M334.8T52.6 334.800018310547 334.800018310547 334.800018310547 52.6256301906573 52.6256301906573 52.6256301906573 1 0 1 829 Inf 1 0.5
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2166 M335T3980 M334.9T66.3 334.899993896484 334.899993896484 334.899993896484 66.3344623416275 66.323335120648 66.345589562607 2 1 1 2071 1.05843205775147 0.102448613370046 0.934838131603807
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2167 M335T2845 M334.9T47.4 334.899993896484 334.899993896484 334.899993896484 47.4148965968474 47.4148965968474 47.4148965968474 1 1 0 5525 Inf -1 0.5
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2168 M335T4141 M334.9T69 334.899993896484 334.899993896484 334.899993896484 69.0229328498659 69.0229328498659 69.0229328498659 1 0 1 4214 Inf 1 0.5
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2169 M335T3907 M334.9T65.1 334.899993896484 334.899993896484 334.899993896484 65.1132406572967 65.1132406572967 65.1132406572967 1 1 0 4824 5.54676260402891 -0.806709331078594 0.561080343030325
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2170 M335T3787 M334.9T63.1 334.899993896484 334.899993896484 334.899993896484 63.1152759049516 63.1152759049516 63.1152759049516 1 1 0 4451 Inf -1 0.5
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2171 M335T2784 M335T46.4 335 335 335 46.3931016285452 46.3676942436727 46.4044291972713 3 2 1 [M-H+NaCOOH]- 268.009 12 1.7330284816607 -0.60859352545086 0.610737743527389
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2172 M335T4126 M335T68.8 335 335 335 68.7704847984618 68.7075920019962 68.8333775949274 2 0 2 23 2.09235360087128 2.37330053985461 0.253863473910252
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2173 M335T3510 M335T58.5 335 335 335 58.5049043819478 58.5049043819478 58.5049043819478 1 1 0 4523 3.09111463750827 -0.663871756331468 0.620379896031853
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2174 M335T2535 M335.2T42.2 335.200012207031 335.200012207031 335.200012207031 42.2498680813335 42.2498680813335 42.2498680813335 1 0 1 5778 Inf 4.64651521610995 0.134951740654892
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2175 M335T3859 M335.2T64.3 335.200012207031 335.200012207031 335.200012207031 64.3194530648579 64.3194530648579 64.3194530648579 1 0 1 21 4.60300498405109 2.35413978152408 0.14546560132442
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2176 M335T3873 M335.3T64.6 335.300018310547 335.300018310547 335.300018310547 64.5531370274214 64.5531370274214 64.5531370274214 1 1 0 2739 3.6007541521008 -0.695940542156877 0.599931860494388
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2177 M335T3531 M335.3T58.9 335.300018310547 335.300018310547 335.300018310547 58.8569191487398 58.8569191487398 58.8569191487398 1 0 1 1953 Inf 2.76748582839631 0.220741711895927
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2178 M335T3634 M335.3T60.6 335.300018310547 335.300018310547 335.300018310547 60.5700469053989 60.5700469053989 60.5700469053989 1 1 0 2361 2.93438126800458 -1.51946862053659 0.274488117813938
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2179 M335T4092 M335.4T68.2 335.399993896484 335.399993896484 335.399993896484 68.2065490621238 68.2065490621238 68.2065490621238 1 1 0 4962 Inf -1 0.5
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2180 M335T3908 M335.4T65.1 335.399993896484 335.399993896484 335.399993896484 65.1256297334466 65.1256297334466 65.1256297334466 1 1 0 4796 Inf -2.44997792059449 0.246707324348057
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2181 M336T4074 M335.8T67.9 335.800018310547 335.800018310547 335.800018310547 67.9029493123408 67.9029493123408 67.9029493123408 1 0 1 3852 6.88263765857678 0.845825759764879 0.548375717797612
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2182 M336T2783 M336T46.4 336 336 336 46.3803979361089 46.3676942436727 46.3931016285452 2 1 1 142 1.91655104136146 -0.631217903247375 0.599145141279742
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2183 M336T3069 M336T51.2 336 336 336 51.1542737390657 51.1542737390657 51.1542737390657 1 0 1 2415 2.11658694452868 0.768743212192396 0.579279979555373
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2184 M336T2941 M336T49 336 336 336 49.0131224056556 49.0131224056556 49.0131224056556 1 1 0 57 Inf -1 0.5
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2185 M336T3055 M336T50.9 336 336 336 50.9160977155763 50.9160977155763 50.9160977155763 1 1 0 3487 26.415079777426 -1.40535994611471 0.39268662563971
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2186 M336T3966 M336T66.1 336 336 336 66.1066461909734 66.1066461909734 66.1066461909734 1 0 1 2023 Inf 1 0.5
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2187 M336T3191 M336.1T53.2 336.100006103516 336.100006103516 336.100006103516 53.1814849627454 53.1814849627454 53.1814849627454 1 0 1 2214 1.02587732698542 -0.0323376867183182 0.9787768689201
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2188 M336T3695 M336.2T61.6 336.200012207031 336.200012207031 336.200012207031 61.5830738323386 61.5830738323386 61.5830738323386 1 0 1 571 1.10583347289333 -0.25345017487349 0.829434614000588
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2189 M336T3614 M336.2T60.2 336.200012207031 336.200012207031 336.200012207031 60.2273927664993 60.2273927664993 60.2273927664993 1 1 0 [35][M]- 2581 38.4406830155218 -1.00445148429913 0.498585144554438
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2190 M336T2988 M336.2T49.8 336.200012207031 336.200012207031 336.200012207031 49.7941270071295 49.7941270071295 49.7941270071295 1 1 0 124 11.7960539330859 -1.06852855087304 0.4788572320315
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2191 M336T3429 M336.3T57.2 336.300018310547 336.300018310547 336.300018310547 57.1508294743573 57.1508294743573 57.1508294743573 1 1 0 5262 1.13093473073362 -0.0867324118472476 0.938890624680351
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2192 M336T2911 M336.3T48.5 336.300018310547 336.300018310547 336.300018310547 48.5225151963109 48.5225151963109 48.5225151963109 1 1 0 56 Inf -1.96077535459218 0.30024097274639
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2193 M336T3068 M336.3T51.1 336.300018310547 336.300018310547 336.300018310547 51.125585380837 51.125585380837 51.125585380837 1 1 0 2428 Inf -1 0.5
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2194 M336T2734 M336.3T45.6 336.300018310547 336.300018310547 336.300018310547 45.5720127970604 45.5720127970604 45.5720127970604 1 0 1 2475 Inf 1 0.5
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2195 M336T3790 M336.4T63.2 336.399993896484 336.399993896484 336.399993896484 63.1609050395012 63.1609050395012 63.1609050395012 1 0 1 4452 Inf 1 0.5
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2196 M336T4083 M336.5T68.1 336.5 336.5 336.5 68.0509125128589 68.0509125128589 68.0509125128589 1 0 1 5721 Inf 1 0.5
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2197 M337T3869 M336.9T64.5 336.899993896484 336.899993896484 336.899993896484 64.477130406166 64.477130406166 64.477130406166 1 0 1 1372 Inf 1 0.5
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2198 M337T4083 M336.9T68 336.899993896484 336.899993896484 336.899993896484 68.0497403499121 68.0497403499121 68.0497403499121 1 1 0 5722 Inf -5.04959035352507 0.124463149690172
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2199 M337T2794 M336.9T46.6 336.899993896484 336.899993896484 336.899993896484 46.574685052508 46.574685052508 46.574685052508 1 1 0 912 Inf -1 0.5
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2200 M337T2960 M337T49.3 337 337 337 49.3250663083565 49.3250663083565 49.3250663083565 1 1 0 [36][M]- 72 2.91205760352581 -0.825264534829741 0.55533673478749
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2201 M337T3400 M337T56.7 337 337 337 56.671400130398 56.671400130398 56.671400130398 1 1 0 1316 Inf -1.80598420279737 0.321932706714677
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2202 M337T2893 M337.1T48.2 337.100006103516 337.100006103516 337.100006103516 48.2239900144358 48.2239900144358 48.2239900144358 1 0 1 3828 6.04400208529189 4.46078067773647 0.0755738739508223
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2203 M337T3450 M337.1T57.5 337.100006103516 337.100006103516 337.100006103516 57.4994466942358 57.4994466942358 57.4994466942358 1 0 1 3330 1.74300822040794 1.07578847074304 0.472045766454757
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2204 M337T3650 M337.1T60.8 337.100006103516 337.100006103516 337.100006103516 60.839372157717 60.839372157717 60.839372157717 1 1 0 24 1.08742027848963 -0.119458048548142 0.915943775541596
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2205 M337T3430 M337.2T57.2 337.200012207031 337.200012207031 337.200012207031 57.1713516082879 57.1090612789796 57.2336419375963 2 0 2 5263 Inf 2.71230120077809 0.224871746987843
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2206 M337T3714 M337.2T61.9 337.200012207031 337.200012207031 337.200012207031 61.8962799284463 61.8962799284463 61.8962799284463 1 0 1 1160 27.7613651461375 2.32557764710063 0.25553342705144
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2207 M337T3388 M337.2T56.5 337.200012207031 337.200012207031 337.200012207031 56.4654670360758 56.4654670360758 56.4654670360758 1 1 0 477 1.13427483873662 0.133241073122795 0.915169446770447
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2208 M337T3059 M337.2T51 337.200012207031 337.200012207031 337.200012207031 50.9770156554468 50.9770156554468 50.9770156554468 1 0 1 209 Inf 1 0.5
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2209 M337T3615 M337.2T60.3 337.200012207031 337.200012207031 337.200012207031 60.2531026958278 60.2531026958278 60.2531026958278 1 1 0 [35][M+1]- 2563 30.4143489942322 -1.11075296615485 0.466549594269833
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2210 M337T3917 M337.3T65.3 337.300018310547 337.300018310547 337.300018310547 65.2811664369697 65.2811664369697 65.2811664369697 1 1 0 5134 2.35699390751852 -0.636036606010184 0.617045393593222
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2211 M338T3332 M337.9T55.5 337.899993896484 337.899993896484 337.899993896484 55.539442159859 55.539442159859 55.539442159859 1 0 1 1099 Inf 1 0.5
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2212 M338T2644 M337.9T44.1 337.899993896484 337.899993896484 337.899993896484 44.0674621723734 44.0674621723734 44.0674621723734 1 0 1 5653 1.4533887709857 0.256996564644445 0.823874674840487
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2213 M338T3335 M338T55.6 338 338 338 55.5866343730178 55.5866343730178 55.5866343730178 1 1 0 [M-H]- 339.006 [M-H-NH3]- 356.035 15 1.52010444389313 -0.735837721063595 0.538600133334303
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2214 M338T2887 M338T48.1 338 338 338 48.1162959745194 48.1162959745194 48.1162959745194 1 0 1 194 2.41136081455611 0.991148015809382 0.489689155272967
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2215 M338T3402 M338T56.7 338 338 338 56.7025176463546 56.7025176463546 56.7025176463546 1 1 0 1317 1.45193499008705 0.45178095826002 0.729779438758957
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2216 M338T2958 M338T49.3 338 338 338 49.2990401143379 49.2990401143379 49.2990401143379 1 1 0 [36][M+1]- 3254 14.014789478044 -1.40968501551403 0.388858065118749
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2217 M338T3022 M338.1T50.4 338.100006103516 338.100006103516 338.100006103516 50.3601982702519 50.341801224388 50.3755213268837 4 2 2 [37][M]- [M-H]- 339.11 39 1.12264428727109 -0.976161774108966 0.489549063521638
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2218 M338T2789 M338.1T46.5 338.100006103516 338.100006103516 338.100006103516 46.4836398781914 46.4670382320035 46.5002415243792 2 0 2 [M-H-CO]- 367.108 12 1.25558906884329 0.708375639510685 0.59368831417507
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2219 M338T3664 M338.2T61.1 338.200012207031 338.200012207031 338.200012207031 61.066533322011 61.0351819098034 61.1467514117221 4 2 2 2 1.02162765234366 0.297781271493653 0.814358848337432
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2220 M338T3835 M338.2T63.9 338.200012207031 338.200012207031 338.200012207031 63.9087703869715 63.8249486295551 63.9646712308958 4 2 2 3344 1.44691326447197 -0.384527437115351 0.755786018052473
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2221 M338T3293 M338.2T54.9 338.200012207031 338.200012207031 338.200012207031 54.8812610887639 54.8812610887639 54.8812610887639 1 1 0 205 3.41954672645153 -2.04822058188225 0.200474260488294
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2222 M338T2703 M338.2T45.1 338.200012207031 338.200012207031 338.200012207031 45.0532519299489 45.0532519299489 45.0532519299489 1 1 0 4866 Inf -3.04251905014023 0.202160026487589
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2223 M338T3208 M338.2T53.5 338.200012207031 338.200012207031 338.200012207031 53.47251935441 53.47251935441 53.47251935441 1 1 0 4282 2.46383359184259 -1.45392713022644 0.378961193152719
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2224 M338T3258 M338.3T54.3 338.300018310547 338.300018310547 338.300018310547 54.2919017405391 54.2919017405391 54.2919017405391 1 0 1 3601 Inf 1 0.5
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2225 M338T3349 M338.3T55.8 338.300018310547 338.300018310547 338.300018310547 55.8216030760909 55.8216030760909 55.8216030760909 1 1 0 693 Inf -1 0.5
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2226 M339T2771 M339T46.2 339 339 339 46.1840071118045 46.1840071118045 46.1840071118045 2 1 0 151 3.66019856327168 -3.40059313954062 0.148123135118744
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2227 M339T4149 M339T69.1 339 339 339 69.1468068575433 69.1468068575433 69.1468068575433 1 1 0 289 Inf -1 0.5
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2228 M339T4162 M339T69.4 339 339 339 69.3647791271153 69.3647791271153 69.3647791271153 1 0 1 6035 2.1100428877297 0.475390658819648 0.697042011785493
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2229 M339T2909 M339T48.5 339 339 339 48.4902198805205 48.4902198805205 48.4902198805205 1 0 1 2767 4.07833457773985 1.08322050097078 0.441849629390107
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2230 M339T2605 M339T43.4 339 339 339 43.4118547793471 43.4118547793471 43.4118547793471 1 1 0 [M+Cl]- 304.033 [M-H]- 340.009 157 Inf -18.9168053244696 0.0336223660421284
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2231 M339T3277 M339.1T54.6 339.100006103516 339.100006103516 339.100006103516 54.6093088228788 54.6093088228788 54.6093088228788 1 0 1 1241 2.36239648071907 0.960357873566389 0.509171421783372
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2232 M339T3313 M339.1T55.2 339.100006103516 339.100006103516 339.100006103516 55.2192002617451 55.2192002617451 55.2192002617451 1 1 0 528 Inf -1 0.5
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2233 M339T3129 M339.1T52.1 339.100006103516 339.100006103516 339.100006103516 52.1490122192665 52.1490122192665 52.1490122192665 1 0 1 163 8.7831969828537 0.880458066803663 0.537401355241429
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2234 M339T3245 M339.1T54.1 339.100006103516 339.100006103516 339.100006103516 54.0787551346586 54.0787551346586 54.0787551346586 1 0 1 80 7.56744721203768 2.26793721611375 0.220314764140629
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2235 M339T3779 M339.1T63 339.100006103516 339.100006103516 339.100006103516 62.9873925100067 62.9873925100067 62.9873925100067 1 1 0 3671 8.35488613097679 -1.01390907349188 0.490554353694826
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2236 M339T3024 M339.1T50.4 339.100006103516 339.100006103516 339.100006103516 50.3943741112998 50.3943741112998 50.3943741112998 1 1 0 [37][M+1]- 2117 2.56912492296937 -0.968574408780446 0.500593231392973
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2237 M339T3315 M339.2T55.3 339.200012207031 339.200012207031 339.200012207031 55.2500715017082 55.035040130052 55.4293378814689 5 2 2 [M+Cl]- 304.233 [M-H]- 340.206 [M-H-H2]- 342.211 4 1.65917787923469 1.38162129014594 0.368813233388765
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2238 M339T3784 M339.2T63.1 339.200012207031 339.200012207031 339.200012207031 63.0732833463999 62.9759738518984 63.1705928409015 2 1 1 [M-H-CO2]- 384.205 [M-H-N2O]- 384.205 [M-H-C2H4O]- 384.229 [M-H-CONH2]- 384.229 88 1.23159771910779 0.169113775614917 0.881471276973628
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2239 M339T3492 M339.2T58.2 339.200012207031 339.200012207031 339.200012207031 58.2004056272937 58.2004056272937 58.2004056272937 1 1 0 [M-2H+Na]- 318.229 31 1.0031738069466 -0.00784378827572682 0.995005991672278
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2240 M339T3664 M339.2T61.1 339.200012207031 339.200012207031 339.200012207031 61.0677260191083 61.0677260191083 61.0677260191083 1 0 1 2 1.54734035309072 0.64440794789011 0.634783555001355
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2241 M339T3038 M339.2T50.6 339.200012207031 339.200012207031 339.200012207031 50.6256074804401 50.6256074804401 50.6256074804401 1 1 0 3212 3.80264426821253 -0.748226248500693 0.586245103165462
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2242 M339T3118 M339.2T52 339.200012207031 339.200012207031 339.200012207031 51.9645785691881 51.9645785691881 51.9645785691881 1 0 1 5030 1.51560435529404 -0.37018852353498 0.756650987490342
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2243 M339T4214 M339.2T70.2 339.200012207031 339.200012207031 339.200012207031 70.2266944485552 70.2266944485552 70.2266944485552 1 0 1 5320 7.47462901026979 10.9328903605869 0.0471127356727776
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2244 M339T4110 M339.3T68.5 339.300018310547 339.300018310547 339.300018310547 68.4974193491718 68.4974193491718 68.4974193491718 1 0 1 2295 Inf 1 0.5
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2245 M339T4207 M339.3T70.1 339.300018310547 339.300018310547 339.300018310547 70.1121127676577 70.1121127676577 70.1121127676577 1 1 0 4927 5.05288409278994 -0.786832255124368 0.567703246459299
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2246 M339T4192 M339.3T69.9 339.300018310547 339.300018310547 339.300018310547 69.8646547167243 69.8646547167243 69.8646547167243 1 0 1 6160 4.03566203985807 0.730128042891472 0.587388759145792
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2247 M339T4294 M339.4T71.6 339.399993896484 339.399993896484 339.399993896484 71.5650358483176 71.5650358483176 71.5650358483176 1 0 1 282 6.50685564343317 0.836495088495002 0.551371708895512
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2248 M339T4172 M339.4T69.5 339.399993896484 339.399993896484 339.399993896484 69.5403852759756 69.5403852759756 69.5403852759756 1 1 0 4386 Inf -1 0.5
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2249 M340T2520 M340T42 340 340 340 41.9985162432725 41.9985162432725 41.9985162432725 1 1 0 5047 Inf -1 0.5
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2250 M340T2548 M340T42.5 340 340 340 42.4679995766058 42.4679995766058 42.4679995766058 1 1 0 153 Inf -1 0.5
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2251 M340T2760 M340T46 340 340 340 46.0003227945505 46.0003227945505 46.0003227945505 1 1 0 5490 Inf -1 0.5
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2252 M340T3878 M340T64.6 340 340 340 64.6384283091249 64.6384283091249 64.6384283091249 1 1 0 2740 2.03359844532804 -0.456099423678164 0.707035840673894
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2253 M340T4208 M340.1T70.1 340.100006103516 340.100006103516 340.100006103516 70.1381993525153 70.1381993525153 70.1381993525153 1 1 0 4928 2.72050278762361 1.00969510868181 0.427596222183512
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2254 M340T3320 M340.2T55.3 340.200012207031 340.200012207031 340.200012207031 55.3334338236129 55.3334338236129 55.3334338236129 1 0 1 16 1.19049775291515 1.14604755356308 0.385631913245282
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2255 M340T3037 M340.3T50.6 340.300018310547 340.300018310547 340.300018310547 50.6100010187586 50.6100010187586 50.6100010187586 1 0 1 3218 Inf 1 0.5
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2256 M340T3531 M340.3T58.9 340.300018310547 340.300018310547 340.300018310547 58.8569000794157 58.8569000794157 58.8569000794157 1 1 0 1954 4.32651622472309 -0.832085211455406 0.544548304727733
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2257 M340T3232 M340.3T53.9 340.300018310547 340.300018310547 340.300018310547 53.8668122357755 53.8668122357755 53.8668122357755 1 1 0 2712 Inf -1 0.5
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2258 M340T3604 M340.3T60.1 340.300018310547 340.300018310547 340.300018310547 60.0745266554824 60.0745266554824 60.0745266554824 1 1 0 1449 Inf -1.23234458338899 0.433977716651486
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2259 M340T4146 M340.5T69.1 340.5 340.5 340.5 69.0948871460575 69.0948871460575 69.0948871460575 1 1 0 5828 Inf -1 0.5
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2260 M341T4136 M340.8T68.9 340.800018310547 340.800018310547 340.800018310547 68.9374216510452 68.9374216510452 68.9374216510452 1 1 0 99 Inf -1 0.5
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2261 M341T2682 M340.8T44.7 340.800018310547 340.800018310547 340.800018310547 44.7008009682578 44.7008009682578 44.7008009682578 1 1 0 649 Inf -1 0.5
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2262 M341T3207 M340.8T53.4 340.800018310547 340.800018310547 340.800018310547 53.4463475890788 53.4463475890788 53.4463475890788 1 1 0 4289 Inf -1 0.5
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2263 M341T4088 M340.9T68.1 340.899993896484 340.899993896484 340.899993896484 68.1355547524283 68.1355547524283 68.1355547524283 1 0 1 4975 3.10597796026184 0.645413691181727 0.619565378711088
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2264 M341T3722 M340.9T62 340.899993896484 340.899993896484 340.899993896484 62.0256451257484 62.0256451257484 62.0256451257484 1 1 0 3439 Inf -1 0.5
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2265 M341T3039 M340.9T50.7 340.899993896484 340.899993896484 340.899993896484 50.654836163448 50.654836163448 50.654836163448 1 1 0 3219 2.58861333716539 -0.572462346471338 0.65052881393879
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2266 M341T3844 M341T64.1 341 341 341 64.0697662886801 64.0697662886801 64.0697662886801 1 0 1 [M-H]- 342.003 21 2.44758261891945 0.579549652566157 0.659544840062731
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2267 M341T3194 M341T53.2 341 341 341 53.2335336651218 53.2335336651218 53.2335336651218 1 0 1 30 Inf 1.29656931206551 0.418242060408745
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2268 M341T3330 M341T55.5 341 341 341 55.5080371154233 55.5080371154233 55.5080371154233 1 1 0 1100 5.61268538787211 -0.809090694029934 0.560295143928867
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2269 M341T4280 M341.1T71.3 341.100006103516 341.100006103516 341.100006103516 71.3302858483176 71.3302858483176 71.3302858483176 1 0 1 6105 Inf 1 0.5
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2270 M341T4303 M341.1T71.7 341.100006103516 341.100006103516 341.100006103516 71.7085537127173 71.7085537127173 71.7085537127173 1 1 0 293 Inf -1 0.5
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2271 M341T4170 M341.1T69.5 341.100006103516 341.100006103516 341.100006103516 69.4963083146132 69.4963083146132 69.4963083146132 1 0 1 5923 12.1897489656043 1.26683356939268 0.421379668205906
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2272 M341T2897 M341.2T48.3 341.200012207031 341.200012207031 341.200012207031 48.2777820327918 48.2777820327918 48.2777820327918 1 0 1 3829 Inf 1 0.5
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2273 M341T3309 M341.2T55.1 341.200012207031 341.200012207031 341.200012207031 55.1430121663691 55.1430121663691 55.1430121663691 1 0 1 [M+Cl]- 306.233 [M-H]- 342.211 4 1.0517458177202 -0.0356556714171825 0.974802929046051
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2274 M341T3692 M341.2T61.5 341.200012207031 341.200012207031 341.200012207031 61.531061010891 61.531061010891 61.531061010891 1 0 1 590 5.9839279614002 1.11741680980127 0.450525373153609
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2275 M341T3837 M341.2T64 341.200012207031 341.200012207031 341.200012207031 63.9515740439647 63.9515740439647 63.9515740439647 1 0 1 3161 13.1909417646516 11.4562211244898 0.0315107233993581
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2276 M341T3009 M341.2T50.1 341.200012207031 341.200012207031 341.200012207031 50.1453204709847 50.1453204709847 50.1453204709847 1 0 1 2081 Inf 1 0.5
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2277 M341T4016 M341.2T66.9 341.200012207031 341.200012207031 341.200012207031 66.9391540824249 66.9391540824249 66.9391540824249 1 1 0 [M+Cl]- 306.227 242 2.23105616436035 -0.740719081233007 0.58990291915429
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2278 M341T3604 M341.2T60.1 341.200012207031 341.200012207031 341.200012207031 60.0658623181646 60.0658623181646 60.0658623181646 1 0 1 22 2.56749613112685 1.4128660783131 0.335606762947049
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2279 M341T3546 M341.2T59.1 341.200012207031 341.200012207031 341.200012207031 59.1072147389838 59.1072147389838 59.1072147389838 1 0 1 44 1.37015342445924 1.51356693158757 0.325028478385965
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2280 M341T4124 M341.3T68.7 341.300018310547 341.300018310547 341.300018310547 68.7299484690851 68.7299484690851 68.7299484690851 1 0 1 1718 6.16409352201878 1.14317498395741 0.443436044532084
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2281 M341T3470 M341.3T57.8 341.300018310547 341.300018310547 341.300018310547 57.8326114422893 57.8326114422893 57.8326114422893 1 1 0 3102 Inf -1 0.5
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2282 M341T4172 M341.4T69.5 341.399993896484 341.399993896484 341.399993896484 69.5403852759756 69.5403852759756 69.5403852759756 1 1 0 4369 Inf -1 0.5
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2283 M342T4058 M341.9T67.6 341.899993896484 341.899993896484 341.899993896484 67.6251905069509 67.6251905069509 67.6251905069509 1 1 0 3421 Inf -1 0.5
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2284 M342T4143 M341.9T69 341.899993896484 341.899993896484 341.899993896484 69.0424107210837 69.0424107210837 69.0424107210837 1 1 0 4215 Inf -1 0.5
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2285 M342T4181 M342T69.7 342 342 342 69.6804626467477 69.6804626467477 69.6804626467477 1 0 1 6004 Inf 1 0.5
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2286 M342T3806 M342T63.4 342 342 342 63.4324541135946 63.4324541135946 63.4324541135946 1 1 0 108 4.41090942024194 -0.754151388223224 0.578892126056367
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2287 M342T4224 M342.1T70.4 342.100006103516 342.100006103516 342.100006103516 70.4041939341676 70.4041939341676 70.4041939341676 1 1 0 5421 Inf -1 0.5
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2288 M342T2720 M342.2T45.3 342.200012207031 342.200012207031 342.200012207031 45.3403059521213 45.2656928897738 45.4149190144688 2 0 2 49 21.966230957111 1.77593851460545 0.323804918543255
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2289 M342T3445 M342.2T57.4 342.200012207031 342.200012207031 342.200012207031 57.4192344633375 57.4192344633375 57.4192344633375 1 0 1 [M-H-HCNO]- 386.209 62 1.47934619916194 1.35061634290648 0.326237346638675
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2290 M342T2850 M342.2T47.5 342.200012207031 342.200012207031 342.200012207031 47.4938223199184 47.4938223199184 47.4938223199184 1 1 0 5770 1.50388807279024 -0.295700426318133 0.802695828986473
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2291 M342T2576 M342.2T42.9 342.200012207031 342.200012207031 342.200012207031 42.9374829099392 42.9374829099392 42.9374829099392 1 1 0 104 1.64377908218898 -0.334593952278515 0.775546772559258
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2292 M342T3635 M342.3T60.6 342.300018310547 342.300018310547 342.300018310547 60.590747655181 60.520959033894 60.660536276468 2 1 1 2847 2.22013056706153 -0.721370976045406 0.551434590200668
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2293 M342T3692 M342.3T61.5 342.300018310547 342.300018310547 342.300018310547 61.5377582431736 61.5377582431736 61.5377582431736 1 1 0 591 Inf -1 0.5
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2294 M342T3328 M342.3T55.5 342.300018310547 342.300018310547 342.300018310547 55.4585908784443 55.4585908784443 55.4585908784443 1 0 1 15 8.49454583197736 1.15042529625777 0.448647289569581
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2295 M342T2817 M342.3T46.9 342.300018310547 342.300018310547 342.300018310547 46.9460942488542 46.9460942488542 46.9460942488542 1 0 1 3317 Inf 4.06727017274176 0.153478377418065
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2296 M342T3038 M342.3T50.6 342.300018310547 342.300018310547 342.300018310547 50.6358552925949 50.6358552925949 50.6358552925949 1 0 1 3220 Inf 1 0.5
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2297 M342T2930 M342.3T48.8 342.300018310547 342.300018310547 342.300018310547 48.8327454465577 48.8327454465577 48.8327454465577 1 0 1 3625 Inf 1 0.5
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2298 M342T3154 M342.3T52.6 342.300018310547 342.300018310547 342.300018310547 52.5590605631177 52.5590605631177 52.5590605631177 1 1 0 3034 4.51492891592144 -1.2145760283006 0.404066391142422
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2299 M342T2970 M342.3T49.5 342.300018310547 342.300018310547 342.300018310547 49.4982749726645 49.4982749726645 49.4982749726645 1 0 1 3255 1.51811778240144 0.285012355079981 0.806059055082906
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2300 M342T4047 M342.4T67.4 342.399993896484 342.399993896484 342.399993896484 67.4467895790106 67.4467895790106 67.4467895790106 1 0 1 4112 4.30027281824373 0.747511336023516 0.581216142745068
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2301 M342T3181 M342.4T53 342.399993896484 342.399993896484 342.399993896484 53.0229941104091 53.0229941104091 53.0229941104091 1 0 1 2186 Inf 1 0.5
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2302 M343T4122 M342.9T68.7 342.899993896484 342.899993896484 342.899993896484 68.7075920019962 68.7075920019962 68.7075920019962 1 0 1 1719 Inf 1 0.5
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2303 M343T2682 M343T44.7 343 343 343 44.7072481413956 44.6872010390512 44.7613459684195 4 2 2 [38][M]- [M-H-C2N]- 382.006 [M-H-F2]- 382.006 6 1.14229033128922 -0.726925245485786 0.588709865511621
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2304 M343T3712 M343T61.9 343 343 343 61.8714547348474 61.8714547348474 61.8714547348474 1 1 0 1176 Inf -1 0.5
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2305 M343T2891 M343T48.2 343 343 343 48.1833795870331 48.1833795870331 48.1833795870331 1 1 0 [39][M]- [M-H-C2F6]- 482.005 95 2.7908041917961 -0.879604228353974 0.539996262392486
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2306 M343T3763 M343T62.7 343 343 343 62.7158215312295 62.7158215312295 62.7158215312295 1 1 0 977 2.49838012330009 -1.49431139095828 0.373571970697834
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2307 M343T3787 M343T63.1 343 343 343 63.1152759049516 63.1152759049516 63.1152759049516 1 1 0 117 2.9083753806909 -1.43799797546483 0.289158061231037
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2308 M343T2764 M343.1T46.1 343.100006103516 343.100006103516 343.100006103516 46.0644933068093 46.0644933068093 46.0644933068093 1 0 1 3820 1.28313647917279 0.264040219014482 0.819402695762221
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2309 M343T3266 M343.2T54.4 343.200012207031 343.200012207031 343.200012207031 54.4321559012603 54.4321559012603 54.4321559012603 1 1 0 85 8.92912570315018 -1.18683575952191 0.439035889124937
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2310 M343T3185 M343.2T53.1 343.200012207031 343.200012207031 343.200012207031 53.0774135353179 53.0774135353179 53.0774135353179 1 0 1 2187 Inf 1 0.5
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2311 M343T4172 M343.3T69.5 343.300018310547 343.300018310547 343.300018310547 69.5403852759756 69.5403852759756 69.5403852759756 1 1 0 115 1.85822586321807 -0.406700856297597 0.7337527349397
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2312 M344T4155 M343.5T69.3 343.5 343.5 343.5 69.2522229665417 69.2522229665417 69.2522229665417 1 1 0 6209 Inf -1 0.5
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2313 M344T4020 M343.9T67 343.899993896484 343.899993896484 343.899993896484 67.000147311071 67.000147311071 67.000147311071 1 0 1 5572 Inf 1 0.5
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2314 M344T2683 M344T44.7 344 344 344 44.7137845080072 44.70757669099 44.727118938791 4 2 2 [38][M+1]- 6 1.13355181392864 -0.60699017348046 0.644156144292546
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2315 M344T3386 M344T56.4 344 344 344 56.4399833479046 56.3888125818254 56.4911541139838 2 1 1 1556 1.13349240201067 -0.101107154806033 0.928865215105151
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2316 M344T2893 M344T48.2 344 344 344 48.2097870775546 48.2097870775546 48.2097870775546 1 1 0 [39][M+1]- 95 6.70381848039701 -1.0508615044184 0.482761013125627
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2317 M344T3532 M344T58.9 344 344 344 58.871709710258 58.871709710258 58.871709710258 1 0 1 1955 Inf 1 0.5
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2318 M344T3275 M344T54.6 344 344 344 54.5854122290371 54.5854122290371 54.5854122290371 1 1 0 5007 13.6602006483524 -2.6620463653636 0.211423233534846
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2319 M344T3131 M344.1T52.2 344.100006103516 344.100006103516 344.100006103516 52.1903188028485 52.1903188028485 52.1903188028485 1 0 1 4993 1.13844062570068 0.115146549124003 0.920354200137905
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2320 M344T2644 M344.1T44.1 344.100006103516 344.100006103516 344.100006103516 44.0665109372853 44.0665109372853 44.0665109372853 1 1 0 5654 1.18406721147154 -0.966827753569266 0.46616737516407
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2321 M344T2707 M344.1T45.1 344.100006103516 344.100006103516 344.100006103516 45.1160872895489 45.1160872895489 45.1160872895489 1 0 1 4867 4.11510920366878 1.36763594507916 0.398825793894455
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2322 M344T3158 M344.1T52.6 344.100006103516 344.100006103516 344.100006103516 52.6353514783596 52.6353514783596 52.6353514783596 1 0 1 [M-H-C7H6O2]- 467.135 10 2.6214082922864 0.609847812395204 0.636032187386518
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2323 M344T2760 M344.2T46 344.200012207031 344.200012207031 344.200012207031 45.9977012686162 45.9053134137803 46.0900891234521 2 1 1 176 2.7784807819278 0.684346501808384 0.602469540668906
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2324 M344T3688 M344.2T61.5 344.200012207031 344.200012207031 344.200012207031 61.4594537022362 61.4594537022362 61.4594537022362 1 1 0 [40][M]- [M-H]- 345.207 5 3.7199150166862 -1.81771436740614 0.319836719035475
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2325 M344T3236 M344.2T53.9 344.200012207031 344.200012207031 344.200012207031 53.9351760517888 53.9351760517888 53.9351760517888 1 1 0 2699 3.63862229237462 -2.140244703051 0.178241697653162
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2326 M344T3350 M344.2T55.8 344.200012207031 344.200012207031 344.200012207031 55.8306908977428 55.8306908977428 55.8306908977428 1 0 1 703 12.405656122882 0.969830416701648 0.509387971550514
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2327 M344T3571 M344.3T59.5 344.300018310547 344.300018310547 344.300018310547 59.5098593155534 59.5098593155534 59.5098593155534 1 0 1 1663 Inf 1 0.5
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2328 M344T3924 M344.4T65.4 344.399993896484 344.399993896484 344.399993896484 65.4040089091546 65.4040089091546 65.4040089091546 1 1 0 2950 1.28017450384494 -0.172473162181774 0.879757586830194
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2329 M345T2682 M345T44.7 345 345 345 44.694089156129 44.6807726835245 44.7137721930535 4 2 2 [38][M+2]- 6 1.1258425062644 0.277952656547898 0.821122869748294
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2330 M345T3101 M345T51.7 345 345 345 51.688977175605 51.688977175605 51.688977175605 1 0 1 3134 2.74377587595861 0.597116780838589 0.639697410590848
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2331 M345T3749 M345T62.5 345 345 345 62.479287436053 62.479287436053 62.479287436053 1 0 1 1028 Inf 1.64531193294728 0.347674561381568
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2332 M345T3818 M345T63.6 345 345 345 63.635902312864 63.635902312864 63.635902312864 1 0 1 2382 Inf 1 0.5
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2333 M345T3788 M345T63.1 345 345 345 63.1344882463539 63.1344882463539 63.1344882463539 1 0 1 4445 1.60960301565199 -0.549552787387741 0.65574470889549
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2334 M345T2592 M345T43.2 345 345 345 43.2007611378167 43.2007611378167 43.2007611378167 1 0 1 [M-H-C2H3]- 373.028 [M-H-HCN]- 373.028 61 1.10563982218722 -1.03376621814159 0.437752696790068
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2335 M345T3845 M345.2T64.1 345.200012207031 345.200012207031 345.200012207031 64.089458400012 64.0304006936283 64.1485161063958 2 0 2 21 2.04657356056071 0.755078255550326 0.539826013608561
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2336 M345T3684 M345.2T61.4 345.200012207031 345.200012207031 345.200012207031 61.4073249539177 61.4073249539177 61.4073249539177 1 1 0 [40][M+1]- 5 2.4116149466494 -1.00839892395933 0.494304596920712
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2337 M345T4090 M345.2T68.2 345.200012207031 345.200012207031 345.200012207031 68.1613971222857 68.1613971222857 68.1613971222857 1 0 1 4976 2.18844457674305 -0.529938272825274 0.683179217889965
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2338 M345T3384 M345.2T56.4 345.200012207031 345.200012207031 345.200012207031 56.3926753432711 56.3926753432711 56.3926753432711 1 1 0 [M-H-HF]- 366.209 25 4.13097591518911 -10.1706851417009 0.0571235168032325
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2339 M345T3256 M345.3T54.3 345.300018310547 345.300018310547 345.300018310547 54.2738637650085 54.2738637650085 54.2738637650085 1 1 0 [M+Cl]- 310.326 34 3.75467691015836 -0.70895183349237 0.595092080862498
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2340 M345T4116 M345.3T68.6 345.300018310547 345.300018310547 345.300018310547 68.5984869938564 68.5984869938564 68.5984869938564 1 1 0 2296 Inf -1 0.5
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2341 M345T3687 M345.3T61.5 345.300018310547 345.300018310547 345.300018310547 61.4531553385096 61.4531553385096 61.4531553385096 1 0 1 592 1.02954623072936 0.020586007074326 0.985446439446047
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2342 M345T3913 M345.4T65.2 345.399993896484 345.399993896484 345.399993896484 65.2208014817278 65.160436526486 65.2811664369697 2 1 1 5134 1.31422474419796 0.380608462984633 0.758588910546194
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2343 M346T3966 M345.6T66.1 345.600006103516 345.600006103516 345.600006103516 66.0922343927749 66.0922343927749 66.0922343927749 1 1 0 2024 Inf -1 0.5
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2344 M346T3332 M345.9T55.5 345.899993896484 345.899993896484 345.899993896484 55.5379857096822 55.5379857096822 55.5379857096822 1 0 1 [M-H-CH2O]- 376.91 15 Inf 1 0.5
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2345 M346T3908 M345.9T65.1 345.899993896484 345.899993896484 345.899993896484 65.1256297334466 65.1256297334466 65.1256297334466 1 1 0 4795 Inf -1.40084289571352 0.394681873664737
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2346 M346T4068 M345.9T67.8 345.899993896484 345.899993896484 345.899993896484 67.7995264269997 67.7995264269997 67.7995264269997 1 0 1 3877 3.67656728158278 0.892150330162419 0.511151119831877
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2347 M346T3867 M345.9T64.5 345.899993896484 345.899993896484 345.899993896484 64.4542135019796 64.4542135019796 64.4542135019796 1 1 0 1373 Inf -1 0.5
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2348 M346T3861 M346T64.3 346 346 346 64.3457320636606 64.3457320636606 64.3457320636606 1 0 1 1374 1.35472453650407 0.21066547274321 0.854145237410562
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2349 M346T2995 M346T49.9 346 346 346 49.9245463702824 49.9245463702824 49.9245463702824 1 1 0 1835 Inf -1 0.5
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2350 M346T3495 M346.1T58.3 346.100006103516 346.100006103516 346.100006103516 58.2529507086965 58.2529507086965 58.2970503672956 3 2 0 82 2.08119196123918 -3.32892244610665 0.0846560821845734
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2351 M346T3840 M346.1T64 346.100006103516 346.100006103516 346.100006103516 64.0041248466944 64.0041248466944 64.0041248466944 1 0 1 3162 1.27716976758396 0.321639046053081 0.779074433728693
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2352 M346T3499 M346.2T58.3 346.200012207031 346.200012207031 346.200012207031 58.3175819839292 58.3175819839292 58.3175819839292 1 0 1 [M-H]- 347.21 [M-H-CH6O3]- 413.233 76 11.9129121929656 2.44909243625312 0.246679373090627
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2353 M346T3482 M346.2T58 346.200012207031 346.200012207031 346.200012207031 58.0394091394203 58.0394091394203 58.0394091394203 1 1 0 31 1.16866158205253 0.170656729548857 0.881398368790329
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2354 M346T2518 M346.2T42 346.200012207031 346.200012207031 346.200012207031 41.9748778044834 41.9748778044834 41.9748778044834 1 0 1 5048 1.21267069621671 0.135303506536185 0.905157022093483
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2355 M346T2950 M346.2T49.2 346.200012207031 346.200012207031 346.200012207031 49.1689841076333 49.1689841076333 49.1689841076333 1 1 0 3175 Inf -32.7741429497576 0.0194184276584546
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2356 M346T2639 M346.2T44 346.200012207031 346.200012207031 346.200012207031 43.9881116789927 43.9881116789927 43.9881116789927 1 0 1 222 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2357 M346T3021 M346.3T50.3 346.300018310547 346.300018310547 346.300018310547 50.341801224388 50.341801224388 50.341801224388 1 1 0 2142 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2358 M346T3943 M346.3T65.7 346.300018310547 346.300018310547 346.300018310547 65.7215326151903 65.7215326151903 65.7215326151903 1 1 0 4143 1.07442669077958 -0.0614673787794421 0.958142224265085
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2359 M347T3936 M346.8T65.6 346.800018310547 346.800018310547 346.800018310547 65.6072513111386 65.6072513111386 65.6072513111386 1 0 1 4144 Inf 1 0.5
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2360 M347T4070 M346.8T67.8 346.800018310547 346.800018310547 346.800018310547 67.8253847751177 67.8253847751177 67.8253847751177 1 0 1 3878 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2361 M347T2771 M346.9T46.2 346.899993896484 346.899993896484 346.899993896484 46.1799191789721 46.0972733209993 46.2625650369449 2 1 1 5129 1.39560042283795 -0.247081932877861 0.833207727317582
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2362 M347T3133 M346.9T52.2 346.899993896484 346.899993896484 346.899993896484 52.2207817592859 52.2207817592859 52.2207817592859 1 1 0 144 Inf -1 0.5
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2363 M347T2614 M346.9T43.6 346.899993896484 346.899993896484 346.899993896484 43.5683547793471 43.5683547793471 43.5683547793471 1 1 0 5802 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2364 M347T4038 M346.9T67.3 346.899993896484 346.899993896484 346.899993896484 67.3077590567051 67.3077590567051 67.3077590567051 1 0 1 3764 Inf 1.60763073975288 0.354255461939161
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2365 M347T3585 M346.9T59.8 346.899993896484 346.899993896484 346.899993896484 59.7519583899682 59.7519583899682 59.7519583899682 1 0 1 1698 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2366 M347T4012 M346.9T66.9 346.899993896484 346.899993896484 346.899993896484 66.8598318633081 66.8598318633081 66.8598318633081 1 1 0 5214 Inf -2.60442151807199 0.23338792383097
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2367 M347T3343 M347T55.7 347 347 347 55.7242023013456 55.7242023013456 55.7242023013456 1 0 1 9 1.23022338900271 0.218454359682432 0.863042994002886
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2368 M347T3397 M347T56.6 347 347 347 56.6188161948654 56.6188161948654 56.6188161948654 1 0 1 478 Inf 1 0.5
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2369 M347T3783 M347T63.1 347 347 347 63.0507370196622 63.0507370196622 63.0507370196622 1 0 1 3672 4.10599755952448 0.734970513247605 0.585656034909679
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2370 M347T3216 M347T53.6 347 347 347 53.6035639807298 53.6035639807298 53.6035639807298 1 1 0 4290 3.11405995227911 -4.51096391113061 0.135802570496894
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2371 M347T3467 M347T57.8 347 347 347 57.780968787484 57.780968787484 57.780968787484 1 1 0 3103 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2372 M347T3498 M347.1T58.3 347.100006103516 347.100006103516 347.100006103516 58.2989384205059 58.279218107523 58.3941287848805 4 2 2 [M+Cl]- 312.127 76 1.70287983605257 3.06962889309572 0.101544434731289
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2373 M347T3286 M347.1T54.8 347.100006103516 347.100006103516 347.100006103516 54.7710736069409 54.7710736069409 54.7710736069409 1 1 0 3793 5.14113616633699 -6.5827541699609 0.095971025869102
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2374 M347T2855 M347.1T47.6 347.100006103516 347.100006103516 347.100006103516 47.5819289669518 47.5819289669518 47.5819289669518 1 1 0 [M-H]- 348.108 111 4.52572027850678 -0.969521244036461 0.509717318914533
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2375 M347T3493 M347.2T58.2 347.200012207031 347.200012207031 347.200012207031 58.2173847092622 58.1426691268062 58.2921002917181 2 1 1 1787 1.54525624319564 0.643689109520757 0.611099842715381
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2376 M347T2880 M347.2T48 347.200012207031 347.200012207031 347.200012207031 47.9992048810756 47.9992048810756 47.9992048810756 1 1 0 4729 2.37400412201846 -0.660417712707734 0.593332069975375
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2377 M347T2740 M347.2T45.7 347.200012207031 347.200012207031 347.200012207031 45.6593662294602 45.6593662294602 45.6593662294602 1 1 0 116 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2378 M347T4003 M347.2T66.7 347.200012207031 347.200012207031 347.200012207031 66.7158613723768 66.7158613723768 66.7158613723768 1 1 0 160 3.69800758008725 -1.46875209170354 0.298671318638552
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2379 M347T2963 M347.2T49.4 347.200012207031 347.200012207031 347.200012207031 49.3771322346223 49.3771322346223 49.3771322346223 1 1 0 3256 2.93577971707516 -0.624159277416029 0.628252577754264
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2380 M347T3982 M347.2T66.4 347.200012207031 347.200012207031 347.200012207031 66.3717058447934 66.3717058447934 66.3717058447934 1 0 1 [M+Cl]- 312.229 5539 Inf 8.25235587225072 0.0767697020568665
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2381 M347T2542 M347.2T42.4 347.200012207031 347.200012207031 347.200012207031 42.3685547793471 42.3685547793471 42.3685547793471 1 1 0 5159 2.09418282548476 -0.471490316683667 0.699042480124112
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2382 M347T3437 M347.3T57.3 347.300018310547 347.300018310547 347.300018310547 57.2915195942929 57.2915195942929 57.2915195942929 1 0 1 4890 2.28007218749108 0.514142056482407 0.677721321256727
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2383 M347T2744 M347.3T45.7 347.300018310547 347.300018310547 347.300018310547 45.7251221718692 45.7251221718692 45.7251221718692 1 0 1 4599 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2384 M347T3963 M347.3T66.1 347.300018310547 347.300018310547 347.300018310547 66.0579353422806 66.0579353422806 66.0579353422806 1 0 1 1984 2.35106823450385 1.15216712587122 0.388605094018775
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2385 M347T3153 M347.4T52.5 347.399993896484 347.399993896484 347.399993896484 52.5461102984952 52.5461102984952 52.5461102984952 1 0 1 3035 Inf 1 0.5
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2386 M347T3980 M347.4T66.3 347.399993896484 347.399993896484 347.399993896484 66.3305484080703 66.3305484080703 66.3305484080703 1 1 0 2025 Inf -1 0.5
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2387 M347T3943 M347.4T65.7 347.399993896484 347.399993896484 347.399993896484 65.7123885813693 65.7123885813693 65.7123885813693 1 0 1 4145 2.64445524807102 0.581652035990774 0.646446384583486
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2388 M348T3353 M347.8T55.9 347.800018310547 347.800018310547 347.800018310547 55.8780026880535 55.8780026880535 55.8780026880535 1 1 0 724 Inf -1 0.5
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2389 M348T4094 M347.8T68.2 347.800018310547 347.800018310547 347.800018310547 68.2389213595141 68.2389213595141 68.2389213595141 1 0 1 5095 Inf 1 0.5
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2390 M348T3833 M347.9T63.9 347.899993896484 347.899993896484 347.899993896484 63.8772288018497 63.8772288018497 63.8772288018497 1 1 0 3353 Inf -1 0.5
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2391 M348T3722 M347.9T62 347.899993896484 347.899993896484 347.899993896484 62.0272979346062 62.0272979346062 62.0272979346062 1 0 1 3440 Inf 1 0.5
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2392 M348T3183 M347.9T53 347.899993896484 347.899993896484 347.899993896484 53.0494677501524 53.0494677501524 53.0494677501524 1 0 1 2188 Inf 1 0.5
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2393 M348T2787 M347.9T46.4 347.899993896484 347.899993896484 347.899993896484 46.4484203110933 46.4484203110933 46.4484203110933 1 0 1 [M-H-H6O3]- 402.933 12 Inf 1.5977750794548 0.356013640333094
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2394 M348T3261 M348T54.3 348 348 348 54.3457617907021 54.3457617907021 54.3457617907021 1 1 0 3602 1.01322148272172 0.00928740187453969 0.993433085580624
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2395 M348T3861 M348T64.3 348 348 348 64.3431672115357 64.3431672115357 64.3431672115357 1 1 0 [M-H]- 349.007 21 11.9327628866732 -0.912996766896356 0.527231494985673
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2396 M348T3468 M348T57.8 348 348 348 57.8067831417668 57.8067831417668 57.8067831417668 1 1 0 3098 Inf -1 0.5
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2397 M348T3149 M348T52.5 348 348 348 52.480807721958 52.480807721958 52.480807721958 1 1 0 3052 Inf -3.55884900798726 0.174386859079321
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2398 M348T3083 M348T51.4 348 348 348 51.3885518689886 51.3885518689886 51.3885518689886 1 0 1 3517 1.17230679108333 1.17207110778869 0.367317164125702
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2399 M348T3809 M348T63.5 348 348 348 63.4898348905162 63.4898348905162 63.4898348905162 1 1 0 90 Inf -1.68520889146529 0.340942437369804
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lecorguille
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2400 M348T3051 M348T50.8 348 348 348 50.8428865873858 50.8428865873858 50.8428865873858 1 0 1 3488 Inf 1.30278289683068 0.416771080231373
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2401 M348T3216 M348T53.6 348 348 348 53.6036490709223 53.6036490709223 53.6036490709223 1 1 0 4314 1.67997571251449 -0.482802970348196 0.676918493202516
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2402 M348T2942 M348T49 348 348 348 49.0356376807688 49.0356376807688 49.0356376807688 1 0 1 2804 2.02726586223837 0.843675049366892 0.55372009172002
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2403 M348T3369 M348T56.2 348 348 348 56.1574713926049 56.1574713926049 56.1574713926049 1 1 0 5762 6.18626365357427 -0.827608468239307 0.554243955622909
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2404 M348T3423 M348.1T57 348.100006103516 348.100006103516 348.100006103516 57.0443965778128 57.0443965778128 57.0443965778128 2 1 0 11 5.8150328670865 -0.907381408309115 0.528834667026794
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2405 M348T3701 M348.1T61.7 348.100006103516 348.100006103516 348.100006103516 61.6872549806172 61.6872549806172 61.6872549806172 1 0 1 109 1.65440909194863 0.797755793061007 0.568135785680513
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2406 M348T3405 M348.1T56.7 348.100006103516 348.100006103516 348.100006103516 56.7490052029721 56.7490052029721 56.7490052029721 1 1 0 1318 7.99003791790122 -1.02593513782409 0.49063685545755
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2407 M348T3278 M348.1T54.6 348.100006103516 348.100006103516 348.100006103516 54.6385261317052 54.6385261317052 54.6385261317052 1 1 0 1212 6.86597330214526 -1.66420995504381 0.342350090045849
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2408 M348T3493 M348.2T58.2 348.200012207031 348.200012207031 348.200012207031 58.2199122659174 58.1464333812605 58.2666138953485 3 1 2 [M-H-C2F6]- 487.204 31 2.66515312804799 3.70253659872577 0.0887023359305115
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lecorguille
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2409 M348T4128 M348.2T68.8 348.200012207031 348.200012207031 348.200012207031 68.8074238019644 68.8074238019644 68.8074238019644 1 1 0 1484 Inf -1 0.5
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2410 M348T3288 M348.2T54.8 348.200012207031 348.200012207031 348.200012207031 54.7975339745882 54.7975339745882 54.7975339745882 1 1 0 2096 8.90952185403443 -14.3271691155227 0.0048685139667759
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2411 M348T3421 M348.2T57 348.200012207031 348.200012207031 348.200012207031 57.0100120381423 57.0100120381423 57.0100120381423 1 1 0 [M-2H+Na]- 327.214 11 15.2801253994829 -1.52715583445687 0.36906752626389
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2412 M348T4143 M348.2T69 348.200012207031 348.200012207031 348.200012207031 69.0492204926483 69.0492204926483 69.0492204926483 1 0 1 4216 1.91058690722682 0.422259023915613 0.725165271446544
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2413 M348T3720 M348.3T62 348.300018310547 348.300018310547 348.300018310547 62.0010732251575 62.0010732251575 62.0010732251575 1 0 1 3441 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2414 M348T3684 M348.3T61.4 348.300018310547 348.300018310547 348.300018310547 61.4011145245495 61.4011145245495 61.4011145245495 1 0 1 593 Inf 1 0.5
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2415 M348T3736 M348.3T62.3 348.300018310547 348.300018310547 348.300018310547 62.2670501867713 62.2670501867713 62.2670501867713 1 1 0 3538 5.92830455939674 -0.82535137152948 0.557556676447855
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2416 M348T3193 M348.3T53.2 348.300018310547 348.300018310547 348.300018310547 53.2112368992992 53.2112368992992 53.2112368992992 1 1 0 30 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2417 M348T3787 M348.3T63.1 348.300018310547 348.300018310547 348.300018310547 63.1182334600763 63.1182334600763 63.1182334600763 1 1 0 4453 1.03890514863284 0.0269802522209889 0.980928709130678
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2418 M348T4005 M348.5T66.8 348.5 348.5 348.5 66.7540323879587 66.7540323879587 66.7540323879587 1 1 0 5817 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2419 M349T4056 M348.9T67.6 348.899993896484 348.899993896484 348.899993896484 67.6044098080423 67.6044098080423 67.6044098080423 1 0 1 3422 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2420 M349T2857 M348.9T47.6 348.899993896484 348.899993896484 348.899993896484 47.6243643958564 47.6243643958564 47.6243643958564 1 1 0 4256 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2421 M349T2640 M348.9T44 348.899993896484 348.899993896484 348.899993896484 44.0013196179273 44.0013196179273 44.0013196179273 1 0 1 5666 2.29849310367866 0.669756400739922 0.621257344724431
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2422 M349T4038 M348.9T67.3 348.899993896484 348.899993896484 348.899993896484 67.3077590567051 67.3077590567051 67.3077590567051 1 0 1 3765 4.55100659916781 0.762087703167224 0.5761377873791
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2423 M349T3724 M349T62.1 349 349 349 62.0584679966206 62.0371588300029 62.0797771632384 2 0 2 3442 2.37704066262502 1.25446125876383 0.380085018178187
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2424 M349T4111 M349T68.5 349 349 349 68.5236887576381 68.5236887576381 68.5236887576381 1 0 1 2297 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2425 M349T3552 M349T59.2 349 349 349 59.1939723812421 59.1939723812421 59.1939723812421 1 1 0 2320 1.13912074859613 0.107121684813772 0.926887355447921
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2426 M349T3772 M349T62.9 349 349 349 62.8703040107568 62.8703040107568 62.8703040107568 1 0 1 978 1.78723036408932 0.836281908257315 0.525884466699541
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2427 M349T3382 M349T56.4 349 349 349 56.3628026112301 56.3628026112301 56.3628026112301 1 1 0 1557 4.18172121253282 -0.832253508675687 0.543255674375063
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2428 M349T4099 M349.2T68.3 349.200012207031 349.200012207031 349.200012207031 68.3164433438469 68.3164433438469 68.3164433438469 1 0 1 5096 1.21924514431377 0.431200922508252 0.738147844624348
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2429 M349T3406 M349.2T56.8 349.200012207031 349.200012207031 349.200012207031 56.774934472761 56.774934472761 56.774934472761 1 1 0 1319 12.663139168169 -1.61221512326889 0.346621713887349
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2430 M349T3667 M349.2T61.1 349.200012207031 349.200012207031 349.200012207031 61.1204224959539 61.1204224959539 61.1204224959539 1 0 1 2 1.46637370017108 0.401204154644021 0.749541317009619
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2431 M349T3358 M349.2T56 349.200012207031 349.200012207031 349.200012207031 55.9636597330772 55.9636597330772 55.9636597330772 1 0 1 725 2.90486228098668 0.648809733010319 0.629945651376239
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2432 M349T3511 M349.3T58.5 349.300018310547 349.300018310547 349.300018310547 58.5157019193259 58.5157019193259 58.5157019193259 1 1 0 119 3.2874166609366 -1.96594224105714 0.216377077442379
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2433 M349T3847 M349.3T64.1 349.300018310547 349.300018310547 349.300018310547 64.1128527458309 64.1128527458309 64.1128527458309 1 1 0 [M-H-C5H5N]- 429.337 21 1.15399243466751 -0.152725543847703 0.902899769462213
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2434 M350T2676 M349.9T44.6 349.899993896484 349.899993896484 349.899993896484 44.5946315510075 44.5817888056605 44.6074742963545 2 1 1 629 1.36407453514257 0.231819250049397 0.838917480266636
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2435 M350T3290 M349.9T54.8 349.899993896484 349.899993896484 349.899993896484 54.8282134948367 54.8282134948367 54.8282134948367 1 0 1 2107 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2436 M350T3506 M350T58.4 350 350 350 58.4295523368889 58.4295523368889 58.4295523368889 1 0 1 3371 2.69904045042506 0.620641837265471 0.64176919871691
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2437 M350T3539 M350T59 350 350 350 58.9864805332901 58.9864805332901 58.9864805332901 1 0 1 1956 1.2494325251882 0.185120612056772 0.877518974066691
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2438 M350T3976 M350T66.3 350 350 350 66.2643266359994 66.2643266359994 66.2643266359994 1 0 1 2026 Inf 1 0.5
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2439 M350T3349 M350T55.8 350 350 350 55.823183133314 55.823183133314 55.823183133314 1 0 1 726 2.69928957854984 0.628078582801454 0.64219695527224
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2440 M350T3215 M350T53.6 350 350 350 53.5773282247933 53.5773282247933 53.5773282247933 1 1 0 4315 5.30936817542082 -3.21915633147667 0.0859429097237081
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2441 M350T3400 M350T56.7 350 350 350 56.6702028061549 56.6702028061549 56.6702028061549 1 0 1 1320 1.25528403621597 -0.15906433500202 0.888871540469679
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2442 M350T3845 M350.1T64.1 350.100006103516 350.100006103516 350.100006103516 64.0829532534703 64.0829532534703 64.0829532534703 1 0 1 [M-H-C2H4]- 379.135 [M-H-C5H4]- 415.134 21 3.00761678335485 1.10415909855012 0.399500256042185
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2443 M350T3133 M350.1T52.2 350.100006103516 350.100006103516 350.100006103516 52.2207817592859 52.2207817592859 52.2207817592859 1 1 0 4987 1.6521071902272 -5.65622769241409 0.0354223325242247
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2444 M350T3662 M350.2T61 350.200012207031 350.200012207031 350.200012207031 61.0390083128148 60.9839356586278 61.0940809670018 2 1 1 2 1.25868922090484 0.266711513354327 0.831619230893796
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2445 M350T3484 M350.2T58.1 350.200012207031 350.200012207031 350.200012207031 58.0691763348732 58.0691763348732 58.0691763348732 1 0 1 [41][M]- 31 1.90229016027 1.01158650906001 0.478948860159285
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2446 M350T3619 M350.2T60.3 350.200012207031 350.200012207031 350.200012207031 60.3104497552185 60.3104497552185 60.3104497552185 1 1 0 2565 4.57895953315895 -2.53499776055998 0.200901970816845
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2447 M350T3138 M350.2T52.3 350.200012207031 350.200012207031 350.200012207031 52.3075948965977 52.3075948965977 52.3075948965977 1 0 1 3117 1.9209666163679 1.67465609391583 0.330986229231056
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2448 M350T3536 M350.3T58.9 350.300018310547 350.300018310547 350.300018310547 58.9359109844876 58.9359109844876 58.9359109844876 1 1 0 1957 4.68987847221967 -3.64021292168733 0.160370448005238
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2449 M350T3945 M350.3T65.7 350.300018310547 350.300018310547 350.300018310547 65.7483373156142 65.7483373156142 65.7483373156142 1 1 0 91 3.83074245086468 -0.714993830506179 0.59287272587513
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2450 M350T4104 M350.3T68.4 350.300018310547 350.300018310547 350.300018310547 68.3923634952238 68.3923634952238 68.3923634952238 1 0 1 288 Inf 1 0.5
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2451 M350T2906 M350.3T48.4 350.300018310547 350.300018310547 350.300018310547 48.4388023567418 48.4388023567418 48.4388023567418 1 0 1 3916 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2452 M350T3627 M350.3T60.4 350.300018310547 350.300018310547 350.300018310547 60.4455469845131 60.4455469845131 60.4455469845131 1 0 1 1610 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2453 M350T3739 M350.3T62.3 350.300018310547 350.300018310547 350.300018310547 62.3098733796491 62.3098733796491 62.3098733796491 1 1 0 4712 1.42585071716258 0.316494793029146 0.781896952255351
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2454 M350T2970 M350.3T49.5 350.300018310547 350.300018310547 350.300018310547 49.5051826072052 49.5051826072052 49.5051826072052 1 0 1 3257 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2455 M350T4071 M350.3T67.9 350.300018310547 350.300018310547 350.300018310547 67.8512413067894 67.8512413067894 67.8512413067894 1 0 1 3879 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2456 M350T3343 M350.4T55.7 350.399993896484 350.399993896484 350.399993896484 55.7242023013456 55.7242023013456 55.7242023013456 1 0 1 806 5.5745176849387 0.807719008245866 0.560747220007066
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2457 M350T3745 M350.4T62.4 350.399993896484 350.399993896484 350.399993896484 62.4217065074561 62.4217065074561 62.4217065074561 1 0 1 1048 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2458 M351T3523 M350.9T58.7 350.899993896484 350.899993896484 350.899993896484 58.7200143369047 58.7145324371275 58.7254962366818 2 2 0 395 Inf -2.28741496598635 0.262374810187282
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2459 M351T3757 M350.9T62.6 350.899993896484 350.899993896484 350.899993896484 62.621809282393 62.621809282393 62.621809282393 1 1 0 979 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2460 M351T2593 M350.9T43.2 350.899993896484 350.899993896484 350.899993896484 43.2243995766058 43.2243995766058 43.2243995766058 1 1 0 61 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2461 M351T3881 M351T64.7 351 351 351 64.6873613476025 64.6873613476025 64.6873613476025 1 0 1 4756 Inf 1 0.5
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lecorguille
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2462 M351T3861 M351T64.3 351 351 351 64.3431672115357 64.3431672115357 64.3431672115357 1 1 0 [M+Cl]- 316.029 [M-H]- 352.005 21 Inf -16.8394041628441 0.0377610154458135
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2463 M351T2779 M351T46.3 351 351 351 46.318339469395 46.318339469395 46.318339469395 1 0 1 112 1.80341098671322 -0.642604523662555 0.604520424988511
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2464 M351T2985 M351T49.7 351 351 351 49.7497491636474 49.7497491636474 49.7497491636474 1 1 0 4628 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2465 M351T3497 M351.1T58.3 351.100006103516 351.100006103516 351.100006103516 58.2836046458873 58.2529507086965 58.2970503672956 4 2 2 [M+HCOO]- 306.106 76 1.27063785830095 1.86599447899592 0.204286775816608
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2466 M351T3486 M351.2T58.1 351.200012207031 351.200012207031 351.200012207031 58.0952197061014 58.0952197061014 58.0952197061014 1 1 0 [41][M+1]- 1788 4.30956853507314 -0.845726876610286 0.553055292887144
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lecorguille
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2467 M351T2603 M351.2T43.4 351.200012207031 351.200012207031 351.200012207031 43.3833444711501 43.3833444711501 43.3833444711501 1 0 1 5244 Inf 6.19961579977532 0.101810057996456
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2468 M351T3037 M351.3T50.6 351.300018310547 351.300018310547 351.300018310547 50.6100010187586 50.6100010187586 50.6100010187586 1 0 1 3213 Inf 2.54909304208756 0.237998866110305
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2469 M351T2992 M351.3T49.9 351.300018310547 351.300018310547 351.300018310547 49.8747472861688 49.8747472861688 49.8747472861688 1 0 1 1836 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2470 M351T3546 M351.3T59.1 351.300018310547 351.300018310547 351.300018310547 59.0943143506839 59.0943143506839 59.0943143506839 1 1 0 2326 2.64829549176591 -0.630178918437129 0.627348373064335
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2471 M351T4069 M351.4T67.8 351.399993896484 351.399993896484 351.399993896484 67.8092446566765 67.8092446566765 67.8092446566765 1 1 0 3857 5.68296456006947 -0.811566809713119 0.559480469819732
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2472 M351T3888 M351.4T64.8 351.399993896484 351.399993896484 351.399993896484 64.7965447309627 64.7965447309627 64.7965447309627 1 1 0 2233 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2473 M352T2728 M351.9T45.5 351.899993896484 351.899993896484 351.899993896484 45.4732279826352 45.4732279826352 45.4732279826352 2 0 1 2467 3.42694852728901 0.867299294497304 0.531004028437889
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2474 M352T2644 M351.9T44.1 351.899993896484 351.899993896484 351.899993896484 44.0744270027957 44.0744270027957 44.0744270027957 1 1 0 193 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2475 M352T3116 M351.9T51.9 351.899993896484 351.899993896484 351.899993896484 51.9267528846444 51.9267528846444 51.9267528846444 1 0 1 5031 2.10735497210541 0.474733296418543 0.697378455088137
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2476 M352T4148 M351.9T69.1 351.899993896484 351.899993896484 351.899993896484 69.1280924811157 69.1280924811157 69.1280924811157 1 0 1 5626 1.84096233639892 0.401408638016797 0.736709538623622
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2477 M352T2565 M351.9T42.8 351.899993896484 351.899993896484 351.899993896484 42.7549162432725 42.7549162432725 42.7549162432725 1 1 0 223 1.7113931435768 -0.642214780947789 0.608088229753374
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2478 M352T3739 M352T62.3 352 352 352 62.3233894012569 62.3233894012569 62.3233894012569 1 0 1 4713 6.83195892444187 0.932488016401359 0.515926993208637
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2479 M352T3503 M352T58.4 352 352 352 58.3779645408911 58.3779645408911 58.3779645408911 1 0 1 3372 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2480 M352T3946 M352T65.8 352 352 352 65.7743683818552 65.7743683818552 65.7743683818552 1 1 0 3735 1.93385938792169 -0.428944323495467 0.721523789509243
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2481 M352T3493 M352.1T58.2 352.100006103516 352.100006103516 352.100006103516 58.2236548255302 58.168440428507 58.2411029863392 5 2 2 [M-H-NaOH]- 393.108 31 4.03901407060107 -1.19499668937898 0.44357089935272
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2482 M352T3203 M352.1T53.4 352.100006103516 352.100006103516 352.100006103516 53.376459305165 53.376459305165 53.376459305165 1 1 0 2173 17.7477733879873 -1.0581910303 0.481843191862706
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2483 M352T3289 M352.2T54.8 352.200012207031 352.200012207031 352.200012207031 54.8239789441948 54.8239789441948 54.8239789441948 1 1 0 2108 1.50568312798388 0.328708331268812 0.774263891141068
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2484 M352T3052 M352.2T50.9 352.200012207031 352.200012207031 352.200012207031 50.86379753893 50.86379753893 50.86379753893 1 1 0 3475 2.20606692547943 -0.613548475280009 0.614314140504846
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2485 M352T3605 M352.3T60.1 352.300018310547 352.300018310547 352.300018310547 60.07770686424 59.9936858027922 60.1617279256878 2 1 1 1450 2.85729941766536 0.613529701195758 0.632697885719333
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2486 M352T3966 M352.3T66.1 352.300018310547 352.300018310547 352.300018310547 66.0989974864615 66.0092618412701 66.1887331316529 2 1 1 36 1.26462767960698 0.220169898215456 0.84879103683697
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2487 M352T3085 M352.3T51.4 352.300018310547 352.300018310547 352.300018310547 51.4144654092303 51.4144654092303 51.4144654092303 1 1 0 3523 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2488 M352T3541 M352.3T59 352.300018310547 352.300018310547 352.300018310547 59.0150596340257 59.0150596340257 59.0150596340257 1 1 0 1958 20.6859720381453 -0.95054802076387 0.51554591287897
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2489 M352T3848 M352.3T64.1 352.300018310547 352.300018310547 352.300018310547 64.1355069343933 64.1355069343933 64.1355069343933 1 0 1 1375 6.93755829954063 0.847102110543773 0.547967367497491
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2490 M352T3988 M352.3T66.5 352.300018310547 352.300018310547 352.300018310547 66.4629316977324 66.4629316977324 66.4629316977324 1 1 0 4470 1.05105362475411 0.035190875021174 0.975130999468604
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2491 M352T3418 M352.3T57 352.300018310547 352.300018310547 352.300018310547 56.9708307071836 56.9708307071836 56.9708307071836 1 0 1 866 4.83544928421785 1.7331055208016 0.266745408379589
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2492 M352T4178 M352.3T69.6 352.300018310547 352.300018310547 352.300018310547 69.6339231408538 69.6339231408538 69.6339231408538 1 0 1 4387 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2493 M352T3836 M352.4T63.9 352.399993896484 352.399993896484 352.399993896484 63.9295238266734 63.9295238266734 63.9295238266734 1 1 0 3345 2.55873551875492 -0.567389885403893 0.652805440928831
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2494 M353T3091 M352.9T51.5 352.899993896484 352.899993896484 352.899993896484 51.519673894153 51.519673894153 51.519673894153 1 1 0 5362 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2495 M353T3489 M353.1T58.1 353.100006103516 353.100006103516 353.100006103516 58.1426691268062 58.1426691268062 58.1426691268062 1 1 0 [M-H-HC2N]- 393.108 31 1.18899417158677 -0.604400945805716 0.645466487261567
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2496 M353T4140 M353.1T69 353.100006103516 353.100006103516 353.100006103516 68.9966467944574 68.9966467944574 68.9966467944574 1 0 1 4217 1.47910074497124 0.495104528875333 0.670911697379948
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2497 M353T2537 M353.1T42.3 353.100006103516 353.100006103516 353.100006103516 42.2878611378167 42.2878611378167 42.2878611378167 1 0 1 234 1.65581277741313 -1.1058137718441 0.392133370386689
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2498 M353T2559 M353.1T42.7 353.100006103516 353.100006103516 353.100006103516 42.6530278044834 42.6530278044834 42.6530278044834 1 0 1 3072 1.37057016659584 -0.218418871356316 0.849014594847183
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2499 M353T3501 M353.2T58.3 353.200012207031 353.200012207031 353.200012207031 58.3488417608327 58.3488417608327 58.3488417608327 1 1 0 3373 2.36990683984523 -0.55955985092038 0.658519318048749
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2500 M353T2684 M353.2T44.7 353.200012207031 353.200012207031 353.200012207031 44.7402216334792 44.7402216334792 44.7402216334792 1 0 1 [M+Cl]- 318.233 6 1.28166150125433 -0.251988027578542 0.831746870718754
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2501 M353T3484 M353.2T58.1 353.200012207031 353.200012207031 353.200012207031 58.0688990556048 58.0688990556048 58.0688990556048 1 1 0 [M+Cl]- 318.229 31 1.6529358274937 -0.337977841977221 0.773514848053641
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2502 M353T3004 M353.2T50.1 353.200012207031 353.200012207031 353.200012207031 50.0595953435342 50.0595953435342 50.0595953435342 1 0 1 4088 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2503 M353T4108 M353.3T68.5 353.300018310547 353.300018310547 353.300018310547 68.4678619583106 68.4678619583106 68.4678619583106 1 1 0 2298 3.66114499577849 -0.701176323664824 0.597974241667427
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2504 M353T3611 M353.3T60.2 353.300018310547 353.300018310547 353.300018310547 60.1758107539694 60.1758107539694 60.1758107539694 1 1 0 2582 5.29459236186447 -2.21117038501926 0.184919083067604
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2505 M353T4059 M353.3T67.7 353.300018310547 353.300018310547 353.300018310547 67.65694615063 67.65694615063 67.65694615063 1 0 1 4695 1.7612379183773 0.659032208615214 0.628917435475874
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2506 M353T3265 M353.4T54.4 353.399993896484 353.399993896484 353.399993896484 54.4083566198248 54.4083566198248 54.4083566198248 1 0 1 3603 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2507 M353T3908 M353.4T65.1 353.399993896484 353.399993896484 353.399993896484 65.1341527397587 65.1341527397587 65.1341527397587 1 0 1 4825 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2508 M353T3356 M353.4T55.9 353.399993896484 353.399993896484 353.399993896484 55.9260812482431 55.9260812482431 55.9260812482431 1 0 1 727 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2509 M354T4168 M353.9T69.5 353.899993896484 353.899993896484 353.899993896484 69.4599575515281 69.4599575515281 69.4599575515281 1 1 0 5924 Inf -1 0.5
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2510 M354T3272 M354T54.5 354 354 354 54.5309742733905 54.5309742733905 54.5309742733905 1 0 1 5012 4.75912023525677 2.02622313060108 0.201865097034421
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2511 M354T3910 M354T65.2 354 354 354 65.1660796385041 65.1660796385041 65.1660796385041 1 1 0 4826 1.34427859919274 -0.255920635481155 0.840405169143596
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2512 M354T3973 M354T66.2 354 354 354 66.2246272614404 66.2246272614404 66.2246272614404 1 1 0 2027 Inf -1 0.5
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2513 M354T3617 M354.2T60.3 354.200012207031 354.200012207031 354.200012207031 60.2812902729688 60.2582419457586 60.304338600179 2 2 0 [42][M]- [M-H-C5H8O4]- 487.237 51 7.88629248265958 -9.54025345985108 0.0588188568595389
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2514 M354T2785 M354.2T46.4 354.200012207031 354.200012207031 354.200012207031 46.419141571537 46.419141571537 46.419141571537 1 1 0 12 5.50721791964445 -2.41754341094691 0.15902578560357
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2515 M354T4424 M354.2T73.7 354.200012207031 354.200012207031 354.200012207031 73.7298858483176 73.7298858483176 73.7298858483176 1 0 1 341 7.20547945205438 0.853040788742881 0.546071761243485
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2516 M354T3218 M354.3T53.6 354.300018310547 354.300018310547 354.300018310547 53.6274464109554 53.6045583738126 53.6503344480983 2 0 2 4316 Inf 3.03630728359524 0.202546285925983
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2517 M354T3705 M354.3T61.7 354.300018310547 354.300018310547 354.300018310547 61.7434911140765 61.7434911140765 61.7434911140765 1 1 0 1177 Inf -1 0.5
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2518 M354T4176 M354.3T69.6 354.300018310547 354.300018310547 354.300018310547 69.6081394901155 69.6081394901155 69.6081394901155 1 0 1 4388 15.3102794168653 2.01507264633653 0.285635799774512
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2519 M354T3413 M354.3T56.9 354.300018310547 354.300018310547 354.300018310547 56.8855316512942 56.8855316512942 56.8855316512942 1 1 0 867 Inf -1 0.5
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2520 M354T3079 M354.3T51.3 354.300018310547 354.300018310547 354.300018310547 51.318226607554 51.318226607554 51.318226607554 1 1 0 3524 Inf -1 0.5
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2521 M354T2586 M354.3T43.1 354.300018310547 354.300018310547 354.300018310547 43.0939829099392 43.0939829099392 43.0939829099392 1 1 0 2888 Inf -1 0.5
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2522 M354T3997 M354.4T66.6 354.399993896484 354.399993896484 354.399993896484 66.6217496555421 66.6217496555421 66.6217496555421 1 1 0 5439 Inf -1 0.5
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2523 M354T4177 M354.4T69.6 354.399993896484 354.399993896484 354.399993896484 69.6189121737951 69.6189121737951 69.6189121737951 1 1 0 115 Inf -1 0.5
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2524 M355T2725 M354.9T45.4 354.899993896484 354.899993896484 354.899993896484 45.4249382269616 45.4249382269616 45.4249382269616 1 1 0 2476 35.1085366653444 -0.971123048969048 0.509116457523439
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2525 M355T3492 M355T58.2 355 355 355 58.2004056272937 58.2004056272937 58.2004056272937 1 1 0 1789 1.21404802917803 -0.259908662380203 0.820377463113105
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2526 M355T3733 M355T62.2 355 355 355 62.2111367743379 62.2111367743379 62.2111367743379 1 0 1 3559 1.72492871387738 0.692452790347971 0.598761911685457
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2527 M355T2821 M355T47 355 355 355 47.0244416379157 47.0244416379157 47.0244416379157 1 0 1 3294 1.09742158526311 0.0827884975968207 0.944955288423168
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2528 M355T3404 M355T56.7 355 355 355 56.728532551764 56.728532551764 56.728532551764 1 1 0 1304 2.47972520305988 -1.15611405989673 0.43763080781886
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2529 M355T3563 M355.1T59.4 355.100006103516 355.100006103516 355.100006103516 59.3780029429172 59.3780029429172 59.3780029429172 1 0 1 1637 1.28207378908787 -0.626527518791987 0.597519216254204
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2530 M355T2881 M355.2T48 355.200012207031 355.200012207031 355.200012207031 48.010657199321 48.010657199321 48.010657199321 1 1 0 4730 1.27179326333327 -0.167995952548751 0.882794209631735
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2531 M355T2961 M355.2T49.3 355.200012207031 355.200012207031 355.200012207031 49.3433641921201 49.3433641921201 49.3433641921201 1 0 1 3232 2.24931984272103 0.507524955611613 0.680949149244093
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2532 M355T3618 M355.2T60.3 355.200012207031 355.200012207031 355.200012207031 60.304338600179 60.304338600179 60.304338600179 1 1 0 [42][M+1]- 51 4.69556516957181 -6.95063064880234 0.0891147801967374
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2533 M355T3997 M355.3T66.6 355.300018310547 355.300018310547 355.300018310547 66.6158691744904 66.515876976604 66.7158613723768 2 2 0 5435 Inf -9.01568627450941 0.070325001429373
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2534 M355T3731 M355.3T62.2 355.300018310547 355.300018310547 355.300018310547 62.1848474490816 62.1848474490816 62.1848474490816 1 0 1 3560 Inf 1 0.5
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2535 M355T3275 M355.3T54.6 355.300018310547 355.300018310547 355.300018310547 54.5854122290371 54.5854122290371 54.5854122290371 1 1 0 5013 Inf -1 0.5
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2536 M355T3795 M355.3T63.2 355.300018310547 355.300018310547 355.300018310547 63.2491480229281 63.2491480229281 63.2491480229281 1 1 0 5403 Inf -1 0.5
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2537 M355T4114 M355.3T68.6 355.300018310547 355.300018310547 355.300018310547 68.5748676214309 68.5748676214309 68.5748676214309 1 0 1 2299 Inf 3.6059978656345 0.172217023133181
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2538 M356T4061 M355.9T67.7 355.899993896484 355.899993896484 355.899993896484 67.6837150407965 67.6837150407965 67.6837150407965 1 1 0 4696 Inf -1 0.5
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2539 M356T3741 M356T62.3 356 356 356 62.3426838656814 62.3426838656814 62.3426838656814 1 0 1 1049 Inf 14.7273242160561 0.0431608670100527
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lecorguille
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2540 M356T3698 M356T61.6 356 356 356 61.6415130442269 61.6415130442269 61.6415130442269 1 1 0 4190 2.88985066889713 -0.618006381044752 0.63081740824119
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2541 M356T3331 M356T55.5 356 356 356 55.5136455924675 55.5136455924675 55.5136455924675 1 0 1 1101 3.80216348987355 2.61994726198914 0.154681759033659
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2542 M356T3374 M356T56.2 356 356 356 56.2340634673228 56.2340634673228 56.2340634673228 1 0 1 1558 Inf 1 0.5
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2543 M356T3055 M356T50.9 356 356 356 50.9160977155763 50.9160977155763 50.9160977155763 1 1 0 3489 5.46642585076428 -1.05751341400398 0.480775182246326
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2544 M356T3132 M356.1T52.2 356.100006103516 356.100006103516 356.100006103516 52.2018206940751 52.2018206940751 52.2018206940751 1 0 1 4994 1.1676306622508 -0.198581050529696 0.868857004738393
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2545 M356T3031 M356.1T50.5 356.100006103516 356.100006103516 356.100006103516 50.5243622315578 50.5243622315578 50.5243622315578 1 1 0 [2M-H+Cl]2- 339.11 39 8.05002791455605 -1.07184529346565 0.477929758220284
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2546 M356T3826 M356.2T63.8 356.200012207031 356.200012207031 356.200012207031 63.7661789574171 63.6885875191952 63.859632946724 4 2 2 [43][M]- 33 5.2176257811783 -2.48033117684177 0.215496578853402
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2547 M356T3857 M356.3T64.3 356.300018310547 356.300018310547 356.300018310547 64.2750158198166 64.2272387637046 64.3227928759286 2 1 1 1376 2.59213640700456 0.646778195676843 0.608492202563681
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2548 M356T4141 M356.3T69 356.300018310547 356.300018310547 356.300018310547 69.0162711786498 69.0162711786498 69.0162711786498 1 1 0 4218 4.52310966132655 -0.760547369419065 0.576670418221882
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2549 M356T3813 M356.3T63.5 356.300018310547 356.300018310547 356.300018310547 63.5456034048685 63.5456034048685 63.5456034048685 1 0 1 2383 2.48419076761559 0.638477123036183 0.609947075838414
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2550 M356T4005 M356.3T66.8 356.300018310547 356.300018310547 356.300018310547 66.7540323879587 66.7540323879587 66.7540323879587 1 1 0 5818 Inf -1 0.5
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2551 M356T3000 M356.3T50 356.300018310547 356.300018310547 356.300018310547 50.0068041107523 50.0068041107523 50.0068041107523 1 0 1 [M+Cl]- 321.336 1822 Inf 1 0.5
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2552 M356T3922 M356.3T65.4 356.300018310547 356.300018310547 356.300018310547 65.3707090592266 65.3707090592266 65.3707090592266 1 0 1 2992 1.4738458728195 0.416357341021668 0.745107378968005
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2553 M356T3343 M356.4T55.7 356.399993896484 356.399993896484 356.399993896484 55.7218214079965 55.7218214079965 55.7218214079965 1 1 0 807 Inf -1 0.5
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2554 M356T3972 M356.4T66.2 356.399993896484 356.399993896484 356.399993896484 66.1924745778391 66.1924745778391 66.1924745778391 1 1 0 2028 5.4308108661023 -0.813481632193369 0.563967133002875
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2555 M356T4110 M356.5T68.5 356.5 356.5 356.5 68.4939886959916 68.4939886959916 68.4939886959916 1 1 0 2300 Inf -1 0.5
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2556 M357T4088 M356.8T68.1 356.800018310547 356.800018310547 356.800018310547 68.128156441337 68.128156441337 68.128156441337 1 1 0 4959 Inf -1 0.5
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2557 M357T2695 M356.9T44.9 356.899993896484 356.899993896484 356.899993896484 44.9237515907537 44.9237515907537 44.9237515907537 1 1 0 5069 Inf -2.42413598536676 0.249078159058038
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2558 M357T2718 M356.9T45.3 356.899993896484 356.899993896484 356.899993896484 45.2957747944985 45.2957747944985 45.2957747944985 1 1 0 2477 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2559 M357T3897 M357T65 357 357 357 64.9548278510015 64.9548278510015 64.9548278510015 1 1 0 5754 Inf -6.48048864603838 0.0974676233200404
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2560 M357T3853 M357T64.2 357 357 357 64.2177693629018 64.2177693629018 64.2177693629018 1 1 0 1377 Inf -1 0.5
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2561 M357T3920 M357T65.3 357 357 357 65.3261941974717 65.3261941974717 65.3261941974717 1 0 1 2955 3.19243378401346 2.18344466859635 0.270199020142215
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2562 M357T3732 M357T62.2 357 357 357 62.193361175757 62.193361175757 62.193361175757 1 0 1 84 2.00049405385601 0.536647202658973 0.653515616937031
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2563 M357T3218 M357T53.6 357 357 357 53.6298143864331 53.6298143864331 53.6298143864331 1 1 0 4317 1.52854929212514 -0.289362563335365 0.803328494110888
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2564 M357T4197 M357T69.9 357 357 357 69.9435966366694 69.9435966366694 69.9435966366694 1 0 1 6161 Inf 1 0.5
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2565 M357T3190 M357T53.2 357 357 357 53.1590615169977 53.1590615169977 53.1590615169977 1 1 0 2189 Inf -1 0.5
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2566 M357T3283 M357T54.7 357 357 357 54.7140030166286 54.7140030166286 54.7140030166286 1 0 1 1242 1.63249099030595 -0.569149850548867 0.62765883897095
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2567 M357T3514 M357T58.6 357 357 357 58.5734461135727 58.5734461135727 58.5734461135727 1 0 1 364 2.30890729801298 0.599555113691821 0.626811162982522
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2568 M357T3465 M357.1T57.8 357.100006103516 357.100006103516 357.100006103516 57.7519773435038 57.7055867162183 57.8326114422893 3 2 1 1271 4.00212453732769 -2.64190255999962 0.154332526468076
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2569 M357T3497 M357.1T58.3 357.100006103516 357.100006103516 357.100006103516 58.2751090000565 58.2751090000565 58.2751090000565 1 0 1 82 1.13015224248309 -0.124997623176986 0.918529871208122
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2570 M357T3868 M357.1T64.5 357.100006103516 357.100006103516 357.100006103516 64.4631696110961 64.4631696110961 64.4631696110961 1 0 1 21 1.93518518910848 0.494626284065163 0.687976316319957
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2571 M357T3822 M357.2T63.7 357.200012207031 357.200012207031 357.200012207031 63.6942170087623 63.6942170087623 63.8381409060718 3 2 0 [43][M+1]- 33 4.51758598358791 -2.46030007313345 0.20832895156248
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2572 M357T3471 M357.2T57.8 357.200012207031 357.200012207031 357.200012207031 57.8478001160671 57.8115779640251 57.884022268109 2 0 2 3104 3.3414640168921 2.40741601444355 0.140310639086765
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2573 M357T2690 M357.2T44.8 357.200012207031 357.200012207031 357.200012207031 44.8314309752569 44.8314309752569 44.8314309752569 1 1 0 650 1.9619886109373 -0.761475509199533 0.53029039545522
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2574 M357T2521 M357.2T42 357.200012207031 357.200012207031 357.200012207031 42.0245995766058 42.0245995766058 42.0245995766058 1 1 0 5049 5.25347129405282 -1.05057650800104 0.467957637962605
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2575 M357T2589 M357.2T43.1 357.200012207031 357.200012207031 357.200012207031 43.1461495766058 43.1461495766058 43.1461495766058 1 1 0 2878 Inf -1.62503992045079 0.351187488816888
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2576 M357T3219 M357.2T53.7 357.200012207031 357.200012207031 357.200012207031 53.6543301787004 53.6543301787004 53.6543301787004 1 1 0 4283 Inf -1.17748889834286 0.448223068873697
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2577 M357T3723 M357.3T62.1 357.300018310547 357.300018310547 357.300018310547 62.0578316825142 62.0578316825142 62.0578316825142 1 1 0 3443 Inf -2915.61722357943 0.000218348191338702
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2578 M357T3815 M357.3T63.6 357.300018310547 357.300018310547 357.300018310547 63.5831926317501 63.5831926317501 63.5831926317501 1 0 1 2384 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2579 M357T2760 M357.4T46 357.399993896484 357.399993896484 357.399993896484 45.998933434833 45.998933434833 45.998933434833 1 0 1 5491 Inf 1 0.5
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2580 M357T4460 M357.4T74.3 357.399993896484 357.399993896484 357.399993896484 74.3297858483176 74.3297858483176 74.3297858483176 1 0 1 335 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2581 M357T3519 M357.4T58.7 357.399993896484 357.399993896484 357.399993896484 58.6505503983225 58.6505503983225 58.6505503983225 1 0 1 361 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2582 M358T2525 M357.8T42.1 357.800018310547 357.800018310547 357.800018310547 42.0792111378167 42.0792111378167 42.0792111378167 1 0 1 5050 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2583 M358T3286 M357.8T54.8 357.800018310547 357.800018310547 357.800018310547 54.766452695745 54.766452695745 54.766452695745 1 0 1 3794 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2584 M358T3313 M357.9T55.2 357.899993896484 357.899993896484 357.899993896484 55.2237562221118 55.2237562221118 55.2237562221118 1 1 0 503 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2585 M358T4056 M357.9T67.6 357.899993896484 357.899993896484 357.899993896484 67.6044098080423 67.6044098080423 67.6044098080423 1 0 1 3423 Inf 1.67959886150133 0.341874816123143
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2586 M358T2654 M357.9T44.2 357.899993896484 357.899993896484 357.899993896484 44.2387925228872 44.2387925228872 44.2387925228872 1 0 1 5843 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2587 M358T2854 M357.9T47.6 357.899993896484 357.899993896484 357.899993896484 47.5723129114763 47.5723129114763 47.5723129114763 1 1 0 4257 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2588 M358T4007 M357.9T66.8 357.899993896484 357.899993896484 357.899993896484 66.7899254704249 66.7899254704249 66.7899254704249 1 0 1 5215 2.25494156700603 0.508746840937055 0.680350904835268
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2589 M358T3692 M358T61.5 358 358 358 61.5406969583524 61.5406969583524 61.5406969583524 1 0 1 594 2.5429390306544 0.83933318046075 0.502004179619042
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2590 M358T3317 M358T55.3 358 358 358 55.281978863019 55.281978863019 55.281978863019 1 0 1 529 Inf 1 0.5
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2591 M358T3290 M358T54.8 358 358 358 54.8284545631222 54.8284545631222 54.8284545631222 1 1 0 2109 2.81736371500864 -1.47645662353065 0.289731397919792
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2592 M358T3749 M358T62.5 358 358 358 62.479287436053 62.479287436053 62.479287436053 1 0 1 1037 11.8834464166721 0.912623731001813 0.527347650899265
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2593 M358T4119 M358T68.6 358 358 358 68.6486319434924 68.6486319434924 68.6486319434924 1 1 0 4555 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2594 M358T2776 M358.1T46.3 358.100006103516 358.100006103516 358.100006103516 46.2666163905599 46.2445319224406 46.2887008586791 2 1 1 5132 1.14829759874532 0.266927531235913 0.820940055789417
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2595 M358T3352 M358.2T55.9 358.200012207031 358.200012207031 358.200012207031 55.8735923345796 55.8735923345796 55.8735923345796 1 1 0 7 1.82914015807072 -0.896397223373873 0.525259512298629
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2596 M358T3008 M358.2T50.1 358.200012207031 358.200012207031 358.200012207031 50.1387276071103 50.1387276071103 50.1387276071103 1 0 1 37 1.82534377199066 0.652608002730989 0.631875301985269
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2597 M358T3832 M358.2T63.9 358.200012207031 358.200012207031 358.200012207031 63.8649299348912 63.8649299348912 63.8649299348912 1 1 0 3354 5.70687189414352 -1.25957817941333 0.422309356080053
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2598 M358T2700 M358.3T45 358.300018310547 358.300018310547 358.300018310547 45.0015653276679 45.0015653276679 45.0015653276679 1 1 0 4868 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2599 M358T3822 M358.3T63.7 358.300018310547 358.300018310547 358.300018310547 63.6942170087623 63.6942170087623 63.6942170087623 1 1 0 33 12.6518681428472 -0.918096951702388 0.525643950942037
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2600 M358T3959 M358.3T66 358.300018310547 358.300018310547 358.300018310547 65.9794849294418 65.9794849294418 65.9794849294418 1 0 1 173 1.19067840782278 -0.189001022018701 0.880259641887894
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2601 M359T4121 M358.9T68.7 358.899993896484 358.899993896484 358.899993896484 68.6813180349399 68.6813180349399 68.6813180349399 1 0 1 1720 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2602 M359T4144 M358.9T69.1 358.899993896484 358.899993896484 358.899993896484 69.0686510330055 69.0686510330055 69.0686510330055 1 1 0 5829 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2603 M359T2924 M358.9T48.7 358.899993896484 358.899993896484 358.899993896484 48.7280350565451 48.7280350565451 48.7280350565451 1 1 0 [M-H-C3H2O3]- 445.911 60 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2604 M359T3962 M358.9T66 358.899993896484 358.899993896484 358.899993896484 66.0354355762572 66.0354355762572 66.0354355762572 1 1 0 6132 6.41237077740735 -1.08053482810798 0.464333509683999
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2605 M359T3500 M359T58.3 359 359 359 58.3375040361918 58.279218107523 58.3686104898001 4 2 2 [M-H-C6H8O6]- 536.034 76 1.70962331393051 1.40076676248778 0.356593176880365
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2606 M359T3221 M359T53.7 359 359 359 53.6836963648547 53.6836963648547 53.6836963648547 1 0 1 4318 3.12642677889728 -0.86241168876221 0.512303371025185
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2607 M359T3732 M359.1T62.2 359.100006103516 359.100006103516 359.100006103516 62.206314950523 62.206314950523 62.206314950523 1 1 0 3561 2.79187295785124 0.803594186764491 0.530673108335361
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2608 M359T3712 M359.2T61.9 359.200012207031 359.200012207031 359.200012207031 61.8612280924382 61.7394357187606 61.9850414109447 4 2 2 17 1.02154726652486 0.0527219439691536 0.964283990382539
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2609 M359T2644 M359.2T44.1 359.200012207031 359.200012207031 359.200012207031 44.0744270027957 44.0744270027957 44.0744270027957 1 1 0 5652 1.02777893156644 0.0193717645346255 0.986304547689281
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2610 M359T2722 M359.2T45.4 359.200012207031 359.200012207031 359.200012207031 45.3614961692949 45.3614961692949 45.3614961692949 1 0 1 2478 2.29338788160569 -0.516957125827795 0.676357012638615
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2611 M359T2755 M359.2T45.9 359.200012207031 359.200012207031 359.200012207031 45.9248810831467 45.9248810831467 45.9248810831467 1 0 1 218 1.59762232010143 -0.317077961288047 0.786170119076937
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2612 M359T3377 M359.3T56.3 359.300018310547 359.300018310547 359.300018310547 56.2858378510571 56.2858378510571 56.2858378510571 1 1 0 1559 3.12404396630169 -0.647536741805471 0.618712073269384
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2613 M359T3363 M359.3T56 359.300018310547 359.300018310547 359.300018310547 56.0434326305456 56.0434326305456 56.0434326305456 1 0 1 4655 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2614 M359T4022 M359.3T67 359.300018310547 359.300018310547 359.300018310547 67.0264238414418 67.0264238414418 67.0264238414418 1 0 1 5573 15.0739322108043 3.11431672384578 0.17880104926518
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2615 M359T4047 M359.3T67.4 359.300018310547 359.300018310547 359.300018310547 67.4467895790106 67.4467895790106 67.4467895790106 1 0 1 4113 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2616 M359T3182 M359.3T53 359.300018310547 359.300018310547 359.300018310547 53.0253890511655 53.0253890511655 53.0253890511655 1 0 1 2190 1.0880946221314 -0.0596112269357299 0.957919922022261
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2617 M359T3158 M359.3T52.6 359.300018310547 359.300018310547 359.300018310547 52.6353514783596 52.6353514783596 52.6353514783596 1 0 1 830 5.92659830126271 0.819682805741469 0.556822431813777
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2618 M359T3420 M359.3T57 359.300018310547 359.300018310547 359.300018310547 56.9971723429051 56.9971723429051 56.9971723429051 1 0 1 868 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2619 M359T4124 M359.4T68.7 359.399993896484 359.399993896484 359.399993896484 68.7338667416034 68.7338667416034 68.7338667416034 1 0 1 1721 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2620 M360T2632 M359.9T43.9 359.899993896484 359.899993896484 359.899993896484 43.8693976674685 43.8693976674685 43.8693976674685 1 0 1 2644 2.07659420851572 0.467103425338039 0.70130468445736
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2621 M360T3962 M359.9T66 359.899993896484 359.899993896484 359.899993896484 66.0277960558264 66.0277960558264 66.0277960558264 1 0 1 6133 1.01752859085065 0.0122864357330026 0.991312804062171
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2622 M360T2689 M360T44.8 360 360 360 44.8195676671722 44.727118938791 44.8724460333738 4 2 1 [44][M]- [M-H-CH4]- 377.03 6 1.09435500593051 -0.297363210767723 0.815985966229141
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2623 M360T2661 M360T44.3 360 360 360 44.344331129807 44.344331129807 44.344331129807 1 0 1 [M-H-CH4O2]- 409.03 42 1.17865687454294 2.77222272821043 0.21955905937779
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2624 M360T3936 M360T65.6 360 360 360 65.6072513111386 65.6072513111386 65.6072513111386 1 0 1 4146 6.50629797471652 15.9329222961469 0.0111905559760674
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2625 M360T3363 M360T56 360 360 360 56.0434326305456 56.0434326305456 56.0434326305456 1 0 1 4656 1.91109062523803 0.649445877569806 0.621630318614504
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2626 M360T2595 M360.1T43.3 360.100006103516 360.100006103516 360.100006103516 43.2529278044834 43.2529278044834 43.2529278044834 1 0 1 [M-H-CO]- 389.106 61 1.18659243754331 0.14390999783858 0.903774268947537
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2627 M360T3269 M360.2T54.5 360.200012207031 360.200012207031 360.200012207031 54.4848733423112 54.4848733423112 54.4848733423112 1 1 0 5470 10.9949706577168 -2.28884760272234 0.241956747769387
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2628 M360T4128 M360.2T68.8 360.200012207031 360.200012207031 360.200012207031 68.8060999649748 68.8060999649748 68.8060999649748 1 1 0 23 2.17348491896695 -0.755564150753975 0.583175502840299
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2629 M360T3531 M360.2T58.8 360.200012207031 360.200012207031 360.200012207031 58.8468372471634 58.8468372471634 58.8468372471634 1 1 0 1959 7.54511204875908 -3.88590031535474 0.0688138258842632
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2630 M360T3003 M360.2T50 360.200012207031 360.200012207031 360.200012207031 50.041925041534 50.041925041534 50.041925041534 1 0 1 4089 Inf 1 0.5
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2631 M360T4151 M360.3T69.2 360.300018310547 360.300018310547 360.300018310547 69.1806808927375 69.1806808927375 69.1806808927375 1 0 1 6042 Inf 1 0.5
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2632 M360T3393 M360.3T56.5 360.300018310547 360.300018310547 360.300018310547 56.5471512068392 56.5471512068392 56.5471512068392 1 1 0 479 5.62699489282812 -0.809600018069749 0.560127423560331
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2633 M360T3374 M360.3T56.2 360.300018310547 360.300018310547 360.300018310547 56.2294767463462 56.2294767463462 56.2294767463462 1 0 1 1560 Inf 1 0.5
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2634 M360T3161 M360.3T52.7 360.300018310547 360.300018310547 360.300018310547 52.6896389001186 52.6896389001186 52.6896389001186 1 1 0 10 Inf -1 0.5
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2635 M361T2931 M360.9T48.9 360.899993896484 360.899993896484 360.899993896484 48.8574872681435 48.8574872681435 48.8574872681435 1 1 0 86 Inf -1 0.5
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2636 M361T3758 M360.9T62.6 360.899993896484 360.899993896484 360.899993896484 62.6326805698188 62.6326805698188 62.6326805698188 1 0 1 980 Inf 1 0.5
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2637 M361T3889 M361T64.8 361 361 361 64.8140131153967 64.8140131153967 64.8140131153967 1 1 0 2234 Inf -1 0.5
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2638 M361T2688 M361T44.8 361 361 361 44.8054099315593 44.8054099315593 44.8054099315593 1 1 0 [44][M+1]- 6 2.31914093677903 -1.54243191321711 0.36617180118399
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2639 M361T3500 M361T58.3 361 361 361 58.3317289697945 58.3317289697945 58.3317289697945 1 1 0 3374 Inf -43.9400119962222 0.0144858835321275
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2640 M361T3875 M361T64.6 361 361 361 64.582236003439 64.582236003439 64.582236003439 1 0 1 2741 Inf 1 0.5
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2641 M361T3429 M361T57.1 361 361 361 57.14178766703 57.14178766703 57.14178766703 1 1 0 5264 Inf -1.86841539027368 0.312847374314966
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2642 M361T2961 M361T49.4 361 361 361 49.35109707572 49.35109707572 49.35109707572 1 1 0 3235 128.989193828452 -1.04893791851322 0.48477903320825
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2643 M361T3538 M361T59 361 361 361 58.9605315141229 58.9605315141229 58.9605315141229 1 0 1 1960 Inf 3.4487268411309 0.179668386215665
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2644 M361T3467 M361T57.8 361 361 361 57.7784791277751 57.7784791277751 57.7784791277751 1 1 0 3105 4.10148011509076 -1.3511794158048 0.349970303928905
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2645 M361T3171 M361.1T52.8 361.100006103516 361.100006103516 361.100006103516 52.843347304496 52.7846349827584 52.9504769106724 3 1 2 757 1.32460261516529 0.961251932642169 0.509670891370346
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2646 M361T3149 M361.1T52.5 361.100006103516 361.100006103516 361.100006103516 52.4788532421081 52.2798926419632 52.480807721958 3 2 1 3053 2.04106709503539 -2.36114998709695 0.145652658953173
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2647 M361T2686 M361.1T44.8 361.100006103516 361.100006103516 361.100006103516 44.7666270534986 44.7402216334792 44.793032473518 2 1 1 6 1.82332356226485 1.13379029277156 0.459282727701859
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2648 M361T3853 M361.1T64.2 361.100006103516 361.100006103516 361.100006103516 64.2143394697321 64.2143394697321 64.2143394697321 1 0 1 [45][M]- [M-H-NH3]- 379.135 21 1.38640315399112 1.21806509992372 0.353098791497675
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2649 M361T2864 M361.1T47.7 361.100006103516 361.100006103516 361.100006103516 47.7276981979435 47.7276981979435 47.7276981979435 1 1 0 3643 1.02452621155883 0.0198599678042406 0.986111124252017
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2650 M361T4206 M361.1T70.1 361.100006103516 361.100006103516 361.100006103516 70.1014782236751 70.1014782236751 70.1014782236751 1 0 1 4929 1.01941860391579 0.0571425547120132 0.96123836585659
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2651 M361T3160 M361.2T52.7 361.200012207031 361.200012207031 361.200012207031 52.6624527672234 52.6613618021329 52.663543732314 2 1 1 10 1.01519485908353 -0.0184150370584192 0.987330708886069
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2652 M361T2826 M361.2T47.1 361.200012207031 361.200012207031 361.200012207031 47.0962298327086 47.0962298327086 47.0962298327086 1 1 0 4577 1.70464598673298 -0.396003085399168 0.751842839725208
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2653 M361T4111 M361.2T68.5 361.200012207031 361.200012207031 361.200012207031 68.5174902467128 68.5174902467128 68.5174902467128 1 1 0 2301 4.08470073583915 -0.826143097866359 0.544980677248987
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2654 M361T3331 M361.2T55.5 361.200012207031 361.200012207031 361.200012207031 55.5127172407738 55.5127172407738 55.5127172407738 1 1 0 1102 2.02179897269187 -0.626312610620241 0.631110329056911
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2655 M361T3959 M361.2T66 361.200012207031 361.200012207031 361.200012207031 65.9794849294418 65.9794849294418 65.9794849294418 1 0 1 5455 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2656 M361T3791 M361.2T63.2 361.200012207031 361.200012207031 361.200012207031 63.1807627943582 63.1807627943582 63.1807627943582 1 0 1 4446 3.73702744233556 0.780965330868034 0.576276801813594
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2657 M361T3537 M361.3T59 361.300018310547 361.300018310547 361.300018310547 58.950156291062 58.950156291062 58.950156291062 1 0 1 1961 2.39840957311252 0.686648593714442 0.579171053460584
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2658 M361T3987 M361.3T66.5 361.300018310547 361.300018310547 361.300018310547 66.454173126163 66.454173126163 66.454173126163 1 1 0 4471 5.28466517287381 -1.44139565804818 0.349742903803356
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2659 M361T3967 M361.3T66.1 361.300018310547 361.300018310547 361.300018310547 66.1139558526 66.1139558526 66.1139558526 1 1 0 2029 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2660 M361T3611 M361.3T60.2 361.300018310547 361.300018310547 361.300018310547 60.1796988294783 60.1796988294783 60.1796988294783 1 1 0 2583 11.437285806619 -0.909098443022802 0.528445681565081
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2661 M362T4141 M361.9T69 361.899993896484 361.899993896484 361.899993896484 69.0162711786498 69.0162711786498 69.0162711786498 1 1 0 110 5.39471707155698 -1.19097164648193 0.423167872274566
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2662 M362T2697 M362T45 362 362 362 44.951771523813 44.9515881915268 44.9519548560992 2 0 2 148 1.25976282454156 1.03868735305823 0.409593882314434
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lecorguille
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2663 M362T4096 M362T68.3 362 362 362 68.2610316620453 68.2610316620453 68.2610316620453 1 0 1 5097 1.14504710009778 -0.121156830001586 0.91614405681076
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2664 M362T3723 M362T62.1 362 362 362 62.0535326688517 62.0535326688517 62.0535326688517 1 0 1 3434 1.96486398134267 -0.437640103018924 0.716831194120305
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lecorguille
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2665 M362T3550 M362T59.2 362 362 362 59.1736602755019 59.1736602755019 59.1736602755019 1 1 0 2339 5.08239200642863 -0.788131406925233 0.567266442476368
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2666 M362T3823_1 M362T63.7_1 362 362 362 63.7203738266737 63.7203738266737 63.7203738266737 1 1 0 1852 2.19280018691664 -0.494926219939969 0.687175975778664
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2667 M362T2684 M362.1T44.7 362.100006103516 362.100006103516 362.100006103516 44.727118938791 44.6873773440001 44.7613459684195 3 1 2 [M-H]- 363.113 6 1.44810899666653 -0.623450207109212 0.596669675208727
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2668 M362T3854 M362.1T64.2 362.100006103516 362.100006103516 362.100006103516 64.2406174984354 64.2406174984354 64.2406174984354 1 0 1 [45][M+1]- 21 1.0977382519083 -0.0831713215442708 0.942148506010036
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2669 M362T3154 M362.1T52.6 362.100006103516 362.100006103516 362.100006103516 52.5590605631177 52.5590605631177 52.5590605631177 1 1 0 3029 1.39304917123602 -1.85090458600702 0.291396128180755
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2670 M362T4113 M362.2T68.5 362.200012207031 362.200012207031 362.200012207031 68.5437143492201 68.5437143492201 68.5437143492201 1 1 0 [M-H-C3H2]- 401.21 [M-H-C2N]- 401.21 [M-H-F2]- 401.21 43 1.81253584164557 -0.49776478580512 0.688463735481202
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2671 M362T3845 M362.2T64.1 362.200012207031 362.200012207031 362.200012207031 64.0829532534703 64.0829532534703 64.0829532534703 1 0 1 [M-H-C2H5Cl]- 427.212 21 1.40311992909065 0.461420047898077 0.719304519257327
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2672 M362T2845 M362.2T47.4 362.200012207031 362.200012207031 362.200012207031 47.4178286246612 47.4178286246612 47.4178286246612 1 0 1 [M+Cl]- 327.233 181 42.6495288360183 1.120578708076 0.463630242307135
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2673 M362T4164 M362.2T69.4 362.200012207031 362.200012207031 362.200012207031 69.407772451816 69.407772451816 69.407772451816 1 1 0 285 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2674 M362T2954 M362.2T49.2 362.200012207031 362.200012207031 362.200012207031 49.240356448294 49.240356448294 49.240356448294 1 0 1 3184 14.9775949692411 0.931160473360563 0.521580352298461
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2675 M362T3484 M362.3T58.1 362.300018310547 362.300018310547 362.300018310547 58.0688990556048 58.0688990556048 58.0688990556048 1 1 0 1790 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2676 M362T4108 M362.3T68.5 362.300018310547 362.300018310547 362.300018310547 68.4678619583106 68.4678619583106 68.4678619583106 1 1 0 2302 2.39991594460474 -0.538445277787648 0.666116973687176
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2677 M362T3648 M362.3T60.8 362.300018310547 362.300018310547 362.300018310547 60.8034663219623 60.8034663219623 60.8034663219623 1 0 1 1534 Inf 2.59900424292819 0.233831840314188
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2678 M362T3581 M362.3T59.7 362.300018310547 362.300018310547 362.300018310547 59.6766136937736 59.6766136937736 59.6766136937736 1 1 0 1664 4.7461874954857 -0.772347479912105 0.572613323174794
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2679 M362T2805 M362.3T46.7 362.300018310547 362.300018310547 362.300018310547 46.7427561774611 46.7427561774611 46.7427561774611 1 0 1 5183 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2680 M362T3843 M362.3T64 362.300018310547 362.300018310547 362.300018310547 64.0435005355467 64.0435005355467 64.0435005355467 1 0 1 [M-H-CH6O3]- 429.337 21 2.99747633736991 0.808231688845193 0.563204969535687
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2681 M362T3394 M362.3T56.6 362.300018310547 362.300018310547 362.300018310547 56.5744464204614 56.5744464204614 56.5744464204614 1 0 1 502 5.68187621664636 0.820605943087116 0.56070965170295
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2682 M362T3456 M362.3T57.6 362.300018310547 362.300018310547 362.300018310547 57.592710737334 57.592710737334 57.592710737334 1 1 0 19 2.24163318834299 -0.79813067687132 0.545698696637655
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2683 M362T3823_2 M362.4T63.7_2 362.399993896484 362.399993896484 362.399993896484 63.7203738266737 63.7203738266737 63.7203738266737 1 1 0 1881 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2684 M363T2605 M362.9T43.4 362.899993896484 362.899993896484 362.899993896484 43.4094105113098 43.3075214460137 43.5112995766058 2 2 0 5245 Inf -2.33108480152729 0.257984420865679
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2685 M363T2753 M362.9T45.9 362.899993896484 362.899993896484 362.899993896484 45.8792931886908 45.8792931886908 45.8792931886908 1 1 0 114 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2686 M363T3890 M363T64.8 363 363 363 64.8295865475032 64.8295865475032 64.8295865475032 1 0 1 2235 3.96336384931744 0.724969034638127 0.589246318245059
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2687 M363T2867 M363T47.8 363 363 363 47.790019876987 47.790019876987 47.790019876987 1 1 0 3644 8.72586951599293 -1.11528380485358 0.459373775347611
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2688 M363T3399 M363T56.6 363 363 363 56.6445053796305 56.6445053796305 56.6445053796305 1 0 1 480 1.35968659899106 -0.312538425527442 0.790783326753087
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2689 M363T3819 M363T63.7 363 363 363 63.6505754124772 63.6505754124772 63.6505754124772 1 1 0 1882 2.7726958597684 -1.18063145977797 0.360447423690435
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2690 M363T3253 M363.1T54.2 363.100006103516 363.100006103516 363.100006103516 54.216935531614 54.1948758534037 54.2389952098244 2 2 0 34 3.46675057007891 -3.3172921599795 0.182973621128416
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2691 M363T2730 M363.1T45.5 363.100006103516 363.100006103516 363.100006103516 45.5028425705628 45.5028425705628 45.5028425705628 1 1 0 2479 3.72787653233396 -0.823805349274661 0.561231590946511
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2692 M363T3259 M363.2T54.3 363.200012207031 363.200012207031 363.200012207031 54.3114422765885 54.105513406832 54.353057603626 4 2 2 3591 2.14052297281262 4.30400317140389 0.117222632171159
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2693 M363T2619 M363.2T43.6 363.200012207031 363.200012207031 363.200012207031 43.6417162432725 43.6417162432725 43.6417162432725 1 1 0 2645 Inf -1 0.5
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2694 M363T2726 M363.2T45.4 363.200012207031 363.200012207031 363.200012207031 45.4414202016962 45.4414202016962 45.4414202016962 1 0 1 2480 4.83527731749759 0.776749087970549 0.57111332867579
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2695 M363T4061 M363.3T67.7 363.300018310547 363.300018310547 363.300018310547 67.6807619849665 67.6778089291364 67.6837150407965 2 2 0 [M-H-C3H4]- 404.333 129 9.01414762957738 -4.40093018099301 0.0620490500006681
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2696 M363T3061 M363.3T51 363.300018310547 363.300018310547 363.300018310547 51.010431131708 51.010431131708 51.010431131708 1 1 0 5410 Inf -1 0.5
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2697 M363T3105 M363.3T51.8 363.300018310547 363.300018310547 363.300018310547 51.7545265236134 51.7545265236134 51.7545265236134 1 0 1 68 Inf 1 0.5
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2698 M363T3877 M363.4T64.6 363.399993896484 363.399993896484 363.399993896484 64.612093192559 64.612093192559 64.612093192559 1 1 0 2742 Inf -1 0.5
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2699 M364T2552 M363.8T42.5 363.800018310547 363.800018310547 363.800018310547 42.5367847480001 42.5367847480001 42.5367847480001 1 0 1 3073 Inf 1 0.5
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2700 M364T4128 M363.9T68.8 363.899993896484 363.899993896484 363.899993896484 68.8060999649748 68.8060999649748 68.8060999649748 1 1 0 1485 Inf -1 0.5
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2701 M364T2918 M363.9T48.6 363.899993896484 363.899993896484 363.899993896484 48.6251346470619 48.6251346470619 48.6251346470619 1 1 0 [M+Cl]- 328.936 56 Inf -1 0.5
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2702 M364T3343 M363.9T55.7 363.899993896484 363.899993896484 363.899993896484 55.7242023013456 55.7242023013456 55.7242023013456 1 0 1 808 Inf 1 0.5
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2703 M364T3096 M364T51.6 364 364 364 51.59858988199 51.59858988199 51.59858988199 1 1 0 5363 4.26983167271344 -0.764837521179067 0.583812760584351
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2704 M364T2949 M364T49.1 364 364 364 49.1429891716128 49.1429891716128 49.1429891716128 1 1 0 3177 Inf -1 0.5
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2705 M364T3302 M364T55 364 364 364 55.035040130052 55.035040130052 55.035040130052 1 1 0 167 Inf -1 0.5
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2706 M364T3028 M364T50.5 364 364 364 50.4714835485146 50.4714835485146 50.4714835485146 1 1 0 2143 11.5642949858538 -9.87971256535983 0.0364160849037281
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2707 M364T3218 M364T53.6 364 364 364 53.6298143864331 53.6298143864331 53.6298143864331 1 1 0 4284 3.98698697821293 -1.37511547639842 0.338695031700569
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2708 M364T3159 M364T52.7 364 364 364 52.6521345887275 52.6521345887275 52.6521345887275 1 0 1 831 Inf 1 0.5
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2709 M364T3810 M364T63.5 364 364 364 63.504086851337 63.504086851337 63.504086851337 1 0 1 2385 Inf 1 0.5
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2710 M364T3262 M364.1T54.4 364.100006103516 364.100006103516 364.100006103516 54.3642613237542 54.3298768386126 54.3986458088958 2 0 2 79 1.46084282401037 1.52655535421512 0.266449759603912
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2711 M364T3723 M364.2T62.1 364.200012207031 364.200012207031 364.200012207031 62.0575938371237 61.9486549392737 62.1361187572841 4 2 2 3435 1.97017480647129 9.06681958131047 0.0594434703496662
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2712 M364T3686 M364.2T61.4 364.200012207031 364.200012207031 364.200012207031 61.4386665319626 61.4272181222827 61.5144663077954 3 1 2 [M+Cl]- 329.229 5 1.00679899118591 -0.0258341888993759 0.98304473536831
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2713 M364T3250 M364.2T54.2 364.200012207031 364.200012207031 364.200012207031 54.1729035032622 54.1729035032622 54.1729035032622 1 0 1 [M-H+CF3COOH]- 251.225 34 1.15403439888305 2.0692959502038 0.255040464832343
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2714 M364T2570 M364.2T42.8 364.200012207031 364.200012207031 364.200012207031 42.8380381126804 42.8380381126804 42.8380381126804 1 1 0 5294 1.1900273437884 -0.12225110582526 0.914169114598487
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2715 M364T4428 M364.2T73.8 364.200012207031 364.200012207031 364.200012207031 73.7969957405337 73.7969957405337 73.7969957405337 1 0 1 292 Inf 1 0.5
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2716 M364T3732 M364.3T62.2 364.300018310547 364.300018310547 364.300018310547 62.206314950523 62.206314950523 62.206314950523 1 1 0 3562 Inf -1 0.5
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2717 M364T3234 M364.3T53.9 364.300018310547 364.300018310547 364.300018310547 53.893243072481 53.893243072481 53.893243072481 1 1 0 2713 3.78645027068153 -1.02344506556718 0.489450402063183
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2718 M364T3356 M364.3T55.9 364.300018310547 364.300018310547 364.300018310547 55.9254437958134 55.9254437958134 55.9254437958134 1 1 0 708 1.1856660773348 0.136620947504636 0.903918198279141
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2719 M364T3976 M364.3T66.3 364.300018310547 364.300018310547 364.300018310547 66.2643266359994 66.2643266359994 66.2643266359994 1 0 1 2030 2.49484968936661 0.696412055213805 0.57741255572686
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2720 M364T3506 M364.3T58.4 364.300018310547 364.300018310547 364.300018310547 58.436859117781 58.436859117781 58.436859117781 1 1 0 3375 Inf -1.46048814163721 0.382217147119155
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2721 M364T4202 M364.3T70 364.300018310547 364.300018310547 364.300018310547 70.0338547552096 70.0338547552096 70.0338547552096 1 1 0 5699 1.44887522483622 -0.254975276968772 0.825174969646473
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2722 M364T4011 M364.3T66.8 364.300018310547 364.300018310547 364.300018310547 66.8466930069908 66.8466930069908 66.8466930069908 1 1 0 156 1.19893561939033 -0.329925711466094 0.794496852075816
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2723 M365T3323 M364.9T55.4 364.899993896484 364.899993896484 364.899993896484 55.3848825154218 55.3848825154218 55.3848825154218 1 0 1 1145 2.96825299550007 0.628397976573385 0.626498873380327
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2724 M365T3342 M364.9T55.7 364.899993896484 364.899993896484 364.899993896484 55.6975647523619 55.6975647523619 55.6975647523619 1 0 1 809 Inf 1 0.5
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2725 M365T2938 M364.9T49 364.899993896484 364.899993896484 364.899993896484 48.9741533968068 48.9741533968068 48.9741533968068 1 1 0 2805 Inf -1 0.5
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2726 M365T2683 M365T44.7 365 365 365 44.7106744420217 44.6873773440001 44.727118938791 4 2 2 [46][M]- 6 1.11057584302386 -0.881426783831607 0.533222429064194
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2727 M365T2662 M365T44.4 365 365 365 44.3707216271742 44.367864492896 44.3859108933395 3 1 2 [47][M]- 42 1.12508869435155 -1.28782640625141 0.411165261156554
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2728 M365T4121 M365T68.7 365 365 365 68.6813180349399 68.6813180349399 68.6813180349399 1 0 1 1722 Inf 1 0.5
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2729 M365T3540 M365T59 365 365 365 59.0024969802978 59.0024969802978 59.0024969802978 1 0 1 1962 1.45201974941398 0.256384437422948 0.824268250413939
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2730 M365T3479 M365T58 365 365 365 57.9877274619232 57.9877274619232 57.9877274619232 1 1 0 1791 Inf -1 0.5
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2731 M365T3647 M365T60.8 365 365 365 60.7774621763444 60.7774621763444 60.7774621763444 1 1 0 1524 Inf -1 0.5
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2732 M365T2593 M365T43.2 365 365 365 43.2243995766058 43.2243995766058 43.2243995766058 1 1 0 [M-H-HCNO]- 409.011 61 1.11413517985561 -1.07497200806239 0.398562101538855
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2733 M365T3811 M365T63.5 365 365 365 63.5194955368423 63.5194955368423 63.5194955368423 1 0 1 2386 Inf 1 0.5
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2734 M365T3774 M365T62.9 365 365 365 62.8948409453194 62.8948409453194 62.8948409453194 1 0 1 13 Inf 1 0.5
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2735 M365T3247 M365T54.1 365 365 365 54.1205501417581 54.1205501417581 54.1205501417581 1 0 1 34 6.27777436804239 0.830240606903341 0.553391208417447
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2736 M365T2522 M365.1T42 365.100006103516 365.100006103516 365.100006103516 42.0270444711501 42.0270444711501 42.0270444711501 1 0 1 147 2.26976471687849 1.26970549702792 0.424675061319814
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2737 M365T4127 M365.1T68.8 365.100006103516 365.100006103516 365.100006103516 68.7816594215337 68.7816594215337 68.7816594215337 1 0 1 1486 14.8997965174392 1.00337771359771 0.497545887003657
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2738 M365T2547 M365.1T42.4 365.100006103516 365.100006103516 365.100006103516 42.4443611378167 42.4443611378167 42.4443611378167 1 0 1 5160 4.98204081632665 3.18532059448885 0.0947548381737184
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2739 M365T3385 M365.1T56.4 365.100006103516 365.100006103516 365.100006103516 56.4183799730882 56.4183799730882 56.4183799730882 1 1 0 [M-H-CH4]- 382.136 25 15.3995083515965 -2.40039923461562 0.240345185330857
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2740 M365T3373 M365.2T56.2 365.200012207031 365.200012207031 365.200012207031 56.2129511107161 56.2129511107161 56.2129511107161 1 1 0 [M-H]- 366.209 25 1.70511771124376 -1.07690640494593 0.394214478699273
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lecorguille
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2741 M365T3388 M365.2T56.5 365.200012207031 365.200012207031 365.200012207031 56.4648195460913 56.4648195460913 56.4648195460913 1 0 1 3 2.41767408962983 3.31761909555221 0.181108234920303
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2742 M365T3169 M365.2T52.8 365.200012207031 365.200012207031 365.200012207031 52.8111299876319 52.8111299876319 52.8111299876319 1 0 1 8 1.96026971332377 0.436366458655259 0.71751538486111
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2743 M365T3325 M365.3T55.4 365.300018310547 365.300018310547 365.300018310547 55.4106049008071 55.4106049008071 55.4106049008071 1 0 1 1103 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2744 M365T4138 M365.3T69 365.300018310547 365.300018310547 365.300018310547 68.9626554841847 68.9626554841847 68.9626554841847 1 0 1 3972 3.55326685565427 0.69169830434119 0.601528134597446
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2745 M365T3905 M365.4T65.1 365.399993896484 365.399993896484 365.399993896484 65.0868263882135 65.0868263882135 65.0868263882135 1 1 0 4827 4.12304222937345 -0.736118802417202 0.585246676481605
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2746 M365T3927 M365.4T65.5 365.399993896484 365.399993896484 365.399993896484 65.4568296282313 65.4568296282313 65.4568296282313 1 0 1 2947 Inf 1 0.5
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2747 M366T4468 M365.9T74.5 365.899993896484 365.899993896484 365.899993896484 74.4733037127173 74.4733037127173 74.4733037127173 1 1 0 294 Inf -1 0.5
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2748 M366T3321 M365.9T55.4 365.899993896484 365.899993896484 365.899993896484 55.3532038820237 55.3532038820237 55.3532038820237 1 0 1 1131 Inf 1 0.5
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2749 M366T4141 M365.9T69 365.899993896484 365.899993896484 365.899993896484 69.0161660796057 69.0161660796057 69.0161660796057 1 1 0 4219 Inf -1 0.5
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2750 M366T4118 M365.9T68.6 365.899993896484 365.899993896484 365.899993896484 68.6287722971562 68.6287722971562 68.6287722971562 1 0 1 4556 Inf 1 0.5
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2751 M366T4070 M365.9T67.8 365.899993896484 365.899993896484 365.899993896484 67.8408110616581 67.8408110616581 67.8408110616581 1 0 1 3880 2.29460198462379 0.517212317181683 0.676233597400284
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2752 M366T2683 M366T44.7 366 366 366 44.7204578808759 44.7137721930535 44.7613459684195 4 2 2 [46][M+1]- 6 1.25309136075103 -0.969154077419125 0.509087359367865
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2753 M366T2662 M366T44.4 366 366 366 44.372060424813 44.3592744980949 44.384846351531 2 1 1 [47][M+1]- 42 1.11939235003341 -0.741171546976143 0.593930795800137
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2754 M366T3772 M366T62.9 366 366 366 62.8688643545041 62.8688643545041 62.8688643545041 1 0 1 981 8.11406095859071 3.1400971583083 0.129908427654928
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2755 M366T3813 M366T63.5 366 366 366 63.5434136843954 63.5434136843954 63.5434136843954 1 1 0 2387 Inf -1 0.5
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2756 M366T3195 M366T53.3 366 366 366 53.2505355274355 53.2505355274355 53.2505355274355 1 1 0 1753 Inf -3.08700072625759 0.199435138385167
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2757 M366T3444 M366T57.4 366 366 366 57.3958000162103 57.3958000162103 57.3958000162103 1 0 1 2925 1.82775571669254 0.397303833363879 0.739015309933792
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2758 M366T2751 M366.1T45.9 366.100006103516 366.100006103516 366.100006103516 45.8565680807456 45.8338429728004 45.8792931886908 2 1 1 [M-H]- 367.107 114 1.22837444655156 -0.89294363235338 0.528050527656226
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2759 M366T2787 M366.1T46.5 366.100006103516 366.100006103516 366.100006103516 46.4530549803699 46.4484203110933 46.4576896496466 2 1 1 [M-H]- 367.108 12 1.45580993987311 -1.68088382689136 0.281962169642781
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2760 M366T3854 M366.1T64.2 366.100006103516 366.100006103516 366.100006103516 64.2406174984354 64.2406174984354 64.2406174984354 1 0 1 [M-H-CH4O2]- 415.134 21 1.02808836864725 -0.0228398329456342 0.983963815254184
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2761 M366T3846 M366.2T64.1 366.200012207031 366.200012207031 366.200012207031 64.0960892836848 64.0304006936283 64.1747617436077 4 2 2 21 1.00670570702571 0.0283707169452747 0.980116235246812
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2762 M366T3937 M366.2T65.6 366.200012207031 366.200012207031 366.200012207031 65.6135942124462 65.6135942124462 65.6135942124462 1 0 1 4147 16.1477745861348 6.8088225058635 0.0432476480386224
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2763 M366T3377 M366.2T56.3 366.200012207031 366.200012207031 366.200012207031 56.2858378510571 56.2858378510571 56.2858378510571 1 1 0 [M-H-C2H4O2]- 427.232 25 1.24451318327577 -2.34392229946885 0.143777937522573
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2764 M366T3146 M366.2T52.4 366.200012207031 366.200012207031 366.200012207031 52.4356360860782 52.4356360860782 52.4356360860782 1 1 0 3029 4.34132331399129 -0.922848813915477 0.507377975684758
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2765 M366T3836 M366.3T63.9 366.300018310547 366.300018310547 366.300018310547 63.9341571149116 63.8510847227855 64.0172295070377 2 1 1 75 1.01734974881325 0.0169670519881497 0.989157302905169
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2766 M366T3728 M366.3T62.1 366.300018310547 366.300018310547 366.300018310547 62.1413166059448 62.1413166059448 62.1413166059448 1 0 1 3563 3.28026271882301 0.664934620386891 0.611815441606289
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2767 M366T4465 M366.3T74.4 366.300018310547 366.300018310547 366.300018310547 74.4211370460506 74.4211370460506 74.4211370460506 1 1 0 6236 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2768 M366T4072 M366.3T67.9 366.300018310547 366.300018310547 366.300018310547 67.8670595386998 67.8670595386998 67.8670595386998 1 0 1 3881 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2769 M366T3539 M366.3T59 366.300018310547 366.300018310547 366.300018310547 58.988664231835 58.988664231835 58.988664231835 1 1 0 1963 4.93540589303664 -0.781501924690537 0.56950149205211
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2770 M366T3866 M366.3T64.4 366.300018310547 366.300018310547 366.300018310547 64.4369711962884 64.4369711962884 64.4369711962884 1 0 1 1378 3.43553594834618 0.680675696530632 0.605719014237457
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2771 M366T3412 M366.3T56.9 366.300018310547 366.300018310547 366.300018310547 56.8592576717724 56.8592576717724 56.8592576717724 1 1 0 11 1.86617201365058 -0.461711831060467 0.723361522083963
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2772 M367T4472 M366.9T74.5 366.899993896484 366.899993896484 366.899993896484 74.5384525149842 74.5384525149842 74.5384525149842 1 0 1 6098 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2773 M367T4407 M366.9T73.4 366.899993896484 366.899993896484 366.899993896484 73.4429858483176 73.4429858483176 73.4429858483176 1 0 1 6173 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2774 M367T3109 M367T51.8 367 367 367 51.808915566138 51.808915566138 51.808915566138 1 1 0 3135 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2775 M367T2688 M367T44.8 367 367 367 44.8054099315593 44.8054099315593 44.8054099315593 1 1 0 [46][M+2]- 6 1.27978204934653 -0.935418817333512 0.521150483636883
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2776 M367T2665 M367T44.4 367 367 367 44.4112903647173 44.4112903647173 44.4112903647173 1 1 0 [47][M+2]- 2261 1.2950620260802 -0.58877017233253 0.652570843672083
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2777 M367T3058 M367T51 367 367 367 50.9591444927266 50.9591444927266 50.9591444927266 1 1 0 215 Inf -1 0.5
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lecorguille
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2778 M367T3148 M367T52.5 367 367 367 52.4665826234117 52.4665826234117 52.4665826234117 1 0 1 3036 1.78825815872616 0.384728292115772 0.746146119739956
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2779 M367T3355 M367T55.9 367 367 367 55.910472838249 55.910472838249 55.910472838249 1 0 1 728 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2780 M367T4287 M367.1T71.4 367.100006103516 367.100006103516 367.100006103516 71.4424233598261 71.4424233598261 71.4424233598261 1 1 0 6093 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2781 M367T3522 M367.2T58.7 367.200012207031 367.200012207031 367.200012207031 58.7016222288698 58.6468635907993 58.7278077273236 4 2 2 [48][M]- [M+Cl+CF3COOH]- 218.233 [M-H+CF3COOH]- 254.209 1 1.13405151008924 1.52323395129669 0.361687015304933
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2782 M367T2937 M367.2T49 367.200012207031 367.200012207031 367.200012207031 48.9554017616016 48.9554017616016 48.9554017616016 1 0 1 2806 1.85580288300605 0.492163697919355 0.676161494091183
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2783 M367T4130 M367.2T68.8 367.200012207031 367.200012207031 367.200012207031 68.8333775949274 68.8333775949274 68.8333775949274 1 0 1 [2M-H+Cl]2- 350.227 23 1.40358858095099 0.931325725534609 0.452589867382761
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2784 M367T3843 M367.2T64.1 367.200012207031 367.200012207031 367.200012207031 64.0566768308978 64.0566768308978 64.0566768308978 1 0 1 [M-H]- 368.207 21 1.17272715963489 0.5415633386241 0.653588583337118
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2785 M367T3332 M367.3T55.5 367.300018310547 367.300018310547 367.300018310547 55.5379857096822 55.5379857096822 55.5379857096822 1 0 1 1081 1.35475102326422 0.263232911323295 0.817232164992227
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2786 M367T3833 M367.3T63.9 367.300018310547 367.300018310547 367.300018310547 63.8772288018497 63.8772288018497 63.8772288018497 1 1 0 75 2.20907513138294 -0.498613631931599 0.685342476056511
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2787 M367T4169 M367.3T69.5 367.300018310547 367.300018310547 367.300018310547 69.4791896480895 69.4791896480895 69.4791896480895 1 0 1 236 17.476214736194 2.21020986363569 0.269590937431475
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2788 M367T3776 M367.3T62.9 367.300018310547 367.300018310547 367.300018310547 62.9350862984314 62.9350862984314 62.9350862984314 1 1 0 254 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2789 M367T3397 M367.3T56.6 367.300018310547 367.300018310547 367.300018310547 56.6188161948654 56.6188161948654 56.6188161948654 1 0 1 481 1.78010092356353 0.382073909381092 0.747664035476685
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2790 M367T4051 M367.3T67.5 367.300018310547 367.300018310547 367.300018310547 67.5149367166547 67.5149367166547 67.5149367166547 1 0 1 3424 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2791 M367T3718 M367.3T62 367.300018310547 367.300018310547 367.300018310547 61.9748588051615 61.9748588051615 61.9748588051615 1 0 1 3444 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2792 M368T2606 M367.8T43.4 367.800018310547 367.800018310547 367.800018310547 43.4379381126804 43.4379381126804 43.4379381126804 1 1 0 4011 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2793 M368T2845 M367.9T47.4 367.899993896484 367.899993896484 367.899993896484 47.4148965968474 47.4148965968474 47.4148965968474 1 1 0 5526 1.7331459267246 -0.36639920295012 0.756717294208017
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2794 M368T2542 M368T42.4 368 368 368 42.3661111378167 42.3661111378167 42.3661111378167 1 0 1 5546 2.5355022426407 9.86961826833116 0.0130610212994986
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2795 M368T4256 M368.1T70.9 368.100006103516 368.100006103516 368.100006103516 70.9390525149842 70.9390525149842 70.9390525149842 1 0 1 339 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2796 M368T3405 M368.1T56.7 368.100006103516 368.100006103516 368.100006103516 56.7473507179148 56.7473507179148 56.7473507179148 1 0 1 1321 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2797 M368T4388 M368.1T73.1 368.100006103516 368.100006103516 368.100006103516 73.1299858483176 73.1299858483176 73.1299858483176 1 0 1 314 Inf 1.83993482464832 0.316933001273199
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2798 M368T3819 M368.1T63.6 368.100006103516 368.100006103516 368.100006103516 63.6418900215286 63.6418900215286 63.6418900215286 1 1 0 2388 Inf -2.99705705983039 0.20502028364091
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2799 M368T3867 M368.1T64.5 368.100006103516 368.100006103516 368.100006103516 64.4508503079751 64.4508503079751 64.4508503079751 1 0 1 1379 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2800 M368T3525 M368.2T58.7 368.200012207031 368.200012207031 368.200012207031 58.746965865525 58.7145324371275 58.7793992939225 2 1 1 [48][M+1]- 1 1.20506536469344 1.15558370496125 0.401544034637418
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2801 M368T4132 M368.2T68.9 368.200012207031 368.200012207031 368.200012207031 68.8596528462587 68.8596528462587 68.8596528462587 1 1 0 23 1.07842735024135 0.571676628635319 0.630029577989483
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2802 M368T2719 M368.2T45.3 368.200012207031 368.200012207031 368.200012207031 45.3215323903935 45.3215323903935 45.3215323903935 1 1 0 2481 Inf -1.41988700243985 0.390625823414645
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2803 M368T4092 M368.3T68.2 368.300018310547 368.300018310547 368.300018310547 68.2065490621238 68.2065490621238 68.2065490621238 1 1 0 4963 1.14994380949288 -0.306208189474193 0.789372792773818
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2804 M368T3626 M368.3T60.4 368.300018310547 368.300018310547 368.300018310547 60.4314954588001 60.4314954588001 60.4314954588001 1 1 0 1611 5.12690618808056 -0.790062207876129 0.566618316736223
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2805 M368T4435 M368.5T73.9 368.5 368.5 368.5 73.9124691816509 73.9124691816509 73.9124691816509 1 0 1 313 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2806 M369T4461 M369T74.3 369 369 369 74.3428870460506 74.3428870460506 74.3428870460506 1 1 0 6242 Inf -1 0.5
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2807 M369T4302 M369T71.7 369 369 369 71.7032400264927 71.7032400264927 71.7032400264927 1 1 0 6191 Inf -1 0.5
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2808 M369T3513 M369.1T58.5 369.100006103516 369.100006103516 369.100006103516 58.5419663479614 58.5419663479614 58.5419663479614 1 1 0 4512 Inf -1 0.5
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2809 M369T4264 M369.1T71.1 369.100006103516 369.100006103516 369.100006103516 71.0694691816509 71.0694691816509 71.0694691816509 1 0 1 230 Inf 1 0.5
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2810 M369T2636 M369.1T43.9 369.100006103516 369.100006103516 369.100006103516 43.9407608207897 43.9407608207897 43.9407608207897 1 1 0 2646 3.10712117834551 -0.958728682669818 0.46707808648502
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2811 M369T3030 M369.1T50.5 369.100006103516 369.100006103516 369.100006103516 50.5066379466697 50.5066379466697 50.5066379466697 1 0 1 2118 1.16211538946268 0.142753898885169 0.902944641418998
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2812 M369T4287 M369.1T71.4 369.100006103516 369.100006103516 369.100006103516 71.4477203793839 71.4477203793839 71.4477203793839 1 1 0 6094 Inf -1 0.5
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2813 M369T2592 M369.2T43.2 369.200012207031 369.200012207031 369.200012207031 43.2031881126804 43.2031881126804 43.2031881126804 2 1 0 2889 1.01208100097081 0.2093643609629 0.85925619621623
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2814 M369T3766 M369.2T62.8 369.200012207031 369.200012207031 369.200012207031 62.7669509291947 62.7649736411858 62.7689282172037 2 1 1 13 1.42588726353188 0.369972047768252 0.754243651302163
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2815 M369T4217 M369.2T70.3 369.200012207031 369.200012207031 369.200012207031 70.2766992846671 70.1803985718347 70.3729999974995 2 1 1 [49][M]- [M-H-C3H4]- 410.233 164 1.37023491473624 1.28888397346753 0.385374009801137
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2816 M369T2556 M369.2T42.6 369.200012207031 369.200012207031 369.200012207031 42.6008611378167 42.6008611378167 42.6008611378167 1 0 1 3074 1.03893066140815 0.419501518324471 0.719951279252653
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2817 M369T2625 M369.2T43.8 369.200012207031 369.200012207031 369.200012207031 43.7501154972936 43.7501154972936 43.7501154972936 1 0 1 2616 1.07489653398532 1.92305031951017 0.25102558363065
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2818 M369T2570 M369.2T42.8 369.200012207031 369.200012207031 369.200012207031 42.8380381126804 42.8380381126804 42.8380381126804 1 1 0 5295 1.03959764707739 -0.376241481505477 0.751274866273108
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2819 M369T4393 M369.2T73.2 369.200012207031 369.200012207031 369.200012207031 73.2231790738671 73.2231790738671 73.2231790738671 1 0 1 269 4.36776859504126 3.02214810492456 0.136657278706659
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2820 M369T2688 M369.3T44.8 369.300018310547 369.300018310547 369.300018310547 44.7931198317599 44.7931198317599 44.7931198317599 1 0 1 [M-H-HI]- 498.227 6 Inf 1 0.5
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2821 M369T3472 M369.3T57.9 369.300018310547 369.300018310547 369.300018310547 57.8584510702204 57.8584510702204 57.8584510702204 1 1 0 1792 5.58620873364777 -0.808141215635283 0.560608010906367
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2822 M369T4220 M369.3T70.3 369.300018310547 369.300018310547 369.300018310547 70.3382593646226 70.3382593646226 70.3382593646226 1 0 1 5321 13.1001265321252 1.35902203484055 0.399711683309056
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2823 M369T4129 M369.4T68.8 369.399993896484 369.399993896484 369.399993896484 68.8126958990395 68.8126958990395 68.8126958990395 1 0 1 1487 Inf 1 0.5
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2824 M369T4482 M369.4T74.7 369.399993896484 369.399993896484 369.399993896484 74.6949358483176 74.6949358483176 74.6949358483176 1 0 1 308 6.93055555555597 2.16449066915229 0.227095375143776
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2825 M369T4331 M369.4T72.2 369.399993896484 369.399993896484 369.399993896484 72.1910191816509 72.1910191816509 72.1910191816509 1 0 1 272 8.14457831325278 1.19084468417255 0.43636943387513
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2826 M369T4429 M369.4T73.8 369.399993896484 369.399993896484 369.399993896484 73.8212370460506 73.8212370460506 73.8212370460506 1 1 0 6186 Inf -1 0.5
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2827 M369T4190 M369.4T69.8 369.399993896484 369.399993896484 369.399993896484 69.8401217931534 69.8401217931534 69.8401217931534 1 0 1 6078 5.9845802172004 0.821514068628534 0.556225191081356
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2828 M370T4020 M370T67 370 370 370 67.0036782387206 67.0036782387206 67.0036782387206 1 1 0 5574 Inf -1 0.5
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2829 M370T2686 M370.1T44.8 370.100006103516 370.100006103516 370.100006103516 44.7666654287087 44.7666654287087 44.7666654287087 1 0 1 [M+Cl]- 335.127 [M-H]- 371.106 6 1.01937305025158 0.0256068947223422 0.982868088777218
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2830 M370T3735 M370.1T62.3 370.100006103516 370.100006103516 370.100006103516 62.2580574860459 62.2580574860459 62.2580574860459 1 1 0 84 9.41464042295755 -1.29736060580673 0.410509565120364
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2831 M370T2564 M370.1T42.7 370.100006103516 370.100006103516 370.100006103516 42.7312778044834 42.7312778044834 42.7312778044834 1 0 1 3059 2.99884999640625 -2.01399336654832 0.187043713700388
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2832 M370T2590 M370.1T43.2 370.100006103516 370.100006103516 370.100006103516 43.1746778044834 43.1746778044834 43.1746778044834 1 0 1 2890 2.34626213257796 -1.21565522704799 0.387437288726469
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2833 M370T3076 M370.2T51.3 370.200012207031 370.200012207031 370.200012207031 51.2663295346768 51.2663295346768 51.2663295346768 1 0 1 48 1.80348908900807 1.52889178465588 0.368747574763742
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2834 M370T3915 M370.2T65.3 370.200012207031 370.200012207031 370.200012207031 65.255247133714 65.255247133714 65.255247133714 1 1 0 5151 3.50132131815248 -1.35891597690329 0.372097866544105
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2835 M370T4220 M370.2T70.3 370.200012207031 370.200012207031 370.200012207031 70.3382593646226 70.3382593646226 70.3382593646226 1 0 1 [49][M+1]- 164 3.43007592361135 8.83553941602477 0.0716768952817981
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2836 M370T4463 M370.2T74.4 370.200012207031 370.200012207031 370.200012207031 74.3819525149842 74.3819525149842 74.3819525149842 1 0 1 228 2.23923444976064 0.505318961272712 0.682031755069049
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2837 M370T4221 M370.3T70.4 370.300018310547 370.300018310547 370.300018310547 70.3518106861615 70.3518106861615 70.3518106861615 1 1 0 246 9.20533656294172 -1.9910849535941 0.27418594307271
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2838 M370T3514 M370.3T58.6 370.300018310547 370.300018310547 370.300018310547 58.568217652388 58.568217652388 58.568217652388 1 1 0 396 2.981473373039 -0.630097887326256 0.625798560623703
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2839 M370T3397 M370.3T56.6 370.300018310547 370.300018310547 370.300018310547 56.6246929164813 56.6246929164813 56.6246929164813 1 1 0 482 1.48572969954713 5.03035131162755 0.0794863777793191
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2840 M370T4365 M370.3T72.8 370.300018310547 370.300018310547 370.300018310547 72.7536957405337 72.7536957405337 72.7536957405337 1 0 1 328 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2841 M370T4255 M370.4T70.9 370.399993896484 370.399993896484 370.399993896484 70.9129691816509 70.9129691816509 70.9129691816509 1 0 1 262 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2842 M370T4183 M370.5T69.7 370.5 370.5 370.5 69.7112637855637 69.7112637855637 69.7112637855637 1 0 1 248 Inf 1 0.5
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2843 M371T4194 M370.8T69.9 370.800018310547 370.800018310547 370.800018310547 69.9068203136874 69.9068203136874 69.9068203136874 1 1 0 6162 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2844 M371T4143 M370.9T69 370.899993896484 370.899993896484 370.899993896484 69.0424107210837 69.0424107210837 69.0424107210837 1 1 0 4220 2.97402472864081 -0.871927813216734 0.503010461943732
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2845 M371T3133 M371T52.2 371 371 371 52.2166206071383 52.2166206071383 52.2166206071383 1 0 1 4995 Inf 1 0.5
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2846 M371T3817 M371T63.6 371 371 371 63.6095503993271 63.6095503993271 63.6095503993271 1 0 1 2389 1.02980217284555 0.0207616759643094 0.985322298804169
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2847 M371T3167 M371T52.8 371 371 371 52.7913443052623 52.7913443052623 52.7913443052623 1 0 1 773 2.28457402222207 0.700584668252732 0.566216308630406
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2848 M371T3926 M371T65.4 371 371 371 65.4307028752848 65.4307028752848 65.4307028752848 1 0 1 2964 Inf 2.97115986748619 0.206684803290653
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2849 M371T3208 M371T53.5 371 371 371 53.4678705458984 53.4678705458984 53.4678705458984 1 0 1 4319 Inf 1 0.5
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lecorguille
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2850 M371T3640 M371.2T60.7 371.200012207031 371.200012207031 371.200012207031 60.6597125158402 60.6349610792105 60.6737781302183 4 2 2 59 1.03062113102994 -0.07035787109084 0.95044215736416
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2851 M371T4389 M371.2T73.2 371.200012207031 371.200012207031 371.200012207031 73.1560691816509 73.1560691816509 73.1560691816509 1 0 1 331 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2852 M371T4218 M371.3T70.3 371.300018310547 371.300018310547 371.300018310547 70.2994362565411 70.2994362565411 70.2994362565411 1 1 0 5327 5.27878925930494 -1.75692705753394 0.272641256513879
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2853 M372T2689 M371.8T44.8 371.800018310547 371.800018310547 371.800018310547 44.8156498104774 44.8156498104774 44.8156498104774 1 0 1 651 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2854 M372T2673 M371.9T44.6 371.899993896484 371.899993896484 371.899993896484 44.5542585581039 44.5542585581039 44.5542585581039 1 1 0 4044 13.168659192004 -0.921409262327274 0.524613362681706
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2855 M372T4177 M371.9T69.6 371.899993896484 371.899993896484 371.899993896484 69.6189121737951 69.6189121737951 69.6189121737951 1 1 0 4370 4.02656929621809 -0.742948977528526 0.588632058025064
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2856 M372T3168 M372T52.8 372 372 372 52.7953942454613 52.7953942454613 52.7953942454613 1 1 0 8 2.13754290934056 -0.528225427083771 0.688550980677697
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2857 M372T3802 M372T63.4 372 372 372 63.3721515043846 63.3721515043846 63.3721515043846 1 0 1 2834 3.32849122391823 0.66997985202885 0.609846886641931
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2858 M372T3867 M372T64.5 372 372 372 64.4542135019796 64.4542135019796 64.4542135019796 1 1 0 1380 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2859 M372T4122 M372T68.7 372 372 372 68.7075920019962 68.7075920019962 68.7075920019962 1 0 1 1723 1.2397532676504 0.369391566908342 0.747997994409835
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2860 M372T3737 M372.1T62.3 372.100006103516 372.100006103516 372.100006103516 62.2900359088911 62.2900359088911 62.2900359088911 1 0 1 155 1.1257004104696 0.116953187104382 0.917892009342252
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2861 M372T3430 M372.1T57.2 372.100006103516 372.100006103516 372.100006103516 57.1611244463168 57.1611244463168 57.1611244463168 1 0 1 5265 14.0183287479895 1.13564333250291 0.457399626199873
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2862 M372T3328 M372.2T55.5 372.200012207031 372.200012207031 372.200012207031 55.4620905826162 55.4620905826162 55.4620905826162 2 0 1 [50][M]- 1104 54.3975066741429 0.997560018205086 0.50077750709048
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2863 M372T3384 M372.2T56.4 372.200012207031 372.200012207031 372.200012207031 56.4055400975358 56.3669820347315 56.4440981603401 2 1 0 [51][M]- [M-H-H6O3]- 427.232 25 2.77850467918275 -0.620182404514426 0.629327643332021
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2864 M372T3597 M372.2T60 372.200012207031 372.200012207031 372.200012207031 59.9542959755492 59.8868502771894 60.021741673909 2 1 1 1441 1.32500923694943 -0.211121444794001 0.854353777149199
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2865 M372T3348 M372.2T55.8 372.200012207031 372.200012207031 372.200012207031 55.7974313023316 55.7974313023316 55.7974313023316 1 0 1 695 2.95736009576975 0.639406989091255 0.622098505110364
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2866 M372T2580 M372.2T43 372.200012207031 372.200012207031 372.200012207031 42.9920944711501 42.9920944711501 42.9920944711501 1 0 1 4070 13.7912195121951 1.96414591319026 0.29080626729053
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2867 M372T4190 M372.2T69.8 372.200012207031 372.200012207031 372.200012207031 69.8383408859445 69.8383408859445 69.8383408859445 1 0 1 6079 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2868 M372T3569 M372.2T59.5 372.200012207031 372.200012207031 372.200012207031 59.4916419286895 59.4916419286895 59.4916419286895 1 1 0 27 4.37779716399689 -0.793588902672042 0.564518963678836
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2869 M372T3697 M372.3T61.6 372.300018310547 372.300018310547 372.300018310547 61.6160956964605 61.6160956964605 61.6160956964605 1 1 0 5483 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2870 M372T4221 M372.3T70.4 372.300018310547 372.300018310547 372.300018310547 70.3555724833019 70.3555724833019 70.3555724833019 1 0 1 5985 Inf 1.93667171019412 0.303439538083692
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2871 M372T4171 M372.3T69.5 372.300018310547 372.300018310547 372.300018310547 69.5226165936182 69.5226165936182 69.5226165936182 1 0 1 4389 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2872 M372T3207 M372.3T53.4 372.300018310547 372.300018310547 372.300018310547 53.4418189432457 53.4418189432457 53.4418189432457 1 0 1 4291 1.26832394165867 0.166131460283554 0.884060738544179
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2873 M373T3756 M373T62.6 373 373 373 62.6062922505441 62.6062922505441 62.6062922505441 1 0 1 982 1.15514095515595 0.101541463021956 0.928551560298949
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2874 M373T3138 M373T52.3 373 373 373 52.2954483632949 52.2954483632949 52.2954483632949 1 0 1 3118 1.63712137415237 -0.565068112643871 0.644641185741897
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2875 M373T3325 M373.2T55.4 373.200012207031 373.200012207031 373.200012207031 55.4106049008071 55.4106049008071 55.4106049008071 1 0 1 [50][M+1]- 1105 39.0099800125924 0.997379410848914 0.500824343070209
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2876 M373T4137 M373.2T68.9 373.200012207031 373.200012207031 373.200012207031 68.9440961100042 68.9440961100042 68.9440961100042 1 0 1 3973 10.1131797143273 0.896745861401977 0.532299235943951
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2877 M373T3380 M373.2T56.3 373.200012207031 373.200012207031 373.200012207031 56.3412978113123 56.3412978113123 56.3412978113123 1 1 0 [51][M+1]- 25 2.13875859721429 -0.498450448436987 0.684845925096893
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2878 M373T4165 M373.2T69.4 373.200012207031 373.200012207031 373.200012207031 69.4173881749597 69.4173881749597 69.4173881749597 1 0 1 6157 Inf 1 0.5
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2879 M373T4016 M373.2T66.9 373.200012207031 373.200012207031 373.200012207031 66.9391540824249 66.9391540824249 66.9391540824249 1 1 0 [M-H+NaCOOH]- 306.227 242 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2880 M373T2996 M373.2T49.9 373.200012207031 373.200012207031 373.200012207031 49.9305080673032 49.9305080673032 49.9305080673032 1 1 0 1837 3.71472678700989 -0.705678816059344 0.596301685554682
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2881 M373T3472 M373.3T57.9 373.300018310547 373.300018310547 373.300018310547 57.8585305627072 57.8585305627072 57.8585305627072 1 0 1 1793 Inf 2.25325581732938 0.265908398575049
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2882 M374T4119 M373.8T68.7 373.800018310547 373.800018310547 373.800018310547 68.6550448101035 68.6550448101035 68.6550448101035 1 0 1 4542 Inf 1.14222710754829 0.457795370302359
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2883 M374T4065 M373.9T67.7 373.899993896484 373.899993896484 373.899993896484 67.7478038898782 67.7478038898782 67.7478038898782 1 0 1 3882 1.04710805953259 0.0408591121171982 0.972432221471117
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2884 M374T4133 M373.9T68.9 373.899993896484 373.899993896484 373.899993896484 68.8851037723597 68.8851037723597 68.8851037723597 1 0 1 1488 8.20696855097608 1.11128716670403 0.459696539169433
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2885 M374T3875 M373.9T64.6 373.899993896484 373.899993896484 373.899993896484 64.5792961109386 64.5792961109386 64.5792961109386 1 1 0 2743 Inf -2.66737449443968 0.228344959825559
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2886 M374T2861 M374T47.7 374 374 374 47.6857291045467 47.6857291045467 47.6857291045467 1 0 1 3645 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2887 M374T2928 M374T48.8 374 374 374 48.7945378409559 48.7945378409559 48.7945378409559 1 1 0 2869 1.98098132118172 -0.442067980828374 0.714460929906554
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2888 M374T3948 M374.2T65.8 374.200012207031 374.200012207031 374.200012207031 65.8009548468914 65.8009548468914 65.8009548468914 1 1 0 91 3.97371891820355 -0.725719597095181 0.588975318836928
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2889 M374T3376 M374.2T56.3 374.200012207031 374.200012207031 374.200012207031 56.2642936927239 56.2642936927239 56.2642936927239 1 1 0 [51][M+2]- 25 2.03048272008048 -0.585165914218796 0.642784311969371
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2890 M374T3313 M374.3T55.2 374.300018310547 374.300018310547 374.300018310547 55.2237562221118 55.2237562221118 55.2237562221118 1 1 0 4 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2891 M374T4050 M374.3T67.5 374.300018310547 374.300018310547 374.300018310547 67.4935162561624 67.4935162561624 67.4935162561624 1 1 0 3404 21.9107920878001 -0.953367986424906 0.514666789712839
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2892 M374T3060 M374.3T51 374.300018310547 374.300018310547 374.300018310547 50.9945984359659 50.9945984359659 50.9945984359659 1 1 0 5909 13.0623650112367 -1.19986672199778 0.439318699832603
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2893 M374T3683 M374.3T61.4 374.300018310547 374.300018310547 374.300018310547 61.3832602376645 61.3832602376645 61.3832602376645 1 0 1 [M-H]- 375.305 5 3.33858020336569 6.1742533025137 0.0256831383655169
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2894 M374T3456 M374.3T57.6 374.300018310547 374.300018310547 374.300018310547 57.592710737334 57.592710737334 57.592710737334 1 1 0 1272 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2895 M374T2747 M374.3T45.8 374.300018310547 374.300018310547 374.300018310547 45.7754586791105 45.7754586791105 45.7754586791105 1 0 1 4351 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2896 M374T3884 M374.4T64.7 374.399993896484 374.399993896484 374.399993896484 64.7359113426211 64.7359113426211 64.7359113426211 1 1 0 2236 7.83626823506391 -0.865370516310284 0.54215749161882
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2897 M375T3301 M374.9T55 374.899993896484 374.899993896484 374.899993896484 55.0130568994579 55.0130568994579 55.0130568994579 1 1 0 5385 6.62464945536878 -0.839537506983506 0.550392678041598
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2898 M375T3237 M374.9T53.9 374.899993896484 374.899993896484 374.899993896484 53.9471157877299 53.9471157877299 53.9471157877299 1 0 1 2714 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2899 M375T2848 M374.9T47.5 374.899993896484 374.899993896484 374.899993896484 47.4718190298723 47.4718190298723 47.4718190298723 1 0 1 5631 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2900 M375T4119 M374.9T68.6 374.899993896484 374.899993896484 374.899993896484 68.6486319434924 68.6486319434924 68.6486319434924 1 1 0 4557 4.23867350222788 -0.743661421964212 0.582572001415791
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2901 M375T3839 M374.9T64 374.899993896484 374.899993896484 374.899993896484 63.977849295129 63.977849295129 63.977849295129 1 0 1 3163 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2902 M375T3181 M374.9T53 374.899993896484 374.899993896484 374.899993896484 53.0229941104091 53.0229941104091 53.0229941104091 1 0 1 2191 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2903 M375T3533 M375T58.9 375 375 375 58.8832114820648 58.8832114820648 58.8832114820648 1 1 0 1930 1.56822571853041 -0.65250780506073 0.594877212305638
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2904 M375T3560 M375T59.3 375 375 375 59.3325663137762 59.3325663137762 59.3325663137762 1 1 0 1631 1.95984086084301 -0.723449763951413 0.545783428702411
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2905 M375T2956 M375.1T49.3 375.100006103516 375.100006103516 375.100006103516 49.26855457368 49.26855457368 49.26855457368 1 0 1 3185 1.05110099672032 0.107378578470678 0.924874238627161
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2906 M375T4139 M375.1T69 375.100006103516 375.100006103516 375.100006103516 68.9899337519259 68.9899337519259 68.9899337519259 1 1 0 4221 1.92811529282121 -0.427307047599145 0.722412901523409
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2907 M375T2740 M375.2T45.7 375.200012207031 375.200012207031 375.200012207031 45.6593662294602 45.6593662294602 45.6593662294602 1 1 0 4430 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2908 M375T2994 M375.2T49.9 375.200012207031 375.200012207031 375.200012207031 49.9011643160422 49.9011643160422 49.9011643160422 1 0 1 32 34.1394319002645 1.02513867677775 0.492073808046058
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2909 M375T3683 M375.2T61.4 375.200012207031 375.200012207031 375.200012207031 61.3812954621756 61.3812954621756 61.3812954621756 1 1 0 5 2.35981085716898 -0.753708165322653 0.587455299631694
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2910 M375T2761 M375.3T46 375.300018310547 375.300018310547 375.300018310547 46.0132852461969 46.0132852461969 46.0132852461969 1 0 1 176 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2911 M375T3584 M375.3T59.7 375.300018310547 375.300018310547 375.300018310547 59.7324508050054 59.7324508050054 59.7324508050054 1 0 1 1699 12.8086422075642 0.9191307870732 0.525322253898469
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2912 M375T4099 M375.3T68.3 375.300018310547 375.300018310547 375.300018310547 68.313563412167 68.313563412167 68.313563412167 1 0 1 5098 2.40198831079453 0.538845873853694 0.66592898394394
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2913 M375T3789 M375.3T63.2 375.300018310547 375.300018310547 375.300018310547 63.1547487169901 63.1547487169901 63.1547487169901 1 0 1 4454 4.1313537516978 0.736675259349896 0.585048510640445
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2914 M375T3388 M375.4T56.5 375.399993896484 375.399993896484 375.399993896484 56.4654670360758 56.4654670360758 56.4654670360758 1 1 0 483 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2915 M375T3804 M375.4T63.4 375.399993896484 375.399993896484 375.399993896484 63.4062658614444 63.4062658614444 63.4062658614444 1 1 0 2835 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2916 M375T3954 M375.4T65.9 375.399993896484 375.399993896484 375.399993896484 65.901052469966 65.901052469966 65.901052469966 1 0 1 5456 8.47347108356674 1.35994861569286 0.392873729920162
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2917 M376T2872 M375.8T47.9 375.800018310547 375.800018310547 375.800018310547 47.8683258748499 47.8683258748499 47.8683258748499 1 1 0 133 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2918 M376T4012 M375.8T66.9 375.800018310547 375.800018310547 375.800018310547 66.8598318633081 66.8598318633081 66.8598318633081 1 1 0 5216 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2919 M376T3341 M375.9T55.7 375.899993896484 375.899993896484 375.899993896484 55.6912268812925 55.6912268812925 55.6912268812925 1 1 0 5510 1.23356281840111 -0.157065187277901 0.889733319152268
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2920 M376T3329 M375.9T55.5 375.899993896484 375.899993896484 375.899993896484 55.4850204808216 55.4850204808216 55.4850204808216 1 0 1 [M-H]- 376.91 15 Inf 1.53302706452778 0.367961990439493
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2921 M376T3175_1 M375.9T52.9_1 375.899993896484 375.899993896484 375.899993896484 52.9170895003567 52.9170895003567 52.9170895003567 1 0 1 758 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2922 M376T3989 M375.9T66.5 375.899993896484 375.899993896484 375.899993896484 66.489405004446 66.489405004446 66.489405004446 1 1 0 4472 Inf -2.16630755765838 0.275319492321539
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2923 M376T3382 M375.9T56.4 375.899993896484 375.899993896484 375.899993896484 56.3628026112301 56.3628026112301 56.3628026112301 1 1 0 1561 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2924 M376T3762 M375.9T62.7 375.899993896484 375.899993896484 375.899993896484 62.7000284565457 62.7000284565457 62.7000284565457 1 1 0 983 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2925 M376T3637 M376T60.6 376 376 376 60.621904011814 60.621904011814 60.621904011814 1 1 0 2853 1.12534997420192 0.0832635195059513 0.941318219642806
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2926 M376T3445 M376.1T57.4 376.100006103516 376.100006103516 376.100006103516 57.4163279271016 57.4163279271016 57.4163279271016 1 1 0 [M-H-C2H2]- 403.128 62 2.2677073241892 -0.858651643302606 0.545791558579554
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2927 M376T2543 M376.1T42.4 376.100006103516 376.100006103516 376.100006103516 42.3897495766058 42.3897495766058 42.3897495766058 1 1 0 [M-H-C3H4]- 417.133 153 2.68311775268112 -0.819344721694467 0.557641356494187
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2928 M376T3713 M376.2T61.9 376.200012207031 376.200012207031 376.200012207031 61.8868311628696 61.7655456241751 61.9850414109447 4 2 2 17 1.16440189154334 0.237015148014511 0.845674358727413
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2929 M376T3455 M376.2T57.6 376.200012207031 376.200012207031 376.200012207031 57.5828091523029 57.5395718215567 57.626046483049 2 2 0 [M+Cl]- 341.23 [M-H]- 377.212 [M-H-C2H2]- 403.228 [M-H-C4H4]- 429.233 19 12.1724847875947 -5.47807406012048 0.100072163281518
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2930 M376T3096 M376.2T51.6 376.200012207031 376.200012207031 376.200012207031 51.5974375144201 51.5974375144201 51.5974375144201 1 0 1 5378 2.8343464029562 1.44872679711343 0.291517643472754
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2931 M376T2692 M376.3T44.9 376.300018310547 376.300018310547 376.300018310547 44.8700907630438 44.8700907630438 44.8700907630438 1 0 1 5872 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2932 M376T3921 M376.3T65.3 376.300018310547 376.300018310547 376.300018310547 65.344424821933 65.344424821933 65.344424821933 1 0 1 2993 4.54507947086963 1.03330668151962 0.488334893305068
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2933 M376T3105 M376.3T51.8 376.300018310547 376.300018310547 376.300018310547 51.7554236832621 51.7554236832621 51.7554236832621 1 1 0 3136 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2934 M376T3692 M376.3T61.5 376.300018310547 376.300018310547 376.300018310547 61.531061010891 61.531061010891 61.531061010891 1 0 1 595 6.43925528258123 0.834697182698887 0.551951273530282
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2935 M376T3403 M376.3T56.7 376.300018310547 376.300018310547 376.300018310547 56.721624857134 56.721624857134 56.721624857134 1 0 1 1322 2.77075361220372 1.35879584159823 0.310714007952437
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2936 M376T3904 M376.4T65.1 376.399993896484 376.399993896484 376.399993896484 65.0737610452387 65.0737610452387 65.0737610452387 1 1 0 4788 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2937 M376T3376 M376.4T56.3 376.399993896484 376.399993896484 376.399993896484 56.2642936927239 56.2642936927239 56.2642936927239 1 1 0 [M+Cl]- 341.433 25 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2938 M376T3175_2 M376.4T52.9_2 376.399993896484 376.399993896484 376.399993896484 52.9170895003567 52.9170895003567 52.9170895003567 1 0 1 759 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2939 M377T3376 M376.9T56.3 376.899993896484 376.899993896484 376.899993896484 56.2601789378177 56.2601789378177 56.2601789378177 1 1 0 1562 Inf -1 0.5
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2940 M377T3189 M376.9T53.2 376.899993896484 376.899993896484 376.899993896484 53.1553321001629 53.1553321001629 53.1553321001629 1 0 1 2192 Inf 1 0.5
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2941 M377T3334 M376.9T55.6 376.899993896484 376.899993896484 376.899993896484 55.5652477366008 55.5652477366008 55.5652477366008 1 0 1 1106 Inf 1 0.5
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2942 M377T4119 M377T68.7 377 377 377 68.6537193383853 68.6523938666671 68.6550448101035 2 0 2 4558 21.9934931224758 20.8384464963795 0.0280482713890629
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2943 M377T3917 M377T65.3 377 377 377 65.2811664369697 65.2811664369697 65.2811664369697 1 1 0 5139 4.10411604737845 -1.62205244748259 0.270721857153404
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2944 M377T3070 M377T51.2 377 377 377 51.1642719004382 51.1642719004382 51.1642719004382 1 1 0 48 1.29155415961199 -0.835492797499642 0.53348887078586
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2945 M377T4087 M377T68.1 377 377 377 68.1097117407023 68.1097117407023 68.1097117407023 1 0 1 4977 Inf 1 0.5
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2946 M377T3597 M377T59.9 377 377 377 59.9423771215343 59.9423771215343 59.9423771215343 1 1 0 1451 Inf -1.57395029428346 0.360328826673432
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2947 M377T4080 M377.1T68 377.100006103516 377.100006103516 377.100006103516 68.006347833103 68.006347833103 68.006347833103 1 0 1 5735 1.29566299160024 -0.180647300354993 0.874231116548002
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lecorguille
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2948 M377T3077 M377.1T51.3 377.100006103516 377.100006103516 377.100006103516 51.2843340759674 51.2843340759674 51.2843340759674 1 0 1 5536 1.05115934621306 -0.122306026613011 0.919515768446243
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2949 M377T3709 M377.3T61.8 377.300018310547 377.300018310547 377.300018310547 61.817803184411 61.817803184411 61.817803184411 1 0 1 1178 2.11606266287403 -1.02558735299802 0.453486956753046
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2950 M377T2884 M377.3T48.1 377.300018310547 377.300018310547 377.300018310547 48.0624165737438 48.0624165737438 48.0624165737438 1 0 1 5498 2.64209218728328 0.581270619270214 0.646614751564269
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2951 M377T3840 M377.3T64 377.300018310547 377.300018310547 377.300018310547 64.0080489899556 64.0080489899556 64.0080489899556 1 1 0 3164 1.39607556317785 2.45452852364519 0.245167965959586
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2952 M377T3373 M377.3T56.2 377.300018310547 377.300018310547 377.300018310547 56.2084220817844 56.2084220817844 56.2084220817844 1 0 1 1563 1.77604801562906 0.380747650037512 0.748424117989098
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2953 M377T4135 M377.3T68.9 377.300018310547 377.300018310547 377.300018310547 68.9178140980764 68.9178140980764 68.9178140980764 1 0 1 3974 Inf 2.39071727897 0.252208918583428
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2954 M377T2584 M377.3T43.1 377.300018310547 377.300018310547 377.300018310547 43.0678995766058 43.0678995766058 43.0678995766058 1 1 0 5741 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2955 M377T2736 M377.4T45.6 377.399993896484 377.399993896484 377.399993896484 45.5977817252226 45.5977817252226 45.5977817252226 1 0 1 2482 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2956 M377T3339 M377.4T55.6 377.399993896484 377.399993896484 377.399993896484 55.6434131833795 55.6434131833795 55.6434131833795 1 1 0 1107 Inf -1 0.5
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2957 M378T4009 M377.5T66.8 377.5 377.5 377.5 66.8162040866414 66.8162040866414 66.8162040866414 1 0 1 5217 Inf 1 0.5
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2958 M378T4070 M377.5T67.8 377.5 377.5 377.5 67.8408110616581 67.8408110616581 67.8408110616581 1 0 1 3883 Inf 1 0.5
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2959 M378T3345 M377.9T55.7 377.899993896484 377.899993896484 377.899993896484 55.7479583772851 55.7479583772851 55.7479583772851 1 1 0 802 2.05450112645982 -0.4614995121065 0.704213222843826
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2960 M378T3210 M377.9T53.5 377.899993896484 377.899993896484 377.899993896484 53.5025440180022 53.5025440180022 53.5025440180022 1 1 0 4320 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2961 M378T4065 M378T67.7 378 378 378 67.7478038898782 67.7478038898782 67.7478038898782 1 0 1 3884 5.37462868560979 0.800207647239048 0.563232844004103
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2962 M378T3500 M378T58.3 378 378 378 58.3317289697945 58.3317289697945 58.3317289697945 1 1 0 3363 4.63676126255278 -1.99604385350219 0.29515813953557
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2963 M378T3450 M378T57.5 378 378 378 57.495366268726 57.495366268726 57.495366268726 1 1 0 74 3.99364751896529 -0.727152997925852 0.588458485739589
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2964 M378T3560 M378T59.3 378 378 378 59.328218830654 59.328218830654 59.328218830654 1 1 0 1665 1.02700947937922 0.0270091479144393 0.982809458595683
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2965 M378T3763 M378T62.7 378 378 378 62.7158215312295 62.7158215312295 62.7158215312295 1 1 0 936 3.24729766877681 -0.954977956045907 0.514600722495884
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2966 M378T2918 M378T48.6 378 378 378 48.6398626568051 48.6398626568051 48.6398626568051 1 1 0 56 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2967 M378T2644 M378.1T44.1 378.100006103516 378.100006103516 378.100006103516 44.0665109372853 44.0665109372853 44.0665109372853 1 1 0 5652 4.43381005680709 -1.4724585402017 0.323010016099244
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2968 M378T3172 M378.3T52.9 378.300018310547 378.300018310547 378.300018310547 52.8693499623457 52.8693499623457 52.8693499623457 1 0 1 742 Inf 1.26983149637482 0.424673848910195
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2969 M378T2659 M378.3T44.3 378.300018310547 378.300018310547 378.300018310547 44.3145983176532 44.3145983176532 44.3145983176532 1 1 0 4045 9.0663903710209 -0.884339551343829 0.536182818853804
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2970 M378T3891 M378.4T64.9 378.399993896484 378.399993896484 378.399993896484 64.8557397281843 64.8557397281843 64.8557397281843 1 0 1 4900 5.44313131834362 0.802845743146855 0.562357892395768
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2971 M378T3356 M378.4T55.9 378.399993896484 378.399993896484 378.399993896484 55.9260812482431 55.9260812482431 55.9260812482431 1 0 1 729 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2972 M378T3382 M378.4T56.4 378.399993896484 378.399993896484 378.399993896484 56.3622416481102 56.3622416481102 56.3622416481102 1 0 1 1564 7.10435626306663 0.850853648167822 0.546769064803007
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2973 M379T4037 M378.6T67.3 378.600006103516 378.600006103516 378.600006103516 67.2914265502955 67.2914265502955 67.2914265502955 1 1 0 3766 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2974 M379T4094 M378.6T68.2 378.600006103516 378.600006103516 378.600006103516 68.2389213595141 68.2389213595141 68.2389213595141 1 0 1 5099 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2975 M379T4103 M378.9T68.4 378.899993896484 378.899993896484 378.899993896484 68.3894766740669 68.3894766740669 68.3894766740669 1 1 0 6175 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2976 M379T2632 M378.9T43.9 378.899993896484 378.899993896484 378.899993896484 43.8693976674685 43.8693976674685 43.8693976674685 1 0 1 2619 5.35110010057047 0.799285512526556 0.563539191151777
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2977 M379T2918 M379T48.6 379 379 379 48.6255705767146 48.6255705767146 48.6255705767146 1 0 1 2759 1.92264624594028 0.42574042025964 0.723265296705072
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2978 M379T3360 M379T56 379 379 379 56.0029966944767 56.0029966944767 56.0029966944767 1 1 0 7 Inf -1 0.5
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2979 M379T3010 M379T50.2 379 379 379 50.1711493210939 50.1711493210939 50.1711493210939 1 0 1 2076 5.98322191076184 2.44809188228465 0.166690811859797
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2980 M379T3326 M379.1T55.4 379.100006103516 379.100006103516 379.100006103516 55.4307733265363 55.4106049008071 55.4340142637695 4 2 2 [M-H]- 380.112 15 1.5703168782444 -0.938536707215349 0.459015173089376
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2981 M379T3505 M379.1T58.4 379.100006103516 379.100006103516 379.100006103516 58.4196996073545 58.4196996073545 58.4196996073545 1 0 1 [M-H+NaCOOH]- 312.127 76 3.8938137468029 2.5143606446117 0.159924187165396
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2982 M379T4127 M379.1T68.8 379.100006103516 379.100006103516 379.100006103516 68.7813078538486 68.7813078538486 68.7813078538486 1 1 0 1489 1.82331397668335 -0.574068989191547 0.631135848815431
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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2983 M379T3191 M379.1T53.2 379.100006103516 379.100006103516 379.100006103516 53.1814849627454 53.1814849627454 53.1814849627454 1 0 1 2215 1.18696441814104 0.188869496614349 0.877483380143064
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2984 M379T3335 M379.2T55.6 379.200012207031 379.200012207031 379.200012207031 55.5910595484731 55.5866343730178 55.6172922832278 3 2 1 [52][M]- 15 1.36165560349589 0.517617259603875 0.660268782380443
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2985 M379T3669 M379.2T61.1 379.200012207031 379.200012207031 379.200012207031 61.1467514117221 61.1467514117221 61.1467514117221 1 0 1 [M-H+NaCOOH]- 312.214 2 2.16353004589344 0.853096560113289 0.549866909630841
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2986 M379T2861 M379.2T47.7 379.200012207031 379.200012207031 379.200012207031 47.6858524211873 47.6858524211873 47.6858524211873 1 1 0 3646 4.93258892079313 -0.781370913400324 0.569545814672443
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2987 M379T3200 M379.2T53.3 379.200012207031 379.200012207031 379.200012207031 53.3376448076071 53.3376448076071 53.3376448076071 1 0 1 1747 2.27578956970206 0.922731702641987 0.500389585284087
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2988 M379T3837 M379.3T64 379.300018310547 379.300018310547 379.300018310547 63.9556912991038 63.9556912991038 63.9556912991038 1 1 0 [53][M]- 3157 1.9377806297683 -0.91633083143278 0.516903184582477
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2989 M379T3110 M379.3T51.8 379.300018310547 379.300018310547 379.300018310547 51.8332001944449 51.8332001944449 51.8332001944449 1 0 1 165 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2990 M379T3043 M379.3T50.7 379.300018310547 379.300018310547 379.300018310547 50.7134359613332 50.7134359613332 50.7134359613332 1 0 1 3221 Inf 2.08158287305683 0.285108881397879
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2991 M379T2684 M379.4T44.7 379.399993896484 379.399993896484 379.399993896484 44.7402216334792 44.7402216334792 44.7402216334792 1 0 1 6 Inf 1 0.5
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2992 M379T3783 M379.4T63.1 379.399993896484 379.399993896484 379.399993896484 63.0507370196622 63.0507370196622 63.0507370196622 1 0 1 3673 Inf 1.3184244855 0.413106980219741
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2993 M380T3708 M380T61.8 380 380 380 61.8024089058433 61.8024089058433 61.8024089058433 1 0 1 1154 1.57061547492038 0.768669628456313 0.574702880121846
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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2994 M380T2886 M380T48.1 380 380 380 48.099298168901 48.099298168901 48.099298168901 1 0 1 5659 Inf 1 0.5
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2995 M380T3919 M380T65.3 380 380 380 65.3181406233457 65.3181406233457 65.3181406233457 1 0 1 2994 1.43330422074096 0.315497220035515 0.797115672754328
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2996 M380T3307 M380T55.1 380 380 380 55.116771308306 55.116771308306 55.116771308306 1 0 1 530 2.05954665311082 0.462788608692903 0.703542295917439
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2997 M380T3423 M380T57.1 380 380 380 57.057103190847 57.057103190847 57.057103190847 1 0 1 869 Inf 1 0.5
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2998 M380T3047 M380T50.8 380 380 380 50.7853923704499 50.7853923704499 50.7853923704499 1 1 0 3490 Inf -1 0.5
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2999 M380T3016 M380T50.3 380 380 380 50.2635773029958 50.2635773029958 50.2635773029958 1 1 0 2082 Inf -1 0.5
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3000 M380T3149 M380.1T52.5 380.100006103516 380.100006103516 380.100006103516 52.4902307644566 52.4873689953876 52.4930925335255 2 1 1 [54][M]- 64 1.40165400716211 -0.375266641930772 0.745560427703416
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3001 M380T3190 M380.1T53.2 380.100006103516 380.100006103516 380.100006103516 53.1721226253981 53.0808280817757 53.2634171690205 2 1 0 2170 1.28143678227553 -0.683114751825595 0.569514391079359
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3002 M380T2893 M380.1T48.2 380.100006103516 380.100006103516 380.100006103516 48.2097870775546 48.2097870775546 48.2097870775546 1 1 0 [M-H-NCO]- 423.106 95 2.1933790534244 -0.811324109668985 0.565404093792003
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3003 M380T3324 M380.2T55.4 380.200012207031 380.200012207031 380.200012207031 55.4046579778071 55.3242954747926 55.4850204808216 2 1 1 [52][M+1]- 15 1.25171776327041 0.339470487405791 0.776263648748491
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3004 M380T2966 M380.2T49.4 380.200012207031 380.200012207031 380.200012207031 49.429214999819 49.429214999819 49.429214999819 1 1 0 72 6.25319205514469 -0.9631747824094 0.511741307524765
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3005 M380T3520 M380.3T58.7 380.300018310547 380.300018310547 380.300018310547 58.6629662863166 58.6629662863166 58.6629662863166 1 0 1 352 1.98506976549746 0.443181324412711 0.713866995778919
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3006 M380T3837 M380.3T64 380.300018310547 380.300018310547 380.300018310547 63.9515740439647 63.9515740439647 63.9515740439647 1 0 1 [53][M+1]- 3165 1.01679400189175 -0.0165561593053701 0.989348066968547
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3007 M380T3874 M380.3T64.6 380.300018310547 380.300018310547 380.300018310547 64.5679272183167 64.5679272183167 64.5679272183167 1 0 1 [M-H-HCNO]- 424.325 55 4.59239708310199 0.764337885096047 0.575361359122911
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3008 M380T4135 M380.4T68.9 380.399993896484 380.399993896484 380.399993896484 68.9178140980764 68.9178140980764 68.9178140980764 1 0 1 3975 5.0364155231822 1.7709223448007 0.263534796824267
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3009 M381T2683 M381T44.7 381 381 381 44.7204578808759 44.6872010390512 44.734431164126 4 2 2 [M-H]- 382.006 6 1.08091881298412 -0.16681136140378 0.883754967355947
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3010 M381T3263 M381T54.4 381 381 381 54.3763096412814 54.2919017405391 54.4607175420238 2 0 2 3459 Inf 8.51648351648292 0.0744107566615646
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3011 M381T3421 M381T57 381 381 381 57.0100120381423 57.0100120381423 57.0100120381423 1 1 0 870 Inf -1 0.5
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3012 M381T3432 M381T57.2 381 381 381 57.2074214757873 57.2074214757873 57.2074214757873 1 0 1 139 Inf 1 0.5
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lecorguille
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diff changeset
3013 M381T4109 M381T68.5 381 381 381 68.4912677521327 68.4912677521327 68.4912677521327 1 1 0 [M-H-C4H4]- 434.033 43 4.86901360716742 -0.778372833484624 0.570561758849319
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3014 M381T3971 M381T66.2 381 381 381 66.1854785667939 66.1854785667939 66.1854785667939 1 0 1 2031 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3015 M381T3202 M381T53.4 381 381 381 53.3636837201586 53.3636837201586 53.3636837201586 1 0 1 1754 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3016 M381T3398 M381T56.6 381 381 381 56.6274204785056 56.6274204785056 56.6274204785056 1 0 1 501 Inf 1.56674084628131 0.361653035363109
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3017 M381T2593 M381T43.2 381 381 381 43.2243995766058 43.2243995766058 43.2243995766058 1 1 0 [M-H-HCN]- 409.011 61 1.00319613365895 -0.0152521957686511 0.990285528109704
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3018 M381T3749 M381T62.5 381 381 381 62.4916371293198 62.4916371293198 62.4916371293198 1 1 0 1050 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3019 M381T3149 M381.1T52.5 381.100006103516 381.100006103516 381.100006103516 52.4902307644566 52.4873689953876 52.4930925335255 2 1 1 [54][M+1]- 64 1.27787246506035 -0.253660712058671 0.826048344530375
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3020 M381T2632 M381.1T43.9 381.100006103516 381.100006103516 381.100006103516 43.8693976674685 43.8693976674685 43.8693976674685 1 0 1 53 3.18656220477004 1.14936559929549 0.388887189994816
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3021 M381T3272 M381.2T54.5 381.200012207031 381.200012207031 381.200012207031 54.537605802131 54.537605802131 54.537605802131 1 1 0 5014 3.80447733859027 -0.71293505215075 0.593626997083412
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3022 M381T3169 M381.2T52.8 381.200012207031 381.200012207031 381.200012207031 52.8201062340874 52.8201062340874 52.8201062340874 1 1 0 774 4.25283827003293 -0.744556750323901 0.582256128295072
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3023 M381T4108 M381.3T68.5 381.300018310547 381.300018310547 381.300018310547 68.4714911255888 68.4714911255888 68.4714911255888 1 0 1 2303 1.84276362755726 0.40196470294473 0.736398013848431
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3024 M381T3304 M381.3T55.1 381.300018310547 381.300018310547 381.300018310547 55.0657288361012 55.0657288361012 55.0657288361012 1 1 0 5386 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3025 M381T4076 M381.3T67.9 381.300018310547 381.300018310547 381.300018310547 67.9288009819939 67.9288009819939 67.9288009819939 1 0 1 3885 12.1577114106396 0.914658856099615 0.526714025677432
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3026 M382T2528 M381.9T42.1 381.899993896484 381.899993896484 381.899993896484 42.1289329099392 42.1289329099392 42.1289329099392 1 1 0 5595 6.10393700787407 -0.825170906823879 0.555035228360351
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3027 M382T2914 M381.9T48.6 381.899993896484 381.899993896484 381.899993896484 48.5738329707945 48.5738329707945 48.5738329707945 1 1 0 56 73.4520784256773 -1.01380310785541 0.495584080673291
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3028 M382T3517 M382T58.6 382 382 382 58.6093617735738 58.6093617735738 58.6093617735738 1 1 0 397 3.09597412646288 -1.04626397044663 0.427896663213531
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3029 M382T3313 M382T55.2 382 382 382 55.2217695481591 55.2217695481591 55.2217695481591 1 0 1 531 5.07533770235492 0.787822235432972 0.567370340961166
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3030 M382T3628 M382T60.5 382 382 382 60.4706701712737 60.4706701712737 60.4706701712737 1 0 1 1612 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3031 M382T3169 M382T52.8 382 382 382 52.8111299876319 52.8111299876319 52.8111299876319 1 0 1 [M-H-HI]- 510.927 8 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3032 M382T3644 M382T60.7 382 382 382 60.7256363111377 60.7256363111377 60.7256363111377 1 1 0 1535 5.60449488173204 -0.80879796107224 0.560391575363006
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3033 M382T2930 M382T48.8 382 382 382 48.8315744781086 48.8315744781086 48.8315744781086 1 1 0 3626 13.4658185795734 -0.923195749950607 0.524057619404111
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3034 M382T3241 M382.1T54 382.100006103516 382.100006103516 382.100006103516 54.0192943936452 54.0125705490977 54.0260182381928 2 1 1 3461 1.67455239609033 -0.859116044138828 0.524943001326791
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3035 M382T3261 M382.1T54.3 382.100006103516 382.100006103516 382.100006103516 54.3457617907021 54.3457617907021 54.3457617907021 1 1 0 3591 1.4774987120851 -0.710980791206465 0.577120016025236
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3036 M382T4045 M382.1T67.4 382.100006103516 382.100006103516 382.100006103516 67.4113832176194 67.4113832176194 67.4113832176194 1 0 1 4114 2.02723369040385 1.02492701333071 0.490953505735165
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3037 M382T2950 M382.1T49.2 382.100006103516 382.100006103516 382.100006103516 49.1689841076333 49.1689841076333 49.1689841076333 1 1 0 70 4.89530584713731 -0.913362294923622 0.52561288083617
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3038 M382T3786 M382.2T63.1 382.200012207031 382.200012207031 382.200012207031 63.1080703628007 63.0920580157722 63.1687094970261 3 2 1 4446 7.56661211127813 -9.28729448777226 0.0505768795475052
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3039 M382T2736 M382.2T45.6 382.200012207031 382.200012207031 382.200012207031 45.5942420663962 45.5942420663962 45.5942420663962 1 1 0 2483 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3040 M382T3490 M382.2T58.2 382.200012207031 382.200012207031 382.200012207031 58.168440428507 58.168440428507 58.168440428507 1 1 0 [M+Cl]- 347.229 31 1.12312713887978 -1.078074098101 0.395151804512359
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3041 M382T3218 M382.2T53.6 382.200012207031 382.200012207031 382.200012207031 53.6298143864331 53.6298143864331 53.6298143864331 1 1 0 113 2.18037951298872 0.789822481599993 0.513183050104039
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3042 M382T3184 M382.2T53.1 382.200012207031 382.200012207031 382.200012207031 53.0741227792108 53.0741227792108 53.0741227792108 1 1 0 [M-H-CH4O2]- 431.23 40 1.66947081943591 0.621755616008731 0.624631030061633
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3043 M382T3796 M382.3T63.3 382.300018310547 382.300018310547 382.300018310547 63.2588360066774 63.2588360066774 63.2588360066774 1 0 1 5404 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3044 M382T4128 M382.4T68.8 382.399993896484 382.399993896484 382.399993896484 68.8060999649748 68.8060999649748 68.8060999649748 1 1 0 1490 1.24857456926677 -0.240936181603571 0.842999516383448
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3045 M383T4139 M383T69 383 383 383 68.9899337519259 68.9899337519259 68.9899337519259 1 1 0 4222 26.0923349054837 -1.25639162536329 0.427183889232304
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3046 M383T3254 M383.1T54.2 383.100006103516 383.100006103516 383.100006103516 54.2252384151604 54.2252384151604 54.2252384151604 1 0 1 [M+Cl]- 348.127 34 2.13799680434001 -1.20069134254071 0.359140638246207
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3047 M383T3813 M383.1T63.6 383.100006103516 383.100006103516 383.100006103516 63.556829274789 63.556829274789 63.556829274789 1 0 1 2373 2.11313425263563 1.87011727363936 0.216026072203701
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3048 M383T3599 M383.1T60 383.100006103516 383.100006103516 383.100006103516 59.9892970699843 59.9892970699843 59.9892970699843 1 0 1 1452 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3049 M383T2732 M383.2T45.5 383.200012207031 383.200012207031 383.200012207031 45.5288689149464 45.5288689149464 45.5288689149464 1 1 0 2484 8.19630493490039 -4.07935147499613 0.0672625276179524
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3050 M383T3782 M383.2T63 383.200012207031 383.200012207031 383.200012207031 63.0397173259654 63.0397173259654 63.0397173259654 1 1 0 [M-H]- 384.205 88 1.41459542164723 -1.53403349173591 0.303094268977888
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3051 M383T4102 M383.3T68.4 383.300018310547 383.300018310547 383.300018310547 68.3601872172842 68.3601872172842 68.3601872172842 1 1 0 216 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3052 M383T4049 M383.3T67.5 383.300018310547 383.300018310547 383.300018310547 67.4890654787083 67.4890654787083 67.4890654787083 1 0 1 3425 Inf 2.31311382457185 0.259774241533163
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3053 M383T3356 M383.3T55.9 383.300018310547 383.300018310547 383.300018310547 55.9297776307842 55.9297776307842 55.9297776307842 1 1 0 730 2.66828828849059 -0.585462982363391 0.644769217034876
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3054 M383T3793 M383.3T63.2 383.300018310547 383.300018310547 383.300018310547 63.2229612692366 63.2229612692366 63.2229612692366 1 1 0 5519 6.81480309956682 -0.844219964375271 0.548889959274005
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3055 M383T3518 M383.3T58.6 383.300018310547 383.300018310547 383.300018310547 58.6369436897545 58.6369436897545 58.6369436897545 1 0 1 398 12.9089264527664 1.45681248798877 0.37786761578541
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3056 M384T2948 M383.9T49.1 383.899993896484 383.899993896484 383.899993896484 49.1376764837018 49.1376764837018 49.1376764837018 1 0 1 3186 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3057 M384T2699 M383.9T45 383.899993896484 383.899993896484 383.899993896484 44.9779101077089 44.9779101077089 44.9779101077089 1 0 1 5070 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3058 M384T3308 M384T55.1 384 384 384 55.1403209090725 55.1403209090725 55.1403209090725 1 1 0 532 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3059 M384T2916 M384T48.6 384 384 384 48.5994804250865 48.5994804250865 48.5994804250865 1 1 0 2768 10.732830232314 -1.15128818710363 0.451191056310151
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3060 M384T4149 M384T69.1 384 384 384 69.1473472982977 69.1473472982977 69.1473472982977 1 1 0 6179 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3061 M384T4270 M384T71.2 384 384 384 71.1626624072004 71.1626624072004 71.1626624072004 1 0 1 332 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3062 M384T3135 M384T52.2 384 384 384 52.2467312242011 52.2467312242011 52.2467312242011 1 1 0 144 1.24126199428764 -0.151359450091395 0.894134263681247
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3063 M384T3496 M384.1T58.3 384.100006103516 384.100006103516 384.100006103516 58.2666138953485 58.2666138953485 58.2666138953485 1 0 1 3504 2.1381444959708 3.33133887524696 0.0833101975491297
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3064 M384T3121 M384.1T52 384.100006103516 384.100006103516 384.100006103516 52.0187646305578 52.0187646305578 52.0187646305578 1 1 0 5086 15.3868000170174 -1.00415104682128 0.497389550260069
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3065 M384T2829 M384.1T47.2 384.100006103516 384.100006103516 384.100006103516 47.1547339748676 47.1547339748676 47.1547339748676 1 0 1 4578 Inf 3.20684511317984 0.19243555128928
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3066 M384T4032 M384.1T67.2 384.100006103516 384.100006103516 384.100006103516 67.2040745099098 67.2040745099098 67.2040745099098 1 0 1 3767 1.78067089791021 0.762815408242528 0.576001223179317
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3067 M384T4143 M384.1T69 384.100006103516 384.100006103516 384.100006103516 69.0492204926483 69.0492204926483 69.0492204926483 1 0 1 4223 1.12454046129798 -0.12437857283672 0.9211427082793
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3068 M384T2600 M384.1T43.3 384.100006103516 384.100006103516 384.100006103516 43.3287329099392 43.3287329099392 43.3287329099392 1 1 0 61 7.60241937974188 -1.09132104702081 0.471252793179563
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3069 M384T3989 M384.2T66.5 384.200012207031 384.200012207031 384.200012207031 66.4774067988272 66.4483004191523 66.5065131785021 2 1 1 [M-H-NaOH]- 425.208 118 5.47232320852167 -3.8814442472655 0.101501322017855
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3070 M384T3985 M384.3T66.4 384.300018310547 384.300018310547 384.300018310547 66.409527209304 66.3168913366957 66.5021630819123 2 0 2 4479 2.6055224806868 -0.623351822351829 0.644425840098653
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3071 M384T3165 M384.3T52.7 384.300018310547 384.300018310547 384.300018310547 52.7443712332593 52.7443712332593 52.7443712332593 1 1 0 832 4.59479560925188 -0.764467011176646 0.575316863422003
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3072 M384T4083 M384.3T68.1 384.300018310547 384.300018310547 384.300018310547 68.0509125128589 68.0509125128589 68.0509125128589 1 0 1 5723 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3073 M384T2608 M384.3T43.5 384.300018310547 384.300018310547 384.300018310547 43.4615778044834 43.4615778044834 43.4615778044834 1 0 1 4012 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3074 M384T3349 M384.4T55.8 384.399993896484 384.399993896484 384.399993896484 55.8216030760909 55.8216030760909 55.8216030760909 1 1 0 688 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3075 M385T2623 M385T43.7 385 385 385 43.711089276949 43.711089276949 43.711089276949 1 0 1 2612 5.39099838059867 0.800844328283322 0.5630214842862
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3076 M385T4200 M385T70 385 385 385 69.9962244755141 69.9962244755141 69.9962244755141 1 0 1 198 2.62413497772057 1.30232000225733 0.331487535406735
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3077 M385T3171 M385.1T52.8 385.100006103516 385.100006103516 385.100006103516 52.843347304496 52.7940229687452 52.8970785626083 5 2 1 760 1.03390774547946 -0.139237621712618 0.909212748671106
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3078 M385T2744 M385.1T45.7 385.100006103516 385.100006103516 385.100006103516 45.7378834453013 45.7378834453013 45.7378834453013 1 1 0 4594 4.18588446625328 -1.0653258925786 0.477233236719441
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3079 M385T3466 M385.1T57.8 385.100006103516 385.100006103516 385.100006103516 57.7600924594815 57.7600924594815 57.7600924594815 1 0 1 4029 1.83438284848911 0.399369792307319 0.737853460215163
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3080 M385T3650 M385.1T60.8 385.100006103516 385.100006103516 385.100006103516 60.8271996623736 60.8271996623736 60.8271996623736 1 0 1 1536 5.28695948517027 0.810530648128839 0.566204209688873
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3081 M385T3747 M385.1T62.5 385.100006103516 385.100006103516 385.100006103516 62.4512227073803 62.4512227073803 62.4512227073803 1 1 0 1051 27.5192892124461 -1.01090708004284 0.496158988475942
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3082 M385T3789 M385.1T63.2 385.100006103516 385.100006103516 385.100006103516 63.1547487169901 63.1547487169901 63.1547487169901 1 0 1 4446 3.8439159571306 0.765582428984369 0.572938859718999
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3083 M385T3546 M385.1T59.1 385.100006103516 385.100006103516 385.100006103516 59.1072147389838 59.1072147389838 59.1072147389838 1 0 1 44 1.19362389379557 0.314562534412232 0.802080678536806
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3084 M385T3443 M385.2T57.4 385.200012207031 385.200012207031 385.200012207031 57.3908114269103 57.300590065727 57.4737949279535 4 2 2 [55][M]- [M+Cl]- 350.226 [M-H]- 386.209 62 1.03099370051415 -0.669482603506438 0.613803745664409
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3085 M385T4132 M385.2T68.9 385.200012207031 385.200012207031 385.200012207031 68.8592396341954 68.7798457445238 68.8596528462587 3 2 1 [56][M]- [M+Cl]- 350.227 23 1.2910237646513 -0.75589538438861 0.534336217115202
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3086 M385T3983 M385.2T66.4 385.200012207031 385.200012207031 385.200012207031 66.3835047023264 66.3835047023264 66.3835047023264 2 1 0 [M-H-HC2N]- 425.208 118 3.91371282380884 -8.72103169992173 0.0726777727812729
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3087 M385T2967 M385.2T49.4 385.200012207031 385.200012207031 385.200012207031 49.4465931738099 49.4465931738099 49.4465931738099 1 0 1 3234 1.20480057554933 -0.156039009865719 0.890403402944073
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3088 M385T3521 M385.3T58.7 385.300018310547 385.300018310547 385.300018310547 58.6890071058393 58.6890071058393 58.6890071058393 1 0 1 399 5.07437585132297 1.44013888041907 0.346546056421511
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3089 M385T3996 M385.3T66.6 385.300018310547 385.300018310547 385.300018310547 66.6059855649146 66.6059855649146 66.6059855649146 1 0 1 5440 Inf 3.12737763100671 0.197022515025982
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3090 M385T3379 M385.3T56.3 385.300018310547 385.300018310547 385.300018310547 56.3114934695469 56.3114934695469 56.3114934695469 1 1 0 1565 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3091 M385T3974 M385.3T66.2 385.300018310547 385.300018310547 385.300018310547 66.2380440769863 66.2380440769863 66.2380440769863 1 0 1 2032 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3092 M385T4166 M385.3T69.4 385.300018310547 385.300018310547 385.300018310547 69.4275925560112 69.4275925560112 69.4275925560112 1 0 1 5917 5.611177291689 1.74109846269934 0.283079219136497
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3093 M385T2828 M385.3T47.1 385.300018310547 385.300018310547 385.300018310547 47.1285769709032 47.1285769709032 47.1285769709032 1 0 1 4579 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3094 M386T3091 M386T51.5 386 386 386 51.5190323101435 51.5190323101435 51.5190323101435 1 0 1 5364 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3095 M386T2619 M386T43.6 386 386 386 43.6441611378167 43.6441611378167 43.6441611378167 1 0 1 2647 1.80733625995449 2.65980214130093 0.158884421959544
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3096 M386T3024 M386T50.4 386 386 386 50.3939537758457 50.3939537758457 50.3939537758457 1 1 0 2121 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3097 M386T3647 M386.1T60.8 386.100006103516 386.100006103516 386.100006103516 60.7755886288174 60.7755886288174 60.7755886288174 1 0 1 1537 Inf 1.38748532740247 0.397570680664364
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3098 M386T3439 M386.2T57.3 386.200012207031 386.200012207031 386.200012207031 57.3125622161082 57.300590065727 57.5216205803072 3 2 1 [55][M+1]- 62 1.07520518584329 -0.665824510117223 0.625693979694522
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3099 M386T4128 M386.2T68.8 386.200012207031 386.200012207031 386.200012207031 68.8075175566691 68.8075175566691 68.8075175566691 1 0 1 [56][M+1]- 23 1.3563443875369 1.72128825057952 0.333189378381098
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3100 M386T3175 M386.2T52.9 386.200012207031 386.200012207031 386.200012207031 52.9244068046548 52.9244068046548 52.9244068046548 1 1 0 743 2.51913666115849 -1.16242296444702 0.44952249826904
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3101 M386T3509 M386.3T58.5 386.300018310547 386.300018310547 386.300018310547 58.4789053242507 58.4789053242507 58.4789053242507 1 1 0 119 Inf -1.15401100394072 0.454559246408264
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3102 M386T3308 M386.3T55.1 386.300018310547 386.300018310547 386.300018310547 55.1403209090725 55.1403209090725 55.1403209090725 1 1 0 533 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3103 M386T4136 M386.3T68.9 386.300018310547 386.300018310547 386.300018310547 68.9368222184917 68.9368222184917 68.9368222184917 1 0 1 3976 1.26549630803277 -0.216969523324953 0.858134223201564
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3104 M386T3940 M386.3T65.7 386.300018310547 386.300018310547 386.300018310547 65.6703115057066 65.6703115057066 65.6703115057066 1 1 0 4177 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3105 M386T4026 M386.3T67.1 386.300018310547 386.300018310547 386.300018310547 67.1052517121556 67.1052517121556 67.1052517121556 1 0 1 5950 2.88664154662884 1.46551080535541 0.28540788312142
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3106 M386T3520 M386.4T58.7 386.399993896484 386.399993896484 386.399993896484 58.6629662863166 58.6629662863166 58.6629662863166 1 0 1 400 2.7578634482746 0.599224054668019 0.638789404293173
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3107 M386T4234 M386.4T70.6 386.399993896484 386.399993896484 386.399993896484 70.5739025149842 70.5739025149842 70.5739025149842 1 0 1 212 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3108 M386T4149 M386.5T69.1 386.5 386.5 386.5 69.1473472982977 69.1473472982977 69.1473472982977 1 1 0 6180 2.39034081343096 -0.5365860299173 0.666990862650916
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3109 M387T3113 M387T51.9 387 387 387 51.8843971195701 51.8843971195701 51.8843971195701 1 1 0 5344 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3110 M387T3141 M387T52.4 387 387 387 52.3506439876142 52.3506439876142 52.3506439876142 1 1 0 3119 Inf -3.39293879635966 0.182464595310141
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3111 M387T2629 M387T43.8 387 387 387 43.8166288370589 43.8166288370589 43.8166288370589 1 0 1 2618 1.30262086385879 0.348615102628884 0.774419076636527
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3112 M387T2935 M387T48.9 387 387 387 48.9227891331268 48.9227891331268 48.9227891331268 1 1 0 2807 1.03470570035289 0.037266541757222 0.973724885969372
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3113 M387T2799 M387T46.6 387 387 387 46.6423139337858 46.6423139337858 46.6423139337858 1 0 1 3940 1.52629710104256 0.684813242992379 0.604066433130515
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3114 M387T4182 M387.1T69.7 387.100006103516 387.100006103516 387.100006103516 69.6947584361798 69.6947584361798 69.6947584361798 1 1 0 6005 2.45299652078161 -3.78275537820262 0.121473580277539
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3115 M387T4221 M387.2T70.3 387.200012207031 387.200012207031 387.200012207031 70.346908624676 70.346908624676 70.346908624676 1 1 0 5986 1.9660759267077 -0.437975230875723 0.716651344584119
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3116 M387T4206 M387.2T70.1 387.200012207031 387.200012207031 387.200012207031 70.0978291949187 70.0978291949187 70.0978291949187 1 0 1 4920 2.87138123022581 0.61547837788415 0.631877827562282
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3117 M387T2950 M387.2T49.2 387.200012207031 387.200012207031 387.200012207031 49.1638110899715 49.1638110899715 49.1638110899715 1 0 1 3187 2.49109187180432 0.597021671612482 0.656526153295438
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3118 M387T3445 M387.3T57.4 387.300018310547 387.300018310547 387.300018310547 57.4218132225933 57.4218132225933 57.4218132225933 1 0 1 2926 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3119 M387T3328 M387.3T55.5 387.300018310547 387.300018310547 387.300018310547 55.4620905826162 55.4620905826162 55.4620905826162 1 0 1 1108 1.30670908628067 0.186398889623636 0.870356552799824
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3120 M387T3531 M387.3T58.8 387.300018310547 387.300018310547 387.300018310547 58.8455724550566 58.8455724550566 58.8455724550566 1 0 1 1964 8.29041197100543 0.873050448251257 0.539732337325911
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3121 M387T3385 M387.3T56.4 387.300018310547 387.300018310547 387.300018310547 56.415350756882 56.415350756882 56.415350756882 1 0 1 1566 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3122 M387T4149 M387.4T69.1 387.399993896484 387.399993896484 387.399993896484 69.1468068575433 69.1468068575433 69.1468068575433 1 1 0 289 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3123 M387T4110 M387.4T68.5 387.399993896484 387.399993896484 387.399993896484 68.4939886959916 68.4939886959916 68.4939886959916 1 1 0 2304 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3124 M387T4169 M387.4T69.5 387.399993896484 387.399993896484 387.399993896484 69.4880138442078 69.4880138442078 69.4880138442078 1 1 0 5917 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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diff changeset
3125 M387T4063 M387.4T67.7 387.399993896484 387.399993896484 387.399993896484 67.7219395051013 67.7219395051013 67.7219395051013 1 0 1 5797 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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diff changeset
3126 M388T3900 M387.9T65 387.899993896484 387.899993896484 387.899993896484 65.0076224553358 65.0076224553358 65.0076224553358 1 1 0 4828 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3127 M388T2528 M387.9T42.1 387.899993896484 387.899993896484 387.899993896484 42.1289329099392 42.1289329099392 42.1289329099392 1 1 0 5596 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3128 M388T3331 M387.9T55.5 387.899993896484 387.899993896484 387.899993896484 55.5127172407738 55.5127172407738 55.5127172407738 1 1 0 1109 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3129 M388T3883 M388T64.7 388 388 388 64.7249495620513 64.7249495620513 64.7249495620513 1 0 1 2216 7.09324381093672 0.957835372033646 0.50746783651359
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3130 M388T4132 M388T68.9 388 388 388 68.85862190811 68.85862190811 68.85862190811 1 1 0 1491 2.41750715735578 -0.711328113898299 0.584351436120816
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3131 M388T3152 M388T52.5 388 388 388 52.531098603379 52.531098603379 52.531098603379 1 0 1 3037 Inf 3.67243628849817 0.169247402375179
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3132 M388T2606 M388T43.4 388 388 388 43.4354944711501 43.4354944711501 43.4354944711501 1 0 1 4013 Inf 2.38485749790416 0.25276557610618
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3133 M388T3200 M388T53.3 388 388 388 53.3376448076071 53.3376448076071 53.3376448076071 1 0 1 1755 1.61157389214674 0.413315691788059 0.733597109022966
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3134 M388T3726 M388T62.1 388 388 388 62.1060311531104 62.1060311531104 62.1060311531104 1 0 1 4678 7.5208285319088 0.859471720978145 0.544026751421472
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3135 M388T2592 M388.1T43.2 388.100006103516 388.100006103516 388.100006103516 43.2007611378167 43.2007611378167 43.2007611378167 1 0 1 [M-H]- 389.106 61 1.0579333952279 -0.146761757783933 0.901227384283918
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3136 M388T3728 M388.3T62.1 388.300018310547 388.300018310547 388.300018310547 62.1361187572841 62.1361187572841 62.1361187572841 1 1 0 3564 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3137 M388T4065 M388.3T67.8 388.300018310547 388.300018310547 388.300018310547 67.7566880027759 67.7566880027759 67.7566880027759 1 1 0 3886 15.6006928061514 -0.933983486085576 0.520702296729354
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3138 M388T4466 M388.3T74.4 388.300018310547 388.300018310547 388.300018310547 74.4341191816509 74.4341191816509 74.4341191816509 1 0 1 6237 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3139 M388T4168 M388.3T69.5 388.300018310547 388.300018310547 388.300018310547 69.4700007875602 69.4700007875602 69.4700007875602 1 0 1 5925 1.42578185996364 -0.420324893924291 0.743916052788845
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3140 M388T3806 M388.3T63.4 388.300018310547 388.300018310547 388.300018310547 63.4362673859345 63.4362673859345 63.4362673859345 1 1 0 4182 5.42918201494218 -0.802314094538944 0.562534045766377
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3141 M388T3502 M388.3T58.4 388.300018310547 388.300018310547 388.300018310547 58.3748252024416 58.3748252024416 58.3748252024416 1 1 0 3376 4.15652060532838 -0.73834641448119 0.584454189533375
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3142 M388T4107 M388.3T68.4 388.300018310547 388.300018310547 388.300018310547 68.4456488229912 68.4456488229912 68.4456488229912 1 0 1 2305 2.86229214447944 1.82481027496947 0.304383416794527
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3143 M389T2872 M388.9T47.9 388.899993896484 388.899993896484 388.899993896484 47.8738616553085 47.8738616553085 47.8738616553085 1 0 1 4762 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3144 M389T3888 M388.9T64.8 388.899993896484 388.899993896484 388.899993896484 64.7965447309627 64.7965447309627 64.7965447309627 1 1 0 2237 1.41581385012174 -0.239889235863978 0.83494036740004
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3145 M389T2641 M388.9T44 388.899993896484 388.899993896484 388.899993896484 44.020973097144 44.020973097144 44.020973097144 1 1 0 5667 5.49686112985464 -0.906321411607385 0.521564260856918
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3146 M389T3935 M388.9T65.6 388.899993896484 388.899993896484 388.899993896484 65.587465806386 65.587465806386 65.587465806386 1 0 1 4148 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3147 M389T2619 M388.9T43.6 388.899993896484 388.899993896484 388.899993896484 43.6466047793471 43.6466047793471 43.6466047793471 1 1 0 2648 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3148 M389T2705 M389T45.1 389 389 389 45.0858233114304 45.082918480445 45.0887281424159 2 0 2 136 1.50182414636713 0.491572368214856 0.706924385738088
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3149 M389T3070 M389T51.2 389 389 389 51.1608945821892 51.1608945821892 51.1608945821892 1 0 1 2429 4.26444840819835 0.745286096489962 0.581999064380537
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3150 M389T3312 M389T55.2 389 389 389 55.1929136707268 55.1929136707268 55.1929136707268 1 1 0 534 Inf -6.29012242516844 0.10036947104536
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3151 M389T3878 M389T64.6 389 389 389 64.6315632432903 64.6315632432903 64.6315632432903 1 1 0 2744 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3152 M389T3936 M389T65.6 389 389 389 65.5923732990028 65.5923732990028 65.5923732990028 1 1 0 4178 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3153 M389T4180 M389T69.7 389 389 389 69.6686714714612 69.6686714714612 69.6686714714612 1 1 0 6006 3.10325667578047 -0.645091794134733 0.619694982631694
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3154 M389T3900 M389.1T65 389.100006103516 389.100006103516 389.100006103516 65.0027518857316 65.0027518857316 65.0027518857316 1 0 1 4829 6.77649777910801 2.29610353311103 0.216175758181087
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3155 M389T3367 M389.1T56.1 389.100006103516 389.100006103516 389.100006103516 56.1101960927151 56.1101960927151 56.1101960927151 1 1 0 4657 19.443138106666 -1.4053479423435 0.391768565577087
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3156 M389T3351 M389.2T55.8 389.200012207031 389.200012207031 389.200012207031 55.8476159036111 55.7508385684307 55.9517815655405 5 2 2 [57][M]- 7 1.65901461537103 7.75702755071438 0.0749409270620007
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3157 M389T3902 M389.3T65 389.300018310547 389.300018310547 389.300018310547 65.0340256313823 65.0340256313823 65.0340256313823 1 1 0 4830 Inf -1.27169951077721 0.424219055179036
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3158 M389T4173 M389.3T69.5 389.300018310547 389.300018310547 389.300018310547 69.548925578163 69.548925578163 69.548925578163 1 0 1 4390 1.91410083192308 0.423277305088352 0.724608722213287
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3159 M389T3520 M389.4T58.7 389.399993896484 389.399993896484 389.399993896484 58.6618656936205 58.6618656936205 58.6618656936205 1 1 0 401 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3160 M389T3180 M389.4T53 389.399993896484 389.399993896484 389.399993896484 52.996517665389 52.996517665389 52.996517665389 1 0 1 2193 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3161 M390T4059 M389.8T67.7 389.800018310547 389.800018310547 389.800018310547 67.65694615063 67.65694615063 67.65694615063 1 0 1 4697 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3162 M390T3912 M390T65.2 390 390 390 65.1925041642146 65.1925041642146 65.1925041642146 1 1 0 4831 15.0255281961621 -0.931386158262291 0.521510158894671
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3163 M390T3528 M390T58.8 390 390 390 58.7933303813603 58.7933303813603 58.7933303813603 1 0 1 402 12.1681336563915 1.05226292542135 0.481349899304895
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3164 M390T3095 M390T51.6 390 390 390 51.5751785922493 51.5751785922493 51.5751785922493 1 1 0 5365 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3165 M390T2993 M390T49.9 390 390 390 49.8788907688248 49.8788907688248 49.8788907688248 1 1 0 32 1.08290465154112 -0.115761808821863 0.920259241756539
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3166 M390T3376 M390.1T56.3 390.100006103516 390.100006103516 390.100006103516 56.2597032044068 56.2597032044068 56.2597032044068 1 0 1 1567 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3167 M390T4179 M390.1T69.7 390.100006103516 390.100006103516 390.100006103516 69.654150830977 69.654150830977 69.654150830977 1 0 1 4391 2.1956114084112 0.618760956142639 0.610701699046394
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3168 M390T3350 M390.2T55.8 390.200012207031 390.200012207031 390.200012207031 55.8283925206576 55.7434284078368 55.8746527962526 4 2 2 [57][M+1]- 7 1.04178174374782 -0.234746250280995 0.844622745342127
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3169 M390T2985 M390.2T49.7 390.200012207031 390.200012207031 390.200012207031 49.7426782045574 49.7426782045574 49.7426782045574 1 0 1 4629 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3170 M390T3814 M390.2T63.6 390.200012207031 390.200012207031 390.200012207031 63.570206330049 63.570206330049 63.570206330049 1 1 0 46 6.13031438269338 -0.926997127141568 0.523011309529074
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3171 M390T3123 M390.2T52 390.200012207031 390.200012207031 390.200012207031 52.0449472980221 52.0449472980221 52.0449472980221 1 1 0 5078 1.14117164020161 -0.198049437334811 0.869059082221701
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3172 M390T3678 M390.3T61.3 390.300018310547 390.300018310547 390.300018310547 61.2960210515393 61.2960210515393 61.2960210515393 1 0 1 3691 1.32377641163054 -0.195159948211588 0.864477801008511
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3173 M390T3448 M390.3T57.5 390.300018310547 390.300018310547 390.300018310547 57.4727453031397 57.4727453031397 57.4727453031397 1 0 1 2927 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3174 M390T3429 M390.3T57.1 390.300018310547 390.300018310547 390.300018310547 57.14178766703 57.14178766703 57.14178766703 1 1 0 5266 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3175 M390T4111 M390.3T68.5 390.300018310547 390.300018310547 390.300018310547 68.5174902467128 68.5174902467128 68.5174902467128 1 1 0 [M-H-H2S]- 425.304 43 5.22283515228858 -2.07002657928911 0.284456562957762
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3176 M390T3135 M390.3T52.2 390.300018310547 390.300018310547 390.300018310547 52.2429098507451 52.2429098507451 52.2429098507451 1 0 1 144 2.39751832622784 0.779072849033458 0.527389248870555
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3177 M390T3181 M390.3T53 390.300018310547 390.300018310547 390.300018310547 53.0229941104091 53.0229941104091 53.0229941104091 1 0 1 2194 3.19654828629027 1.19967308358288 0.369640695336108
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3178 M390T3542 M390.4T59 390.399993896484 390.399993896484 390.399993896484 59.0333172991383 59.0333172991383 59.0333172991383 1 1 0 2340 1.85140070553137 -0.404618437460328 0.734914047079938
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3179 M391T3329 M391T55.5 391 391 391 55.4878608086466 55.3795249542604 55.5388872663233 3 1 2 [M+Cl+NH3]- 339.006 [M+Cl]- 356.035 15 2.09503065504996 0.804776646035532 0.505881765187537
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3180 M391T4144 M391T69.1 391 391 391 69.0660535572266 69.0660535572266 69.0660535572266 1 0 1 5830 3.30775360769994 1.17603359644961 0.383490797986503
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3181 M391T3511 M391T58.5 391 391 391 58.5157019193259 58.5157019193259 58.5157019193259 1 1 0 4524 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3182 M391T2711 M391T45.2 391 391 391 45.1820594489337 45.1820594489337 45.1820594489337 1 1 0 2485 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3183 M391T3287 M391T54.8 391 391 391 54.7755737431411 54.7755737431411 54.7755737431411 1 1 0 3795 1.59408037178797 -0.315701455661522 0.787012345251673
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3184 M391T3239 M391T54 391 391 391 53.9867271823243 53.9867271823243 53.9867271823243 1 1 0 80 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3185 M391T3627 M391.1T60.5 391.100006103516 391.100006103516 391.100006103516 60.4568730284616 60.3625377209829 60.5122878429917 3 2 1 [58][M]- [M-H]- 392.112 [M-H-HCNO]- 435.125 26 1.01421948343146 0.0467485975036706 0.969419888087652
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3186 M391T3633 M391.2T60.5 391.200012207031 391.200012207031 391.200012207031 60.5441153467027 60.5441153467027 60.5441153467027 1 1 0 45 4.26161475050246 -1.42881581761004 0.330792106541358
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3187 M391T3496 M391.2T58.3 391.200012207031 391.200012207031 391.200012207031 58.2666138953485 58.2666138953485 58.2666138953485 1 0 1 [M-H-C3H3]- 431.228 [M-H-HC2N]- 431.228 3504 1.17431936638412 0.55557134252456 0.644594743677309
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3188 M391T3619 M391.2T60.3 391.200012207031 391.200012207031 391.200012207031 60.3248123554143 60.3248123554143 60.3248123554143 1 0 1 2584 117.738643227811 1.99052343188315 0.296360110410644
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3189 M391T3177 M391.2T52.9 391.200012207031 391.200012207031 391.200012207031 52.947766074638 52.947766074638 52.947766074638 1 1 0 749 1.23670189178703 -0.471741155360033 0.689708044743338
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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diff changeset
3190 M391T4173 M391.4T69.5 391.399993896484 391.399993896484 391.399993896484 69.548925578163 69.548925578163 69.548925578163 1 0 1 4392 Inf 3.68955922414804 0.168498189954787
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3191 M392T4078 M391.9T68 391.899993896484 391.899993896484 391.899993896484 67.9713176910834 67.9713176910834 67.9713176910834 1 1 0 3887 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3192 M392T3033 M392T50.5 392 392 392 50.5485649630851 50.5485649630851 50.5485649630851 1 1 0 2144 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3193 M392T2779 M392T46.3 392 392 392 46.3249236766347 46.3249236766347 46.3249236766347 1 1 0 4269 2.00400965757531 -0.50071178552059 0.704317106928173
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3194 M392T3510 M392T58.5 392 392 392 58.5049043819478 58.5049043819478 58.5049043819478 1 1 0 4525 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3195 M392T3166 M392T52.8 392 392 392 52.7679352198924 52.7679352198924 52.7679352198924 1 1 0 833 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3196 M392T3628 M392.1T60.5 392.100006103516 392.100006103516 392.100006103516 60.4592472487597 60.4204003306338 60.5075637611423 3 1 2 [58][M+1]- 26 1.53015072686199 0.99511936441655 0.450583945250937
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3197 M392T3476 M392.1T57.9 392.100006103516 392.100006103516 392.100006103516 57.937114605918 57.937114605918 57.937114605918 1 1 0 [M-H]- 393.108 31 1.91468428403455 -1.02166691370016 0.414929486659841
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3198 M392T3492 M392.1T58.2 392.100006103516 392.100006103516 392.100006103516 58.1979191760685 58.1979191760685 58.1979191760685 1 0 1 [M-H]- 393.108 31 1.50671349951657 0.474310559338576 0.708537664641021
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3199 M392T2922 M392.1T48.7 392.100006103516 392.100006103516 392.100006103516 48.6972229266458 48.6972229266458 48.6972229266458 1 0 1 2870 6.69044708140149 0.84118883702529 0.549862170910984
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3200 M392T3455 M392.1T57.6 392.100006103516 392.100006103516 392.100006103516 57.5773277312198 57.5773277312198 57.5773277312198 1 0 1 1273 Inf 1.50394003692995 0.373563698646242
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3201 M392T2928 M392.2T48.8 392.200012207031 392.200012207031 392.200012207031 48.8072215714548 48.8072215714548 48.8072215714548 1 0 1 [M+Cl]- 357.225 3616 1.94250971411691 1.50981155195206 0.271579114473244
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3202 M392T3680 M392.2T61.3 392.200012207031 392.200012207031 392.200012207031 61.3293438226592 61.3293438226592 61.3293438226592 1 1 0 3703 1.78164359813712 -1.12501926559633 0.44884061565246
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3203 M392T3618 M392.2T60.3 392.200012207031 392.200012207031 392.200012207031 60.304338600179 60.304338600179 60.304338600179 1 1 0 2562 12.4550253804964 -10.5251135790562 0.0289091180788541
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3204 M392T3280 M392.3T54.7 392.300018310547 392.300018310547 392.300018310547 54.6650660579157 54.6650660579157 54.6650660579157 1 1 0 1243 3.53686030187907 -1.67820052593724 0.237235780954359
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3205 M392T2591 M392.3T43.2 392.300018310547 392.300018310547 392.300018310547 43.1771047793471 43.1771047793471 43.1771047793471 1 1 0 2891 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3206 M392T3938 M392.3T65.6 392.300018310547 392.300018310547 392.300018310547 65.6335356587046 65.6335356587046 65.6335356587046 1 0 1 4149 6.14659767628363 1.35901486754964 0.381595568561075
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3207 M392T4139 M392.4T69 392.399993896484 392.399993896484 392.399993896484 68.9901597969697 68.9901597969697 68.9901597969697 1 1 0 4224 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3208 M393T4151 M392.9T69.2 392.899993896484 392.899993896484 392.899993896484 69.1806808927375 69.1806808927375 69.1806808927375 1 0 1 6043 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3209 M393T2659 M392.9T44.3 392.899993896484 392.899993896484 392.899993896484 44.3145983176532 44.3145983176532 44.3145983176532 1 1 0 4046 11.145937234407 -1.53507479365762 0.359595449453676
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3210 M393T2847 M393T47.4 393 393 393 47.4469931264701 47.4264275431257 47.4675587098144 2 2 0 5523 11.0134527412853 -4.00269500674197 0.102739493744143
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3211 M393T4129 M393T68.8 393 393 393 68.8234436207085 68.7290731433405 68.9178140980764 2 1 1 1492 1.23980310274335 0.150551470253112 0.89468718539716
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3212 M393T3317 M393T55.3 393 393 393 55.2763665058289 55.2763665058289 55.2763665058289 1 1 0 504 Inf -1 0.5
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lecorguille
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3213 M393T3077 M393T51.3 393 393 393 51.2843340759674 51.2843340759674 51.2843340759674 1 0 1 5537 1.82863852605528 0.695612897741152 0.568883023237974
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3214 M393T2740 M393T45.7 393 393 393 45.6717955459557 45.6717955459557 45.6717955459557 1 1 0 4431 1.77737508581664 -0.381182461571565 0.748174804904343
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3215 M393T3145 M393T52.4 393 393 393 52.4135612869749 52.4135612869749 52.4135612869749 1 0 1 3038 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3216 M393T3904 M393T65.1 393 393 393 65.0604157244199 65.0604157244199 65.0604157244199 1 1 0 4832 3.34069935808469 -0.671234063525071 0.609359666690254
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3217 M393T3763 M393T62.7 393 393 393 62.7118680963244 62.7118680963244 62.7118680963244 1 0 1 984 Inf 1 0.5
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lecorguille
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3218 M393T3778 M393T63 393 393 393 62.9727843206595 62.9727843206595 62.9727843206595 1 0 1 3674 4.93376105179113 0.781425445309124 0.569527365169552
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3219 M393T4053 M393.1T67.6 393.100006103516 393.100006103516 393.100006103516 67.5518714602162 67.5518714602162 67.5518714602162 1 0 1 77 1.69888059802921 0.377224684311397 0.754692264032915
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3220 M393T3280 M393.2T54.7 393.200012207031 393.200012207031 393.200012207031 54.661478025108 54.661478025108 54.661478025108 1 0 1 18 2.63753944577899 6.62441779276402 0.0647073818116646
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3221 M393T4119 M393.2T68.7 393.200012207031 393.200012207031 393.200012207031 68.6523938666671 68.6523938666671 68.6523938666671 1 0 1 4539 1.95188039652112 0.823770007936915 0.506209092885258
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3222 M393T3892 M393.3T64.9 393.300018310547 393.300018310547 393.300018310547 64.8660337506906 64.8660337506906 64.8660337506906 1 1 0 4895 80.6218488667232 -0.999846071382123 0.500007250892267
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3223 M393T3860 M393.3T64.3 393.300018310547 393.300018310547 393.300018310547 64.3321385375691 64.3321385375691 64.3321385375691 1 0 1 1381 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3224 M393T4034 M393.3T67.2 393.300018310547 393.300018310547 393.300018310547 67.2297583167141 67.2297583167141 67.2297583167141 1 1 0 3768 20.9278738460089 -0.951131629999876 0.515364014524098
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3225 M393T3954 M393.3T65.9 393.300018310547 393.300018310547 393.300018310547 65.9068659635501 65.9068659635501 65.9068659635501 1 1 0 5457 1.28270013223742 0.272447902907344 0.825920319419912
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3226 M394T3297 M394T54.9 394 394 394 54.947299031165 54.947299031165 54.947299031165 1 0 1 2603 Inf 1 0.5
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3227 M394T4053 M394T67.5 394 394 394 67.5462092090621 67.5462092090621 67.5462092090621 1 1 0 3409 8.60689908378757 -0.877908488942748 0.538202797347145
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3228 M394T2652 M394T44.2 394 394 394 44.1998819071603 44.1998819071603 44.1998819071603 1 0 1 220 1.75498030468477 1.44281881231377 0.327175114803979
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3229 M394T3942 M394T65.7 394 394 394 65.6919835399717 65.6919835399717 65.6919835399717 1 0 1 [59][M]2- 4150 2.55511817750444 0.729380910784683 0.561376740989132
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3230 M394T4128 M394.1T68.8 394.100006103516 394.100006103516 394.100006103516 68.8060999649748 68.8060999649748 68.8060999649748 1 1 0 23 1.1887870509831 -0.464010626997399 0.707921289594173
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3231 M394T3924 M394.1T65.4 394.100006103516 394.100006103516 394.100006103516 65.4040089091546 65.4040089091546 65.4040089091546 1 1 0 2995 1.94086206852068 -1.65668139813407 0.290712670655885
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3232 M394T2891 M394.1T48.2 394.100006103516 394.100006103516 394.100006103516 48.1833795870331 48.1833795870331 48.1833795870331 1 1 0 [M-H-CO]- 423.106 [M-H-C2H5NO]- 454.139 95 2.75955982085795 -0.969837469543157 0.504326245481757
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3233 M394T3973 M394.1T66.2 394.100006103516 394.100006103516 394.100006103516 66.2148952569402 66.2148952569402 66.2148952569402 1 0 1 1987 8.5647916714793 0.877283510767298 0.538399386418007
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3234 M394T3890 M394.2T64.8 394.200012207031 394.200012207031 394.200012207031 64.840028836485 64.840028836485 64.840028836485 1 1 0 [M+Cl+HCOOH]- 313.212 41 15.2111900487845 -0.995688609017545 0.500731605648275
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3235 M394T2589 M394.2T43.1 394.200012207031 394.200012207031 394.200012207031 43.1461495766058 43.1461495766058 43.1461495766058 1 1 0 2878 Inf -4.47635009136152 0.13992105814042
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3236 M394T3900 M394.3T65 394.300018310547 394.300018310547 394.300018310547 64.9959186851761 64.9959186851761 64.9959186851761 1 1 0 4833 5.30370279293176 -0.808530014517126 0.565581529067599
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3237 M394T2724 M394.3T45.4 394.300018310547 394.300018310547 394.300018310547 45.3955462015806 45.3955462015806 45.3955462015806 1 0 1 2486 2.43792504195673 0.699111400227336 0.573671612368861
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3238 M394T2854 M394.3T47.6 394.300018310547 394.300018310547 394.300018310547 47.5723129114763 47.5723129114763 47.5723129114763 1 1 0 4258 Inf -1 0.5
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3239 M394T4098 M394.3T68.3 394.300018310547 394.300018310547 394.300018310547 68.3077506242246 68.3077506242246 68.3077506242246 1 1 0 5100 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3240 M394T4067 M394.3T67.8 394.300018310547 394.300018310547 394.300018310547 67.7883070896262 67.7883070896262 67.7883070896262 1 1 0 3888 2.07179661781036 -0.465895443881028 0.701929872692358
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3241 M394T3692 M394.4T61.5 394.399993896484 394.399993896484 394.399993896484 61.5398770366194 61.5398770366194 61.5398770366194 1 1 0 [M-H-C2H5NO]- 454.435 5 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3242 M394T2672 M394.4T44.5 394.399993896484 394.399993896484 394.399993896484 44.5290207377522 44.5290207377522 44.5290207377522 1 0 1 4034 5.12897310364147 0.790151024513448 0.566588533100574
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3243 M394T2812 M394.4T46.9 394.399993896484 394.399993896484 394.399993896484 46.8698722049404 46.8698722049404 46.8698722049404 1 0 1 3295 3.46188204588145 0.683207298038321 0.604750882715957
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3244 M394T3558 M394.4T59.3 394.399993896484 394.399993896484 394.399993896484 59.2993398729394 59.2993398729394 59.2993398729394 1 0 1 1666 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3245 M394T3943 M394.5T65.7 394.5 394.5 394.5 65.7181150130927 65.7181150130927 65.7181150130927 1 0 1 [59][M+1]2- 4151 8.17907292465461 0.871249062979248 0.540300360109151
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3246 M395T2710 M394.8T45.2 394.800018310547 394.800018310547 394.800018310547 45.1708376810117 45.1708376810117 45.1708376810117 1 0 1 5876 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3247 M395T2780 M394.9T46.3 394.899993896484 394.899993896484 394.899993896484 46.3409462818017 46.3409462818017 46.3409462818017 1 1 0 4275 1.71394684176037 -0.56283940976234 0.633134224023057
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3248 M395T2613 M394.9T43.5 394.899993896484 394.899993896484 394.899993896484 43.5422714460137 43.5422714460137 43.5422714460137 1 1 0 4002 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3249 M395T3309 M395T55.1 395 395 395 55.1430121663691 55.1430121663691 55.1430121663691 1 0 1 535 8.99213688439543 0.883346218445273 0.536494486241192
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3250 M395T3889 M395T64.8 395 395 395 64.8187716917835 64.8187716917835 64.8187716917835 1 0 1 2238 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3251 M395T3277 M395T54.6 395 395 395 54.6180701143941 54.6180701143941 54.6180701143941 1 0 1 1216 2.5835717486742 0.571614182559354 0.650908332866763
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3252 M395T2967 M395T49.5 395 395 395 49.455262242501 49.455262242501 49.455262242501 1 1 0 3231 Inf -1.49613535147545 0.375092454932164
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3253 M395T3174 M395T52.9 395 395 395 52.8970785626083 52.8970785626083 52.8970785626083 1 1 0 775 2.79328696812766 -1.13549454146186 0.377825067003393
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3254 M395T3948 M395.1T65.8 395.100006103516 395.100006103516 395.100006103516 65.8004117494083 65.8004117494083 65.8004117494083 1 1 0 3736 2.35732842200363 -0.553366515119059 0.66737372877556
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3255 M395T4138 M395.1T69 395.100006103516 395.100006103516 395.100006103516 68.9626554841847 68.9626554841847 68.9626554841847 1 0 1 3952 11.0901335798258 5.88363035654063 0.034560304910102
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3256 M395T3926 M395.1T65.4 395.100006103516 395.100006103516 395.100006103516 65.4366903693912 65.4366903693912 65.4366903693912 1 1 0 2996 2.73486979359014 -0.595773848180761 0.64027751493519
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3257 M395T3703 M395.2T61.7 395.200012207031 395.200012207031 395.200012207031 61.7153730473469 61.6872549806172 61.7434911140765 2 1 1 [60][M]- [M+Cl]- 360.231 [M-H]- 396.207 17 1.12967233840829 0.271535793744289 0.831187823553085
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3258 M395T3716 M395.2T61.9 395.200012207031 395.200012207031 395.200012207031 61.9303679153815 61.927840334887 61.932895495876 2 1 1 [M+Cl]- 360.231 [M-H]- 396.207 17 1.173725978525 0.272315219805615 0.829852051794977
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3259 M395T2533 M395.2T42.2 395.200012207031 395.200012207031 395.200012207031 42.2237847480001 42.2237847480001 42.2237847480001 1 0 1 [M-H-HF]- 416.225 5889 2.09829867674861 0.472507504305604 0.698519785599735
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3260 M395T2879 M395.2T48 395.200012207031 395.200012207031 395.200012207031 47.9846601244148 47.9846601244148 47.9846601244148 1 1 0 4731 3.65634330699065 -5.0161054012118 0.0402355670817403
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3261 M395T3504 M395.3T58.4 395.300018310547 395.300018310547 395.300018310547 58.3941287848805 58.3941287848805 58.3941287848805 1 0 1 76 1.10607421712424 0.0859064718808039 0.941781934961242
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3262 M395T3613 M395.3T60.2 395.300018310547 395.300018310547 395.300018310547 60.2162365601659 60.2162365601659 60.2162365601659 1 0 1 2585 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3263 M395T3380 M395.3T56.3 395.300018310547 395.300018310547 395.300018310547 56.3366023239372 56.3366023239372 56.3366023239372 1 0 1 1568 2.32751696035869 1.26418885608482 0.398002933771838
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3264 M395T3399 M395.3T56.6 395.300018310547 395.300018310547 395.300018310547 56.645586194344 56.645586194344 56.645586194344 1 1 0 484 13.4587588202073 -1.18390303836686 0.443803997766905
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3265 M395T3200 M395.3T53.3 395.300018310547 395.300018310547 395.300018310547 53.3404618054631 53.3404618054631 53.3404618054631 1 0 1 1744 Inf 4.09415429762398 0.152508803345113
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3266 M395T3978 M395.3T66.3 395.300018310547 395.300018310547 395.300018310547 66.297163447162 66.297163447162 66.297163447162 1 1 0 2073 11.1990434661032 -1.07508279482708 0.476971316173223
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3267 M395T3758 M395.3T62.6 395.300018310547 395.300018310547 395.300018310547 62.6351257138066 62.6351257138066 62.6351257138066 1 0 1 948 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3268 M395T3307 M395.4T55.1 395.399993896484 395.399993896484 395.399993896484 55.1216253022568 55.0503369337869 55.1929136707268 2 1 1 536 2.44725119859931 0.547438331960207 0.661922268712949
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3269 M395T3519 M395.4T58.6 395.399993896484 395.399993896484 395.399993896484 58.6494711751273 58.5734461135727 58.7254962366818 2 1 1 403 1.25118870290425 -0.156825385846273 0.890398949436028
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3270 M395T4121 M395.4T68.7 395.399993896484 395.399993896484 395.399993896484 68.678243954488 68.678243954488 68.678243954488 1 0 1 1724 Inf 5.30549020127022 0.11860121870689
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3271 M395T3894 M395.4T64.9 395.399993896484 395.399993896484 395.399993896484 64.8976196108427 64.8976196108427 64.8976196108427 1 0 1 4901 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3272 M395T4135 M395.4T68.9 395.399993896484 395.399993896484 395.399993896484 68.9111583876206 68.9111583876206 68.9111583876206 1 1 0 3977 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3273 M395T4091 M395.4T68.2 395.399993896484 395.399993896484 395.399993896484 68.1872389481614 68.1872389481614 68.1872389481614 1 0 1 4978 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3274 M396T3425 M395.9T57.1 395.899993896484 395.899993896484 395.899993896484 57.0830669810423 57.0830669810423 57.0830669810423 1 0 1 871 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3275 M396T2897 M396T48.3 396 396 396 48.2777820327918 48.2777820327918 48.2777820327918 1 0 1 95 6.62791796481213 5.61270406617515 0.110372880577901
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3276 M396T3396 M396T56.6 396 396 396 56.5988172147845 56.5988172147845 56.5988172147845 1 1 0 485 5.75162520399198 -0.813925745936143 0.558705995696858
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3277 M396T3305 M396.1T55.1 396.100006103516 396.100006103516 396.100006103516 55.0760878083987 55.0760878083987 55.0760878083987 1 0 1 5387 5.36430357028179 1.55888069974147 0.356918364019988
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3278 M396T3337 M396.1T55.6 396.100006103516 396.100006103516 396.100006103516 55.6176931945718 55.6176931945718 55.6176931945718 1 0 1 15 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3279 M396T3747 M396.1T62.5 396.100006103516 396.100006103516 396.100006103516 62.4533251018023 62.4533251018023 62.4533251018023 1 0 1 1032 6.85066262008051 0.845072929635874 0.548616736350316
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3280 M396T3328 M396.2T55.5 396.200012207031 396.200012207031 396.200012207031 55.4585908784443 55.4555890568 55.539442159859 5 2 2 [61][M]- [M-H-C2F4]- 497.207 15 1.13367920620034 -0.323836137873431 0.796065496774932
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3281 M396T3864 M396.2T64.4 396.200012207031 396.200012207031 396.200012207031 64.3957848434781 64.2965273024001 64.3957848434781 3 2 0 [M-H-CH2O]- 427.212 21 6.51085636744037 -4.18570062298176 0.126058603108255
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3282 M396T3705 M396.2T61.8 396.200012207031 396.200012207031 396.200012207031 61.7542394272582 61.7394357187606 61.7690431357558 2 1 1 [60][M+1]- 17 1.07395031908955 0.225665188663365 0.851354427493292
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3283 M396T3721 M396.2T62 396.200012207031 396.200012207031 396.200012207031 62.0111035508212 62.0111035508212 62.0111035508212 1 0 1 78 1.18132471009846 0.401732044423564 0.756747287201538
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3284 M396T2867 M396.2T47.8 396.200012207031 396.200012207031 396.200012207031 47.7789564285371 47.7789564285371 47.7789564285371 1 1 0 87 1.1882108709239 -0.1885359038211 0.880213840507789
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3285 M396T4099 M396.3T68.3 396.300018310547 396.300018310547 396.300018310547 68.3110839411979 68.3110839411979 68.3110839411979 2 1 0 150 8.930059348604 -1.03815743670812 0.487728778701685
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3286 M396T3070 M396.3T51.2 396.300018310547 396.300018310547 396.300018310547 51.1642719004382 51.1642719004382 51.1642719004382 1 1 0 2430 5.61440217464427 -0.80915194142206 0.560274971138934
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3287 M396T2646 M396.3T44.1 396.300018310547 396.300018310547 396.300018310547 44.1011457645514 44.1011457645514 44.1011457645514 1 1 0 5940 2.83980007139523 -1.10034450922937 0.454381568311901
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3288 M396T3867 M396.3T64.5 396.300018310547 396.300018310547 396.300018310547 64.4542135019796 64.4542135019796 64.4542135019796 1 1 0 [M-H-CH4O]- 429.337 21 2.22826228705341 -1.39481409770522 0.324647274843945
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3289 M396T4023 M396.4T67.1 396.399993896484 396.399993896484 396.399993896484 67.0559865851753 67.0559865851753 67.0559865851753 1 1 0 [3M-H+Cl]2- 252.936 185 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3290 M396T4010 M396.4T66.8 396.399993896484 396.399993896484 396.399993896484 66.833385720542 66.833385720542 66.833385720542 1 1 0 5218 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3291 M396T2676 M396.4T44.6 396.399993896484 396.399993896484 396.399993896484 44.599960479579 44.599960479579 44.599960479579 1 0 1 652 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3292 M396T2924 M396.4T48.7 396.399993896484 396.399993896484 396.399993896484 48.7280350565451 48.7280350565451 48.7280350565451 1 1 0 2864 1.1988684189003 -0.127383336434789 0.910620357966585
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3293 M396T4139 M396.4T69 396.399993896484 396.399993896484 396.399993896484 68.9901597969697 68.9901597969697 68.9901597969697 1 1 0 4225 2.58498801367109 -0.605675240384528 0.649399844150233
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3294 M396T3900 M396.5T65 396.5 396.5 396.5 65.0027518857316 65.0027518857316 65.0027518857316 1 0 1 4834 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3295 M397T3305 M396.9T55.1 396.899993896484 396.899993896484 396.899993896484 55.0876980085848 55.0876980085848 55.0876980085848 1 1 0 537 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3296 M397T2520 M396.9T42 396.899993896484 396.899993896484 396.899993896484 41.9985162432725 41.9985162432725 41.9985162432725 1 1 0 147 1.70244151588498 -0.488147086921283 0.673767814757632
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3297 M397T2662 M396.9T44.4 396.899993896484 396.899993896484 396.899993896484 44.3707216271742 44.3707216271742 44.3707216271742 1 0 1 2265 4.13068456318622 0.73663054121793 0.585064430691331
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3298 M397T3916 M397T65.3 397 397 397 65.2717967632908 65.2717967632908 65.2717967632908 1 1 0 5140 1.10779784703068 -0.0722318788074519 0.949051350648928
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3299 M397T3289 M397T54.8 397 397 397 54.8239789441948 54.8239789441948 54.8239789441948 1 1 0 2110 1.30822192112975 0.187181600223521 0.869830197970126
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3300 M397T4023 M397T67 397 397 397 67.0484207620529 67.0484207620529 67.0484207620529 1 0 1 5575 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3301 M397T3024 M397T50.4 397 397 397 50.4017565928705 50.4017565928705 50.4017565928705 1 0 1 2129 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3302 M397T3400 M397T56.7 397 397 397 56.6702028061549 56.6702028061549 56.6702028061549 1 0 1 1323 1.0185124241072 0.0129696602007356 0.990829801765614
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3303 M397T3820 M397T63.7 397 397 397 63.6622481077053 63.6622481077053 63.6622481077053 1 0 1 1883 7.19312430994229 0.85277697058155 0.546155821827288
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3304 M397T3054 M397.1T50.9 397.100006103516 397.100006103516 397.100006103516 50.8984790615334 50.8984790615334 50.8984790615334 1 0 1 3478 1.72105829341155 0.926642589661782 0.476702189832472
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3305 M397T2720 M397.2T45.3 397.200012207031 397.200012207031 397.200012207031 45.3364448406363 45.3364448406363 45.3364448406363 1 1 0 2487 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3306 M397T3324 M397.2T55.4 397.200012207031 397.200012207031 397.200012207031 55.4030801132421 55.4030801132421 55.4030801132421 1 1 0 [61][M+1]- 15 1.35746981429669 -0.638288321371284 0.594842581631396
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3307 M397T2872 M397.2T47.9 397.200012207031 397.200012207031 397.200012207031 47.8683258748499 47.8683258748499 47.8683258748499 1 1 0 4759 6.27969768360231 -1.7918425701081 0.3187967975587
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3308 M397T3595 M397.3T59.9 397.300018310547 397.300018310547 397.300018310547 59.9155707323389 59.9155707323389 59.9155707323389 1 0 1 1453 6.88600604693437 0.845904645915694 0.548350469353861
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3309 M397T2879 M397.3T48 397.300018310547 397.300018310547 397.300018310547 47.9815888070373 47.9815888070373 47.9815888070373 1 0 1 4732 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3310 M397T4144 M397.4T69.1 397.399993896484 397.399993896484 397.399993896484 69.0686510330055 69.0686510330055 69.0686510330055 1 1 0 5831 7.57461084122297 -0.860513348019795 0.543696232582406
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3311 M397T3997 M397.4T66.6 397.399993896484 397.399993896484 397.399993896484 66.6217496555421 66.6217496555421 66.6217496555421 1 1 0 5441 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3312 M398T2921 M397.8T48.7 397.800018310547 397.800018310547 397.800018310547 48.6765065630123 48.6765065630123 48.6765065630123 1 1 0 [M-H-C2H4O2]- 458.83 60 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3313 M398T3889 M398T64.8 398 398 398 64.8187716917835 64.8187716917835 64.8187716917835 1 0 1 2239 1.99081391752713 0.444738864338033 0.713037476857564
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3314 M398T2537 M398T42.3 398 398 398 42.2759514146668 42.2759514146668 42.2759514146668 1 0 1 5779 1.16095749423155 -0.157147135516661 0.893811286481207
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3315 M398T4139 M398T69 398 398 398 68.9899337519259 68.9899337519259 68.9899337519259 1 1 0 4226 Inf -1.50372647802892 0.373605383520139
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3316 M398T3661 M398.1T61 398.100006103516 398.100006103516 398.100006103516 61.0149726434676 61.0149726434676 61.0149726434676 1 0 1 446 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3317 M398T4102 M398.1T68.4 398.100006103516 398.100006103516 398.100006103516 68.3633465806927 68.3633465806927 68.3633465806927 1 1 0 5811 1.59889386679293 -0.317570976002632 0.785868722582561
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3318 M398T4133 M398.1T68.9 398.100006103516 398.100006103516 398.100006103516 68.8857603089572 68.8857603089572 68.8857603089572 1 1 0 1493 Inf -1.83550861925991 0.317576745780816
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3319 M398T3552 M398.1T59.2 398.100006103516 398.100006103516 398.100006103516 59.1939723812421 59.1939723812421 59.1939723812421 1 1 0 2320 2.75016792359401 -0.745133795074393 0.56982776595364
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3320 M398T4024 M398.1T67.1 398.100006103516 398.100006103516 398.100006103516 67.0712981579364 67.0712981579364 67.0712981579364 1 1 0 185 1.57139681267718 -0.536578429813682 0.653315030485453
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3321 M398T3461 M398.2T57.7 398.200012207031 398.200012207031 398.200012207031 57.6778499237897 57.6778499237897 57.6778499237897 1 1 0 [M+Cl]- 363.237 [M-2H+Na]- 377.212 [M-H-NaOH]- 439.205 19 3.00725547691583 -0.654928591665893 0.61581000727127
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3322 M398T4045 M398.2T67.4 398.200012207031 398.200012207031 398.200012207031 67.420518186382 67.420518186382 67.420518186382 1 0 1 106 1.71258900841023 -0.725600121125831 0.554896269502624
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3323 M398T3656 M398.2T60.9 398.200012207031 398.200012207031 398.200012207031 60.9325563253092 60.9325563253092 60.9325563253092 1 1 0 [M-H-HCNO]- 442.209 47 11.272406812642 -1.02052251495201 0.493319152809832
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3324 M398T3409 M398.2T56.8 398.200012207031 398.200012207031 398.200012207031 56.8245950593786 56.8245950593786 56.8245950593786 1 0 1 2547 1.09563642244657 0.0676188727710764 0.952302096401472
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3325 M398T3389 M398.2T56.5 398.200012207031 398.200012207031 398.200012207031 56.4904722617241 56.4904722617241 56.4904722617241 1 0 1 461 11.649791800207 0.934933939733562 0.520423000738706
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3326 M398T4054 M398.3T67.6 398.300018310547 398.300018310547 398.300018310547 67.5667034025519 67.4935162561624 67.657565449106 3 2 1 [M-H-NaOH]- 439.305 [M-H-NCO]- 441.307 77 17.740416891169 -4.25235805679641 0.123824748291033
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3327 M398T2861 M398.3T47.7 398.300018310547 398.300018310547 398.300018310547 47.6800257773271 47.6800257773271 47.6800257773271 1 0 1 3638 4.35352737099907 1.87448391528047 0.219207582122267
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3328 M398T3891 M398.3T64.9 398.300018310547 398.300018310547 398.300018310547 64.8557397281843 64.8557397281843 64.8557397281843 1 0 1 4902 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3329 M398T3945 M398.4T65.7 398.399993896484 398.399993896484 398.399993896484 65.7483373156142 65.7483373156142 65.7483373156142 1 1 0 3737 6.32162379327197 -0.831474005785515 0.55299220999949
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3330 M398T3571 M398.4T59.5 398.399993896484 398.399993896484 398.399993896484 59.5181671425825 59.5181671425825 59.5181671425825 1 1 0 1642 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3331 M398T3188 M398.4T53.1 398.399993896484 398.399993896484 398.399993896484 53.1329803707082 53.1329803707082 53.1329803707082 1 1 0 2195 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3332 M399T3288 M399T54.8 399 399 399 54.7925197533959 54.7925197533959 54.7925197533959 1 0 1 2111 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3333 M399T3939 M399T65.6 399 399 399 65.644323225657 65.644323225657 65.644323225657 1 1 0 4127 Inf -1.50951922366074 0.372477591230611
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3334 M399T2800 M399.1T46.7 399.100006103516 399.100006103516 399.100006103516 46.6639896993672 46.6582065040879 46.6697728946465 2 1 1 98 1.05124887072594 0.0532182542337498 0.962454468658792
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3335 M399T3142 M399.1T52.4 399.100006103516 399.100006103516 399.100006103516 52.3605456595381 52.3605456595381 52.3605456595381 1 0 1 3110 1.74252225431464 4.65371763085684 0.115005188574214
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3336 M399T4149 M399.2T69.1 399.200012207031 399.200012207031 399.200012207031 69.1468068575433 69.1468068575433 69.1468068575433 1 1 0 6181 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3337 M399T2854 M399.2T47.6 399.200012207031 399.200012207031 399.200012207031 47.5723129114763 47.5723129114763 47.5723129114763 1 1 0 4259 2.42941057565217 -3.54780728078651 0.173573099789267
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3338 M399T2810 M399.2T46.8 399.200012207031 399.200012207031 399.200012207031 46.8328732615757 46.8328732615757 46.8328732615757 1 1 0 202 1.56031644721336 -0.302340330537646 0.795242081090513
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3339 M399T4048 M399.3T67.5 399.300018310547 399.300018310547 399.300018310547 67.4671591808225 67.4671591808225 67.7098640082259 3 2 0 4115 23.3588706523741 -1.77851332124658 0.325565727428818
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3340 M399T2869 M399.3T47.8 399.300018310547 399.300018310547 399.300018310547 47.820059232053 47.820059232053 47.820059232053 1 0 1 3647 3.02344042662242 0.635398111519312 0.623625983514867
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3341 M399T2753 M399.3T45.9 399.300018310547 399.300018310547 399.300018310547 45.8753003321848 45.8753003321848 45.8753003321848 1 0 1 4352 Inf 1.65095237863251 0.346708335320537
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3342 M399T3748 M399.3T62.5 399.300018310547 399.300018310547 399.300018310547 62.4656347411346 62.4656347411346 62.4656347411346 1 1 0 1052 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3343 M399T3169 M399.3T52.8 399.300018310547 399.300018310547 399.300018310547 52.8173454554494 52.8173454554494 52.8173454554494 1 0 1 776 6.79206153636092 1.14718663196524 0.445060110614414
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3344 M399T3331 M399.3T55.5 399.300018310547 399.300018310547 399.300018310547 55.5127172407738 55.5127172407738 55.5127172407738 1 1 0 1110 2.81840988969856 -0.608050463802239 0.635016125961537
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3345 M399T2726 M399.3T45.4 399.300018310547 399.300018310547 399.300018310547 45.4414202016962 45.4414202016962 45.4414202016962 1 0 1 2488 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3346 M399T4116 M399.4T68.6 399.399993896484 399.399993896484 399.399993896484 68.5984869938564 68.5984869938564 68.5984869938564 2 1 0 2306 3.74525047297265 -0.708185875901741 0.595374687980033
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3347 M400T2877 M399.8T47.9 399.800018310547 399.800018310547 399.800018310547 47.9467855749734 47.9467855749734 47.9467855749734 1 1 0 4733 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3348 M400T2700 M399.9T45 399.899993896484 399.899993896484 399.899993896484 45.0066297489416 45.0066297489416 45.0066297489416 1 0 1 136 3.8444517624085 44.2796793740201 0.000513405893727059
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3349 M400T2885 M399.9T48.1 399.899993896484 399.899993896484 399.899993896484 48.0893577943672 48.0893577943672 48.0893577943672 1 0 1 5660 3.4413348741727 0.681236229954648 0.605504365305692
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3350 M400T2521 M399.9T42 399.899993896484 399.899993896484 399.899993896484 42.0245995766058 42.0245995766058 42.0245995766058 1 1 0 5051 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3351 M400T2591 M399.9T43.2 399.899993896484 399.899993896484 399.899993896484 43.1771047793471 43.1771047793471 43.1771047793471 1 1 0 2892 2.42493278327503 -0.543238726279677 0.66387448601805
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3352 M400T3274 M400T54.6 400 400 400 54.5639848492577 54.5639848492577 54.5639848492577 1 1 0 [M+Cl]- 365.025 [M-H-CH4]- 417.033 [M-H-C2N2]- 453.009 145 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3353 M400T4246 M400T70.8 400 400 400 70.7714290738671 70.7714290738671 70.7714290738671 1 0 1 326 Inf 2.46627565982419 0.245234025325714
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3354 M400T3555 M400T59.3 400 400 400 59.2530825495194 59.2530825495194 59.2530825495194 1 1 0 186 3.02563774805626 -1.59606560015207 0.258597384920376
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3355 M400T3795 M400T63.2 400 400 400 63.2491480229281 63.2491480229281 63.2491480229281 1 1 0 5405 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3356 M400T2780 M400.1T46.3 400.100006103516 400.100006103516 400.100006103516 46.3303738677687 46.2937117304691 46.3670360050683 2 1 1 112 1.27733555230096 -0.41394112508734 0.749521978827588
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3357 M400T4229 M400.1T70.5 400.100006103516 400.100006103516 400.100006103516 70.4826703793839 70.4826703793839 70.4826703793839 1 1 0 5422 Inf -1.10912544655547 0.467090850409481
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3358 M400T4086 M400.1T68.1 400.100006103516 400.100006103516 400.100006103516 68.1020184864605 68.1020184864605 68.1020184864605 1 1 0 4979 51.7476674779967 -0.980492398045952 0.506173205737115
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3359 M400T3927 M400.1T65.5 400.100006103516 400.100006103516 400.100006103516 65.4568296282313 65.4568296282313 65.4568296282313 1 0 1 2956 Inf 1.21903254094576 0.437364495755912
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3360 M400T3450 M400.1T57.5 400.100006103516 400.100006103516 400.100006103516 57.4997383116129 57.4997383116129 57.4997383116129 1 0 1 [M-H-NCO]- 443.107 74 1.09323817021592 -0.0629302841233888 0.955585589836258
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3361 M400T2802 M400.1T46.7 400.100006103516 400.100006103516 400.100006103516 46.6963068987933 46.6963068987933 46.6963068987933 1 1 0 5175 1.10785817322146 0.321388296482622 0.789143376804286
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3362 M400T4330 M400.1T72.2 400.100006103516 400.100006103516 400.100006103516 72.1727233598261 72.1727233598261 72.1727233598261 1 1 0 6119 42.1184210526351 -2.39424240233025 0.250522372102746
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3363 M400T3821 M400.2T63.7 400.200012207031 400.200012207031 400.200012207031 63.6771383547066 63.6501075428819 63.7041691665313 2 1 1 [62][M]- 1866 1.05116891123303 0.0354468527641635 0.974949138304042
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3364 M400T4449 M400.2T74.2 400.200012207031 400.200012207031 400.200012207031 74.1550066931594 74.1550066931594 74.1550066931594 1 1 0 258 5.57629629629706 -1.08345788712306 0.459084960185751
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3365 M400T4462 M400.2T74.4 400.200012207031 400.200012207031 400.200012207031 74.3708124072004 74.3708124072004 74.3708124072004 1 0 1 5900 2.98159509202448 -0.660862488850085 0.626231732805632
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3366 M400T4136 M400.2T68.9 400.200012207031 400.200012207031 400.200012207031 68.9374216510452 68.9374216510452 68.9374216510452 1 1 0 [M+Cl]- 365.23 99 51.35520485105 -1.12277312029811 0.463150920895288
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3367 M400T4116 M400.2T68.6 400.200012207031 400.200012207031 400.200012207031 68.5961683990104 68.5961683990104 68.5961683990104 1 1 0 [M-H]- 401.21 43 36.8365661658573 -1.15397155531866 0.454520214101594
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3368 M400T3744 M400.2T62.4 400.200012207031 400.200012207031 400.200012207031 62.4013598181144 62.4013598181144 62.4013598181144 1 0 1 [M-H-N2O]- 445.212 [M-H-CONH2]- 445.212 14 95.9555053365036 1.00094788091685 0.499689705541168
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3369 M400T3856 M400.2T64.3 400.200012207031 400.200012207031 400.200012207031 64.2640666387519 64.2640666387519 64.2640666387519 1 1 0 21 1.69279898103758 -0.354567947098627 0.763608627702838
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3370 M400T4176 M400.2T69.6 400.200012207031 400.200012207031 400.200012207031 69.5927325930257 69.5927325930257 69.5927325930257 1 1 0 [M-H-C2H2]- 427.211 115 118.325720846012 -1.06485288204224 0.480001770769116
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3371 M400T4209 M400.2T70.1 400.200012207031 400.200012207031 400.200012207031 70.1423554230828 70.1423554230828 70.1423554230828 1 1 0 [M-H-C2H2]- 427.211 140 418.091907766458 -1.02301339781697 0.492756629267469
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3372 M400T3101 M400.3T51.7 400.300018310547 400.300018310547 400.300018310547 51.6759344793926 51.6759344793926 51.6759344793926 1 0 1 3137 Inf 2.20023452293926 0.271573934417922
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3373 M400T4069 M400.3T67.8 400.300018310547 400.300018310547 400.300018310547 67.814545573438 67.814545573438 67.814545573438 1 0 1 3853 2.62974904638211 0.579267766900154 0.647500383408103
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3374 M400T2848 M400.3T47.5 400.300018310547 400.300018310547 400.300018310547 47.4675587098144 47.4675587098144 47.4675587098144 1 1 0 5632 6.38730041925395 -0.833288689596351 0.552405843791848
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3375 M400T3691 M400.3T61.5 400.300018310547 400.300018310547 400.300018310547 61.5144663077954 61.5144663077954 61.5144663077954 1 0 1 596 Inf 1 0.5
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3376 M400T3024 M400.3T50.4 400.300018310547 400.300018310547 400.300018310547 50.403355412142 50.403355412142 50.403355412142 1 0 1 2145 Inf 1 0.5
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3377 M400T3943 M400.3T65.7 400.300018310547 400.300018310547 400.300018310547 65.7123885813693 65.7123885813693 65.7123885813693 1 0 1 4152 3.2216637483672 2.22056795381908 0.268984558945025
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3378 M400T3620 M400.3T60.3 400.300018310547 400.300018310547 400.300018310547 60.3365085272724 60.3365085272724 60.3365085272724 1 1 0 2561 Inf -1 0.5
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3379 M400T2655 M400.3T44.3 400.300018310547 400.300018310547 400.300018310547 44.25239913927 44.25239913927 44.25239913927 1 1 0 220 3.06116094572167 -3.45871494176302 0.146887709832079
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3380 M400T4214 M400.5T70.2 400.5 400.5 400.5 70.2266944485552 70.2266944485552 70.2266944485552 1 0 1 5320 Inf 1 0.5
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3381 M401T2715 M401T45.3 401 401 401 45.2583122548205 45.1820594489337 45.3345650607074 2 1 1 2489 1.84298462498857 -0.610134847555244 0.603987720698948
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3382 M401T4074 M401T67.9 401 401 401 67.8933246007054 67.8933246007054 67.8933246007054 1 0 1 3889 Inf 1 0.5
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3383 M401T3404 M401T56.7 401 401 401 56.728532551764 56.728532551764 56.728532551764 1 1 0 1324 2.71517928727318 0.592774842095397 0.641577066605215
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3384 M401T3131 M401T52.2 401 401 401 52.1756420457645 52.1756420457645 52.1756420457645 1 1 0 4996 2.8072529525966 -0.60645153250025 0.635696097270168
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3385 M401T3332 M401.1T55.5 401.100006103516 401.100006103516 401.100006103516 55.5389824886873 55.5127172407738 55.5652477366008 2 1 1 [M-2H+Na]- 380.112 15 1.31791657453799 -1.00336115307435 0.491553714084083
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3386 M401T3773 M401.1T62.9 401.100006103516 401.100006103516 401.100006103516 62.8752999292865 62.8752999292865 62.8752999292865 1 1 0 985 3.19379100202712 -0.911892297930605 0.491251724948467
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3387 M401T3550 M401.1T59.2 401.100006103516 401.100006103516 401.100006103516 59.1686352975791 59.1686352975791 59.1686352975791 1 0 1 2341 1.24259518642398 -0.216766172152842 0.864104141742959
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3388 M401T3742 M401.2T62.4 401.200012207031 401.200012207031 401.200012207031 62.3721746432928 62.3426838656814 62.4273437838414 3 1 2 [63][M]- [M-H-HCNO]- 445.212 14 4.3164285004525 0.891288313271373 0.532988280954135
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3389 M401T3829 M401.2T63.8 401.200012207031 401.200012207031 401.200012207031 63.8113495790108 63.8113495790108 63.8113495790108 1 1 0 [62][M+1]- 1855 1.02096247810547 0.0157122657559939 0.988890811930516
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3390 M401T2742 M401.2T45.7 401.200012207031 401.200012207031 401.200012207031 45.6976747235126 45.6976747235126 45.6976747235126 1 1 0 122 4.21384990805423 -1.14277707213582 0.456240607768196
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3391 M401T4222 M401.3T70.4 401.300018310547 401.300018310547 401.300018310547 70.3729999974995 70.3729999974995 70.3729999974995 1 1 0 5987 Inf -2.09746374053051 0.283224803743957
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3392 M401T4012 M401.3T66.9 401.300018310547 401.300018310547 401.300018310547 66.8728582143193 66.8728582143193 66.8728582143193 1 1 0 5219 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3393 M401T4186 M401.3T69.8 401.300018310547 401.300018310547 401.300018310547 69.7594004709831 69.7594004709831 69.7594004709831 1 0 1 6062 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3394 M401T4146 M401.3T69.1 401.300018310547 401.300018310547 401.300018310547 69.1018003546855 69.1018003546855 69.1018003546855 1 0 1 5615 1.55559845860553 0.553263262900968 0.677049104134027
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3395 M402T2790 M401.9T46.5 401.899993896484 401.899993896484 401.899993896484 46.4920429574181 46.4920429574181 46.4920429574181 1 0 1 913 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3396 M402T3377 M401.9T56.3 401.899993896484 401.899993896484 401.899993896484 56.2853419111995 56.2853419111995 56.2853419111995 1 0 1 1569 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3397 M402T3096 M402T51.6 402 402 402 51.6009072861989 51.6009072861989 51.6009072861989 1 1 0 5366 1.66953899927713 -0.344038905888569 0.769892149282128
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3398 M402T3449 M402T57.5 402 402 402 57.4864308912045 57.4864308912045 57.4864308912045 1 1 0 3337 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3399 M402T3642 M402T60.7 402 402 402 60.6997102365028 60.6997102365028 60.6997102365028 1 1 0 1522 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3400 M402T2684 M402.1T44.7 402.100006103516 402.100006103516 402.100006103516 44.734431164126 44.734431164126 44.734431164126 1 0 1 [M-H+NaCOOH]- 335.127 6 1.12108411327777 0.76471238916943 0.531718913140346
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3401 M402T2748 M402.2T45.8 402.200012207031 402.200012207031 402.200012207031 45.8005159245743 45.8005159245743 45.8005159245743 1 0 1 4353 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3402 M402T2636 M402.2T43.9 402.200012207031 402.200012207031 402.200012207031 43.9352477226923 43.9352477226923 43.9352477226923 1 0 1 2649 1.1445312240349 -0.111284542908077 0.921861408161809
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3403 M402T2727 M402.2T45.4 402.200012207031 402.200012207031 402.200012207031 45.4473527826571 45.4473527826571 45.4473527826571 1 0 1 2452 2.9220510150673 0.62233976533412 0.629008669817041
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3404 M402T3742 M402.2T62.4 402.200012207031 402.200012207031 402.200012207031 62.3721746432928 62.3721746432928 62.3721746432928 1 1 0 [63][M+1]- 14 2.00187277935026 0.689994086411245 0.593401693659969
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3405 M402T4288 M402.3T71.5 402.300018310547 402.300018310547 402.300018310547 71.4738037127173 71.4738037127173 71.4738037127173 1 1 0 290 8.74358974358905 -0.879894516228095 0.537578430475978
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3406 M402T2834 M402.3T47.2 402.300018310547 402.300018310547 402.300018310547 47.2334779756979 47.2334779756979 47.2334779756979 1 0 1 4580 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3407 M402T3404 M402.3T56.7 402.300018310547 402.300018310547 402.300018310547 56.728532551764 56.728532551764 56.728532551764 1 1 0 1325 2.56539136494568 -1.56203146418603 0.361003909667766
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3408 M402T3761 M402.3T62.7 402.300018310547 402.300018310547 402.300018310547 62.6892893594409 62.6892893594409 62.6892893594409 1 1 0 986 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3409 M403T2721 M402.9T45.3 402.899993896484 402.899993896484 402.899993896484 45.3473291122823 45.3473291122823 45.3473291122823 1 1 0 2490 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3410 M403T3542 M403T59 403 403 403 59.0375558699693 59.0150596340257 59.0600521059129 2 2 0 2322 7.79961114811878 -4.33568312349983 0.0523949477071741
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3411 M403T3952 M403T65.9 403 403 403 65.8749118479471 65.8749118479471 65.8749118479471 1 0 1 5458 Inf 1 0.5
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3412 M403T3276 M403T54.6 403 403 403 54.591808217395 54.591808217395 54.591808217395 1 0 1 5015 2.78887604163726 0.641332213693328 0.63690843360342
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3413 M403T3616 M403T60.3 403 403 403 60.2690255167973 60.2690255167973 60.2690255167973 1 0 1 2586 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3414 M403T4105 M403.1T68.4 403.100006103516 403.100006103516 403.100006103516 68.4186309663329 68.4186309663329 68.4186309663329 1 0 1 5651 1.26412501739518 -0.260251989523406 0.819549579626107
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3415 M403T3417 M403.1T56.9 403.100006103516 403.100006103516 403.100006103516 56.9444770682723 56.9444770682723 56.9444770682723 1 0 1 872 1.85916141447875 0.429339245384373 0.718442496768844
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3416 M403T2949 M403.1T49.2 403.100006103516 403.100006103516 403.100006103516 49.1549400310025 49.1549400310025 49.1549400310025 1 1 0 70 1.26602343816674 -1.74321950238611 0.252279402367691
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3417 M403T3874 M403.2T64.6 403.200012207031 403.200012207031 403.200012207031 64.5690856470543 64.4804987181726 64.657672575936 2 2 0 55 4.37521439053895 -0.852226446618038 0.541135128498305
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3418 M403T2741 M403.2T45.7 403.200012207031 403.200012207031 403.200012207031 45.679628292913 45.679628292913 45.679628292913 1 0 1 4432 8.23402520078684 7.01588861703048 0.0725073415536692
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3419 M403T3432 M403.2T57.2 403.200012207031 403.200012207031 403.200012207031 57.2074214757873 57.2074214757873 57.2074214757873 1 0 1 4916 13.8292721856576 0.943626719496074 0.517099119485517
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3420 M403T2589 M403.2T43.2 403.200012207031 403.200012207031 403.200012207031 43.1510381126804 43.1510381126804 43.1510381126804 1 1 0 2893 1.39242126001484 0.228910008225674 0.842112406484989
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3421 M403T3081 M403.3T51.3 403.300018310547 403.300018310547 403.300018310547 51.3454925123236 51.3454925123236 51.3454925123236 1 0 1 3535 Inf 1.14330256048463 0.457498457498084
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3422 M403T4121 M403.3T68.7 403.300018310547 403.300018310547 403.300018310547 68.6813180349399 68.6813180349399 68.6813180349399 1 0 1 1725 3.00667956227041 -0.633298606848905 0.624484597946285
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3423 M403T3194 M403.3T53.2 403.300018310547 403.300018310547 403.300018310547 53.2335336651218 53.2335336651218 53.2335336651218 1 0 1 1756 Inf 1 0.5
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3424 M403T3902 M403.4T65 403.399993896484 403.399993896484 403.399993896484 65.0340256313823 65.0340256313823 65.0340256313823 1 1 0 4835 Inf -1 0.5
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3425 M403T4059 M403.4T67.7 403.399993896484 403.399993896484 403.399993896484 67.657565449106 67.657565449106 67.657565449106 1 1 0 4698 Inf -1 0.5
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3426 M404T3388 M403.5T56.5 403.5 403.5 403.5 56.4654670360758 56.4654670360758 56.4654670360758 1 1 0 486 Inf -1 0.5
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3427 M404T3820 M403.8T63.7 403.800018310547 403.800018310547 403.800018310547 63.6622481077053 63.6622481077053 63.6622481077053 1 0 1 1884 Inf 1 0.5
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3428 M404T2536 M403.9T42.3 403.899993896484 403.899993896484 403.899993896484 42.2617944711501 42.2617944711501 42.2617944711501 1 0 1 5780 2.36779552715666 0.532153492805497 0.669083496633085
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3429 M404T4050 M403.9T67.5 403.899993896484 403.899993896484 403.899993896484 67.5006719227627 67.5006719227627 67.5006719227627 1 1 0 3426 4.0702382161549 -0.732529739445586 0.58652808653697
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3430 M404T4135 M403.9T68.9 403.899993896484 403.899993896484 403.899993896484 68.9109701073071 68.9109701073071 68.9109701073071 1 0 1 3978 Inf 1 0.5
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3431 M404T3427 M403.9T57.1 403.899993896484 403.899993896484 403.899993896484 57.1242122689313 57.1242122689313 57.1242122689313 1 1 0 5267 5.22858283283711 -0.794345872542935 0.565184813964392
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3432 M404T4121 M404T68.7 404 404 404 68.6768514208518 68.6768514208518 68.6768514208518 1 1 0 1726 4.26638252485235 -0.745407205075723 0.581956400401597
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3433 M404T2676 M404T44.6 404 404 404 44.5958585139398 44.5958585139398 44.5958585139398 1 1 0 6 2.81864067433224 -0.608083409499254 0.635002131807074
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3434 M404T3954 M404T65.9 404 404 404 65.9068659635501 65.9068659635501 65.9068659635501 1 1 0 5466 Inf -1.17867826550606 0.447905978229027
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3435 M404T3574 M404T59.6 404 404 404 59.5631764964595 59.5631764964595 59.5631764964595 1 0 1 1667 Inf 1 0.5
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3436 M404T3904 M404.1T65.1 404.100006103516 404.100006103516 404.100006103516 65.0737610452387 65.0737610452387 65.0737610452387 1 1 0 [M-H-HCN]- 432.11 135 2.73997694722018 -0.621453248236151 0.639065538181551
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3437 M404T2691 M404.1T44.8 404.100006103516 404.100006103516 404.100006103516 44.8428547027469 44.8428547027469 44.8428547027469 1 0 1 [M-H-C5H12]- 477.206 6 1.04508800711016 -0.40984827665042 0.722931031806563
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3438 M404T2584 M404.2T43.1 404.200012207031 404.200012207031 404.200012207031 43.0727881126804 43.0727881126804 43.0727881126804 1 1 0 201 18.8768157146366 -0.945698910082661 0.517056533197684
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3439 M404T2740 M404.3T45.7 404.300018310547 404.300018310547 404.300018310547 45.6744743836579 45.6744743836579 45.6744743836579 1 0 1 4433 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3440 M404T3070 M404.3T51.2 404.300018310547 404.300018310547 404.300018310547 51.1608945821892 51.1608945821892 51.1608945821892 1 0 1 2431 9.8296964953393 0.893654917650017 0.533265368110423
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3441 M404T3232 M404.3T53.9 404.300018310547 404.300018310547 404.300018310547 53.859103151994 53.859103151994 53.859103151994 1 0 1 2715 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3442 M404T3705 M404.4T61.8 404.399993896484 404.399993896484 404.399993896484 61.7501466781274 61.7501466781274 61.7501466781274 1 0 1 [M-H-CH5N]- 436.437 17 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3443 M404T4040 M404.4T67.3 404.399993896484 404.399993896484 404.399993896484 67.3353039218979 67.3353039218979 67.3353039218979 1 1 0 5307 3.47947617501011 -0.944020270093979 0.517997368427573
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3444 M404T3773 M404.4T62.9 404.399993896484 404.399993896484 404.399993896484 62.8828014217747 62.8828014217747 62.8828014217747 1 1 0 987 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3445 M404T4125 M404.5T68.8 404.5 404.5 404.5 68.7551909651299 68.7551909651299 68.7551909651299 1 1 0 1494 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3446 M405T3261 M404.9T54.3 404.899993896484 404.899993896484 404.899993896484 54.3457617907021 54.3457617907021 54.3457617907021 1 1 0 3604 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3447 M405T2584 M404.9T43.1 404.899993896484 404.899993896484 404.899993896484 43.0703444711501 43.0703444711501 43.0703444711501 1 0 1 5742 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3448 M405T3171 M404.9T52.8 404.899993896484 404.899993896484 404.899993896484 52.8461856331342 52.8461856331342 52.8461856331342 1 1 0 777 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3449 M405T4096 M405T68.3 405 405 405 68.2647621407645 68.2647621407645 68.2647621407645 1 0 1 5101 5.39254310013564 0.800904203194029 0.563001614051245
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3450 M405T3236 M405T53.9 405 405 405 53.9374787335219 53.9374787335219 53.9374787335219 1 0 1 [M-H-H2O]- 424.026 54 1.28160956781127 0.17323594566139 0.879240906214624
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3451 M405T3592 M405T59.9 405 405 405 59.862915567041 59.862915567041 59.862915567041 1 1 0 1700 2.85077124396868 -0.61262000694064 0.633081502471678
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3452 M405T2925 M405.2T48.7 405.200012207031 405.200012207031 405.200012207031 48.7487567967668 48.7487567967668 48.7487567967668 1 0 1 2871 Inf 1.4073179658315 0.393294612570527
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3453 M405T3717 M405.3T61.9 405.300018310547 405.300018310547 405.300018310547 61.9484675652859 61.9484675652859 61.9484675652859 1 1 0 17 4.42379294663921 -0.754902629039343 0.578630326163003
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3454 M405T3093 M405.3T51.5 405.300018310547 405.300018310547 405.300018310547 51.5451573874517 51.5451573874517 51.5451573874517 1 0 1 166 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3455 M405T3703 M405.3T61.7 405.300018310547 405.300018310547 405.300018310547 61.7204008509936 61.7204008509936 61.7204008509936 1 1 0 1179 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3456 M405T3437 M405.3T57.3 405.300018310547 405.300018310547 405.300018310547 57.2915195942929 57.2915195942929 57.2915195942929 1 0 1 4884 3.53753295179094 0.690267607663376 0.602068546979778
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3457 M405T3650 M405.3T60.8 405.300018310547 405.300018310547 405.300018310547 60.839372157717 60.839372157717 60.839372157717 1 1 0 1538 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3458 M405T3874 M405.4T64.6 405.399993896484 405.399993896484 405.399993896484 64.5594389014952 64.5594389014952 64.5594389014952 1 1 0 2745 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3459 M405T4070 M405.4T67.8 405.399993896484 405.399993896484 405.399993896484 67.8408110616581 67.8408110616581 67.8408110616581 1 0 1 3853 1.59651602490793 0.501611101457077 0.684901970133207
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3460 M405T3359 M405.4T56 405.399993896484 405.399993896484 405.399993896484 55.9814368610224 55.9814368610224 55.9814368610224 1 1 0 731 3.2835854287176 -0.665286918269642 0.611677529449059
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3461 M406T4083 M405.7T68 405.700012207031 405.700012207031 405.700012207031 68.0497403499121 68.0497403499121 68.0497403499121 1 1 0 5736 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3462 M406T3393 M405.8T56.5 405.800018310547 405.800018310547 405.800018310547 56.5425670665022 56.5425670665022 56.5425670665022 1 1 0 500 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3463 M406T4072 M405.9T67.9 405.899993896484 405.899993896484 405.899993896484 67.8667442815185 67.8667442815185 67.8667442815185 1 1 0 3890 2.6087019161843 -0.575811142285632 0.649034880706681
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3464 M406T2805 M405.9T46.8 405.899993896484 405.899993896484 405.899993896484 46.7555364499361 46.7555364499361 46.7555364499361 1 1 0 5184 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3465 M406T3173 M405.9T52.9 405.899993896484 405.899993896484 405.899993896484 52.8906029138105 52.8906029138105 52.8906029138105 1 0 1 750 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3466 M406T2849 M406T47.5 406 406 406 47.4782158020951 47.4782158020951 47.4782158020951 1 1 0 5633 Inf -1.89499018077914 0.309121493033949
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3467 M406T3295 M406T54.9 406 406 406 54.9215301739155 54.9215301739155 54.9215301739155 1 0 1 2594 4.88233525820901 0.946812438756876 0.502775302101017
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3468 M406T3619 M406T60.3 406 406 406 60.3104497552185 60.3104497552185 60.3104497552185 1 1 0 51 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3469 M406T3271 M406T54.5 406 406 406 54.5112362578393 54.5112362578393 54.5112362578393 1 1 0 5471 8.0032479600027 -0.868298899347561 0.541231684460917
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3470 M406T3575 M406T59.6 406 406 406 59.5771690581316 59.5771690581316 59.5771690581316 1 0 1 1668 1.88537438232062 0.599188116036385 0.638650232687355
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3471 M406T2928 M406.2T48.8 406.200012207031 406.200012207031 406.200012207031 48.8002477541488 48.8002477541488 48.8002477541488 1 0 1 3618 1.96310345551251 2.36326231068358 0.19114022008384
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3472 M406T2731 M406.2T45.5 406.200012207031 406.200012207031 406.200012207031 45.5249249622249 45.5249249622249 45.5249249622249 1 0 1 2461 1.34490302712671 0.46549401911189 0.695235165170851
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3473 M406T3564 M406.2T59.4 406.200012207031 406.200012207031 406.200012207031 59.4042647655764 59.4042647655764 59.4042647655764 1 0 1 1669 3.30650193280542 2.37563877770331 0.240768709930216
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3474 M406T4048 M406.2T67.5 406.200012207031 406.200012207031 406.200012207031 67.463174611105 67.463174611105 67.463174611105 1 0 1 4116 1.5750672810331 -0.430627073612019 0.709251106397961
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3475 M406T3957 M406.3T65.9 406.300018310547 406.300018310547 406.300018310547 65.9489450914091 65.9489450914091 65.9489450914091 1 0 1 5395 8.71400853792348 0.87947017176613 0.537711792322993
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3476 M406T3783 M406.3T63.1 406.300018310547 406.300018310547 406.300018310547 63.0552323830999 63.0552323830999 63.0552323830999 1 0 1 3675 1.8409303749361 0.66932255216165 0.576452818849555
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3477 M406T3088 M406.4T51.5 406.399993896484 406.399993896484 406.399993896484 51.4723419567041 51.4723419567041 51.4723419567041 1 1 0 5954 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3478 M406T4076 M406.4T67.9 406.399993896484 406.399993896484 406.399993896484 67.9405315248176 67.9405315248176 67.9405315248176 1 1 0 3852 2.50131745589955 -0.557322107447555 0.657373430386988
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3479 M406T3535 M406.4T58.9 406.399993896484 406.399993896484 406.399993896484 58.9095542399947 58.9095542399947 58.9095542399947 1 1 0 1935 2.65346666783111 -0.583100628197016 0.645807783129238
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3480 M406T3416 M406.4T56.9 406.399993896484 406.399993896484 406.399993896484 56.9277498648291 56.9277498648291 56.9277498648291 1 0 1 873 2.19924034131464 0.496391233625442 0.686446430964384
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3481 M406T3927 M406.5T65.5 406.5 406.5 406.5 65.4569118275977 65.4569118275977 65.4569118275977 1 1 0 2997 9.00995117306412 -0.883586070922568 0.536419219505915
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3482 M406T3399 M406.5T56.7 406.5 406.5 406.5 56.6506000648704 56.6506000648704 56.6506000648704 1 1 0 1326 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3483 M406T3966 M406.5T66.1 406.5 406.5 406.5 66.0922343927749 66.0922343927749 66.0922343927749 1 1 0 2033 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3484 M407T2676 M406.9T44.6 406.899993896484 406.899993896484 406.899993896484 44.6081778319316 44.6081778319316 44.6081778319316 1 0 1 [M-H-HI]- 535.81 6 Inf 18.353634121132 0.0346520435858362
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3485 M407T2696 M406.9T44.9 406.899993896484 406.899993896484 406.899993896484 44.9351875705436 44.9351875705436 44.9351875705436 1 1 0 148 2.01754084271437 -0.451884761680873 0.709252363103743
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3486 M407T4096 M406.9T68.3 406.899993896484 406.899993896484 406.899993896484 68.2647621407645 68.2647621407645 68.2647621407645 1 0 1 5102 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3487 M407T3284 M407T54.7 407 407 407 54.7402631781884 54.7402631781884 54.7402631781884 1 0 1 1225 5.27105461170136 4.2565057517815 0.144328567969868
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3488 M407T3112 M407T51.9 407 407 407 51.8739429217541 51.8739429217541 51.8739429217541 1 0 1 5345 5.24727813241008 0.895661107865735 0.534766172808135
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3489 M407T4088 M407T68.1 407 407 407 68.1297062524763 68.1297062524763 68.1297062524763 1 0 1 4980 8.62952187195846 0.878241667913692 0.538098016192335
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3490 M407T3567 M407T59.5 407 407 407 59.456889751375 59.456889751375 59.456889751375 1 0 1 1670 Inf 1 0.5
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3491 M407T3922 M407T65.4 407 407 407 65.3707090592266 65.3707090592266 65.3707090592266 1 0 1 2998 4.58784442034254 1.18460738315891 0.415223251593089
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3492 M407T4108 M407.1T68.5 407.100006103516 407.100006103516 407.100006103516 68.4711504706088 68.4711504706088 68.4711504706088 1 0 1 [M-H-C3H2O3]- 494.106 43 1.73599963619212 0.532018794998208 0.686443558797869
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3493 M407T2708 M407.2T45.1 407.200012207031 407.200012207031 407.200012207031 45.1415354611485 45.1415354611485 45.1415354611485 1 1 0 5877 7.92207768458586 -15.2275502389651 0.013981284344907
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3494 M407T2949 M407.2T49.1 407.200012207031 407.200012207031 407.200012207031 49.1429891716128 49.1429891716128 49.1429891716128 1 1 0 [M-H]- 408.212 70 3.42635696563303 -1.04425555693909 0.486217387037195
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3495 M407T3789 M407.2T63.1 407.200012207031 407.200012207031 407.200012207031 63.1419887294178 63.1419887294178 63.1419887294178 1 1 0 4455 2.79373736216104 -1.4530774568886 0.355781827769414
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3496 M407T3458 M407.3T57.6 407.300018310547 407.300018310547 407.300018310547 57.6288110220746 57.6288110220746 57.6288110220746 1 0 1 1274 1.05128857104595 0.0353486741144851 0.975019617319876
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3497 M407T4037 M407.3T67.3 407.300018310547 407.300018310547 407.300018310547 67.2891727289647 67.2891727289647 67.2891727289647 1 0 1 3769 2.50061782338147 0.743686472286336 0.55133661886358
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3498 M407T2999 M407.3T50 407.300018310547 407.300018310547 407.300018310547 49.9804000778927 49.9804000778927 49.9804000778927 1 0 1 1822 Inf 1 0.5
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3499 M407T3135 M407.3T52.2 407.300018310547 407.300018310547 407.300018310547 52.2429098507451 52.2429098507451 52.2429098507451 1 0 1 4997 Inf 1 0.5
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3500 M407T4143 M407.3T69 407.300018310547 407.300018310547 407.300018310547 69.0423810881725 69.0423810881725 69.0423810881725 1 1 0 4227 6.38542168590663 -0.833237314150262 0.552422433431349
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3501 M407T2734 M407.3T45.6 407.300018310547 407.300018310547 407.300018310547 45.5684165874147 45.5684165874147 45.5684165874147 1 1 0 2491 5.68158545990517 -0.8115188271184 0.559496239794861
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3502 M407T3507 M407.4T58.5 407.399993896484 407.399993896484 407.399993896484 58.4553891318513 58.4553891318513 58.4553891318513 1 0 1 3377 Inf 1 0.5
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3503 M407T3752 M407.4T62.5 407.399993896484 407.399993896484 407.399993896484 62.5304175417591 62.5304175417591 62.5304175417591 1 1 0 1053 7.00352542964288 -0.848607867330609 0.547486058420937
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3504 M407T3891 M407.4T64.8 407.399993896484 407.399993896484 407.399993896484 64.84928824316 64.84928824316 64.84928824316 1 1 0 2240 4.30767539780598 -0.747966455226424 0.581056270095856
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3505 M408T4009 M407.5T66.8 407.5 407.5 407.5 66.8205274164213 66.8205274164213 66.8205274164213 1 1 0 5220 Inf -1 0.5
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3506 M408T3340 M407.6T55.7 407.600006103516 407.600006103516 407.600006103516 55.665101821984 55.665101821984 55.665101821984 1 1 0 179 Inf -1 0.5
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3507 M408T2528 M407.9T42.1 407.899993896484 407.899993896484 407.899993896484 42.1313778044834 42.1313778044834 42.1313778044834 1 0 1 5597 5.62503454012136 0.809530400138296 0.560150344250916
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3508 M408T2717 M408T45.3 408 408 408 45.284968884169 45.284968884169 45.284968884169 1 1 0 2447 1.74817776554525 -0.893805137473156 0.487806442663014
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3509 M408T3866 M408T64.4 408 408 408 64.4279173196712 64.4279173196712 64.4279173196712 1 1 0 1382 Inf -4.31605875214615 0.144942788716823
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3510 M408T2898 M408T48.3 408 408 408 48.2990354917678 48.2990354917678 48.2990354917678 1 1 0 4775 Inf -1 0.5
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3511 M408T3164 M408T52.7 408 408 408 52.7393436616907 52.7393436616907 52.7393436616907 1 0 1 819 1.17798908932367 0.201277321275161 0.866542448334469
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3512 M408T3373 M408T56.2 408 408 408 56.2129511107161 56.2129511107161 56.2129511107161 1 1 0 [M+Cl]- 373.033 25 Inf -2.67229047509869 0.227959919186247
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3513 M408T3318 M408T55.3 408 408 408 55.3005987432912 55.3005987432912 55.3005987432912 1 0 1 567 1.26376358132372 0.163670583030352 0.885734117166313
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3514 M408T2601 M408T43.4 408 408 408 43.3572611378167 43.3572611378167 43.3572611378167 1 0 1 [M+Cl]- 373.028 [M-H]- 409.011 61 2.93200994490431 0.79718946824994 0.538446333270796
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3515 M408T3691 M408T61.5 408 408 408 61.5145265918963 61.5145265918963 61.5145265918963 1 1 0 [M-H]- 409.007 5 Inf -1 0.5
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3516 M408T4024 M408T67.1 408 408 408 67.0712981579364 67.0712981579364 67.0712981579364 1 1 0 5576 Inf -1 0.5
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3517 M408T3923 M408T65.4 408 408 408 65.3784490660821 65.3784490660821 65.3784490660821 1 0 1 2948 1.93752280798617 -0.455596891789627 0.71508345450681
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3518 M408T2926 M408T48.8 408 408 408 48.7744994224378 48.7744994224378 48.7744994224378 1 0 1 2872 2.74080545610281 0.631486182662149 0.639476582907723
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3519 M408T3027 M408T50.5 408 408 408 50.4541558634034 50.4541558634034 50.4541558634034 1 0 1 2146 Inf 1 0.5
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3520 M408T2892 M408.1T48.2 408.100006103516 408.100006103516 408.100006103516 48.2034326058566 48.1970781341587 48.2097870775546 2 1 1 [64][M]- 95 4.33503084473214 -0.789803238789832 0.565926957275305
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3521 M408T3428 M408.1T57.1 408.100006103516 408.100006103516 408.100006103516 57.1350818467179 57.1350818467179 57.1350818467179 1 0 1 5268 1.00799446829932 0.00563039194984769 0.996018771925957
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3522 M408T3550 M408.1T59.2 408.100006103516 408.100006103516 408.100006103516 59.1686352975791 59.1686352975791 59.1686352975791 1 0 1 2342 2.44962592232674 1.41044432131789 0.375092795379397
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3523 M408T3651 M408.1T60.9 408.100006103516 408.100006103516 408.100006103516 60.8563312514763 60.8563312514763 60.8563312514763 1 0 1 24 1.85012876880849 -1.72663209755335 0.329834867997282
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3524 M408T3421 M408.2T57 408.200012207031 408.200012207031 408.200012207031 57.0178163473694 57.0178163473694 57.0178163473694 1 1 0 [M+Cl+HCOOH]- 327.214 [M+Cl]- 373.237 11 1.36877826830539 -0.504016915327312 0.679493032583684
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3525 M408T3521 M408.3T58.7 408.300018310547 408.300018310547 408.300018310547 58.6762856708046 58.6762856708046 58.6762856708046 1 0 1 369 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3526 M408T4108 M408.3T68.5 408.300018310547 408.300018310547 408.300018310547 68.4678619583106 68.4678619583106 68.4678619583106 1 1 0 2279 2.34018879551028 -1.0010590837546 0.495735126255259
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3527 M408T2725 M408.3T45.4 408.300018310547 408.300018310547 408.300018310547 45.4214590396891 45.4214590396891 45.4214590396891 1 0 1 2450 1.53824456713727 0.616895337194566 0.647662023577582
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3528 M408T3670 M408.3T61.2 408.300018310547 408.300018310547 408.300018310547 61.1630778176642 61.1630778176642 61.1630778176642 1 1 0 [M-H-HBr]- 489.235 2 1.36869565719032 -0.217508099950445 0.849615992320172
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3529 M408T2825 M408.3T47.1 408.300018310547 408.300018310547 408.300018310547 47.077058489885 47.077058489885 47.077058489885 1 0 1 3318 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3530 M408T3956 M408.3T65.9 408.300018310547 408.300018310547 408.300018310547 65.9308188818822 65.9308188818822 65.9308188818822 1 1 0 5459 1.07534387824552 -0.0791023223317626 0.946086678742966
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3531 M408T3743 M408.3T62.4 408.300018310547 408.300018310547 408.300018310547 62.387697805142 62.387697805142 62.387697805142 1 1 0 1019 2.59410341866898 0.748033118385988 0.552690916507205
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3532 M408T3711 M408.3T61.8 408.300018310547 408.300018310547 408.300018310547 61.8458219908521 61.8458219908521 61.8458219908521 1 1 0 1154 1.06953087089149 0.0937155933122267 0.937271175405678
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3533 M408T3763 M408.4T62.7 408.399993896484 408.399993896484 408.399993896484 62.7130339881799 62.7130339881799 62.7130339881799 1 0 1 935 1.14444044326166 -0.100212857678144 0.929327300009996
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3534 M408T3811 M408.4T63.5 408.399993896484 408.399993896484 408.399993896484 63.5110105983362 63.5110105983362 63.5110105983362 1 1 0 2390 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3535 M408T4121 M408.5T68.7 408.5 408.5 408.5 68.678243954488 68.678243954488 68.678243954488 1 0 1 1727 Inf 1.6732976160136 0.342927572110054
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3536 M409T3900 M408.6T65 408.600006103516 408.600006103516 408.600006103516 64.9959186851761 64.9959186851761 64.9959186851761 1 1 0 4787 7.33703339066876 -0.855792977449674 0.54519562854897
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3537 M409T3889 M409T64.8 409 409 409 64.822914218412 64.822914218412 64.822914218412 1 1 0 2241 Inf -5.67060406119648 0.11112412316474
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3538 M409T3335 M409T55.6 409 409 409 55.5911685132209 55.5911685132209 55.5911685132209 1 1 0 1111 Inf -1.13620715141171 0.459463227955641
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3539 M409T3402 M409T56.7 409 409 409 56.6972399790286 56.6972399790286 56.6972399790286 1 1 0 20 2.55839421361764 -0.809540245354945 0.518289116538564
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3540 M409T3379 M409T56.3 409 409 409 56.3114934695469 56.3114934695469 56.3114934695469 1 1 0 1570 3.36837324222385 -0.674043763365972 0.608271273819172
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3541 M409T3550 M409T59.2 409 409 409 59.1671545128572 59.1671545128572 59.1671545128572 1 1 0 2343 2.54000085575168 -0.564151917319112 0.654267403758462
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3542 M409T3481 M409.1T58 409.100006103516 409.100006103516 409.100006103516 58.0176588676934 58.0176588676934 58.0176588676934 1 0 1 1766 1.24398642500684 -0.482031517769937 0.681998215849118
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3543 M409T3298 M409.1T55 409.100006103516 409.100006103516 409.100006103516 54.960366420115 54.960366420115 54.960366420115 1 1 0 2595 3.32092104150262 -0.797921831635186 0.559101603356276
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3544 M409T2891 M409.1T48.2 409.100006103516 409.100006103516 409.100006103516 48.1833795870331 48.1833795870331 48.1833795870331 1 1 0 [64][M+1]- 95 3.14392487463783 -0.898326693516065 0.529610787275193
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3545 M409T3244 M409.1T54.1 409.100006103516 409.100006103516 409.100006103516 54.0644010753696 54.0644010753696 54.0644010753696 1 1 0 3466 8.0441726653623 -1.29737434711145 0.417463383426381
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3546 M409T2684 M409.2T44.7 409.200012207031 409.200012207031 409.200012207031 44.7338165318911 44.6746005902642 44.793032473518 2 2 0 [M-H-CH5N]- 441.237 6 1.64189159480549 -1.56028618904422 0.345784101726217
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3547 M409T2716 M409.2T45.3 409.200012207031 409.200012207031 409.200012207031 45.2700579052925 45.2700579052925 45.2700579052925 1 1 0 2492 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3548 M409T2820 M409.3T47 409.300018310547 409.300018310547 409.300018310547 46.9930129573149 46.9874878702483 46.9985380443816 2 1 1 3296 2.62685643564358 -0.578795817253634 0.647709445308799
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3549 M409T3732 M409.3T62.2 409.300018310547 409.300018310547 409.300018310547 62.206314950523 62.206314950523 62.206314950523 1 1 0 3565 4.87986044276266 -1.96736274157006 0.217149554660315
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3550 M409T2916 M409.3T48.6 409.300018310547 409.300018310547 409.300018310547 48.5990345517257 48.5990345517257 48.5990345517257 1 0 1 2769 Inf 1 0.5
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3551 M409T3213 M409.3T53.6 409.300018310547 409.300018310547 409.300018310547 53.5517736483169 53.5517736483169 53.5517736483169 1 0 1 4321 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3552 M409T2666 M409.3T44.4 409.300018310547 409.300018310547 409.300018310547 44.4392567942445 44.4392567942445 44.4392567942445 1 0 1 4047 Inf 1 0.5
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3553 M409T3394 M409.3T56.6 409.300018310547 409.300018310547 409.300018310547 56.5729707236228 56.5729707236228 56.5729707236228 1 1 0 487 6.68286611457024 -0.841000287356336 0.549922713624922
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3554 M409T3040 M409.3T50.7 409.300018310547 409.300018310547 409.300018310547 50.6617152145754 50.6617152145754 50.6617152145754 1 0 1 3222 Inf 1 0.5
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3555 M409T3740 M409.4T62.3 409.399993896484 409.399993896484 409.399993896484 62.3358017847853 62.3358017847853 62.3358017847853 1 1 0 4714 2.41858942932208 -0.542031981718815 0.664437600154087
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3556 M410T3758 M409.8T62.6 409.800018310547 409.800018310547 409.800018310547 62.636269327806 62.636269327806 62.636269327806 1 1 0 988 Inf -1 0.5
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3557 M410T4124 M410T68.7 410 410 410 68.7273495296124 68.7273495296124 68.7273495296124 1 1 0 1728 4.95347881252703 -0.782338823557086 0.569218501782389
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3558 M410T3916 M410.1T65.3 410.100006103516 410.100006103516 410.100006103516 65.2655723624209 65.2655723624209 65.2655723624209 1 0 1 5141 7.3576511409192 6.10100027496045 0.0789742377879732
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3559 M410T2891 M410.1T48.2 410.100006103516 410.100006103516 410.100006103516 48.1833795870331 48.1833795870331 48.1833795870331 1 1 0 [64][M+2]- 95 5.79235997089966 -0.876301446155209 0.541658691731422
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3560 M410T3610 M410.1T60.2 410.100006103516 410.100006103516 410.100006103516 60.1617279256878 60.1617279256878 60.1617279256878 1 0 1 2587 2.27290193466492 1.81006015301297 0.294550702243144
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3561 M410T3579 M410.1T59.6 410.100006103516 410.100006103516 410.100006103516 59.6437037433137 59.6437037433137 59.6437037433137 1 0 1 1671 5.36740947726424 0.799925595233211 0.563326517636846
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3562 M410T4004 M410.1T66.7 410.100006103516 410.100006103516 410.100006103516 66.7275935250403 66.7275935250403 66.7275935250403 1 1 0 5290 2.39700297293818 -0.745937556919248 0.545598201801257
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3563 M410T3933 M410.2T65.5 410.200012207031 410.200012207031 410.200012207031 65.5475769927734 65.5404546042375 65.5546993813092 2 1 1 2967 5.23826383427042 -1.99774825258407 0.230331911473634
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3564 M410T3940 M410.3T65.7 410.300018310547 410.300018310547 410.300018310547 65.6680163786716 65.5098239476139 65.8175253436234 4 2 2 4181 7.47410464144385 -6.99050137210034 0.0275960891888012
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3565 M410T4174 M410.3T69.6 410.300018310547 410.300018310547 410.300018310547 69.5694462076196 69.4963083146132 69.642584100626 2 1 1 4393 1.03888972792182 0.0360466687228198 0.975916382218352
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3566 M410T4193 M410.3T69.9 410.300018310547 410.300018310547 410.300018310547 69.8909686497133 69.8909686497133 69.8909686497133 1 0 1 6163 Inf 1.65372413608316 0.346235292076706
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3567 M410T3551 M410.3T59.2 410.300018310547 410.300018310547 410.300018310547 59.18574987501 59.18574987501 59.18574987501 1 0 1 2344 Inf 1 0.5
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3568 M410T3219 M410.3T53.7 410.300018310547 410.300018310547 410.300018310547 53.6503344480983 53.6503344480983 53.6503344480983 1 0 1 4292 1.79895458661337 -0.52007330979781 0.694357268125988
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3569 M410T3651 M410.3T60.9 410.300018310547 410.300018310547 410.300018310547 60.8531002806979 60.8531002806979 60.8531002806979 1 0 1 1539 Inf 2.94332730178986 0.208503021760804
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3570 M410T2836 M410.3T47.3 410.300018310547 410.300018310547 410.300018310547 47.2605210797256 47.2605210797256 47.2605210797256 1 0 1 4572 3.52390495770597 1.49528927114576 0.283868652484403
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3571 M411T3064 M410.9T51.1 410.899993896484 410.899993896484 410.899993896484 51.0616989193162 51.0616989193162 51.0616989193162 1 1 0 5411 Inf -1 0.5
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3572 M411T4143 M410.9T69 410.899993896484 410.899993896484 410.899993896484 69.0492204926483 69.0492204926483 69.0492204926483 1 0 1 4228 Inf 1 0.5
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3573 M411T2589 M410.9T43.2 410.899993896484 410.899993896484 410.899993896484 43.1510381126804 43.1510381126804 43.1510381126804 1 1 0 2894 Inf -1 0.5
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3574 M411T4122 M410.9T68.7 410.899993896484 410.899993896484 410.899993896484 68.7040954559984 68.7040954559984 68.7040954559984 1 0 1 1729 Inf 1 0.5
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3575 M411T3484 M411T58.1 411 411 411 58.0691763348732 58.0691763348732 58.0691763348732 1 0 1 1794 Inf 1 0.5
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3576 M411T4059 M411T67.6 411 411 411 67.6443327112656 67.6443327112656 67.6443327112656 1 0 1 4699 Inf 1 0.5
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3577 M411T3819 M411.2T63.7 411.200012207031 411.200012207031 411.200012207031 63.6505754124772 63.6505754124772 63.6505754124772 2 1 0 1860 2.87322780752629 -0.747366673356024 0.58433100751052
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3578 M411T3935 M411.2T65.6 411.200012207031 411.200012207031 411.200012207031 65.5892077494679 65.5892077494679 65.5892077494679 1 1 0 107 3.85767116037404 -6.28128856929454 0.0968780711181445
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3579 M411T4179 M411.2T69.6 411.200012207031 411.200012207031 411.200012207031 69.642584100626 69.642584100626 69.642584100626 1 1 0 4394 1.03303116213902 0.0361708630181614 0.975974261594551
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3580 M411T3667 M411.2T61.1 411.200012207031 411.200012207031 411.200012207031 61.1139240139975 61.1139240139975 61.1139240139975 1 0 1 [M-H-CH6O3]- 478.236 2 1.18607199611931 0.405603391387478 0.741359879885626
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3581 M411T4146 M411.3T69.1 411.300018310547 411.300018310547 411.300018310547 69.0919049656436 69.0919049656436 69.0919049656436 1 0 1 5832 48.9767519196799 3.86901527117542 0.158505261269787
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3582 M411T3831 M411.3T63.9 411.300018310547 411.300018310547 411.300018310547 63.8510847227855 63.8510847227855 63.8510847227855 1 1 0 3341 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3583 M411T3158 M411.3T52.6 411.300018310547 411.300018310547 411.300018310547 52.6353514783596 52.6353514783596 52.6353514783596 1 0 1 834 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3584 M412T2683 M411.9T44.7 411.899993896484 411.899993896484 411.899993896484 44.7137721930535 44.7137721930535 44.7137721930535 1 1 0 653 3.27285142098896 -0.664146271331794 0.612124299455897
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3585 M412T2827 M411.9T47.1 411.899993896484 411.899993896484 411.899993896484 47.1228868005871 47.1228868005871 47.1228868005871 1 1 0 121 6.34358142557307 -0.832085022203706 0.552794687259385
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3586 M412T3480 M412T58 412 412 412 57.9918978803344 57.9918978803344 57.9918978803344 1 0 1 31 3.5501284668741 0.691413940092917 0.60163546313647
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3587 M412T2679 M412T44.7 412 412 412 44.6537981733315 44.6537981733315 44.6537981733315 1 0 1 [M+Cl]- 377.03 6 12.9096767561311 5.81690725227811 0.047866088578721
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3588 M412T4018 M412T67 412 412 412 66.9705310443042 66.9705310443042 66.9705310443042 1 0 1 305 1.78620186301935 -0.745878784453949 0.572879350629321
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3589 M412T4198 M412T70 412 412 412 69.9699105978118 69.9699105978118 69.9699105978118 1 0 1 260 Inf 1 0.5
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3590 M412T2600 M412T43.3 412 412 412 43.3287329099392 43.3287329099392 43.3287329099392 1 1 0 [M-H-H6O3]- 467.033 61 8.69580924855494 -2.40803693987286 0.213652120334889
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3591 M412T4141 M412.1T69 412.100006103516 412.100006103516 412.100006103516 69.0143366635432 69.0143366635432 69.0143366635432 1 0 1 [M-H]- 413.107 4202 3.58472569037099 0.901676546317229 0.505324770129618
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3592 M412T4155 M412.1T69.3 412.100006103516 412.100006103516 412.100006103516 69.2512124838132 69.2512124838132 69.2512124838132 1 1 0 6210 Inf -1.16251570544976 0.452247007228788
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3593 M412T4116 M412.2T68.6 412.200012207031 412.200012207031 412.200012207031 68.6025004657669 68.6025004657669 68.6025004657669 1 0 1 120 1.41223463342746 -0.313333781933889 0.793825096754837
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3594 M412T3462 M412.2T57.7 412.200012207031 412.200012207031 412.200012207031 57.7055867162183 57.7055867162183 57.7055867162183 1 0 1 1259 10.9251433812731 0.955876112966944 0.513144957351162
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3595 M412T4042 M412.2T67.4 412.200012207031 412.200012207031 412.200012207031 67.3698976067296 67.3698976067296 67.3698976067296 1 1 0 5308 2.66366256887616 -1.95926456909717 0.297092195561308
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3596 M412T4210 M412.2T70.2 412.200012207031 412.200012207031 412.200012207031 70.168531901892 70.168531901892 70.168531901892 1 1 0 4930 Inf -1 0.5
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3597 M412T4111 M412.3T68.5 412.300018310547 412.300018310547 412.300018310547 68.5201145759188 68.3660964327137 68.5231777206461 5 2 2 [65][M]- [M+Cl+HCOOH]- 331.313 43 8.33078162646729 -4.32286753963034 0.135621173678637
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3598 M412T2533 M412.3T42.2 412.300018310547 412.300018310547 412.300018310547 42.2237847480001 42.2237847480001 42.2237847480001 1 0 1 5891 3.9400921658989 0.723267689085947 0.589861564012719
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3599 M412T3251 M412.3T54.2 412.300018310547 412.300018310547 412.300018310547 54.1850604055558 54.1850604055558 54.1850604055558 1 0 1 1916 40.1171784999879 0.981589297451361 0.505750461632128
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3600 M412T3256 M412.4T54.3 412.399993896484 412.399993896484 412.399993896484 54.2738637650085 54.2738637650085 54.2738637650085 1 1 0 1917 Inf -1 0.5
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3601 M412T2556 M412.4T42.6 412.399993896484 412.399993896484 412.399993896484 42.6032881126804 42.6032881126804 42.6032881126804 1 1 0 3061 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3602 M412T3964 M412.4T66.1 412.399993896484 412.399993896484 412.399993896484 66.0657522524812 66.0657522524812 66.0657522524812 1 1 0 2034 Inf -1 0.5
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3603 M412T4147 M412.4T69.1 412.399993896484 412.399993896484 412.399993896484 69.117751854209 69.117751854209 69.117751854209 1 0 1 189 1.07482338831984 -0.0509669935419382 0.964005548270197
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3604 M412T3767 M412.4T62.8 412.399993896484 412.399993896484 412.399993896484 62.778323278972 62.778323278972 62.778323278972 1 1 0 989 Inf -1 0.5
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3605 M412T3408 M412.4T56.8 412.399993896484 412.399993896484 412.399993896484 56.8068285605479 56.8068285605479 56.8068285605479 1 1 0 2560 Inf -1 0.5
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3606 M413T3845 M412.9T64.1 412.899993896484 412.899993896484 412.899993896484 64.0866409931078 64.0866409931078 64.0866409931078 1 1 0 1383 Inf -1 0.5
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3607 M413T3269 M413T54.5 413 413 413 54.4848733423112 54.4848733423112 54.4848733423112 1 1 0 5472 3.54872712524479 -0.691286804458732 0.601683461737374
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3608 M413T3728 M413T62.1 413 413 413 62.1322943738121 62.1322943738121 62.1322943738121 1 0 1 3566 Inf 1 0.5
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3609 M413T2691 M413T44.9 413 413 413 44.8574173038808 44.8574173038808 44.8574173038808 1 1 0 654 19.7128959712761 -6.01518119722744 0.0736880375172544
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3610 M413T2537 M413T42.3 413 413 413 42.2878611378167 42.2878611378167 42.2878611378167 1 0 1 5911 Inf 3.64315342032806 0.170543855849516
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3611 M413T2930 M413T48.8 413 413 413 48.8315744781086 48.8315744781086 48.8315744781086 1 1 0 [M-H-C4H4]- 466.033 3615 7.06702353257905 -2.02065987984324 0.252077508561135
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3612 M413T4059 M413T67.7 413 413 413 67.65694615063 67.65694615063 67.65694615063 1 0 1 4700 Inf 1 0.5
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3613 M413T3766 M413T62.8 413 413 413 62.7646759413387 62.7646759413387 62.7646759413387 1 0 1 990 Inf 1 0.5
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3614 M413T3629 M413.1T60.5 413.100006103516 413.100006103516 413.100006103516 60.4893271034988 60.4061421845945 60.5717347035039 4 2 2 [66][M]- [M-2H+Na]- 392.112 26 1.69736913379485 -1.43345630074125 0.362471153404566
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3615 M413T4176 M413.1T69.6 413.100006103516 413.100006103516 413.100006103516 69.6081394901155 69.6081394901155 69.6081394901155 1 0 1 4395 1.85512079706202 0.405755062678551 0.73427983350498
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3616 M413T3625 M413.2T60.4 413.200012207031 413.200012207031 413.200012207031 60.4204003306338 60.4204003306338 60.4204003306338 1 0 1 1613 Inf 2.18728884960886 0.272991807846235
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3617 M413T4099 M413.2T68.3 413.200012207031 413.200012207031 413.200012207031 68.313563412167 68.313563412167 68.313563412167 1 0 1 150 1.1288440429424 0.116384252056692 0.92002160901508
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3618 M413T4111 M413.3T68.5 413.300018310547 413.300018310547 413.300018310547 68.5236887576381 68.4126241167387 68.5490222088792 5 2 2 [65][M+1]- 43 14.1362738315517 -4.98970764229639 0.125054630419577
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3619 M413T2564 M413.3T42.7 413.300018310547 413.300018310547 413.300018310547 42.7337047793471 42.7337047793471 42.7337047793471 1 1 0 3075 Inf -1.54537015548846 0.365629666092151
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3620 M413T3058 M413.3T51 413.300018310547 413.300018310547 413.300018310547 50.968424444518 50.968424444518 50.968424444518 1 1 0 5775 Inf -1 0.5
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3621 M413T3185 M413.3T53.1 413.300018310547 413.300018310547 413.300018310547 53.0774135353179 53.0774135353179 53.0774135353179 1 0 1 2196 3.69279013504146 1.69762799153042 0.318371091343191
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3622 M413T4082 M413.4T68 413.399993896484 413.399993896484 413.399993896484 68.0281899656482 67.9805001444883 68.0758797868082 2 1 1 5724 1.65255226401238 0.337836686915369 0.773599473721319
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3623 M413T3936 M413.4T65.6 413.399993896484 413.399993896484 413.399993896484 65.6072513111386 65.6072513111386 65.6072513111386 1 0 1 4153 3.64839143217605 1.96878540304461 0.189227075541495
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3624 M413T4135 M413.4T68.9 413.399993896484 413.399993896484 413.399993896484 68.9109701073071 68.9109701073071 68.9109701073071 1 0 1 99 Inf 1.18548753574492 0.446097740112672
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3625 M414T2842 M413.9T47.4 413.899993896484 413.899993896484 413.899993896484 47.3746957415159 47.3746957415159 47.3746957415159 1 1 0 6052 Inf -1 0.5
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3626 M414T4132 M414T68.9 414 414 414 68.85862190811 68.85862190811 68.85862190811 1 1 0 1495 7.43887290330984 -0.857854530691264 0.544540288640759
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3627 M414T3989 M414T66.5 414 414 414 66.4760823060443 66.4760823060443 66.4760823060443 1 0 1 4495 5.36669560979504 1.75169279537681 0.275772039645697
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3628 M414T3362 M414T56 414 414 414 56.0329982680254 56.0329982680254 56.0329982680254 1 1 0 4658 Inf -1 0.5
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3629 M414T3621 M414.1T60.3 414.100006103516 414.100006103516 414.100006103516 60.346438159555 60.304338600179 60.388537718931 2 2 0 [66][M+1]- 26 1.28145009577585 -0.449010551210318 0.724027016187975
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3630 M414T3862 M414.1T64.4 414.100006103516 414.100006103516 414.100006103516 64.3583527486707 64.3583527486707 64.3583527486707 1 0 1 [M+Cl]- 379.135 21 2.52942258248134 0.609134184160306 0.628106544270156
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3631 M414T3165 M414.1T52.8 414.100006103516 414.100006103516 414.100006103516 52.7581381428276 52.7581381428276 52.7581381428276 1 0 1 818 1.65466187126443 0.545137941750848 0.649637850023135
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3632 M414T3055 M414.2T50.9 414.200012207031 414.200012207031 414.200012207031 50.9159893975409 50.8984790615334 50.9334997335484 2 1 1 [67][M]- 3481 2.18712217847203 0.898653754223295 0.533015924398388
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3633 M414T3637 M414.2T60.6 414.200012207031 414.200012207031 414.200012207031 60.6153797812594 60.5329059947465 60.6978535677723 2 1 1 2845 1.2433614735454 -0.346169936448838 0.779188226380976
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3634 M414T3421 M414.2T57 414.200012207031 414.200012207031 414.200012207031 57.0178163473694 57.0178163473694 57.0178163473694 1 1 0 [M-H-C2H4O]- 459.229 [M-H-CONH2]- 459.229 11 6.09612384056384 -4.74411661740093 0.0892564394989841
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3635 M414T3470 M414.2T57.8 414.200012207031 414.200012207031 414.200012207031 57.8373335226661 57.8373335226661 57.8373335226661 1 0 1 3106 16.0334385170878 1.06810371016356 0.478062477143063
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3636 M414T4108 M414.3T68.5 414.300018310547 414.300018310547 414.300018310547 68.4650466102311 68.4650466102311 68.4650466102311 1 1 0 [65][M+2]- 43 23.3747575615229 -0.956756569966636 0.513820535705618
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3637 M414T3682 M414.3T61.4 414.300018310547 414.300018310547 414.300018310547 61.3634922984121 61.3634922984121 61.3634922984121 1 1 0 597 6.09106825839138 -0.824783741542145 0.555161049227487
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3638 M414T4439 M414.3T74 414.300018310547 414.300018310547 414.300018310547 73.9777370460506 73.9777370460506 73.9777370460506 1 1 0 6221 Inf -3.54708139323865 0.174936752972861
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3639 M414T3272 M414.4T54.5 414.399993896484 414.399993896484 414.399993896484 54.5309742733905 54.5309742733905 54.5309742733905 1 0 1 5016 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3640 M414T3782 M414.4T63 414.399993896484 414.399993896484 414.399993896484 63.0288128162637 63.0288128162637 63.0288128162637 1 0 1 88 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3641 M414T2981 M414.4T49.7 414.399993896484 414.399993896484 414.399993896484 49.6898138428882 49.6898138428882 49.6898138428882 1 1 0 4626 11.1164589997685 -0.906383364832457 0.529291806209435
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3642 M414T4130 M414.4T68.8 414.399993896484 414.399993896484 414.399993896484 68.8389740321595 68.8389740321595 68.8389740321595 1 0 1 1466 Inf 1 0.5
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lecorguille
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3643 M415T3884 M414.9T64.7 414.899993896484 414.899993896484 414.899993896484 64.7359113426211 64.7359113426211 64.7359113426211 1 1 0 2242 Inf -1 0.5
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3644 M415T3108 M415T51.8 415 415 415 51.8069886539165 51.8069886539165 51.8069886539165 1 1 0 3138 Inf -2.9322297283664 0.209236620522277
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lecorguille
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3645 M415T3482 M415T58 415 415 415 58.0394091394203 58.0394091394203 58.0394091394203 1 1 0 1795 18.5121105703983 -1.05548386587044 0.48181613897555
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lecorguille
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3646 M415T2822 M415.1T47 415.100006103516 415.100006103516 415.100006103516 47.0390367231235 47.0390367231235 47.0390367231235 1 1 0 3297 1.66841893921386 -0.812250542246428 0.520379482277679
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3647 M415T3657 M415.2T60.9 415.200012207031 415.200012207031 415.200012207031 60.9425957571376 60.9425957571376 60.9425957571376 1 1 0 2405 1.99323904314022 -1.36733780028117 0.387301019896806
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3648 M415T2909 M415.2T48.5 415.200012207031 415.200012207031 415.200012207031 48.4902198805205 48.4902198805205 48.4902198805205 1 0 1 2770 Inf 4.4644222572392 0.140282923348306
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3649 M415T3054 M415.2T50.9 415.200012207031 415.200012207031 415.200012207031 50.8984790615334 50.8984790615334 50.8984790615334 1 0 1 [67][M+1]- 3477 3.44566360544287 1.30285699319512 0.416411259039114
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3650 M415T3626 M415.2T60.4 415.200012207031 415.200012207031 415.200012207031 60.4314954588001 60.4314954588001 60.4314954588001 1 1 0 26 1.72865326874699 -2.03172067222787 0.248744701502434
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3651 M415T2758 M415.2T46 415.200012207031 415.200012207031 415.200012207031 45.9740616479649 45.9740616479649 45.9740616479649 1 1 0 5492 Inf -1.48843264573824 0.376612083825177
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3652 M415T3345 M415.3T55.8 415.300018310547 415.300018310547 415.300018310547 55.7508385684307 55.7508385684307 55.7508385684307 1 0 1 810 Inf 1.27343573596916 0.423797086988895
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3653 M415T3750 M415.3T62.5 415.300018310547 415.300018310547 415.300018310547 62.5039961174716 62.5039961174716 62.5039961174716 1 1 0 1054 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3654 M415T3900 M415.4T65 415.399993896484 415.399993896484 415.399993896484 65.0027518857316 65.0027518857316 65.0027518857316 1 0 1 4836 Inf 1 0.5
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3655 M415T3975 M415.4T66.2 415.399993896484 415.399993896484 415.399993896484 66.244819432512 66.244819432512 66.244819432512 1 1 0 2035 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3656 M416T3127 M415.9T52.1 415.899993896484 415.899993896484 415.899993896484 52.1234107242168 52.1234107242168 52.1234107242168 1 1 0 5591 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3657 M416T3036 M415.9T50.6 415.899993896484 415.899993896484 415.899993896484 50.599930620161 50.599930620161 50.599930620161 1 1 0 3223 Inf -1 0.5
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3658 M416T3848 M416T64.1 416 416 416 64.1390715523787 64.1390715523787 64.1390715523787 1 1 0 1384 Inf -6.18450203401107 0.102054627032067
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3659 M416T3134 M416T52.2 416 416 416 52.2282444037285 52.2282444037285 52.2282444037285 1 0 1 4998 2.76257444763261 0.59992414743997 0.638488352544177
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3660 M416T2598 M416T43.3 416 416 416 43.3050944711501 43.3050944711501 43.3050944711501 1 0 1 2895 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3661 M416T3598 M416T60 416 416 416 59.970284351477 59.970284351477 59.970284351477 1 0 1 1454 Inf 1 0.5
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3662 M416T2686 M416.1T44.8 416.100006103516 416.100006103516 416.100006103516 44.7599725857101 44.70757669099 44.7931198317599 4 2 2 [M+Cl+HCOOH]- 335.127 [M+HCOO]- 371.106 6 1.07546233088135 -0.663577746515818 0.609190754276434
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3663 M416T3342 M416.1T55.7 416.100006103516 416.100006103516 416.100006103516 55.6943136628657 55.6943136628657 55.6943136628657 1 0 1 9 3.0128315500829 0.883270130456007 0.539260635089669
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3664 M416T3628 M416.3T60.5 416.300018310547 416.300018310547 416.300018310547 60.4706701712737 60.4706701712737 60.4706701712737 1 0 1 1614 5.7588383268828 2.46549170965455 0.158787284253347
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3665 M416T3542 M416.3T59 416.300018310547 416.300018310547 416.300018310547 59.041466821452 59.041466821452 59.041466821452 1 1 0 2324 24.3644717222282 -0.958149941089772 0.513174735450313
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3666 M416T3750 M416.3T62.5 416.300018310547 416.300018310547 416.300018310547 62.5039961174716 62.5039961174716 62.5039961174716 1 1 0 1055 3.08201543409466 -0.780057735521857 0.574747237481707
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3667 M416T3992 M416.4T66.5 416.399993896484 416.399993896484 416.399993896484 66.5326827804537 66.5326827804537 66.5326827804537 1 1 0 4496 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3668 M416T3840 M416.4T64 416.399993896484 416.399993896484 416.399993896484 63.9986974121446 63.9986974121446 63.9986974121446 1 1 0 3166 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3669 M416T3318 M416.4T55.3 416.399993896484 416.399993896484 416.399993896484 55.3077072049691 55.3077072049691 55.3077072049691 1 0 1 538 3.85911795620692 0.740354773684412 0.594001862243017
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3670 M417T2951 M416.6T49.2 416.600006103516 416.600006103516 416.600006103516 49.1899670356545 49.1899670356545 49.1899670356545 1 0 1 3188 13.474949848695 0.92324936552831 0.524040941466761
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3671 M417T2959 M416.8T49.3 416.800018310547 416.800018310547 416.800018310547 49.3232940089414 49.2730186754704 49.3735693424124 2 1 1 3258 4.27659574468099 -0.746044879176904 0.581731863169952
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3672 M417T2806 M416.8T46.8 416.800018310547 416.800018310547 416.800018310547 46.7680469152057 46.7680469152057 46.7680469152057 1 0 1 5185 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3673 M417T3445 M416.9T57.4 416.899993896484 416.899993896484 416.899993896484 57.4163279271016 57.4163279271016 57.4163279271016 1 1 0 62 87.5132721245517 -0.988508627830879 0.503644676629031
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3674 M417T2646 M416.9T44.1 416.899993896484 416.899993896484 416.899993896484 44.1011457645514 44.1011457645514 44.1011457645514 1 1 0 5941 Inf -1 0.5
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lecorguille
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3675 M417T3288 M417T54.8 417 417 417 54.8019619815078 54.8019619815078 54.8019619815078 1 0 1 2112 1.74631886593251 -0.757210600330104 0.530913921471826
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3676 M417T4136 M417T68.9 417 417 417 68.937955126004 68.937955126004 68.937955126004 1 1 0 3979 9.08724454003677 -0.889505356743444 0.536944149432538
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3677 M417T3417 M417T56.9 417 417 417 56.9444770682723 56.9444770682723 56.9444770682723 1 0 1 11 2.76890728433465 -0.761127126008477 0.560265928997258
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3678 M417T3380 M417.1T56.3 417.100006103516 417.100006103516 417.100006103516 56.3412978113123 56.3412978113123 56.3412978113123 1 1 0 [M+Cl]- 382.136 25 3.37585076611308 -0.831810155766232 0.532558933935769
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3679 M417T3718 M417.1T62 417.100006103516 417.100006103516 417.100006103516 61.9748588051615 61.9748588051615 61.9748588051615 1 0 1 3445 1.71628131074187 0.405064456045409 0.749036383654831
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3680 M417T4172 M417.2T69.5 417.200012207031 417.200012207031 417.200012207031 69.5382297032655 69.5382297032655 69.5382297032655 1 1 0 4396 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3681 M417T2794 M417.2T46.6 417.200012207031 417.200012207031 417.200012207031 46.574685052508 46.574685052508 46.574685052508 1 1 0 914 14.4715126684131 -0.928684136811831 0.522350540226586
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3682 M417T3231 M417.2T53.9 417.200012207031 417.200012207031 417.200012207031 53.8581637943718 53.8581637943718 53.8581637943718 1 1 0 2694 1.06185281036797 0.108506200564487 0.930918770538544
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3683 M417T3274 M417.3T54.6 417.300018310547 417.300018310547 417.300018310547 54.565562819362 54.565562819362 54.565562819362 1 0 1 5017 1.38043355504639 0.282689833261004 0.804241287981855
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3684 M417T3050 M417.3T50.8 417.300018310547 417.300018310547 417.300018310547 50.8309062958886 50.8309062958886 50.8309062958886 1 1 0 3491 3.87470383440671 -0.718376776467711 0.591637678730474
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3685 M417T4066 M417.3T67.8 417.300018310547 417.300018310547 417.300018310547 67.7736661645487 67.7736661645487 67.7736661645487 1 0 1 3891 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3686 M417T3758 M417.3T62.6 417.300018310547 417.300018310547 417.300018310547 62.636269327806 62.636269327806 62.636269327806 1 1 0 991 Inf -1.24786636625454 0.430084050729691
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3687 M417T3816 M417.3T63.6 417.300018310547 417.300018310547 417.300018310547 63.5970006162998 63.5970006162998 63.5970006162998 1 1 0 2373 1.29529295787488 -0.18045350892655 0.874361869047089
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3688 M417T3216 M417.3T53.6 417.300018310547 417.300018310547 417.300018310547 53.5981824688116 53.5981824688116 53.5981824688116 1 0 1 4322 4.45924329962739 0.756946908924959 0.577919065632648
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3689 M417T3963 M417.4T66.1 417.399993896484 417.399993896484 417.399993896484 66.0579353422806 66.0579353422806 66.0579353422806 1 0 1 36 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3690 M417T3766 M417.4T62.8 417.399993896484 417.399993896484 417.399993896484 62.7689282172037 62.7689282172037 62.7689282172037 1 1 0 992 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3691 M418T4011 M417.7T66.8 417.700012207031 417.700012207031 417.700012207031 66.8466930069908 66.8466930069908 66.8466930069908 1 1 0 5221 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3692 M418T2634 M417.9T43.9 417.899993896484 417.899993896484 417.899993896484 43.9069896798045 43.9069896798045 43.9069896798045 1 1 0 2650 4.67629795496873 -0.768774315929361 0.573836259331371
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3693 M418T3109 M418T51.8 418 418 418 51.8211125186602 51.8211125186602 51.8211125186602 1 0 1 5346 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3694 M418T3748 M418T62.5 418 418 418 62.4656347411346 62.4656347411346 62.4656347411346 1 1 0 1056 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3695 M418T4194 M418T69.9 418 418 418 69.9068203136874 69.9068203136874 69.9068203136874 1 1 0 6164 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3696 M418T4118 M418.1T68.6 418.100006103516 418.100006103516 418.100006103516 68.626545094649 68.626545094649 68.626545094649 1 0 1 4559 Inf 5.69923019827122 0.110577154025813
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3697 M418T4142 M418.1T69 418.100006103516 418.100006103516 418.100006103516 69.0401974996345 69.0401974996345 69.0401974996345 1 0 1 4229 1.9175736000496 0.424280542398023 0.724061059322739
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3698 M418T4136 M418.3T68.9 418.300018310547 418.300018310547 418.300018310547 68.9368222184917 68.9368222184917 68.9368222184917 1 0 1 3980 2.03150936690868 2.77731416620396 0.11133991390371
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3699 M418T4276 M418.3T71.3 418.300018310547 418.300018310547 418.300018310547 71.2669957405337 71.2669957405337 71.2669957405337 1 0 1 318 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3700 M418T3624 M418.3T60.4 418.300018310547 418.300018310547 418.300018310547 60.4061421845945 60.4061421845945 60.4061421845945 1 1 0 1615 1.47287449039905 -0.265619619625094 0.818349595491394
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3701 M418T4087 M418.3T68.1 418.300018310547 418.300018310547 418.300018310547 68.1097117407023 68.1097117407023 68.1097117407023 1 0 1 4981 1.21590027993977 0.346559067583395 0.787615095356994
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3702 M418T3317 M418.4T55.3 418.399993896484 418.399993896484 418.399993896484 55.281978863019 55.281978863019 55.281978863019 1 0 1 539 Inf 2.11173744632906 0.281551123052158
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3703 M418T4187 M418.4T69.8 418.399993896484 418.399993896484 418.399993896484 69.7759636871153 69.7759636871153 69.7759636871153 1 1 0 6063 3.46940584436228 -0.683923229328104 0.604477707115954
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3704 M419T4218 M419T70.3 419 419 419 70.3040101363921 70.3040101363921 70.3040101363921 1 0 1 5321 1.71840912174008 0.49179342893974 0.671711767301434
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3705 M419T4198 M419T70 419 419 419 69.9699105978118 69.9699105978118 69.9699105978118 1 0 1 6083 2.07363397213689 0.770236011473756 0.521760017220124
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3706 M419T4125 M419.1T68.8 419.100006103516 419.100006103516 419.100006103516 68.7568562430636 68.7338667416034 68.7798457445238 2 1 1 [M-H]- 420.112 23 1.48065371584356 0.317839275890341 0.788909595115335
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3707 M419T3890 M419.1T64.8 419.100006103516 419.100006103516 419.100006103516 64.8295865475032 64.8295865475032 64.8295865475032 1 0 1 [M-H-HF]- 440.125 41 1.59057301303759 0.384753829684853 0.738225385886932
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3708 M419T3728 M419.1T62.1 419.100006103516 419.100006103516 419.100006103516 62.1287888582799 62.1287888582799 62.1287888582799 1 1 0 3567 29.9765118105808 -1.1136293204433 0.465382270419696
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3709 M419T3211 M419.1T53.5 419.100006103516 419.100006103516 419.100006103516 53.5248981933595 53.5248981933595 53.5248981933595 1 1 0 [M-H-H2O]- 438.11 4280 1.57723608372481 -0.400166693834885 0.730400316952821
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3710 M419T3188 M419.2T53.1 419.200012207031 419.200012207031 419.200012207031 53.1329803707082 53.1329803707082 53.1329803707082 1 1 0 2175 1.60935603641252 0.557107982852732 0.662355877048711
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3711 M419T3387 M419.2T56.4 419.200012207031 419.200012207031 419.200012207031 56.4440981603401 56.4440981603401 56.4440981603401 1 1 0 488 1.12254858368401 -0.102102692980258 0.932290649427813
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3712 M419T3782 M419.2T63 419.200012207031 419.200012207031 419.200012207031 63.0288128162637 63.0288128162637 63.0288128162637 1 0 1 [M+Cl]- 384.229 88 1.71562066044671 0.624326439290462 0.624628148506025
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3713 M419T4122 M419.2T68.7 419.200012207031 419.200012207031 419.200012207031 68.7040954559984 68.7040954559984 68.7040954559984 1 0 1 1740 1.63826758895443 0.386494502662244 0.763623576152738
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3714 M419T3977 M419.3T66.3 419.300018310547 419.300018310547 419.300018310547 66.2775890125567 66.2775890125567 66.2775890125567 1 1 0 2036 5.18337252151149 -0.792462459340471 0.565814342147601
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3715 M419T3523 M419.3T58.7 419.300018310547 419.300018310547 419.300018310547 58.7150650367137 58.7150650367137 58.7150650367137 1 0 1 404 5.35647497240828 1.85817951360916 0.252663635594623
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3716 M419T3671 M419.3T61.2 419.300018310547 419.300018310547 419.300018310547 61.1883757014775 61.1883757014775 61.1883757014775 1 1 0 437 1.12663006771514 -0.0840603766031529 0.940760383171338
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3717 M419T2853 M419.4T47.5 419.399993896484 419.399993896484 419.399993896484 47.5489358328775 47.5489358328775 47.5489358328775 1 0 1 4260 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3718 M420T2872 M419.9T47.9 419.899993896484 419.899993896484 419.899993896484 47.8683258748499 47.8683258748499 47.8683258748499 1 1 0 4759 Inf -1.16322785268034 0.452054271331495
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3719 M420T2931 M419.9T48.9 419.899993896484 419.899993896484 419.899993896484 48.8518426113699 48.8518426113699 48.8518426113699 1 0 1 3627 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3720 M420T2587 M419.9T43.1 419.899993896484 419.899993896484 419.899993896484 43.1106014146668 43.1106014146668 43.1106014146668 1 0 1 2896 4.37565999888765 0.897457039007433 0.517917217982135
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3721 M420T4020 M419.9T67 419.899993896484 419.899993896484 419.899993896484 66.9964991996827 66.9964991996827 66.9964991996827 1 0 1 5577 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3722 M420T4131 M420T68.8 420 420 420 68.848845897245 68.7535956844859 68.9440961100042 2 1 1 23 2.36148325520357 -0.56308962170568 0.666716694157478
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3723 M420T3155 M420T52.6 420 420 420 52.5832662105394 52.5832662105394 52.5832662105394 1 0 1 [M+Cl]- 385.033 229 4.34072092338114 -0.749978868857412 0.580350388017952
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3724 M420T3878 M420.2T64.6 420.200012207031 420.200012207031 420.200012207031 64.6315632432903 64.6315632432903 64.6315632432903 1 1 0 55 2.78757670412397 -0.809828248530525 0.554314133194921
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3725 M420T3849 M420.2T64.2 420.200012207031 420.200012207031 420.200012207031 64.1582641533436 64.1582641533436 64.1582641533436 1 1 0 [M+Cl+NH3]- 368.207 21 3.31243685843259 -0.934219199222996 0.506838919829221
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3726 M420T4118 M420.2T68.6 420.200012207031 420.200012207031 420.200012207031 68.6287722971562 68.6287722971562 68.6287722971562 1 0 1 120 13.8204426329907 1.02906431948112 0.489139515151486
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3727 M420T3100 M420.3T51.7 420.300018310547 420.300018310547 420.300018310547 51.6625445204545 51.6625445204545 51.6625445204545 1 0 1 3139 7.02350239178952 0.84905809860365 0.54734223444492
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3728 M420T3908 M420.3T65.1 420.300018310547 420.300018310547 420.300018310547 65.1256297334466 65.1256297334466 65.1256297334466 1 1 0 4793 1.16294160100629 -0.106236396762771 0.925282757650011
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3729 M420T2710 M420.3T45.2 420.300018310547 420.300018310547 420.300018310547 45.1613969636253 45.1613969636253 45.1613969636253 1 0 1 5878 3.95718312823709 0.724519147175832 0.589408878845084
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3730 M420T2740 M420.3T45.7 420.300018310547 420.300018310547 420.300018310547 45.6593662294602 45.6593662294602 45.6593662294602 1 1 0 4434 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3731 M420T4204 M420.3T70.1 420.300018310547 420.300018310547 420.300018310547 70.0638491424957 70.0638491424957 70.0638491424957 1 1 0 5695 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3732 M420T4142 M420.3T69 420.300018310547 420.300018310547 420.300018310547 69.0401974996345 69.0401974996345 69.0401974996345 1 0 1 4230 1.42271756775629 0.581656473112037 0.636920895639959
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3733 M420T3545 M420.4T59.1 420.399993896484 420.399993896484 420.399993896484 59.0904474122774 59.0904474122774 59.0904474122774 1 0 1 2345 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3734 M420T4187 M420.4T69.8 420.399993896484 420.399993896484 420.399993896484 69.7759636871153 69.7759636871153 69.7759636871153 1 1 0 6064 Inf -1 0.5
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3735 M421T2688 M420.9T44.8 420.899993896484 420.899993896484 420.899993896484 44.8054099315593 44.8054099315593 44.8054099315593 1 1 0 655 Inf -2.78419130945602 0.21952002666332
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3736 M421T3691 M420.9T61.5 420.899993896484 420.899993896484 420.899993896484 61.5145265918963 61.5145265918963 61.5145265918963 1 1 0 5 Inf -1 0.5
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3737 M421T3073 M421T51.2 421 421 421 51.2135936215813 51.2135936215813 51.2135936215813 1 0 1 2432 Inf 1 0.5
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3738 M421T2785 M421T46.4 421 421 421 46.4226044213745 46.4226044213745 46.4226044213745 1 0 1 895 3.67923345944019 0.963511665308532 0.510345908263362
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3739 M421T3096 M421.2T51.6 421.200012207031 421.200012207031 421.200012207031 51.59858988199 51.59858988199 51.59858988199 1 1 0 5379 5.68628184959386 -2.78777985215764 0.189587592202137
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3740 M421T4214 M421.2T70.2 421.200012207031 421.200012207031 421.200012207031 70.2266944485552 70.2266944485552 70.2266944485552 1 0 1 5324 Inf 1 0.5
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3741 M421T3112 M421.3T51.9 421.300018310547 421.300018310547 421.300018310547 51.8739429217541 51.8739429217541 51.8739429217541 1 0 1 5347 Inf 1 0.5
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3742 M421T3868 M421.3T64.5 421.300018310547 421.300018310547 421.300018310547 64.4745500046352 64.4745500046352 64.4745500046352 1 1 0 [M-H-C3H2]- 460.331 21 4.17237440205554 -0.758575663736998 0.585910200045251
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3743 M421T3516 M421.3T58.6 421.300018310547 421.300018310547 421.300018310547 58.5944529096442 58.5944529096442 58.5944529096442 1 1 0 351 1.64743412130824 -1.71278152736338 0.280494472699865
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3744 M421T2714 M421.3T45.2 421.300018310547 421.300018310547 421.300018310547 45.2255634917378 45.2255634917378 45.2255634917378 1 0 1 2493 Inf 1 0.5
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3745 M421T3054 M421.3T50.9 421.300018310547 421.300018310547 421.300018310547 50.8947123968248 50.8947123968248 50.8947123968248 1 0 1 3492 Inf 1 0.5
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3746 M421T4050 M421.3T67.5 421.300018310547 421.300018310547 421.300018310547 67.4935162561624 67.4935162561624 67.4935162561624 1 1 0 3427 2.23086036254205 -0.611580552598098 0.636258648389813
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3747 M421T3379 M421.3T56.3 421.300018310547 421.300018310547 421.300018310547 56.3114934695469 56.3114934695469 56.3114934695469 1 1 0 1571 Inf -1 0.5
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3748 M421T4182 M421.3T69.7 421.300018310547 421.300018310547 421.300018310547 69.6947584361798 69.6947584361798 69.6947584361798 1 1 0 6007 Inf -5.66067677369441 0.111315060054647
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3749 M422T2863 M421.5T47.7 421.5 421.5 421.5 47.7125644540217 47.7125644540217 47.7125644540217 1 0 1 3648 Inf 1 0.5
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3750 M422T3517 M421.8T58.6 421.800018310547 421.800018310547 421.800018310547 58.6109404277618 58.6109404277618 58.6109404277618 1 0 1 405 1.89569817168539 -0.577913247390159 0.623149072029786
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3751 M422T3165 M421.9T52.8 421.899993896484 421.899993896484 421.899993896484 52.7581381428276 52.7581381428276 52.7581381428276 1 0 1 835 Inf 1 0.5
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3752 M422T3549 M422T59.1 422 422 422 59.1425533458878 59.1425533458878 59.1425533458878 1 0 1 2346 3.22537355085637 0.659011058158968 0.614144563941174
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3753 M422T4118 M422T68.6 422 422 422 68.626545094649 68.626545094649 68.626545094649 1 0 1 4560 1.80132248574022 0.801062247899821 0.569893706293914
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3754 M422T3620 M422T60.3 422 422 422 60.3365085272724 60.3365085272724 60.3365085272724 1 1 0 51 Inf -1 0.5
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3755 M422T2892 M422.1T48.2 422.100006103516 422.100006103516 422.100006103516 48.2036848007345 48.1833795870331 48.2239900144358 2 1 1 [68][M]- [M-H]- 423.106 [M-H-CH5N]- 454.139 95 3.86673063402012 -0.82434595339381 0.554977790989583
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3756 M422T3741 M422.1T62.3 422.100006103516 422.100006103516 422.100006103516 62.3458634953877 62.3458634953877 62.3458634953877 1 1 0 1057 3.1298940383809 -0.983301271936639 0.499237960100976
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3757 M422T3275 M422.1T54.6 422.100006103516 422.100006103516 422.100006103516 54.5854122290371 54.5854122290371 54.5854122290371 1 1 0 5018 1.54741700321375 -0.640689118058943 0.627141440955996
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3758 M422T3755 M422.2T62.6 422.200012207031 422.200012207031 422.200012207031 62.5833110048213 62.5833110048213 62.5833110048213 1 1 0 [M-H-HC2N]- 462.21 14 2.92513702192382 -0.772884837586998 0.580273299141746
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3759 M422T3624 M422.3T60.4 422.300018310547 422.300018310547 422.300018310547 60.3981225648155 60.3298787656251 60.4663663640059 2 2 0 26 3.73564341849642 -1.58061536176709 0.267941084986234
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3760 M422T3666 M422.3T61.1 422.300018310547 422.300018310547 422.300018310547 61.0975340621041 61.0975340621041 61.0975340621041 1 1 0 447 3.70633674412125 -0.70498242994391 0.596559722380385
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3761 M422T3796 M422.3T63.3 422.300018310547 422.300018310547 422.300018310547 63.2665560149177 63.2665560149177 63.2665560149177 1 0 1 123 2.75426223284291 1.36805973763889 0.309990949998368
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3762 M422T2918 M422.3T48.6 422.300018310547 422.300018310547 422.300018310547 48.6398626568051 48.6398626568051 48.6398626568051 1 1 0 2771 1.17863976275424 -0.150011131027436 0.904453665835992
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3763 M422T3308 M422.4T55.1 422.399993896484 422.399993896484 422.399993896484 55.1403209090725 55.1403209090725 55.1403209090725 1 1 0 540 4.44299667230136 -0.756014159448025 0.5782433864059
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3764 M422T3883 M422.4T64.7 422.399993896484 422.399993896484 422.399993896484 64.7249495620513 64.7249495620513 64.7249495620513 1 0 1 2243 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3765 M422T4078 M422.4T68 422.399993896484 422.399993896484 422.399993896484 67.9713176910834 67.9713176910834 67.9713176910834 1 1 0 3892 2.27631166984726 -0.539986250699574 0.674727355389491
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3766 M423T3754 M422.7T62.6 422.700012207031 422.700012207031 422.700012207031 62.569709744002 62.569709744002 62.569709744002 1 1 0 1058 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3767 M423T4143 M422.9T69 422.899993896484 422.899993896484 422.899993896484 69.0424107210837 69.0424107210837 69.0424107210837 1 1 0 4231 2.12157819380275 -0.478194991025209 0.695609989302795
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3768 M423T3741 M423T62.3 423 423 423 62.3458634953877 62.3458634953877 62.3458634953877 1 1 0 1059 7.2528027215669 -0.854042693713874 0.545752646484387
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3769 M423T3810 M423T63.5 423 423 423 63.504086851337 63.504086851337 63.504086851337 1 0 1 2391 Inf 1 0.5
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3770 M423T3571 M423T59.5 423 423 423 59.5098593155534 59.5098593155534 59.5098593155534 1 0 1 1672 Inf 1 0.5
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3771 M423T3247 M423.1T54.1 423.100006103516 423.100006103516 423.100006103516 54.1237801053014 54.0788937781829 54.1686664324199 2 2 0 1918 17.0553587147764 -4.2281357942568 0.143651427081135
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3772 M423T2893 M423.1T48.2 423.100006103516 423.100006103516 423.100006103516 48.2097870775546 48.2097870775546 48.2097870775546 1 1 0 [68][M+1]- 95 2.89268417639449 -0.847920399810531 0.55154685930821
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3773 M423T3883 M423.2T64.7 423.200012207031 423.200012207031 423.200012207031 64.7098459836957 64.7098459836957 64.7098459836957 2 1 0 [M+Cl]- 388.233 [M-H]- 424.206 41 7.18885115761043 -1.00923103300084 0.493020510695678
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3774 M423T3238 M423.2T54 423.200012207031 423.200012207031 423.200012207031 53.9609295625356 53.9609295625356 53.9609295625356 1 1 0 2716 8.52431421807777 -0.882669583840798 0.539613544031333
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3775 M423T2903 M423.2T48.4 423.200012207031 423.200012207031 423.200012207031 48.3851995143372 48.3851995143372 48.3851995143372 1 0 1 3917 Inf 62.3812022181189 0.0102044402182746
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3776 M423T3697 M423.3T61.6 423.300018310547 423.300018310547 423.300018310547 61.6160956964605 61.6160956964605 61.6160956964605 1 1 0 5484 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3777 M423T3316 M423.3T55.3 423.300018310547 423.300018310547 423.300018310547 55.271756888671 55.271756888671 55.271756888671 1 1 0 [M-H-C3H4]- 464.333 4 22.9813081413664 -1.61368291902509 0.35124744482148
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3778 M423T3809 M423.3T63.5 423.300018310547 423.300018310547 423.300018310547 63.4848268233574 63.4848268233574 63.4848268233574 1 1 0 3712 7.30192078131113 -0.855068417708653 0.545426145005124
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3779 M423T3008 M423.3T50.1 423.300018310547 423.300018310547 423.300018310547 50.1387276071103 50.1387276071103 50.1387276071103 1 0 1 2083 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3780 M423T4133 M423.4T68.9 423.399993896484 423.399993896484 423.399993896484 68.8851037723597 68.8851037723597 68.8851037723597 1 0 1 1496 8.75937456651398 0.880119740498438 0.537507657057071
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3781 M424T3970 M423.5T66.2 423.5 423.5 423.5 66.1592124199295 66.1592124199295 66.1592124199295 1 0 1 2037 Inf 1 0.5
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3782 M424T3528 M423.9T58.8 423.899993896484 423.899993896484 423.899993896484 58.7938130459194 58.7938130459194 58.7938130459194 1 1 0 406 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3783 M424T3038 M423.9T50.6 423.899993896484 423.899993896484 423.899993896484 50.6372073861865 50.6372073861865 50.6372073861865 1 0 1 71 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3784 M424T3857 M424T64.3 424 424 424 64.279697433027 64.279697433027 64.279697433027 1 0 1 1385 Inf 1.37193539989563 0.400980069155201
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3785 M424T3421 M424T57 424 424 424 57.0178163473694 57.0178163473694 57.0178163473694 1 1 0 [M-H-HCN]- 452.01 855 Inf -1 0.5
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3786 M424T3236 M424T53.9 424 424 424 53.9374787335219 53.9374787335219 53.9374787335219 1 0 1 [M+Cl]- 389.033 [M-H-C7H6O2]- 547.035 54 1.19194288050994 -0.123367006424101 0.913396954182273
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3787 M424T3513 M424.1T58.6 424.100006103516 424.100006103516 424.100006103516 58.5570487040932 58.5570487040932 58.5570487040932 1 1 0 119 8.28591267973197 -2.45368798137779 0.204035327334327
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3788 M424T3536 M424.1T58.9 424.100006103516 424.100006103516 424.100006103516 58.9346009902854 58.9346009902854 58.9346009902854 1 0 1 1936 86.4345103738347 1.00955359408632 0.496936208955772
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3789 M424T4124 M424.1T68.7 424.100006103516 424.100006103516 424.100006103516 68.7273495296124 68.7273495296124 68.7273495296124 1 1 0 1730 3.38905030289082 -2.1165061203685 0.208303685233943
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3790 M424T3439 M424.1T57.3 424.100006103516 424.100006103516 424.100006103516 57.3103849225685 57.3103849225685 57.3103849225685 1 1 0 4883 Inf -1.81150388620152 0.321110068615192
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3791 M424T2950 M424.2T49.2 424.200012207031 424.200012207031 424.200012207031 49.1689841076333 49.1549400310025 49.1889511967688 3 2 1 [69][M]- 70 6.59450035671148 -0.993654369251393 0.500730873832471
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3792 M424T3147 M424.2T52.5 424.200012207031 424.200012207031 424.200012207031 52.4537788849829 52.4287045278577 52.4788532421081 2 1 1 64 1.40962201753454 -0.398715208846085 0.728681418579641
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3793 M424T3994 M424.2T66.6 424.200012207031 424.200012207031 424.200012207031 66.5613562354037 66.5423475209995 66.580364949808 2 1 1 [M-H]- 425.208 118 3.70232339766907 -1.45691373032367 0.323536666696155
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3794 M424T3881 M424.2T64.7 424.200012207031 424.200012207031 424.200012207031 64.6837666087692 64.6837666087692 64.6837666087692 1 1 0 132 6.41595178165766 -1.92227125637596 0.304084532625136
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3795 M424T3550 M424.2T59.2 424.200012207031 424.200012207031 424.200012207031 59.1686352975791 59.1686352975791 59.1686352975791 1 0 1 2320 2.47982175440853 0.599901541378774 0.639356438360859
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3796 M424T4108 M424.3T68.5 424.300018310547 424.300018310547 424.300018310547 68.4711504706088 68.4711504706088 68.4711504706088 1 0 1 [M-H]- 425.304 [M-H-C3H6O2]- 499.335 43 1.14170528400573 0.120331978007822 0.922026780870588
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3797 M424T2732 M424.3T45.5 424.300018310547 424.300018310547 424.300018310547 45.5288689149464 45.5288689149464 45.5288689149464 1 1 0 2494 4.27943264662664 -0.746221455116638 0.581669717614867
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3798 M424T3353 M424.3T55.9 424.300018310547 424.300018310547 424.300018310547 55.8838787788566 55.8838787788566 55.8838787788566 1 0 1 732 1.15369443027986 0.130128754057786 0.916175016600284
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3799 M424T4009 M424.3T66.8 424.300018310547 424.300018310547 424.300018310547 66.8205274164213 66.8205274164213 66.8205274164213 1 1 0 5222 5.31378363974974 -0.968167413523953 0.497617047656064
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3800 M424T2930 M424.3T48.8 424.300018310547 424.300018310547 424.300018310547 48.8327454465577 48.8327454465577 48.8327454465577 1 0 1 3628 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3801 M424T3310 M424.4T55.2 424.399993896484 424.399993896484 424.399993896484 55.1692582034151 55.1692582034151 55.1692582034151 1 0 1 541 Inf 1 0.5
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3802 M424T3461 M424.5T57.7 424.5 424.5 424.5 57.6800603677098 57.6800603677098 57.6800603677098 1 0 1 1275 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3803 M425T4058 M424.6T67.6 424.600006103516 424.600006103516 424.600006103516 67.6314152406866 67.6314152406866 67.6314152406866 1 1 0 4701 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3804 M425T2872 M424.9T47.9 424.899993896484 424.899993896484 424.899993896484 47.8683258748499 47.8683258748499 47.8683258748499 1 1 0 133 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3805 M425T3072 M425T51.2 425 425 425 51.2062793494461 51.2062793494461 51.2062793494461 1 0 1 2433 3.18937973376537 2.09753268246309 0.252443257612979
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3806 M425T3307 M425T55.1 425 425 425 55.116771308306 55.116771308306 55.116771308306 1 0 1 542 Inf 1.27995039984677 0.422220106563463
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lecorguille
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3807 M425T3115 M425T51.9 425 425 425 51.9139120645923 51.9139120645923 51.9139120645923 1 1 0 5974 2.00007551990701 -0.447233858954316 0.711712043198423
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3808 M425T3211 M425T53.5 425 425 425 53.5199842033022 53.5199842033022 53.5199842033022 1 0 1 4323 Inf 3.20253864417091 0.192678814123566
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3809 M425T3734 M425T62.2 425 425 425 62.2321706802126 62.2321706802126 62.2321706802126 1 1 0 3568 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3810 M425T3181 M425T53 425 425 425 53.0236247448201 53.0236247448201 53.0236247448201 1 1 0 40 19.2199653748938 -2.61822851924777 0.224052344299863
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3811 M425T3853 M425.1T64.2 425.100006103516 425.100006103516 425.100006103516 64.2177693629018 64.2177693629018 64.2177693629018 1 1 0 1386 1.69597501796723 -0.371242293212987 0.758191223963921
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3812 M425T4182 M425.1T69.7 425.100006103516 425.100006103516 425.100006103516 69.6974427116147 69.6974427116147 69.6974427116147 1 1 0 6008 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3813 M425T3231 M425.1T53.9 425.100006103516 425.100006103516 425.100006103516 53.8581637943718 53.8581637943718 53.8581637943718 1 1 0 2717 7.98213105164705 -1.09151941750291 0.4718888239121
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3814 M425T3657 M425.2T60.9 425.200012207031 425.200012207031 425.200012207031 60.9425957571376 60.9425957571376 60.9425957571376 1 1 0 [M-H-H6O3]- 480.232 47 2.26428196093763 -0.935132456520573 0.516945696185383
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3815 M425T3002 M425.2T50 425.200012207031 425.200012207031 425.200012207031 50.0332028104829 50.0332028104829 50.0332028104829 1 0 1 4090 1.30085931915231 0.274616846819005 0.818205899206338
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3816 M425T2950 M425.2T49.2 425.200012207031 425.200012207031 425.200012207031 49.1689841076333 49.1689841076333 49.1689841076333 1 1 0 [69][M+1]- 70 6.79751724642769 -1.02157878938087 0.491826340772051
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3817 M425T3077 M425.3T51.3 425.300018310547 425.300018310547 425.300018310547 51.2843340759674 51.2843340759674 51.2843340759674 1 0 1 5538 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3818 M425T3722 M425.3T62 425.300018310547 425.300018310547 425.300018310547 62.0256451257484 62.0256451257484 62.0256451257484 1 1 0 3446 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3819 M425T2756 M425.3T45.9 425.300018310547 425.300018310547 425.300018310547 45.9364401828015 45.9364401828015 45.9364401828015 1 0 1 5822 4.96189570959518 0.782726449896774 0.569087512326011
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3820 M425T3239 M425.3T54 425.300018310547 425.300018310547 425.300018310547 53.9897560694855 53.9897560694855 53.9897560694855 1 0 1 3467 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3821 M426T3175 M425.5T52.9 425.5 425.5 425.5 52.9170895003567 52.9170895003567 52.9170895003567 1 0 1 752 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3822 M426T4392 M425.8T73.2 425.800018310547 425.800018310547 425.800018310547 73.1952537127173 73.1952537127173 73.1952537127173 1 1 0 323 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3823 M426T3310 M425.9T55.2 425.899993896484 425.899993896484 425.899993896484 55.1666207548031 55.1666207548031 55.1666207548031 1 1 0 543 1.63963343408325 -0.333052179086759 0.776474773151268
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3824 M426T2522 M425.9T42 425.899993896484 425.899993896484 425.899993896484 42.0294881126804 42.0294881126804 42.0294881126804 1 1 0 5052 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3825 M426T3399 M425.9T56.7 425.899993896484 425.899993896484 425.899993896484 56.6506000648704 56.6506000648704 56.6506000648704 1 1 0 1327 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3826 M426T2893 M426T48.2 426 426 426 48.2097870775546 48.2097870775546 48.2097870775546 1 1 0 3830 1.15536471793374 -0.127200097881469 0.916331987932103
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3827 M426T3692 M426T61.5 426 426 426 61.531061010891 61.531061010891 61.531061010891 1 0 1 598 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3828 M426T2633 M426T43.9 426 426 426 43.8823697168634 43.8823697168634 43.8823697168634 1 0 1 2620 2.63563716735943 2.48807740703261 0.130632261119815
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3829 M426T2924 M426T48.7 426 426 426 48.7280350565451 48.7280350565451 48.7280350565451 1 1 0 [M+Cl]- 391.025 [M-H]- 427.006 60 3.072351753394 -0.641396877766672 0.621186924449264
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3830 M426T3458 M426T57.6 426 426 426 57.6312967005008 57.6312967005008 57.6312967005008 1 0 1 1276 2.06125412738673 0.51226421094102 0.697252484379177
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3831 M426T4118 M426T68.6 426 426 426 68.6287722971562 68.6287722971562 68.6287722971562 1 0 1 4561 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3832 M426T4209 M426T70.1 426 426 426 70.1493728202669 70.1493728202669 70.1493728202669 1 0 1 4931 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3833 M426T4377 M426T72.9 426 426 426 72.9474025149842 72.9474025149842 72.9474025149842 1 0 1 6216 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3834 M426T3547 M426T59.1 426 426 426 59.1164907588542 59.1164907588542 59.1164907588542 1 0 1 44 3.16335246580235 0.674805746758783 0.617337777700063
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3835 M426T3207 M426T53.4 426 426 426 53.4418189432457 53.4418189432457 53.4418189432457 1 0 1 4324 3.95595155037366 0.724429332268435 0.589441343314112
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3836 M426T3393 M426T56.5 426 426 426 56.5471512068392 56.5471512068392 56.5471512068392 1 1 0 489 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3837 M426T3011 M426.1T50.2 426.100006103516 426.100006103516 426.100006103516 50.1750778868324 50.1368954982086 50.222772573896 4 2 2 [70][M]- [M-H]- 427.112 37 1.03255688705188 0.335586534578857 0.782440734242469
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3838 M426T4307 M426.1T71.8 426.100006103516 426.100006103516 426.100006103516 71.7868037127173 71.7868037127173 71.7868037127173 1 1 0 275 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3839 M426T4113 M426.2T68.5 426.200012207031 426.200012207031 426.200012207031 68.5437143492201 68.5437143492201 68.5437143492201 1 1 0 43 83.3855984933227 -1.03563601046249 0.488842528534325
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3840 M426T2845 M426.2T47.4 426.200012207031 426.200012207031 426.200012207031 47.4148965968474 47.4148965968474 47.4148965968474 1 1 0 5523 1.46765519261479 -0.554554374109256 0.677606412786368
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3841 M426T4136 M426.2T68.9 426.200012207031 426.200012207031 426.200012207031 68.9374216510452 68.9374216510452 68.9374216510452 1 1 0 [M-H-C2H4O2]- 487.23 99 142.275768361757 -1.03784494349481 0.488178288741835
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3842 M426T3749 M426.2T62.5 426.200012207031 426.200012207031 426.200012207031 62.479287436053 62.479287436053 62.479287436053 1 0 1 [M-H-H2O]- 445.212 14 44.124852154143 0.981349610490954 0.505895420110995
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3843 M426T2537 M426.2T42.3 426.200012207031 426.200012207031 426.200012207031 42.2903047793471 42.2903047793471 42.2903047793471 1 1 0 5912 5.067704906307 -0.787486715173407 0.567483130704371
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3844 M426T3856 M426.2T64.3 426.200012207031 426.200012207031 426.200012207031 64.2640666387519 64.2640666387519 64.2640666387519 1 1 0 [71][M]- [M-H]- 427.212 21 2.04183030071048 -0.462099164659121 0.703774827013826
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3845 M426T4176 M426.2T69.6 426.200012207031 426.200012207031 426.200012207031 69.5927325930257 69.5927325930257 69.5927325930257 1 1 0 [M-H]- 427.211 115 82.0774814538669 -1.01751460479382 0.494459155160989
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3846 M426T4210 M426.2T70.2 426.200012207031 426.200012207031 426.200012207031 70.168531901892 70.168531901892 70.168531901892 1 1 0 [M-H]- 427.211 140 679.122738730428 -1.00539068980667 0.498288703297823
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3847 M426T3055 M426.2T50.9 426.200012207031 426.200012207031 426.200012207031 50.9246441069295 50.9246441069295 50.9246441069295 1 0 1 3493 3.16417715144386 2.47341040778997 0.187829858453305
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3848 M426T3819 M426.2T63.7 426.200012207031 426.200012207031 426.200012207031 63.6505754124772 63.6505754124772 63.6505754124772 1 1 0 1885 1.02287287592532 -0.0161139268997675 0.988606669875219
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3849 M426T3553 M426.3T59.2 426.300018310547 426.300018310547 426.300018310547 59.2195725309129 59.1595740226939 59.279571039132 2 1 1 5991 1.32804962095115 -0.197329879157866 0.863026190920139
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3850 M426T2713 M426.3T45.2 426.300018310547 426.300018310547 426.300018310547 45.2186603874129 45.2186603874129 45.2186603874129 1 1 0 2495 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3851 M426T3286 M426.3T54.8 426.300018310547 426.300018310547 426.300018310547 54.7710736069409 54.7710736069409 54.7710736069409 1 1 0 3796 6.22654555872782 -3.39556503280983 0.0794645589279734
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3852 M426T3781 M426.3T63 426.300018310547 426.300018310547 426.300018310547 63.0085289596449 63.0085289596449 63.0085289596449 1 1 0 3676 3.14553821306269 -0.727785807057326 0.578204451682182
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3853 M426T3839 M426.4T64 426.399993896484 426.399993896484 426.399993896484 63.977849295129 63.977849295129 63.977849295129 1 0 1 3167 1.75290472280155 0.37307843454341 0.752840915574475
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3854 M426T2807 M426.4T46.8 426.399993896484 426.399993896484 426.399993896484 46.7890116701889 46.7890116701889 46.7890116701889 1 0 1 6030 Inf 1.09494775031924 0.471166689539252
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3855 M426T3366 M426.4T56.1 426.399993896484 426.399993896484 426.399993896484 56.1058276918263 56.1058276918263 56.1058276918263 1 0 1 4659 4.60792876393062 3.366232345791 0.137371054285804
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3856 M426T4146 M426.4T69.1 426.399993896484 426.399993896484 426.399993896484 69.1018003546855 69.1018003546855 69.1018003546855 1 0 1 5616 Inf 3.30654131427691 0.186965938589309
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3857 M426T4389 M426.5T73.2 426.5 426.5 426.5 73.1560691816509 73.1560691816509 73.1560691816509 1 0 1 6240 Inf 1 0.5
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3858 M426T4227 M426.5T70.5 426.5 426.5 426.5 70.4512620842117 70.4512620842117 70.4512620842117 1 1 0 5423 6.95922379495578 -0.847599894719728 0.547808200871697
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3859 M427T2736 M426.8T45.6 426.800018310547 426.800018310547 426.800018310547 45.5977817252226 45.5977817252226 45.5977817252226 1 0 1 2496 Inf 1 0.5
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3860 M427T2584 M426.9T43.1 426.899993896484 426.899993896484 426.899993896484 43.0584347480001 43.0584347480001 43.0584347480001 1 0 1 5743 6.10172674017987 1.27979135232578 0.402830036632662
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3861 M427T4215 M426.9T70.3 426.899993896484 426.899993896484 426.899993896484 70.2524704926843 70.2524704926843 70.2524704926843 1 0 1 5321 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3862 M427T2869 M427T47.8 427 427 427 47.8161038168281 47.8161038168281 47.8161038168281 1 1 0 3649 4.58869756661537 -0.764138449056815 0.575430095642339
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3863 M427T2686 M427T44.8 427 427 427 44.7613459684195 44.7613459684195 44.7613459684195 1 0 1 [M+HCOO]- 382.006 6 1.02614497347879 -0.0784312041215913 0.945419578695757
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3864 M427T4144 M427T69.1 427 427 427 69.0660535572266 69.0660535572266 69.0660535572266 1 0 1 5833 Inf 1 0.5
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3865 M427T3761 M427T62.7 427 427 427 62.6892893594409 62.6892893594409 62.6892893594409 1 1 0 993 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3866 M427T3008 M427.1T50.1 427.100006103516 427.100006103516 427.100006103516 50.1387276071103 50.1368954982086 50.2485654109699 3 1 2 [70][M+1]- 37 1.03926850888227 -0.495395972570398 0.686957489501516
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diff changeset
3867 M427T3674 M427.1T61.2 427.100006103516 427.100006103516 427.100006103516 61.2256705374983 61.2256705374983 61.2256705374983 1 0 1 3705 1.0050065391588 -0.0117834617519098 0.992248265429782
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3868 M427T2642 M427.1T44 427.100006103516 427.100006103516 427.100006103516 44.0410062922056 44.0410062922056 44.0410062922056 1 0 1 5668 1.43244037398941 -0.40322241582216 0.725851512385587
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3869 M427T3749 M427.2T62.5 427.200012207031 427.200012207031 427.200012207031 62.479287436053 62.479287436053 62.479287436053 1 0 1 14 11.3500344977623 0.94395956043677 0.517584585895206
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3870 M427T3867 M427.2T64.4 427.200012207031 427.200012207031 427.200012207031 64.4483155999427 64.4483155999427 64.4483155999427 1 1 0 [71][M+1]- 21 5.04568341327331 -0.829776442180489 0.552468938116059
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3871 M427T3292 M427.3T54.9 427.300018310547 427.300018310547 427.300018310547 54.8699801087332 54.8699801087332 54.8699801087332 1 0 1 5760 1.46901423524008 -0.445711875442191 0.719742004157313
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3872 M427T4312 M427.3T71.9 427.300018310547 427.300018310547 427.300018310547 71.8650370460506 71.8650370460506 71.8650370460506 1 1 0 277 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3873 M427T2544 M427.3T42.4 427.300018310547 427.300018310547 427.300018310547 42.3946381126804 42.3946381126804 42.3946381126804 1 1 0 5161 1.07173396674584 -0.0489379392280067 0.965435185205776
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3874 M427T4190 M427.3T69.8 427.300018310547 427.300018310547 427.300018310547 69.8401217931534 69.8401217931534 69.8401217931534 1 0 1 6080 2.29948857332805 0.518236938495143 0.675738509819269
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3875 M427T2536 M427.4T42.3 427.399993896484 427.399993896484 427.399993896484 42.2617944711501 42.2617944711501 42.2617944711501 1 0 1 5781 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3876 M427T4010 M427.4T66.8 427.399993896484 427.399993896484 427.399993896484 66.8406292215857 66.8406292215857 66.8406292215857 1 0 1 5223 Inf 1 0.5
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lecorguille
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3877 M427T3623 M427.4T60.4 427.399993896484 427.399993896484 427.399993896484 60.3787861126104 60.3787861126104 60.3787861126104 1 0 1 1616 Inf 1 0.5
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lecorguille
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3878 M428T2942 M427.5T49 427.5 427.5 427.5 49.033368123759 49.033368123759 49.033368123759 1 0 1 2808 Inf 1 0.5
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lecorguille
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3879 M428T2958 M427.5T49.3 427.5 427.5 427.5 49.2990401143379 49.2990401143379 49.2990401143379 1 1 0 3259 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3880 M428T2751 M427.8T45.9 427.800018310547 427.800018310547 427.800018310547 45.8504320257908 45.8504320257908 45.8504320257908 1 0 1 4354 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3881 M428T2668 M427.9T44.5 427.899993896484 427.899993896484 427.899993896484 44.4743806019728 44.4743806019728 44.4743806019728 1 1 0 4048 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3882 M428T2585 M427.9T43.1 427.899993896484 427.899993896484 427.899993896484 43.0845180813334 43.0845180813334 43.0845180813334 1 0 1 5744 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3883 M428T4157 M428T69.3 428 428 428 69.285873051482 69.285873051482 69.285873051482 1 0 1 283 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3884 M428T4171 M428T69.5 428 428 428 69.5121396622068 69.5121396622068 69.5121396622068 1 1 0 5926 9.339682873283 -0.887855304521931 0.535080637784445
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3885 M428T3826 M428T63.8 428 428 428 63.7726724045011 63.7726724045011 63.7726724045011 1 1 0 1886 7.07156892430007 -0.850130638565705 0.5469997834316
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3886 M428T4131 M428.1T68.8 428.100006103516 428.100006103516 428.100006103516 68.8459997515187 68.8333775949274 68.85862190811 2 1 1 1497 5.21206682847233 -0.80747809647829 0.56719818076216
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3887 M428T2636 M428.1T43.9 428.100006103516 428.100006103516 428.100006103516 43.9335830065144 43.9335830065144 43.9335830065144 1 1 0 2626 4.98176946026037 -0.922604964400486 0.525479298957289
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3888 M428T3473 M428.3T57.9 428.300018310547 428.300018310547 428.300018310547 57.8842994067293 57.8842994067293 57.8842994067293 1 1 0 31 1.98681263942981 -0.495095395234424 0.706499640313511
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3889 M428T4343 M428.3T72.4 428.300018310547 428.300018310547 428.300018310547 72.3885457405337 72.3885457405337 72.3885457405337 1 0 1 6107 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3890 M428T3169 M428.3T52.8 428.300018310547 428.300018310547 428.300018310547 52.8173454554494 52.8173454554494 52.8173454554494 1 0 1 778 2.65199323019755 0.767020503527464 0.583423263768417
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3891 M428T4325 M428.4T72.1 428.399993896484 428.399993896484 428.399993896484 72.0755457405337 72.0755457405337 72.0755457405337 1 0 1 329 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3892 M428T4111 M428.4T68.5 428.399993896484 428.399993896484 428.399993896484 68.5236887576381 68.5236887576381 68.5236887576381 1 0 1 2307 Inf 1.18581549791346 0.446010954075838
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3893 M428T3703 M428.4T61.7 428.399993896484 428.399993896484 428.399993896484 61.7179601262685 61.7179601262685 61.7179601262685 1 1 0 1180 6.3642735065498 -0.832656841409617 0.55260991799717
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3894 M429T3089 M429T51.5 429 429 429 51.4775502194969 51.4775502194969 51.4775502194969 1 0 1 5955 6.13274520453867 0.826031548458521 0.554755675988992
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3895 M429T3858 M429T64.3 429 429 429 64.2965273024001 64.2965273024001 64.2965273024001 1 1 0 1387 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3896 M429T3699 M429T61.6 429 429 429 61.6421958967278 61.6421958967278 61.6421958967278 1 1 0 109 7.31362882897439 -1.7812571235689 0.297040650976199
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3897 M429T3865 M429.1T64.4 429.100006103516 429.100006103516 429.100006103516 64.410768979781 64.410768979781 64.410768979781 1 0 1 1388 3.20231628010582 0.9923985432426 0.45543641623824
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3898 M429T4089 M429.1T68.2 429.100006103516 429.100006103516 429.100006103516 68.1559710024869 68.1559710024869 68.1559710024869 1 0 1 4982 Inf 1.72541348440201 0.33439273993161
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3899 M429T4173 M429.1T69.6 429.100006103516 429.100006103516 429.100006103516 69.5565662589436 69.5565662589436 69.5565662589436 1 0 1 4397 3.09253066842617 0.92209748425903 0.483336787912374
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3900 M429T3886 M429.2T64.8 429.200012207031 429.200012207031 429.200012207031 64.7716780328698 64.7174644244759 64.840028836485 4 2 2 [72][M]- 2219 5.25932624878098 1.24730805352736 0.425778202944696
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3901 M429T4033 M429.2T67.2 429.200012207031 429.200012207031 429.200012207031 67.2200548271685 67.2103513376228 67.2297583167141 2 1 1 92 1.34132113403957 0.347395950151495 0.775383952219308
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3902 M429T4072 M429.2T67.9 429.200012207031 429.200012207031 429.200012207031 67.8641385135394 67.8092446566765 67.9190323704023 2 2 0 [73][M]- 96 2.18295935822178 -0.929817899796948 0.512679806334532
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3903 M429T2700 M429.2T45 429.200012207031 429.200012207031 429.200012207031 45.0066297489416 45.0066297489416 45.0066297489416 1 0 1 4869 3.94598390977653 1.24216363482489 0.381596302935354
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3904 M429T2945 M429.2T49.1 429.200012207031 429.200012207031 429.200012207031 49.0910170193413 49.0910170193413 49.0910170193413 1 1 0 [M-2H+Na]- 408.212 70 5.34838532027778 -0.993215040210498 0.498464265222615
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3905 M429T3978 M429.2T66.3 429.200012207031 429.200012207031 429.200012207031 66.3040690513673 66.3040690513673 66.3040690513673 1 1 0 2074 1.3295778475356 0.409356739837859 0.74977758069995
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3906 M429T2966 M429.2T49.4 429.200012207031 429.200012207031 429.200012207031 49.429214999819 49.429214999819 49.429214999819 1 1 0 3233 4.60971010092125 -0.852674234978869 0.550035016092338
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3907 M429T3917 M429.3T65.3 429.300018310547 429.300018310547 429.300018310547 65.2854766151483 65.1925041642146 65.3784490660821 2 1 1 5142 1.5744903902155 0.308002545967296 0.791742450269072
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3908 M429T2713 M429.3T45.2 429.300018310547 429.300018310547 429.300018310547 45.2135919506865 45.2135919506865 45.2135919506865 1 0 1 2449 Inf 1 0.5
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3909 M429T4088 M429.3T68.1 429.300018310547 429.300018310547 429.300018310547 68.128156441337 68.128156441337 68.128156441337 1 1 0 143 3.79953249550915 -0.721183011889699 0.594202553818087
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3910 M429T3272 M429.3T54.5 429.300018310547 429.300018310547 429.300018310547 54.5322146845416 54.5322146845416 54.5322146845416 1 1 0 5019 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3911 M429T3959 M429.3T66 429.300018310547 429.300018310547 429.300018310547 65.9794849294418 65.9794849294418 65.9794849294418 1 0 1 5460 3.15300794121501 0.671267229751248 0.617634665923491
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3912 M429T4183 M429.3T69.7 429.300018310547 429.300018310547 429.300018310547 69.7112637855637 69.7112637855637 69.7112637855637 1 0 1 5992 1.14804401667287 -0.108517003776026 0.923540581068107
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3913 M429T3309 M429.4T55.2 429.399993896484 429.399993896484 429.399993896484 55.1533222874907 55.1533222874907 55.1533222874907 1 0 1 544 4.94546144296779 0.781968338791443 0.569343747770354
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3914 M429T3417 M429.4T56.9 429.399993896484 429.399993896484 429.399993896484 56.9444770682723 56.9444770682723 56.9444770682723 1 0 1 874 Inf 1.35305167594965 0.405188863410147
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3915 M429T3459 M429.4T57.6 429.399993896484 429.399993896484 429.399993896484 57.6458359817028 57.6458359817028 57.6458359817028 1 1 0 1277 Inf -1.31223953926629 0.414549223568986
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3916 M430T2799 M429.8T46.7 429.800018310547 429.800018310547 429.800018310547 46.6582065040879 46.6582065040879 46.6582065040879 1 0 1 3936 6.00475819191591 0.822142807353769 0.556020343784765
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3917 M430T3856 M429.9T64.3 429.899993896484 429.899993896484 429.899993896484 64.2668957772125 64.2668957772125 64.2668957772125 1 0 1 1389 Inf 1 0.5
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3918 M430T2778 M429.9T46.3 429.899993896484 429.899993896484 429.899993896484 46.2937117304691 46.2937117304691 46.2937117304691 1 0 1 [M-H-C5H4]- 494.933 [M-H-C2F4]- 530.906 112 Inf 2.3231295371869 0.258773844212509
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3919 M430T2808 M429.9T46.8 429.899993896484 429.899993896484 429.899993896484 46.8026953729115 46.8026953729115 46.8026953729115 1 1 0 5947 Inf -1 0.5
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3920 M430T4143 M430T69 430 430 430 69.0423810881725 69.0423810881725 69.0423810881725 1 1 0 4232 Inf -1 0.5
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3921 M430T4130 M430T68.8 430 430 430 68.8333775949274 68.8333775949274 68.8333775949274 1 0 1 1498 2.97702228638362 0.629527196270258 0.626033477365559
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3922 M430T2630 M430T43.8 430 430 430 43.8294836382971 43.8294836382971 43.8294836382971 1 0 1 2621 1.11427794996134 0.164179388228249 0.885219083887186
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3923 M430T3758 M430T62.6 430 430 430 62.6326805698188 62.6326805698188 62.6326805698188 1 0 1 994 Inf 1 0.5
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3924 M430T2684 M430.1T44.7 430.100006103516 430.100006103516 430.100006103516 44.7307750514585 44.7137968229609 44.740270654862 4 2 2 [74][M]- [M-H+NaCOOH]- 363.113 6 1.0398274720893 -0.519527494241804 0.660479557434315
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3925 M430T3888 M430.2T64.8 430.200012207031 430.200012207031 430.200012207031 64.8034310387987 64.739925026941 64.8660337506906 3 1 2 [72][M+1]- 2220 8.80690074347535 1.34912074342808 0.40603917948714
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3926 M430T4075 M430.2T67.9 430.200012207031 430.200012207031 430.200012207031 67.9190323704023 67.9190323704023 67.9190323704023 1 1 0 [73][M+1]- 96 3.43098511458729 -3.90310132785239 0.115757981582946
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3927 M430T2557 M430.2T42.6 430.200012207031 430.200012207031 430.200012207031 42.6244995766058 42.6244995766058 42.6244995766058 1 1 0 3076 7.50514125220269 -1.55717110195502 0.343651336835563
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3928 M430T3880 M430.3T64.7 430.300018310547 430.300018310547 430.300018310547 64.6647686154376 64.6647686154376 64.6647686154376 1 1 0 4757 20.450413023753 -1.09574948354997 0.470031605660931
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3929 M430T3228 M430.3T53.8 430.300018310547 430.300018310547 430.300018310547 53.8068784299089 53.8068784299089 53.8068784299089 1 0 1 2718 3.1030507954206 1.0292424730452 0.435569266925641
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3930 M431T3964 M430.8T66.1 430.800018310547 430.800018310547 430.800018310547 66.061609161496 66.061609161496 66.061609161496 1 1 0 2038 Inf -1 0.5
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3931 M431T3403 M430.8T56.7 430.800018310547 430.800018310547 430.800018310547 56.723107687474 56.723107687474 56.723107687474 1 1 0 1328 Inf -1 0.5
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3932 M431T2640 M430.8T44 430.800018310547 430.800018310547 430.800018310547 43.9942392249112 43.9942392249112 43.9942392249112 1 1 0 5857 2.86688897634354 -0.614858738195259 0.632138338988242
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3933 M431T3332 M430.9T55.5 430.899993896484 430.899993896484 430.899993896484 55.539442159859 55.539442159859 55.539442159859 1 0 1 1112 Inf 1 0.5
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3934 M431T3865 M430.9T64.4 430.899993896484 430.899993896484 430.899993896484 64.4245704195963 64.4245704195963 64.4245704195963 1 0 1 1390 Inf 1 0.5
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3935 M431T3192 M430.9T53.2 430.899993896484 430.899993896484 430.899993896484 53.208244640453 53.208244640453 53.208244640453 1 0 1 30 Inf 1.42241214040633 0.390093462161522
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3936 M431T3691 M430.9T61.5 430.899993896484 430.899993896484 430.899993896484 61.5116474731666 61.5116474731666 61.5116474731666 1 1 0 599 Inf -1 0.5
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3937 M431T3542 M430.9T59 430.899993896484 430.899993896484 430.899993896484 59.0384345544177 59.0384345544177 59.0384345544177 1 0 1 2347 Inf 1 0.5
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3938 M431T3432 M430.9T57.2 430.899993896484 430.899993896484 430.899993896484 57.1946406784847 57.1946406784847 57.1946406784847 1 1 0 4917 Inf -3.78375234518986 0.164489975092316
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3939 M431T2888 M431T48.1 431 431 431 48.1413231506699 48.1413231506699 48.1413231506699 1 1 0 3831 Inf -1 0.5
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3940 M431T3549 M431T59.1 431 431 431 59.1425533458878 59.1425533458878 59.1425533458878 1 0 1 2348 1.66501756240542 0.34239779063773 0.77087090660645
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3941 M431T2718 M431T45.3 431 431 431 45.291709471704 45.291709471704 45.291709471704 1 0 1 49 2.82698918704201 1.63094850250518 0.285506995490761
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3942 M431T2584 M431T43.1 431 431 431 43.0727881126804 43.0727881126804 43.0727881126804 1 1 0 201 2.13450904489657 -1.12443600862467 0.411465226787425
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3943 M431T2663 M431T44.4 431 431 431 44.384846351531 44.384846351531 44.384846351531 1 1 0 2266 17.5130739585488 -0.984527357126049 0.504666981282996
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3944 M431T2685 M431.1T44.8 431.100006103516 431.100006103516 431.100006103516 44.757799067313 44.6872010390512 44.7931198317599 4 2 2 [74][M+1]- 6 1.12890408577475 -0.870057182290933 0.544135511533987
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3945 M431T4285 M431.1T71.4 431.100006103516 431.100006103516 431.100006103516 71.4085358483176 71.4085358483176 71.4085358483176 1 0 1 274 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3946 M431T3912 M431.1T65.2 431.100006103516 431.100006103516 431.100006103516 65.2034062761219 65.2034062761219 65.2034062761219 1 1 0 [M-H]- 432.11 135 2.51434066540087 -0.827704753854027 0.506761869568021
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3947 M431T3752 M431.1T62.5 431.100006103516 431.100006103516 431.100006103516 62.5304175417591 62.5304175417591 62.5304175417591 1 1 0 1060 6.92432656078424 -1.01461240678151 0.493995930725871
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3948 M431T3892 M431.2T64.9 431.200012207031 431.200012207031 431.200012207031 64.8634724389569 64.8450541988228 64.8818906790911 2 0 2 4895 5.21185378008027 1.10580439953136 0.467223714678947
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3949 M431T4074 M431.2T67.9 431.200012207031 431.200012207031 431.200012207031 67.8928886682196 67.8928886682196 67.8928886682196 1 1 0 [73][M+2]- 3856 2.82855702879911 -1.95806528193569 0.228076181349282
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3950 M431T2754 M431.3T45.9 431.300018310547 431.300018310547 431.300018310547 45.9021068964317 45.8165418949376 45.9876718979258 2 1 1 4355 1.88976295998478 -0.416158738942514 0.728513615161471
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
3951 M431T3189 M431.3T53.2 431.300018310547 431.300018310547 431.300018310547 53.1553321001629 53.1553321001629 53.1553321001629 1 0 1 2197 7.83160107429086 3.21104267657093 0.119403194119997
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3952 M431T3205 M431.3T53.4 431.300018310547 431.300018310547 431.300018310547 53.4157706780341 53.4157706780341 53.4157706780341 1 0 1 4280 3.59154504354913 1.51963680843857 0.355404776463229
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3953 M431T3006 M431.3T50.1 431.300018310547 431.300018310547 431.300018310547 50.1071372585916 50.1071372585916 50.1071372585916 1 1 0 4091 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3954 M431T2799 M431.3T46.7 431.300018310547 431.300018310547 431.300018310547 46.6582065040879 46.6582065040879 46.6582065040879 1 0 1 3936 Inf 1.79985765229578 0.322850308688827
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3955 M431T3135 M431.3T52.2 431.300018310547 431.300018310547 431.300018310547 52.2429098507451 52.2429098507451 52.2429098507451 1 0 1 4999 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3956 M431T3851 M431.3T64.2 431.300018310547 431.300018310547 431.300018310547 64.1847586311234 64.1847586311234 64.1847586311234 1 1 0 [M-H-C2H4]- 460.331 21 6.1401221866636 -0.960842287488382 0.503905962564948
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3957 M431T3757 M431.4T62.6 431.399993896484 431.399993896484 431.399993896484 62.6091555571529 62.6091555571529 62.6091555571529 1 0 1 938 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3958 M431T3948 M431.4T65.8 431.399993896484 431.399993896484 431.399993896484 65.8004117494083 65.8004117494083 65.8004117494083 1 1 0 3738 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3959 M432T2840 M431.8T47.3 431.800018310547 431.800018310547 431.800018310547 47.3390372548507 47.3390372548507 47.3390372548507 1 0 1 4637 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3960 M432T3752 M431.9T62.5 431.899993896484 431.899993896484 431.899993896484 62.5304175417591 62.5304175417591 62.5304175417591 1 1 0 1061 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3961 M432T4018 M431.9T67 431.899993896484 431.899993896484 431.899993896484 66.9705310443042 66.9705310443042 66.9705310443042 1 0 1 305 2.09096881568895 0.47069355080502 0.699452392716753
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3962 M432T2811 M431.9T46.8 431.899993896484 431.899993896484 431.899993896484 46.8443193592914 46.8443193592914 46.8443193592914 1 0 1 3298 5.21073937757422 -1.461036173375 0.343300777311038
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3963 M432T2872 M432T47.9 432 432 432 47.8683258748499 47.8683258748499 47.8683258748499 1 1 0 133 Inf -1.08911972354269 0.472858903424697
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3964 M432T2961 M432T49.3 432 432 432 49.3433641921201 49.3433641921201 49.3433641921201 1 0 1 3260 1.45884270827077 0.259426925129987 0.822313815546252
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3965 M432T3254 M432T54.2 432 432 432 54.2389952098244 54.2389952098244 54.2389952098244 1 1 0 1919 19.5236457940601 -3.71360356056341 0.152186606442279
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lecorguille
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3966 M432T3632 M432T60.5 432 432 432 60.5329059947465 60.5329059947465 60.5329059947465 1 1 0 2362 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3967 M432T3211 M432T53.5 432 432 432 53.5248981933595 53.5248981933595 53.5248981933595 1 1 0 4286 Inf -8.44479424760409 0.0750366318945983
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3968 M432T4051 M432T67.5 432 432 432 67.5198667782087 67.5198667782087 67.5198667782087 1 1 0 3404 Inf -3.72466388167626 0.166982268165738
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3969 M432T4074 M432.3T67.9 432.300018310547 432.300018310547 432.300018310547 67.8928886682196 67.8928886682196 67.99838347515 3 1 1 3852 2.25141631137931 -1.19555814978751 0.390442182076238
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3970 M432T4116 M432.3T68.6 432.300018310547 432.300018310547 432.300018310547 68.6025004657669 68.6025004657669 68.6025004657669 1 0 1 4562 17.6117769354923 0.941703013444769 0.518300518864657
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3971 M432T3304 M432.3T55.1 432.300018310547 432.300018310547 432.300018310547 55.0657288361012 55.0657288361012 55.0657288361012 1 1 0 5388 2.67956326398508 -0.587243395843775 0.643988829104874
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3972 M432T3098 M432.3T51.6 432.300018310547 432.300018310547 432.300018310547 51.6266425318122 51.6266425318122 51.6266425318122 1 1 0 5367 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3973 M432T2858 M432.3T47.6 432.300018310547 432.300018310547 432.300018310547 47.6275841482696 47.6275841482696 47.6275841482696 1 0 1 4261 2.18728513365591 0.493665490486447 0.687804945231647
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3974 M432T4163 M432.3T69.4 432.300018310547 432.300018310547 432.300018310547 69.3910831822368 69.3910831822368 69.3910831822368 1 0 1 6115 6.4917628668761 0.836097029800552 0.551499959859891
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3975 M432T4147 M432.3T69.1 432.300018310547 432.300018310547 432.300018310547 69.117751854209 69.117751854209 69.117751854209 1 0 1 5617 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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3976 M432T3471 M432.3T57.9 432.300018310547 432.300018310547 432.300018310547 57.8578729316147 57.8578729316147 57.8578729316147 1 1 0 1767 3.88549619544934 0.80849960553953 0.567064288506306
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3977 M432T4193 M432.4T69.9 432.399993896484 432.399993896484 432.399993896484 69.8909686497133 69.8909686497133 69.8909686497133 1 0 1 6165 4.24333021567832 0.743956434468758 0.582467883080255
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3978 M432T4008 M432.4T66.8 432.399993896484 432.399993896484 432.399993896484 66.8069370315905 66.8069370315905 66.8069370315905 1 1 0 5204 Inf -1 0.5
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3979 M433T2877 M432.8T47.9 432.800018310547 432.800018310547 432.800018310547 47.9467855749734 47.9467855749734 47.9467855749734 1 1 0 4734 Inf -1 0.5
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3980 M433T3728 M433T62.1 433 433 433 62.1322943738121 62.1322943738121 62.1322943738121 1 0 1 3536 1.28977359002839 -0.253196563169565 0.829367800189336
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3981 M433T3883 M433T64.7 433 433 433 64.7174644244759 64.7174644244759 64.7174644244759 1 1 0 2244 Inf -1 0.5
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3982 M433T3563 M433T59.4 433 433 433 59.3819642734255 59.3819642734255 59.3819642734255 1 1 0 1673 Inf -1 0.5
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3983 M433T3675 M433T61.3 433 433 433 61.2516813084134 61.2516813084134 61.2516813084134 1 1 0 3692 2.29303832196132 -0.51688360645829 0.676392576035745
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3984 M433T3615 M433T60.3 433 433 433 60.2531026958278 60.2531026958278 60.2531026958278 1 1 0 2561 4.64210052391745 -1.01146624801556 0.476516497302818
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3985 M433T3574 M433.1T59.6 433.100006103516 433.100006103516 433.100006103516 59.5631764964595 59.5631764964595 59.5631764964595 1 0 1 1674 1.07379416041974 0.0831462032864303 0.946632384999813
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3986 M433T3805 M433.2T63.4 433.200012207031 433.200012207031 433.200012207031 63.4195829543695 63.3457698290879 63.4933960796511 2 0 2 58 1.03918987409308 -0.0909606425098181 0.940920161129815
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3987 M433T2694 M433.2T44.9 433.200012207031 433.200012207031 433.200012207031 44.897354881768 44.897354881768 44.897354881768 1 0 1 199 3.12752963251499 0.647943593657387 0.618548844249647
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3988 M433T2619 M433.2T43.6 433.200012207031 433.200012207031 433.200012207031 43.6417162432725 43.6417162432725 43.6417162432725 1 1 0 2651 2.19583113823199 -0.755684271730821 0.531471038387413
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3989 M433T2765 M433.2T46.1 433.200012207031 433.200012207031 433.200012207031 46.0880595099537 46.0880595099537 46.0880595099537 1 1 0 3804 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3990 M433T3448 M433.3T57.5 433.300018310547 433.300018310547 433.300018310547 57.4737949279535 57.4737949279535 57.4737949279535 1 0 1 2928 4.92763600356732 0.781140191602109 0.569623885185056
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3991 M433T3291 M433.3T54.9 433.300018310547 433.300018310547 433.300018310547 54.8504091206621 54.8504091206621 54.8504091206621 1 1 0 2113 Inf -1.12129932910498 0.463636649376149
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3992 M433T3017 M433.3T50.3 433.300018310547 433.300018310547 433.300018310547 50.2914608754902 50.2914608754902 50.2914608754902 1 1 0 2147 10.7047994605362 -4.3539252864832 0.0819376154687985
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3993 M433T3894 M433.3T64.9 433.300018310547 433.300018310547 433.300018310547 64.9080394984728 64.9080394984728 64.9080394984728 1 0 1 4903 Inf 1.37376075687479 0.400577235670637
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3994 M433T2898 M433.3T48.3 433.300018310547 433.300018310547 433.300018310547 48.3081744087354 48.3081744087354 48.3081744087354 1 0 1 4776 Inf 1.6333863328016 0.349733460487444
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3995 M433T3752 M433.4T62.5 433.399993896484 433.399993896484 433.399993896484 62.5312392052914 62.5312392052914 62.5312392052914 1 0 1 1030 Inf 1 0.5
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3996 M433T3511 M433.4T58.5 433.399993896484 433.399993896484 433.399993896484 58.5157019193259 58.5157019193259 58.5157019193259 1 1 0 4526 3.07290246904583 -0.843134511036446 0.519971949883861
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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3997 M433T3590 M433.4T59.8 433.399993896484 433.399993896484 433.399993896484 59.8364159983693 59.8364159983693 59.8364159983693 1 1 0 28 Inf -1.39082887835038 0.396844145522316
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3998 M434T4086 M433.5T68.1 433.5 433.5 433.5 68.1020184864605 68.1020184864605 68.1020184864605 1 1 0 4961 Inf -1 0.5
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3999 M434T2703 M433.8T45 433.800018310547 433.800018310547 433.800018310547 45.0422419040565 45.0015653276679 45.082918480445 2 1 1 4870 1.02922176539928 -0.0245225561997336 0.983124787045446
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4000 M434T3013 M433.9T50.2 433.899993896484 433.899993896484 433.899993896484 50.2114281665546 50.2114281665546 50.2114281665546 1 1 0 2084 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4001 M434T3377 M433.9T56.3 433.899993896484 433.899993896484 433.899993896484 56.2899640785298 56.2899640785298 56.2899640785298 1 1 0 1572 Inf -9.55123007779898 0.0664112144900342
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4002 M434T3524 M434T58.7 434 434 434 58.7409233247563 58.7409233247563 58.7409233247563 1 1 0 407 3.78651755715247 -0.71151072199424 0.59415001016334
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4003 M434T3114 M434T51.9 434 434 434 51.9003507448016 51.9003507448016 51.9003507448016 1 0 1 5975 1.22276684269061 0.141026737277953 0.901219558291652
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4004 M434T3750 M434T62.5 434 434 434 62.5007836454003 62.5007836454003 62.5007836454003 1 0 1 1062 1.67767451389249 -0.34697414873141 0.768145557027805
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4005 M434T4125 M434.1T68.7 434.100006103516 434.100006103516 434.100006103516 68.7423762338772 68.6523938666671 68.8323586010873 2 1 1 1464 1.70396049789931 1.06155315930196 0.455424169342934
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4006 M434T4037 M434.1T67.3 434.100006103516 434.100006103516 434.100006103516 67.2818438258993 67.2818438258993 67.2818438258993 1 0 1 3770 1.51655524029608 0.718037774212048 0.547378658179443
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4007 M434T4090 M434.2T68.2 434.200012207031 434.200012207031 434.200012207031 68.1613971222857 68.1613971222857 68.1613971222857 1 0 1 4960 1.47543907199127 -0.413578964839222 0.728323665977134
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4008 M434T4066 M434.2T67.8 434.200012207031 434.200012207031 434.200012207031 67.7736661645487 67.7736661645487 67.7736661645487 1 0 1 3893 14.7796258233346 3.31628313705374 0.164302695124946
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4009 M434T3247 M434.2T54.1 434.200012207031 434.200012207031 434.200012207031 54.1205501417581 54.1205501417581 54.1205501417581 1 0 1 1900 1.04458756343871 -0.0379400870754345 0.973778728592604
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4010 M434T3764 M434.3T62.7 434.300018310547 434.300018310547 434.300018310547 62.7406857536276 62.7390035588018 62.7423679484534 2 1 1 954 1.15926310340505 -0.124100856887533 0.913042411850099
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4011 M434T3921 M434.3T65.4 434.300018310547 434.300018310547 434.300018310547 65.3511159379398 65.3511159379398 65.3511159379398 1 1 0 2999 1.39185272534792 -8.02607978273467 0.0270249850534323
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4012 M434T3321 M434.3T55.4 434.300018310547 434.300018310547 434.300018310547 55.3532038820237 55.3532038820237 55.3532038820237 1 0 1 1131 1.4106375443304 0.237481863062453 0.836508358405445
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4013 M434T3070 M434.3T51.2 434.300018310547 434.300018310547 434.300018310547 51.1608945821892 51.1608945821892 51.1608945821892 1 0 1 2434 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4014 M434T3629 M434.3T60.5 434.300018310547 434.300018310547 434.300018310547 60.4857812117369 60.4857812117369 60.4857812117369 1 0 1 1617 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4015 M434T3975 M434.3T66.3 434.300018310547 434.300018310547 434.300018310547 66.2511083848454 66.2511083848454 66.2511083848454 1 1 0 2039 1.09288805876476 0.0627049120597251 0.955744053257876
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4016 M434T2733 M434.4T45.5 434.399993896484 434.399993896484 434.399993896484 45.5461336390221 45.5461336390221 45.5461336390221 1 0 1 2497 4.56771073034343 0.763000830722376 0.575822474785995
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4017 M434T3695 M434.5T61.6 434.5 434.5 434.5 61.5784981963348 61.5638726701083 61.5931237225614 2 1 1 600 1.78185866511126 -0.408979155242927 0.739886693549058
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4018 M434T3902 M434.5T65 434.5 434.5 434.5 65.0387550612303 65.0387550612303 65.0387550612303 1 0 1 4837 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4019 M434T3590 M434.5T59.8 434.5 434.5 434.5 59.8358257510657 59.8358257510657 59.8358257510657 1 1 0 1701 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4020 M435T3912 M434.8T65.2 434.800018310547 434.800018310547 434.800018310547 65.195563930308 65.195563930308 65.195563930308 1 0 1 4838 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4021 M435T3373 M434.8T56.2 434.800018310547 434.800018310547 434.800018310547 56.2088434381385 56.2088434381385 56.2088434381385 1 1 0 1573 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4022 M435T2840 M434.9T47.3 434.899993896484 434.899993896484 434.899993896484 47.3391704894125 47.3391704894125 47.3391704894125 1 0 1 4638 1.18965591929137 0.134651484358108 0.905216410007753
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4023 M435T2736 M434.9T45.6 434.899993896484 434.899993896484 434.899993896484 45.5942420663962 45.5942420663962 45.5942420663962 1 1 0 2498 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4024 M435T3164 M434.9T52.7 434.899993896484 434.899993896484 434.899993896484 52.7316395756493 52.7316395756493 52.7316395756493 1 0 1 836 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4025 M435T2590 M434.9T43.2 434.899993896484 434.899993896484 434.899993896484 43.1627514146668 43.1627514146668 43.1627514146668 1 0 1 2897 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4026 M435T2944 M435T49.1 435 435 435 49.0594090368738 49.0594090368738 49.0594090368738 1 0 1 2809 3.9731781232023 0.725680496759882 0.588989430124234
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4027 M435T3276 M435T54.6 435 435 435 54.591808217395 54.591808217395 54.591808217395 1 0 1 5020 2.35813266863415 0.530229806840251 0.669995740657682
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4028 M435T3731 M435T62.2 435 435 435 62.1848474490816 62.1848474490816 62.1848474490816 1 0 1 3569 3.14430721047084 0.649889499292885 0.617769452761004
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4029 M435T3385 M435T56.4 435 435 435 56.4141219407716 56.4141219407716 56.4141219407716 1 1 0 1574 3.74098050215839 -0.707837636380051 0.595503268259465
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4030 M435T3334 M435T55.6 435 435 435 55.5645285108978 55.5645285108978 55.5645285108978 1 0 1 1080 2.19031301886965 0.68335363448977 0.608838617042178
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4031 M435T3966 M435T66.1 435 435 435 66.1066461909734 66.1066461909734 66.1066461909734 1 0 1 2040 2.66283303949301 0.839739786771433 0.547060951151035
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4032 M435T4072 M435.1T67.9 435.100006103516 435.100006103516 435.100006103516 67.8617801767434 67.8617801767434 67.8617801767434 1 1 0 3858 3.3530439539228 -1.63049449226086 0.34435933327905
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4033 M435T4173 M435.1T69.5 435.100006103516 435.100006103516 435.100006103516 69.548925578163 69.548925578163 69.548925578163 1 0 1 4398 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4034 M435T4109 M435.4T68.5 435.399993896484 435.399993896484 435.399993896484 68.4912677521327 68.4912677521327 68.4912677521327 1 1 0 43 37.1089569908152 -1.39641169678476 0.39513551614469
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4035 M435T3340 M435.4T55.7 435.399993896484 435.399993896484 435.399993896484 55.6695374880051 55.6695374880051 55.6695374880051 1 1 0 179 Inf -2.1768349652086 0.27414694036609
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4036 M435T3397 M435.4T56.6 435.399993896484 435.399993896484 435.399993896484 56.6246929164813 56.6246929164813 56.6246929164813 1 1 0 490 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4037 M435T3922 M435.4T65.4 435.399993896484 435.399993896484 435.399993896484 65.3707090592266 65.3707090592266 65.3707090592266 1 0 1 3000 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4038 M436T3757 M435.5T62.6 435.5 435.5 435.5 62.6097822557779 62.6097822557779 62.6097822557779 1 1 0 995 Inf -1.33503417067136 0.409276044218921
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4039 M436T3963 M435.5T66.1 435.5 435.5 435.5 66.0540795330602 66.0540795330602 66.0540795330602 1 0 1 2041 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4040 M436T2888 M435.9T48.1 435.899993896484 435.899993896484 435.899993896484 48.1413231506699 48.1413231506699 48.1413231506699 1 1 0 3832 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4041 M436T2728 M435.9T45.5 435.899993896484 435.899993896484 435.899993896484 45.4652243811903 45.4652243811903 45.4652243811903 1 1 0 2499 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4042 M436T2782 M435.9T46.4 435.899993896484 435.899993896484 435.899993896484 46.3676942436727 46.3676942436727 46.3676942436727 1 0 1 4271 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4043 M436T4051 M435.9T67.5 435.899993896484 435.899993896484 435.899993896484 67.5149367166547 67.5149367166547 67.5149367166547 1 0 1 3428 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4044 M436T4065 M436T67.7 436 436 436 67.7478038898782 67.7478038898782 67.7478038898782 1 0 1 3894 1.02893770667414 0.0201681576424471 0.985741727934436
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4045 M436T4077 M436T67.9 436 436 436 67.9458542519814 67.9458542519814 67.9458542519814 1 0 1 96 1.90988489591729 0.473905677025788 0.716952926200699
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4046 M436T3129 M436T52.1 436 436 436 52.1495346245211 52.1495346245211 52.1495346245211 1 1 0 5317 2.45150888257176 -0.566347545663721 0.659609148480541
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4047 M436T3457 M436T57.6 436 436 436 57.6192757969965 57.6192757969965 57.6192757969965 1 1 0 1278 5.01214287313708 -0.785012731946333 0.568315978757141
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4048 M436T3920 M436T65.3 436 436 436 65.3261941974717 65.3261941974717 65.3261941974717 1 0 1 3001 11.4797657347604 0.909446237757975 0.528337325033335
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4049 M436T2768 M436T46.1 436 436 436 46.1404981498814 46.1404981498814 46.1404981498814 1 1 0 3805 9.81344247868408 -2.63240254457188 0.197177432209002
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4050 M436T3994 M436T66.6 436 436 436 66.5588520895505 66.5588520895505 66.5588520895505 1 1 0 4497 14.3072637389304 -0.927841824635311 0.522612514943322
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4051 M436T4139 M436.1T69 436.100006103516 436.100006103516 436.100006103516 68.9901597969697 68.9901597969697 68.9901597969697 1 1 0 4233 1.5555971994884 -0.30043771220386 0.79642194618893
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4052 M436T2930 M436.1T48.8 436.100006103516 436.100006103516 436.100006103516 48.8315744781086 48.8315744781086 48.8315744781086 1 1 0 3615 8.62350575368269 -1.06402439846284 0.474878964944527
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4053 M436T3627 M436.2T60.5 436.200012207031 436.200012207031 436.200012207031 60.4512100064874 60.4404516578618 60.4857812117369 4 2 2 [75][M]- [M-H-C2H2O]- 479.208 [M-H-NCO]- 479.208 26 1.02545444456849 0.184510502262992 0.878689965206017
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4054 M436T3666 M436.2T61.1 436.200012207031 436.200012207031 436.200012207031 61.0975340621041 61.0975340621041 61.0975340621041 1 1 0 [M-H-C4H4]- 489.235 [M-H-C3H6O2]- 511.233 2 3.40257656455677 -1.76777598500254 0.327681358447266
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4055 M436T2559 M436.2T42.7 436.200012207031 436.200012207031 436.200012207031 42.6505829099392 42.6505829099392 42.6505829099392 1 1 0 65 2.60992907801434 -0.576014131517362 0.648944556412401
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4056 M436T2945 M436.2T49.1 436.200012207031 436.200012207031 436.200012207031 49.0910170193413 49.0910170193413 49.0910170193413 1 1 0 70 1.77010543459963 -0.446671433239979 0.713218996817036
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4057 M436T2948 M436.3T49.1 436.300018310547 436.300018310547 436.300018310547 49.1376200421364 49.077294936913 49.220990790413 3 2 1 [M-H-NCO]- 479.307 70 1.09952139091893 0.118053860565322 0.921463042888717
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4058 M436T3657 M436.3T60.9 436.300018310547 436.300018310547 436.300018310547 60.9425957571376 60.9425957571376 60.9425957571376 1 1 0 2406 20.0281410110851 -0.948888210460631 0.516063129158453
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4059 M436T2646 M436.3T44.1 436.300018310547 436.300018310547 436.300018310547 44.0939255881932 44.0939255881932 44.0939255881932 1 0 1 5942 1.05764655828597 0.0396047462132771 0.972016175493089
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4060 M436T3726 M436.3T62.1 436.300018310547 436.300018310547 436.300018310547 62.1060311531104 62.1060311531104 62.1060311531104 1 0 1 4679 Inf 2.70097147403319 0.225738051952817
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4061 M436T2845 M436.4T47.4 436.399993896484 436.399993896484 436.399993896484 47.4178286246612 47.4178286246612 47.4178286246612 1 0 1 181 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4062 M436T3706 M436.4T61.8 436.399993896484 436.399993896484 436.399993896484 61.772415785973 61.772415785973 61.772415785973 1 1 0 1181 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4063 M436T3323 M436.4T55.4 436.399993896484 436.399993896484 436.399993896484 55.3768208593213 55.3768208593213 55.3768208593213 1 1 0 1146 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4064 M436T4012 M436.5T66.9 436.5 436.5 436.5 66.869652759186 66.8466930069908 66.8926125113813 2 1 1 5224 1.55177993527513 -0.298892332961551 0.797381717932207
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4065 M437T2981 M436.8T49.7 436.800018310547 436.800018310547 436.800018310547 49.6898138428882 49.6898138428882 49.6898138428882 1 1 0 4625 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4066 M437T2832 M436.9T47.2 436.899993896484 436.899993896484 436.899993896484 47.2080946372875 47.2080946372875 47.2080946372875 1 0 1 121 1.3287147957617 0.197666810791167 0.862800955761919
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4067 M437T3878 M436.9T64.6 436.899993896484 436.899993896484 436.899993896484 64.6384283091249 64.6384283091249 64.6384283091249 1 1 0 2746 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4068 M437T4214 M436.9T70.2 436.899993896484 436.899993896484 436.899993896484 70.2266944485552 70.2266944485552 70.2266944485552 1 0 1 5322 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4069 M437T2991 M436.9T49.8 436.899993896484 436.899993896484 436.899993896484 49.8462921221805 49.8462921221805 49.8462921221805 1 1 0 1838 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4070 M437T2954 M436.9T49.2 436.899993896484 436.899993896484 436.899993896484 49.240356448294 49.240356448294 49.240356448294 1 0 1 3189 6.88645649755403 0.845915189228305 0.548347094941861
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4071 M437T3227 M437T53.8 437 437 437 53.7814895523913 53.7814895523913 53.7814895523913 1 1 0 5506 2.54719824817531 -0.565401164756025 0.65370255612724
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4072 M437T3282 M437.1T54.7 437.100006103516 437.100006103516 437.100006103516 54.6961783457215 54.6167829483018 54.7755737431411 2 1 0 1222 1.55008560965169 -2.21492597526344 0.269799017971969
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4073 M437T3297 M437.1T54.9 437.100006103516 437.100006103516 437.100006103516 54.947299031165 54.947299031165 54.947299031165 1 0 1 2604 1.19121613580095 0.14977949416654 0.894787242975863
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4074 M437T3192 M437.1T53.2 437.100006103516 437.100006103516 437.100006103516 53.2075081399252 53.2075081399252 53.2075081399252 1 0 1 [76][M]- 1743 1.28979905709514 -0.196146400585687 0.863239123462447
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4075 M437T3215 M437.1T53.6 437.100006103516 437.100006103516 437.100006103516 53.5773282247933 53.5773282247933 53.5773282247933 1 1 0 [M-H]- 438.11 4280 1.38434565575025 -0.279244647228462 0.806434455196608
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4076 M437T3353 M437.2T55.9 437.200012207031 437.200012207031 437.200012207031 55.8780026880535 55.8780026880535 55.8780026880535 1 1 0 705 4.90534429449063 -0.972162588557476 0.506570397204154
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4077 M437T3258 M437.2T54.3 437.200012207031 437.200012207031 437.200012207031 54.292408350193 54.292408350193 54.292408350193 1 1 0 3605 26.0927834482498 -0.960969755524054 0.51229403910796
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4078 M437T3658 M437.2T61 437.200012207031 437.200012207031 437.200012207031 60.9684569543405 60.9684569543405 60.9684569543405 1 1 0 [M+Cl]- 402.225 [M-H-CN2H2]- 480.232 47 1.20967591677932 -0.474424567492154 0.706655360503469
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4079 M437T2788 M437.2T46.5 437.200012207031 437.200012207031 437.200012207031 46.4743610582872 46.4743610582872 46.4743610582872 1 0 1 903 1.93371885089802 0.547856799028839 0.675992787596531
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4080 M437T2634 M437.2T43.9 437.200012207031 437.200012207031 437.200012207031 43.9069896798045 43.9069896798045 43.9069896798045 1 1 0 2652 Inf -3.45280954060744 0.179467025198226
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4081 M437T3627 M437.2T60.4 437.200012207031 437.200012207031 437.200012207031 60.4455469845131 60.4455469845131 60.4455469845131 1 0 1 [75][M+1]- 26 1.15607502174337 0.553286015835551 0.641887684295921
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4082 M437T3103 M437.3T51.7 437.300018310547 437.300018310547 437.300018310547 51.7154087327806 51.7154087327806 51.7154087327806 1 0 1 3140 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4083 M437T4008 M437.4T66.8 437.399993896484 437.399993896484 437.399993896484 66.7920870162731 66.763646616125 66.8205274164213 2 1 1 5225 1.52500603955576 0.322921609448584 0.77898148130911
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4084 M437T3165 M437.4T52.7 437.399993896484 437.399993896484 437.399993896484 52.7418423703139 52.7418423703139 52.7418423703139 1 1 0 837 4.1958957585117 -0.740920227656108 0.583541218798904
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4085 M437T3969 M437.4T66.1 437.399993896484 437.399993896484 437.399993896484 66.1451987706191 66.1451987706191 66.1451987706191 1 1 0 2042 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4086 M437T3772 M437.4T62.9 437.399993896484 437.399993896484 437.399993896484 62.8688643545041 62.8688643545041 62.8688643545041 1 0 1 939 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4087 M438T4047 M437.5T67.4 437.5 437.5 437.5 67.4483638582461 67.4483638582461 67.4483638582461 1 1 0 4117 30.3057356980109 -0.966476936313858 0.510571868906674
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4088 M438T2793 M437.9T46.6 437.899993896484 437.899993896484 437.899993896484 46.5527161304661 46.5527161304661 46.5527161304661 1 0 1 [M+Cl]- 402.933 [M-H-CN2H2]- 480.93 12 1.3133503178743 0.251310045220324 0.833343165634914
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4089 M438T3909 M438T65.1 438 438 438 65.14329916541 65.14329916541 65.14329916541 1 0 1 4839 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4090 M438T3172 M438T52.9 438 438 438 52.8693499623457 52.8693499623457 52.8693499623457 1 0 1 779 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4091 M438T3111 M438T51.8 438 438 438 51.8475299886557 51.8475299886557 51.8475299886557 1 0 1 5348 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4092 M438T2797 M438T46.6 438 438 438 46.6172932111591 46.6172932111591 46.6172932111591 1 0 1 3941 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4093 M438T4182 M438T69.7 438 438 438 69.7067748896139 69.7067748896139 69.7067748896139 1 0 1 6009 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4094 M438T3444 M438.1T57.4 438.100006103516 438.100006103516 438.100006103516 57.3981853487844 57.2861297991323 57.4737949279535 4 2 2 [77][M]- [M+Cl]- 403.128 [M-H-HBr]- 519.032 62 1.45985264383026 -0.702649854478525 0.577846462707548
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4095 M438T3461 M438.1T57.7 438.100006103516 438.100006103516 438.100006103516 57.6828703029521 57.6828703029521 57.6828703029521 2 0 1 1254 1.16670378627645 -0.909447673308329 0.47667066480088
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4096 M438T3197 M438.1T53.3 438.100006103516 438.100006103516 438.100006103516 53.2895252705432 53.2895252705432 53.2895252705432 1 1 0 [76][M+1]- 1757 8.67049787021514 -1.06256136069232 0.475401515437614
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4097 M438T3987 M438.1T66.4 438.100006103516 438.100006103516 438.100006103516 66.4499946237471 66.4499946237471 66.4499946237471 1 0 1 4498 2.39214112978902 1.28249837110268 0.377340675748504
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4098 M438T4143 M438.1T69 438.100006103516 438.100006103516 438.100006103516 69.0423810881725 69.0423810881725 69.0423810881725 1 1 0 4234 7.8925319099902 -0.866371525227403 0.541840866945965
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4099 M438T3454 M438.2T57.6 438.200012207031 438.200012207031 438.200012207031 57.5661422598193 57.4727453031397 57.626046483049 3 2 1 [78][M]- [M+Cl]- 403.228 [M-H]- 439.205 [M-H-C2H2]- 465.211 19 1.08557392766228 -0.182926439421983 0.884537012873786
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4100 M438T3210 M438.2T53.5 438.200012207031 438.200012207031 438.200012207031 53.4987026834318 53.4987026834318 53.4987026834318 1 1 0 4281 1.77676856175596 -0.637320810601292 0.615783710163779
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4101 M438T4083 M438.2T68 438.200012207031 438.200012207031 438.200012207031 68.0497403499121 68.0497403499121 68.0497403499121 1 1 0 200 12.7268589599179 -4.00141321020248 0.153617939926136
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4102 M438T4195 M438.2T69.9 438.200012207031 438.200012207031 438.200012207031 69.9172826384991 69.9172826384991 69.9172826384991 1 0 1 6166 13.2865004517344 0.922127525659197 0.524389917018568
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4103 M438T4053 M438.3T67.6 438.300018310547 438.300018310547 438.300018310547 67.5518714602162 67.5462092090621 67.6314152406866 3 2 1 [M-H]- 439.305 77 11.0857782965181 -2.88148101082072 0.205230085788155
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4104 M438T3556 M438.3T59.3 438.300018310547 438.300018310547 438.300018310547 59.2731592349433 59.2731592349433 59.2731592349433 1 0 1 5588 2.22711142404799 0.502643357661451 0.683349203549269
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4105 M438T3540 M438.3T59 438.300018310547 438.300018310547 438.300018310547 59.0024969802978 59.0024969802978 59.0024969802978 1 0 1 1965 1.39978062118388 0.265972094164847 0.815459570485522
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4106 M438T3641 M438.3T60.7 438.300018310547 438.300018310547 438.300018310547 60.6860919996338 60.6860919996338 60.6860919996338 1 1 0 [M-H-CH3]- 454.331 59 5.83947572077295 -0.816860685729759 0.557744610058281
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4107 M438T3062 M438.3T51 438.300018310547 438.300018310547 438.300018310547 51.029436381012 51.029436381012 51.029436381012 1 0 1 5412 Inf 1.64867767310961 0.347097418013256
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4108 M438T2839 M438.3T47.3 438.300018310547 438.300018310547 438.300018310547 47.3091038574282 47.3091038574282 47.3091038574282 1 1 0 125 1.89462834629223 -0.469912054935538 0.719148174204021
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4109 M438T3885 M438.4T64.7 438.399993896484 438.399993896484 438.399993896484 64.7438197407878 64.7438197407878 64.7438197407878 1 1 0 2245 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4110 M438T4180 M438.4T69.7 438.399993896484 438.399993896484 438.399993896484 69.6712671024032 69.6712671024032 69.6712671024032 1 1 0 6010 8.12337505789353 -0.870328776440141 0.5405907377122
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4111 M438T2967 M438.4T49.5 438.399993896484 438.399993896484 438.399993896484 49.455262242501 49.455262242501 49.455262242501 1 1 0 3261 2.75580105747185 -0.633193929803168 0.638554023439391
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4112 M438T3991 M438.4T66.5 438.399993896484 438.399993896484 438.399993896484 66.515876976604 66.515876976604 66.515876976604 1 1 0 4499 Inf -1 0.5
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4113 M438T2977 M438.5T49.6 438.5 438.5 438.5 49.6116162859807 49.6116162859807 49.6116162859807 1 1 0 5283 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4114 M438T4135 M438.5T68.9 438.5 438.5 438.5 68.9109701073071 68.9109701073071 68.9109701073071 1 0 1 3981 Inf 1 0.5
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4115 M438T2950 M438.5T49.2 438.5 438.5 438.5 49.1632759659363 49.1632759659363 49.1632759659363 1 0 1 3190 4.36677195967507 0.75154347703533 0.579802735423985
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4116 M439T2934 M438.6T48.9 438.600006103516 438.600006103516 438.600006103516 48.8971335724859 48.8971335724859 48.8971335724859 1 1 0 2810 Inf -2.6051883610348 0.233325215179728
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4117 M439T2940 M438.8T49 438.800018310547 438.800018310547 438.800018310547 49.0073527178086 49.0073527178086 49.0073527178086 1 0 1 2792 1.04344288847226 0.0320548287004299 0.977367492434801
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4118 M439T3169 M438.9T52.8 438.899993896484 438.899993896484 438.899993896484 52.8201062340874 52.8201062340874 52.8201062340874 1 1 0 780 Inf -1 0.5
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4119 M439T2966 M438.9T49.4 438.899993896484 438.899993896484 438.899993896484 49.429214999819 49.429214999819 49.429214999819 1 1 0 3262 3.50526224926288 -0.721945788109064 0.586368700495406
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4120 M439T2892 M439T48.2 439 439 439 48.2004524687789 48.1970781341587 48.203826803399 2 0 2 3833 Inf 10.0686221426239 0.0630214171058978
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4121 M439T3272 M439T54.5 439 439 439 54.5322146845416 54.5322146845416 54.5322146845416 1 1 0 5021 Inf -1 0.5
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4122 M439T3959 M439T66 439 439 439 65.9863071445963 65.9863071445963 65.9863071445963 1 1 0 5908 Inf -1 0.5
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4123 M439T3411 M439T56.9 439 439 439 56.8529322802527 56.8529322802527 56.8529322802527 1 1 0 854 Inf -7.74374228996077 0.0817583969110434
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4124 M439T3377 M439T56.3 439 439 439 56.2858378510571 56.2858378510571 56.2858378510571 1 1 0 1575 4.83212660069173 -3.15660578969897 0.101690075645073
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4125 M439T3828 M439T63.8 439 439 439 63.7988134817832 63.7988134817832 63.7988134817832 1 1 0 1887 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4126 M439T3440 M439.1T57.3 439.100006103516 439.100006103516 439.100006103516 57.3414001780639 57.3391168075458 57.3436835485819 2 0 2 [77][M+1]- 62 1.08113920796917 0.400168460489334 0.743105068060244
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4127 M439T4108 M439.1T68.5 439.100006103516 439.100006103516 439.100006103516 68.4711504706088 68.4711504706088 68.4711504706088 1 0 1 43 3.60327251108662 0.734223365094387 0.581626896264895
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4128 M439T3728 M439.1T62.1 439.100006103516 439.100006103516 439.100006103516 62.1413166059448 62.1413166059448 62.1413166059448 1 0 1 3542 2.43193793187778 1.32230129783217 0.368164176153398
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4129 M439T3538 M439.1T59 439.100006103516 439.100006103516 439.100006103516 58.9605315141229 58.9605315141229 58.9605315141229 1 0 1 35 2.04568443450674 -1.08569052013908 0.404924379565684
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4130 M439T4130 M439.1T68.8 439.100006103516 439.100006103516 439.100006103516 68.8335388019452 68.8335388019452 68.8335388019452 1 1 0 1499 3.92035333062385 -1.63609424326846 0.344628662231645
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4131 M439T3455 M439.2T57.6 439.200012207031 439.200012207031 439.200012207031 57.5773277312198 57.5130008796504 57.5789997539544 3 1 2 [78][M+1]- 1260 1.59001495544341 2.42565282174518 0.136941194329729
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4132 M439T4072 M439.2T67.9 439.200012207031 439.200012207031 439.200012207031 67.8617801767434 67.8617801767434 67.8617801767434 2 1 0 96 3.74125547746296 -1.63194508991082 0.335712781371557
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4133 M439T4058 M439.3T67.6 439.300018310547 439.300018310547 439.300018310547 67.6314152406866 67.5462092090621 67.6702040136817 3 2 1 [M+Cl]- 404.333 129 15.4571985850941 -3.1989832148563 0.191110202324358
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4134 M439T3922 M439.3T65.4 439.300018310547 439.300018310547 439.300018310547 65.3589109835759 65.3589109835759 65.3589109835759 1 1 0 2966 1.47294075169149 -0.350924258777786 0.785099006274481
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4135 M439T2821 M439.3T47 439.300018310547 439.300018310547 439.300018310547 47.0161562612033 47.0161562612033 47.0161562612033 1 1 0 3299 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4136 M439T3129 M439.4T52.1 439.399993896484 439.399993896484 439.399993896484 52.1490122192665 52.1490122192665 52.1490122192665 1 0 1 163 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4137 M440T4021 M439.5T67 439.5 439.5 439.5 67.0224624063034 67.0224624063034 67.0224624063034 1 0 1 5578 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4138 M440T3904 M440T65.1 440 440 440 65.0604157244199 65.0604157244199 65.0604157244199 1 1 0 135 4.28887204223938 -3.28849879367898 0.187842874324423
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4139 M440T2654 M440T44.2 440 440 440 44.2264034756159 44.2264034756159 44.2264034756159 1 0 1 5844 1.30083390245342 0.612015502108748 0.635823397251058
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4140 M440T3986 M440T66.4 440 440 440 66.43645714967 66.43645714967 66.43645714967 1 1 0 4481 5.09908268560356 -0.788859419404243 0.56702191810694
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4141 M440T3142 M440.1T52.4 440.100006103516 440.100006103516 440.100006103516 52.3741475981541 52.3506439876142 52.3870500762717 3 1 2 3120 1.7138891901508 0.595361645243987 0.619862196235369
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4142 M440T3459 M440.1T57.6 440.100006103516 440.100006103516 440.100006103516 57.6458359817028 57.6458359817028 57.6458359817028 1 1 0 [M-H]- 441.106 19 3.33235415861345 -2.75577984481793 0.111434957928285
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4143 M440T3481 M440.2T58 440.200012207031 440.200012207031 440.200012207031 58.0162236857315 58.0162236857315 58.0162236857315 1 1 0 [M-H-NO2]- 487.204 31 1.03457590111628 -0.330667480305338 0.795710414193817
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4144 M440T2853 M440.2T47.5 440.200012207031 440.200012207031 440.200012207031 47.546201958519 47.546201958519 47.546201958519 1 1 0 111 1.28009684703965 0.457906159676275 0.6938831235991
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4145 M440T3444 M440.2T57.4 440.200012207031 440.200012207031 440.200012207031 57.4067412176714 57.4067412176714 57.4067412176714 1 1 0 [M-H-HBr]- 521.132 62 1.23277160160494 1.87430475248909 0.28107505309289
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4146 M440T3467 M440.2T57.8 440.200012207031 440.200012207031 440.200012207031 57.780968787484 57.780968787484 57.780968787484 1 1 0 [M+Cl]- 405.235 66 1.31547385203674 1.04154629821396 0.416036995561067
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4147 M440T4201 M440.2T70 440.200012207031 440.200012207031 440.200012207031 70.0115045250293 70.0115045250293 70.0115045250293 1 1 0 198 60.6801549759612 -11.5811051523683 0.0460438797063478
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4148 M440T4055 M440.3T67.6 440.300018310547 440.300018310547 440.300018310547 67.5889041135209 67.5725438039712 67.6052644230706 2 2 0 [M-H]- 441.307 77 14.0124726162249 -2.0845312692713 0.282906290865512
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4149 M440T3097 M440.3T51.6 440.300018310547 440.300018310547 440.300018310547 51.624893231595 51.624893231595 51.624893231595 1 1 0 5356 1.0424210027919 -0.0293668256897583 0.979243065627066
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4150 M440T2899 M440.3T48.3 440.300018310547 440.300018310547 440.300018310547 48.3153731170098 48.3153731170098 48.3153731170098 1 1 0 134 1.04868610174788 0.0532859065733918 0.962412471736225
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4151 M440T2774 M440.3T46.2 440.300018310547 440.300018310547 440.300018310547 46.2363947323242 46.2363947323242 46.2363947323242 1 1 0 5133 1.85855174261365 -0.461396272778789 0.724505413326432
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4152 M440T2722 M440.3T45.4 440.300018310547 440.300018310547 440.300018310547 45.3696302928497 45.3696302928497 45.3696302928497 1 0 1 2462 8.25936698306079 4.09791378326889 0.0671315006924955
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4153 M440T4045 M440.4T67.4 440.399993896484 440.399993896484 440.399993896484 67.4222089875073 67.4222089875073 67.4222089875073 1 1 0 106 2.66487297561513 -0.584920846406033 0.645007244098815
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4154 M440T2638 M440.4T44 440.399993896484 440.399993896484 440.399993896484 43.9675015875159 43.9675015875159 43.9675015875159 1 1 0 2653 7.03064812630035 -0.849218504320731 0.547291003694638
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4155 M440T3854 M440.4T64.2 440.399993896484 440.399993896484 440.399993896484 64.2376507802357 64.2376507802357 64.2376507802357 1 1 0 [M-H-C3H6O2]- 515.435 21 18.3212488466447 -0.944013442957233 0.517581325816691
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4156 M441T3976 M440.6T66.3 440.600006103516 440.600006103516 440.600006103516 66.2643266359994 66.2643266359994 66.2643266359994 1 0 1 2043 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4157 M441T3393 M440.9T56.5 440.899993896484 440.899993896484 440.899993896484 56.5425670665022 56.5425670665022 56.5425670665022 1 1 0 491 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4158 M441T4127_1 M441T68.8_1 441 441 441 68.7839434320847 68.7551909651299 68.8126958990395 2 1 1 [M+Cl]- 406.025 [M-H]- 442.006 23 1.92498619104417 0.426411634134734 0.722899894871019
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4159 M441T3165 M441T52.7 441 441 441 52.7418423703139 52.7418423703139 52.7418423703139 1 1 0 10 Inf -1 0.5
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4160 M441T2791 M441T46.5 441 441 441 46.5170629593961 46.5170629593961 46.5170629593961 1 0 1 915 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4161 M441T4111 M441.1T68.5 441.100006103516 441.100006103516 441.100006103516 68.5236887576381 68.5236887576381 68.5236887576381 1 0 1 [M-H-C2N2]- 494.106 43 1.4400021125746 0.346732802538816 0.767963283692813
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4162 M441T4127_2 M441.1T68.8_2 441.100006103516 441.100006103516 441.100006103516 68.7816594215337 68.7816594215337 68.7816594215337 1 0 1 [M-2H+Na]- 420.112 23 1.27441771480859 0.29173308772659 0.800853766370943
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4163 M441T3037 M441.2T50.6 441.200012207031 441.200012207031 441.200012207031 50.6110829014659 50.6110829014659 50.6110829014659 1 0 1 71 1.28963982822736 0.301485131879752 0.795067355074589
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4164 M441T2749 M441.2T45.8 441.200012207031 441.200012207031 441.200012207031 45.8165418949376 45.8165418949376 45.8165418949376 1 1 0 4356 3.2949434237889 -0.687477489566127 0.611845627080683
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4165 M441T3658 M441.2T61 441.200012207031 441.200012207031 441.200012207031 60.9684569543405 60.9684569543405 60.9684569543405 1 1 0 [M-H]- 442.209 47 3.27728161245059 -0.804531591830284 0.568565298958479
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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diff changeset
4166 M441T3481 M441.3T58 441.300018310547 441.300018310547 441.300018310547 58.0162236857315 58.0162236857315 58.0162236857315 1 1 0 1796 2.12999521147905 0.523832534686455 0.689355138338744
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4167 M441T4145 M441.3T69.1 441.300018310547 441.300018310547 441.300018310547 69.0755096763923 69.0755096763923 69.0755096763923 1 0 1 5834 3.30401587478278 0.667437690091619 0.610837053654852
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4168 M441T3672 M441.3T61.2 441.300018310547 441.300018310547 441.300018310547 61.2001485474757 61.2001485474757 61.2001485474757 1 1 0 [M-H-H2O]- 460.309 2 1.47891299978326 0.303949272557773 0.79424479523713
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4169 M441T2729 M441.3T45.5 441.300018310547 441.300018310547 441.300018310547 45.4910073783904 45.4910073783904 45.4910073783904 1 1 0 2500 Inf -2.22768191650234 0.268613050498844
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lecorguille
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4170 M441T3843 M441.3T64.1 441.300018310547 441.300018310547 441.300018310547 64.0566768308978 64.0566768308978 64.0566768308978 1 0 1 1391 4.94503657082885 2.17176953806158 0.181397965050162
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4171 M441T3892 M441.4T64.9 441.399993896484 441.399993896484 441.399993896484 64.8713368401868 64.8713368401868 64.8713368401868 1 0 1 4904 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4172 M441T2728 M441.4T45.5 441.399993896484 441.399993896484 441.399993896484 45.4677875324447 45.4677875324447 45.4677875324447 1 0 1 2501 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4173 M441T4052 M441.4T67.5 441.399993896484 441.399993896484 441.399993896484 67.5268251014762 67.5268251014762 67.5268251014762 1 1 0 3429 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4174 M442T3749 M441.6T62.5 441.600006103516 441.600006103516 441.600006103516 62.4776089558367 62.4776089558367 62.4776089558367 1 1 0 1063 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4175 M442T3755 M441.7T62.6 441.700012207031 441.700012207031 441.700012207031 62.5833110048213 62.5833110048213 62.5833110048213 1 1 0 1064 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4176 M442T3927 M441.9T65.5 441.899993896484 441.899993896484 441.899993896484 65.4568296282313 65.4568296282313 65.4568296282313 1 0 1 3002 Inf 1 0.5
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4177 M442T2763 M441.9T46 441.899993896484 441.899993896484 441.899993896484 46.048144281526 46.048144281526 46.048144281526 1 0 1 3806 Inf 1 0.5
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lecorguille
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4178 M442T2693 M442T44.9 442 442 442 44.8908698388873 44.8724460333738 44.9092936444008 2 1 1 5706 1.07997675691627 0.0743534759277895 0.950462224040823
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4179 M442T4119 M442T68.7 442 442 442 68.6517894076085 68.5762292856048 68.7273495296124 2 1 1 4563 1.89518402833329 0.444495013200427 0.721199375901626
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4180 M442T4045 M442T67.4 442 442 442 67.414430774077 67.414430774077 67.414430774077 1 1 0 4118 Inf -1 0.5
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4181 M442T3337 M442T55.6 442 442 442 55.6176931945718 55.6176931945718 55.6176931945718 1 0 1 1113 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4182 M442T3862 M442T64.4 442 442 442 64.3720112924064 64.3720112924064 64.3720112924064 1 0 1 [M-H-C3H2O3]- 529.007 21 2.57786229014041 -0.57064987920684 0.651340382197696
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4183 M442T4067 M442T67.8 442 442 442 67.7829690990797 67.7829690990797 67.7829690990797 1 1 0 3895 23.3441832226331 -1.20045266982989 0.441288001998296
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4184 M442T3453 M442.1T57.5 442.100006103516 442.100006103516 442.100006103516 57.547819664993 57.547819664993 57.547819664993 1 1 0 [M-H]- 443.107 74 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4185 M442T3668 M442.1T61.1 442.100006103516 442.100006103516 442.100006103516 61.1376453253415 61.1376453253415 61.1376453253415 1 1 0 [M-H+CF3COOH]- 329.109 2 Inf -2.27481118322665 0.263668255431076
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4186 M442T4117 M442.1T68.6 442.100006103516 442.100006103516 442.100006103516 68.6223988567907 68.6223988567907 68.6223988567907 1 1 0 120 1.60351207489157 -0.436716336264792 0.708983796138531
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4187 M442T3622 M442.2T60.4 442.200012207031 442.200012207031 442.200012207031 60.3700364728717 60.3700364728717 60.3700364728717 1 0 1 1598 4.54926031417692 0.981243815684206 0.503472918930262
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4188 M442T2632 M442.2T43.9 442.200012207031 442.200012207031 442.200012207031 43.8605261029407 43.8605261029407 43.8605261029407 1 1 0 2654 12.6914878300003 -1.58948902475186 0.350945072258035
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4189 M442T2517 M442.3T41.9 442.300018310547 442.300018310547 442.300018310547 41.9487944711501 41.9487944711501 41.9487944711501 1 0 1 5053 Inf 3.35434630234687 0.184448965167665
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4190 M442T3520 M442.3T58.7 442.300018310547 442.300018310547 442.300018310547 58.6618656936205 58.6618656936205 58.6618656936205 1 1 0 408 3.23571160614674 -0.87137728860102 0.5436646612629
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4191 M442T3631 M442.3T60.5 442.300018310547 442.300018310547 442.300018310547 60.520959033894 60.520959033894 60.520959033894 1 0 1 2363 13.622934809498 0.924107998145625 0.523773856798616
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4192 M442T3091 M442.4T51.5 442.399993896484 442.399993896484 442.399993896484 51.5190323101435 51.5190323101435 51.5190323101435 1 0 1 5356 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4193 M442T3380 M442.4T56.3 442.399993896484 442.399993896484 442.399993896484 56.3371477405252 56.3371477405252 56.3371477405252 1 1 0 1576 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4194 M442T3910 M442.5T65.2 442.5 442.5 442.5 65.1660796385041 65.1660796385041 65.1660796385041 1 1 0 4785 Inf -2.24528872764412 0.266745472053828
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4195 M443T2658 M442.9T44.3 442.899993896484 442.899993896484 442.899993896484 44.2989121430033 44.2651636329622 44.3326606530444 2 0 2 103 1.5772102453354 21.2244491989581 0.00648516283432388
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4196 M443T2684 M442.9T44.7 442.899993896484 442.899993896484 442.899993896484 44.740270654862 44.740270654862 44.740270654862 1 1 0 [M-H-C3H4]- 483.933 6 1.81828578521041 -1.02578044400289 0.430701262457731
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4197 M443T4141 M442.9T69 442.899993896484 442.899993896484 442.899993896484 69.0161660796057 69.0161660796057 69.0161660796057 1 1 0 4235 Inf -2.26394146453451 0.264793430446574
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4198 M443T2593 M442.9T43.2 442.899993896484 442.899993896484 442.899993896484 43.2243995766058 43.2243995766058 43.2243995766058 1 1 0 [79][M]- 2879 1.70490699281876 -0.765429159689507 0.580857100149919
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4199 M443T3159 M443T52.6 443 443 443 52.6419263083506 52.6419263083506 52.6419263083506 1 1 0 838 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4200 M443T2635 M443.1T43.9 443.100006103516 443.100006103516 443.100006103516 43.914017560564 43.914017560564 43.914017560564 1 1 0 2628 3.19288730190295 -1.91872942600331 0.305049554266933
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4201 M443T3219 M443.1T53.7 443.100006103516 443.100006103516 443.100006103516 53.6573223912139 53.6573223912139 53.6573223912139 1 0 1 4325 1.17165671517883 0.571660460094111 0.664754850976711
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4202 M443T2544 M443.2T42.4 443.200012207031 443.200012207031 443.200012207031 42.3946381126804 42.3946381126804 42.3946381126804 1 1 0 5162 2.13944426057137 -0.803687502183854 0.505919429733428
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4203 M443T3442 M443.2T57.4 443.200012207031 443.200012207031 443.200012207031 57.365765656916 57.365765656916 57.365765656916 1 0 1 2929 16.9361062206737 4.26212265542782 0.121165835925162
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4204 M443T3042 M443.2T50.7 443.200012207031 443.200012207031 443.200012207031 50.7070515720367 50.7070515720367 50.7070515720367 1 1 0 3224 3.12620847099983 -2.77484670463017 0.177873123362262
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4205 M443T3256 M443.3T54.3 443.300018310547 443.300018310547 443.300018310547 54.2651757860585 54.2651757860585 54.2651757860585 1 0 1 1920 1.68646655792073 0.350120970266863 0.766278762768257
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4206 M443T3523 M443.3T58.7 443.300018310547 443.300018310547 443.300018310547 58.7150650367137 58.7150650367137 58.7150650367137 1 0 1 409 1.21122799136314 0.676389982597909 0.568550920344193
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4207 M443T3054 M443.3T50.9 443.300018310547 443.300018310547 443.300018310547 50.9078537401197 50.9078537401197 50.9078537401197 1 1 0 3494 Inf -6.15034365869175 0.102611688174436
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4208 M443T4135 M443.3T68.9 443.300018310547 443.300018310547 443.300018310547 68.9118592356197 68.9118592356197 68.9118592356197 1 1 0 99 1.45638507127629 -0.288375751681793 0.811040839184692
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4209 M443T3619 M443.3T60.3 443.300018310547 443.300018310547 443.300018310547 60.3195783006915 60.3195783006915 60.3195783006915 1 0 1 2588 25.0058236085062 1.60080104568486 0.353879705772282
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4210 M443T4081 M443.4T68 443.399993896484 443.399993896484 443.399993896484 68.0192635878379 68.0192635878379 68.0192635878379 1 1 0 200 Inf -1.95290762099168 0.301278150067887
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4211 M443T3946 M443.4T65.8 443.399993896484 443.399993896484 443.399993896484 65.7744795566184 65.7744795566184 65.7744795566184 1 1 0 3739 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4212 M444T3703 M443.5T61.7 443.5 443.5 443.5 61.7204008509936 61.7204008509936 61.7204008509936 1 1 0 1182 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4213 M444T2720 M443.9T45.3 443.899993896484 443.899993896484 443.899993896484 45.3364448406363 45.3364448406363 45.3364448406363 1 1 0 2502 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4214 M444T2606 M443.9T43.4 443.899993896484 443.899993896484 443.899993896484 43.4330662432725 43.4330662432725 43.4330662432725 1 1 0 4014 1.2847613675263 0.257608330270711 0.839404843985433
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4215 M444T2586 M443.9T43.1 443.899993896484 443.899993896484 443.899993896484 43.0988714460137 43.0988714460137 43.0988714460137 1 1 0 [79][M+1]- 61 1.55525910492724 -0.399903625943566 0.727942959104624
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4216 M444T2703 M444T45 444 444 444 45.0464658424785 45.004203542541 45.0887281424159 2 0 2 136 2.45482961381055 0.954991825767478 0.473556219112962
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4217 M444T2662 M444T44.4 444 444 444 44.3592744980949 44.3592744980949 44.3592744980949 1 0 1 [M+Cl]- 409.03 42 1.13501464935145 -0.281395291442365 0.821974527598564
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4218 M444T2854 M444T47.6 444 444 444 47.5723129114763 47.5723129114763 47.5723129114763 1 1 0 111 5.41728070758788 -2.27686100769437 0.177678849592767
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4219 M444T2683 M444T44.7 444 444 444 44.7137721930535 44.7137721930535 44.7137721930535 1 1 0 [M-H+NaCOOH]- 377.03 6 2.31916515436894 -0.732383098541266 0.579996316454268
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4220 M444T4138 M444T69 444 444 444 68.9636800622515 68.9636800622515 68.9636800622515 1 1 0 3982 3.76485203659935 -0.709774297193052 0.594788941432595
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4221 M444T2684 M444.1T44.7 444.100006103516 444.100006103516 444.100006103516 44.727118938791 44.7137968229609 44.734431164126 3 1 2 [M+Cl+HCOOH]- 363.113 6 1.31862477724237 0.396513247513732 0.758799690932016
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4222 M444T3761 M444.1T62.7 444.100006103516 444.100006103516 444.100006103516 62.6870646660121 62.6870646660121 62.6870646660121 1 0 1 950 17.3382386013334 0.940760584382122 0.518593823320977
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4223 M444T2896 M444.2T48.3 444.200012207031 444.200012207031 444.200012207031 48.2626799398078 48.1777245677541 48.2727126568355 3 2 1 [M-H-H2]- 447.211 95 1.56732686890076 0.463127254975978 0.720606160268548
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4224 M444T2722 M444.2T45.4 444.200012207031 444.200012207031 444.200012207031 45.3614961692949 45.3614961692949 45.3614961692949 1 0 1 2453 1.72972904716074 0.516527688608476 0.676592787587162
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4225 M444T2638 M444.2T44 444.200012207031 444.200012207031 444.200012207031 43.9749350773505 43.9749350773505 43.9749350773505 1 0 1 2633 1.14720452470378 0.181292595813018 0.885818214486244
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4226 M444T3753 M444.2T62.6 444.200012207031 444.200012207031 444.200012207031 62.5568559688453 62.5568559688453 62.5568559688453 1 1 0 [M-H]- 445.212 14 1.06245518158369 -0.0544508961958232 0.961541632233634
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4227 M444T2882 M444.3T48 444.300018310547 444.300018310547 444.300018310547 48.0254466269442 48.0254466269442 48.0254466269442 1 1 0 4735 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4228 M444T3888 M444.3T64.8 444.300018310547 444.300018310547 444.300018310547 64.7965447309627 64.7965447309627 64.7965447309627 1 1 0 2246 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4229 M444T3856 M444.3T64.3 444.300018310547 444.300018310547 444.300018310547 64.2702681302482 64.2702681302482 64.2702681302482 1 1 0 1392 Inf -3.8790551192137 0.160620012901298
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4230 M444T3744 M444.3T62.4 444.300018310547 444.300018310547 444.300018310547 62.3985051571993 62.3985051571993 62.3985051571993 1 1 0 1065 11.0568368092556 -1.03141878314476 0.490128196385109
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4231 M444T4040 M444.3T67.3 444.300018310547 444.300018310547 444.300018310547 67.3336705133933 67.3336705133933 67.3336705133933 1 0 1 5309 Inf 2.52564520491815 0.240005735881521
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4232 M444T2994 M444.3T49.9 444.300018310547 444.300018310547 444.300018310547 49.9047093832245 49.9047093832245 49.9047093832245 1 1 0 1839 4.24298348875172 -0.743934491273898 0.582475626190176
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4233 M444T3739 M444.4T62.3 444.399993896484 444.399993896484 444.399993896484 62.319572107393 62.319572107393 62.319572107393 1 1 0 4715 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4234 M444T3202 M444.4T53.4 444.399993896484 444.399993896484 444.399993896484 53.3636837201586 53.3636837201586 53.3636837201586 1 0 1 1758 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4235 M444T3362 M444.5T56 444.5 444.5 444.5 56.028462824313 55.9254437958134 56.1314818528126 2 1 1 4660 1.33522324592488 0.200951606220675 0.860607388295691
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4236 M445T3178 M444.9T53 444.899993896484 444.899993896484 444.899993896484 52.9618930181655 52.9244068046548 52.9993792316762 2 1 1 781 1.01862262825018 0.0130461495972783 0.990775728700793
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4237 M445T3101 M444.9T51.7 444.899993896484 444.899993896484 444.899993896484 51.677492671844 51.677492671844 51.677492671844 1 1 0 3125 4.66172877255606 -0.768015650233835 0.574096533317663
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4238 M445T3680 M444.9T61.3 444.899993896484 444.899993896484 444.899993896484 61.338536524663 61.338536524663 61.338536524663 1 1 0 3693 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4239 M445T3723 M444.9T62.1 444.899993896484 444.899993896484 444.899993896484 62.0535326688517 62.0535326688517 62.0535326688517 1 0 1 3447 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4240 M445T4143 M444.9T69 444.899993896484 444.899993896484 444.899993896484 69.0492204926483 69.0492204926483 69.0492204926483 1 0 1 4236 Inf 1 0.5
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4241 M445T2927 M444.9T48.8 444.899993896484 444.899993896484 444.899993896484 48.7797731624799 48.7797731624799 48.7797731624799 1 1 0 [M-H]- 445.911 60 5.20873676887131 -0.793523242186628 0.565459634267603
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4242 M445T2684 M445T44.7 445 445 445 44.734431164126 44.734431164126 44.734431164126 1 0 1 6 1.32356452253862 1.1552251828052 0.409346184317751
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4243 M445T3776 M445T62.9 445 445 445 62.9285586528502 62.9285586528502 62.9285586528502 1 1 0 5854 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4244 M445T3607 M445T60.1 445 445 445 60.1167965218729 60.1167965218729 60.1167965218729 1 0 1 4672 4.08850935737414 1.23094654753347 0.389353057639121
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4245 M445T4117 M445.1T68.6 445.100006103516 445.100006103516 445.100006103516 68.6223988567907 68.6223988567907 68.6223988567907 1 1 0 [M-H-H2]- 448.111 120 1.57957888382138 -1.33331654010888 0.386385538283602
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4246 M445T3791 M445.1T63.2 445.100006103516 445.100006103516 445.100006103516 63.1807627943582 63.1807627943582 63.1807627943582 1 0 1 117 2.00779002310608 3.23926154793378 0.160764716330724
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4247 M445T3939 M445.1T65.6 445.100006103516 445.100006103516 445.100006103516 65.6421226989464 65.6421226989464 65.6421226989464 1 1 0 4174 3.78259783003978 -1.26715120327884 0.367784861496288
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4248 M445T4053 M445.2T67.6 445.200012207031 445.200012207031 445.200012207031 67.5518714602162 67.5462092090621 67.6443327112656 3 1 2 77 1.01998959065311 0.0245519242830219 0.984345295735426
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4249 M445T2528 M445.2T42.1 445.200012207031 445.200012207031 445.200012207031 42.1313778044834 42.1313778044834 42.1313778044834 1 0 1 5598 1.70129870129872 0.562708694904503 0.634362383455492
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4250 M445T2898 M445.2T48.3 445.200012207031 445.200012207031 445.200012207031 48.2990354917678 48.2990354917678 48.2990354917678 1 1 0 4777 1.07893071167823 -0.131104314192188 0.911239592747245
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4251 M445T3206 M445.2T53.4 445.200012207031 445.200012207031 445.200012207031 53.4268624124874 53.4268624124874 53.4268624124874 1 1 0 4326 2.8541037432218 -0.613084889398671 0.632885399167297
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4252 M445T3827 M445.2T63.8 445.200012207031 445.200012207031 445.200012207031 63.7809794087204 63.7809794087204 63.7809794087204 1 0 1 33 4.09265625035669 1.3490091045731 0.367940647826793
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4253 M445T4220 M445.2T70.3 445.200012207031 445.200012207031 445.200012207031 70.3297904661244 70.3297904661244 70.3297904661244 1 0 1 [M+Cl]- 410.233 164 7.33095520623841 0.855668065135469 0.545235361951066
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4254 M445T3764 M445.3T62.7 445.300018310547 445.300018310547 445.300018310547 62.7261187804133 62.7261187804133 62.7261187804133 1 1 0 996 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4255 M445T4173 M445.3T69.5 445.300018310547 445.300018310547 445.300018310547 69.548925578163 69.548925578163 69.548925578163 1 0 1 4399 7.42299480329787 0.85753695106237 0.544641191681264
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4256 M445T3341 M445.3T55.7 445.300018310547 445.300018310547 445.300018310547 55.6912268812925 55.6912268812925 55.6912268812925 1 1 0 5511 4.39654325988411 -0.75330840340559 0.57918616990399
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4257 M445T2567 M445.3T42.8 445.300018310547 445.300018310547 445.300018310547 42.7858714460137 42.7858714460137 42.7858714460137 1 1 0 5861 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4258 M446T3530 M445.7T58.8 445.700012207031 445.700012207031 445.700012207031 58.8310613642101 58.8310613642101 58.8310613642101 1 0 1 1966 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4259 M446T3000 M445.7T50 445.700012207031 445.700012207031 445.700012207031 50.0079321328844 50.0079321328844 50.0079321328844 1 1 0 1840 6.49576942386311 -0.836202885327895 0.551465850539411
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4260 M446T2718 M445.8T45.3 445.800018310547 445.800018310547 445.800018310547 45.2957747944985 45.2957747944985 45.2957747944985 1 1 0 2503 2.98812869829981 -0.630948103224962 0.62544893905417
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4261 M446T2792 M445.8T46.5 445.800018310547 445.800018310547 445.800018310547 46.526391340565 46.526391340565 46.526391340565 1 0 1 12 2.85415962393984 0.705873991523832 0.583271530347591
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4262 M446T2623 M445.8T43.7 445.800018310547 445.800018310547 445.800018310547 43.7209117884646 43.7209117884646 43.7209117884646 1 1 0 2655 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4263 M446T3345 M445.9T55.7 445.899993896484 445.899993896484 445.899993896484 55.7434284078368 55.7434284078368 55.7434284078368 1 1 0 811 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4264 M446T3295 M445.9T54.9 445.899993896484 445.899993896484 445.899993896484 54.9215301739155 54.9215301739155 54.9215301739155 1 0 1 2605 Inf 1.43965936590822 0.38649091365382
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4265 M446T3046 M445.9T50.8 445.899993896484 445.899993896484 445.899993896484 50.7592682682344 50.7592682682344 50.7592682682344 1 1 0 4950 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4266 M446T2755 M445.9T45.9 445.899993896484 445.899993896484 445.899993896484 45.9215397643686 45.9215397643686 45.9215397643686 1 1 0 5823 6.5311653263857 -0.83713224359099 0.551166500008392
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4267 M446T4200 M445.9T70 445.899993896484 445.899993896484 445.899993896484 69.9962244755141 69.9962244755141 69.9962244755141 1 0 1 5700 4.3187578601181 0.748644850573687 0.580818125834266
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4268 M446T3423 M445.9T57.1 445.899993896484 445.899993896484 445.899993896484 57.057103190847 57.057103190847 57.057103190847 1 0 1 875 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4269 M446T2940 M446T49 446 446 446 49.0073527178086 49.0073527178086 49.0073527178086 1 0 1 2811 11.3347986365361 0.908248309178366 0.528710571178125
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4270 M446T3936 M446T65.6 446 446 446 65.5923732990028 65.5923732990028 65.5923732990028 1 1 0 107 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4271 M446T3518 M446T58.6 446 446 446 58.6355926720801 58.6355926720801 58.6355926720801 1 1 0 410 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4272 M446T3911 M446T65.2 446 446 446 65.1774834379741 65.1774834379741 65.1774834379741 1 1 0 4786 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4273 M446T3857 M446.1T64.3 446.100006103516 446.100006103516 446.100006103516 64.279697433027 64.279697433027 64.279697433027 1 0 1 1393 Inf 1.52046452242516 0.370362991048521
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4274 M446T2893 M446.2T48.2 446.200012207031 446.200012207031 446.200012207031 48.2097870775546 48.2097870775546 48.2097870775546 1 1 0 [M-H]- 447.211 95 1.3324096950629 0.352000106060842 0.772309196514819
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4275 M446T2625 M446.2T43.7 446.200012207031 446.200012207031 446.200012207031 43.7474795776171 43.7474795776171 43.7474795776171 1 1 0 2656 1.18621200671507 -0.148658435623976 0.896360507247055
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4276 M446T3490 M446.2T58.2 446.200012207031 446.200012207031 446.200012207031 58.1721785194111 58.1721785194111 58.1721785194111 1 0 1 1797 1.30675965362342 0.400549567084319 0.739481319982543
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4277 M446T4103 M446.3T68.4 446.300018310547 446.300018310547 446.300018310547 68.3785113601956 68.3372156672256 68.4198070531655 2 1 1 5812 1.55356398499366 0.299615301694333 0.796932551308041
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4278 M446T3277 M446.3T54.6 446.300018310547 446.300018310547 446.300018310547 54.6093088228788 54.6093088228788 54.6093088228788 1 0 1 1244 2.14963680755738 -1.1482653964379 0.455429519007893
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4279 M446T3298 M446.3T55 446.300018310547 446.300018310547 446.300018310547 54.9730639796668 54.9730639796668 54.9730639796668 1 0 1 2594 Inf 16.4841665632645 0.0385728048097222
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4280 M446T2887 M446.3T48.1 446.300018310547 446.300018310547 446.300018310547 48.1162959745194 48.1162959745194 48.1162959745194 1 0 1 5661 1.39232982031919 0.228866584297459 0.842140878064177
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4281 M446T3642 M446.4T60.7 446.399993896484 446.399993896484 446.399993896484 60.6978535677723 60.6978535677723 60.6978535677723 1 0 1 1540 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4282 M446T4174 M446.4T69.6 446.399993896484 446.399993896484 446.399993896484 69.5665514270307 69.5665514270307 69.5665514270307 1 1 0 4400 Inf -1.23838581156921 0.432455239116688
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4283 M447T2682 M446.8T44.7 446.800018310547 446.800018310547 446.800018310547 44.70757669099 44.70757669099 44.70757669099 1 0 1 656 Inf 1 0.5
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lecorguille
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4284 M447T2949 M446.9T49.1 446.899993896484 446.899993896484 446.899993896484 49.1429891716128 49.1429891716128 49.1429891716128 1 1 0 [M-H-CH4]- 463.933 [M-H-C2N2]- 499.909 70 1.15677283485378 0.115547898186094 0.918636469125483
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4285 M447T4144 M446.9T69.1 446.899993896484 446.899993896484 446.899993896484 69.0660535572266 69.0660535572266 69.0660535572266 1 0 1 5839 2.89443545534011 0.800254998514227 0.535765905250237
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4286 M447T3169 M446.9T52.8 446.899993896484 446.899993896484 446.899993896484 52.8173454554494 52.8173454554494 52.8173454554494 1 0 1 782 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4287 M447T3448 M447T57.5 447 447 447 57.4737949279535 57.4737949279535 57.4737949279535 1 0 1 2930 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4288 M447T3461 M447T57.7 447 447 447 57.6778499237897 57.6778499237897 57.6778499237897 1 1 0 1279 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4289 M447T4124 M447T68.7 447 447 447 68.7290731433405 68.7290731433405 68.7290731433405 1 1 0 1731 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4290 M447T3524 M447T58.7 447 447 447 58.7254962366818 58.7254962366818 58.7254962366818 1 1 0 411 1.70821093438078 -0.391042817233767 0.752150198116655
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4291 M447T3581 M447T59.7 447 447 447 59.6773270792439 59.6773270792439 59.6773270792439 1 1 0 1628 2.58562916572992 -0.571960686188401 0.650753230614918
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4292 M447T4119 M447.1T68.7 447.100006103516 447.100006103516 447.100006103516 68.6550448101035 68.6550448101035 68.6550448101035 1 0 1 [M-H]- 448.111 120 1.12906438272609 -0.137323097004194 0.904707610850102
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4293 M447T3416 M447.1T56.9 447.100006103516 447.100006103516 447.100006103516 56.9312859769304 56.9312859769304 56.9312859769304 1 1 0 854 2.39568784386013 -0.657351573566331 0.607449770718516
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4294 M447T3868 M447.2T64.5 447.200012207031 447.200012207031 447.200012207031 64.4642399408546 64.2143394697321 64.5679272183167 4 2 2 [80][M]- 21 1.00942632062878 0.0123452280578478 0.991277364541715
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4295 M447T3093 M447.2T51.5 447.200012207031 447.200012207031 447.200012207031 51.5451573874517 51.5451573874517 51.5451573874517 1 0 1 5368 5.23483106430043 4.2173240888148 0.145092975383368
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4296 M447T2662 M447.2T44.4 447.200012207031 447.200012207031 447.200012207031 44.3583859212274 44.3583859212274 44.3583859212274 1 1 0 42 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4297 M447T3019 M447.2T50.3 447.200012207031 447.200012207031 447.200012207031 50.3157261977645 50.3157261977645 50.3157261977645 1 1 0 2148 Inf -2.15807505782001 0.276243002161726
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4298 M447T4097 M447.3T68.3 447.300018310547 447.300018310547 447.300018310547 68.2872973934685 68.2872973934685 68.2872973934685 1 0 1 5103 16.2912704403849 0.936854143663033 0.519809311239803
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4299 M447T3291 M447.3T54.9 447.300018310547 447.300018310547 447.300018310547 54.8504091206621 54.8504091206621 54.8504091206621 1 1 0 2114 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4300 M447T2654 M447.3T44.2 447.300018310547 447.300018310547 447.300018310547 44.2387925228872 44.2387925228872 44.2387925228872 1 0 1 5845 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4301 M447T4066 M447.3T67.8 447.300018310547 447.300018310547 447.300018310547 67.7736661645487 67.7736661645487 67.7736661645487 1 0 1 3896 5.6011159379038 0.808676939062575 0.56043144953482
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4302 M447T2627 M447.3T43.8 447.300018310547 447.300018310547 447.300018310547 43.7802861110493 43.7802861110493 43.7802861110493 1 1 0 2657 4.93089450138037 -0.781292035708412 0.56957250281142
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4303 M447T3931 M447.3T65.5 447.300018310547 447.300018310547 447.300018310547 65.509083322061 65.509083322061 65.509083322061 1 0 1 2942 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4304 M447T3544 M447.4T59.1 447.399993896484 447.399993896484 447.399993896484 59.0600521059129 59.0600521059129 59.0600521059129 1 1 0 2349 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4305 M448T4149 M447.7T69.1 447.700012207031 447.700012207031 447.700012207031 69.143594352247 69.143594352247 69.143594352247 1 0 1 5618 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4306 M448T2853 M447.9T47.5 447.899993896484 447.899993896484 447.899993896484 47.546201958519 47.546201958519 47.546201958519 1 1 0 4262 4.79445889676352 -0.77475318230313 0.571792622847063
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4307 M448T2559 M447.9T42.7 447.899993896484 447.899993896484 447.899993896484 42.6554547793471 42.6554547793471 42.6554547793471 1 1 0 3077 Inf -1.4882536658023 0.376647522800739
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4308 M448T3362 M447.9T56 447.899993896484 447.899993896484 447.899993896484 56.0287956381333 56.0287956381333 56.0287956381333 1 1 0 4661 2.4162450662993 -0.541584508670638 0.664646652824703
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4309 M448T2734 M447.9T45.6 447.899993896484 447.899993896484 447.899993896484 45.5684165874147 45.5684165874147 45.5684165874147 1 1 0 2463 1.70655960194959 -0.357215415777985 0.762091899619062
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4310 M448T3705 M448T61.8 448 448 448 61.7501466781274 61.7501466781274 61.7501466781274 1 0 1 1165 Inf 1.45605398636621 0.383120017505125
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4311 M448T3462 M448T57.7 448 448 448 57.7036355903823 57.7036355903823 57.7036355903823 1 1 0 1257 2.60259201680457 -0.615312258704735 0.648593801477914
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4312 M448T3631 M448T60.5 448 448 448 60.520959033894 60.520959033894 60.520959033894 1 0 1 2364 2.08113295468861 0.468241719025259 0.70071645741159
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4313 M448T2546 M448T42.4 448 448 448 42.4324514146668 42.4324514146668 42.4324514146668 1 0 1 5152 1.2776600254345 0.278695725302886 0.826712575622203
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4314 M448T3547 M448.1T59.1 448.100006103516 448.100006103516 448.100006103516 59.1164907588542 59.0333172991383 59.1207535918257 3 2 1 2325 2.77974993519944 -1.05114729762346 0.415205344084876
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4315 M448T3015 M448.1T50.2 448.100006103516 448.100006103516 448.100006103516 50.2485654109699 50.2485654109699 50.2485654109699 1 0 1 [M-2H+Na]- 427.112 37 1.00041053707867 -0.00244009151890384 0.998302417907823
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4316 M448T3403 M448.1T56.7 448.100006103516 448.100006103516 448.100006103516 56.723107687474 56.723107687474 56.723107687474 1 1 0 1305 1.06011322803684 0.0538342072191299 0.963326888667132
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4317 M448T3868 M448.2T64.5 448.200012207031 448.200012207031 448.200012207031 64.4642399408546 64.1880616961356 64.5679272183167 4 2 2 [80][M+1]- 21 1.03310965358529 -0.0435139479271487 0.969245787240617
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4318 M448T3502 M448.2T58.4 448.200012207031 448.200012207031 448.200012207031 58.3686104898001 58.3686104898001 58.3686104898001 1 0 1 [81][M]- [M+Cl]- 413.233 76 20.5973437418975 1.00781543411408 0.497518647572337
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4319 M448T2787 M448.2T46.4 448.200012207031 448.200012207031 448.200012207031 46.4451542533488 46.4451542533488 46.4451542533488 1 1 0 916 5.12004329873822 -1.47113681784412 0.339018005322009
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4320 M448T3924 M448.3T65.4 448.300018310547 448.300018310547 448.300018310547 65.4040089091546 65.4040089091546 65.4040089091546 1 1 0 3003 3.12476107218329 -0.647620516228118 0.618678455225207
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4321 M448T3249 M448.3T54.1 448.300018310547 448.300018310547 448.300018310547 54.1467271041685 54.1467271041685 54.1467271041685 1 0 1 1921 5.75262684150172 0.813959729493243 0.558694849981148
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4322 M448T3942 M448.3T65.7 448.300018310547 448.300018310547 448.300018310547 65.6963095194456 65.6963095194456 65.6963095194456 1 1 0 4128 1.44828792564509 -0.273667850916935 0.816926470591564
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4323 M448T4039 M448.3T67.3 448.300018310547 448.300018310547 448.300018310547 67.3089195461161 67.3089195461161 67.3089195461161 1 1 0 92 2.76006263603739 -0.599551157039584 0.63864870677059
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4324 M448T3791 M448.3T63.2 448.300018310547 448.300018310547 448.300018310547 63.187320477587 63.187320477587 63.187320477587 1 0 1 4456 Inf 4.16222658367249 0.150106694639379
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4325 M448T2805 M448.4T46.7 448.399993896484 448.399993896484 448.399993896484 46.7427561774611 46.7427561774611 46.7427561774611 1 0 1 5186 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4326 M448T2739 M448.4T45.6 448.399993896484 448.399993896484 448.399993896484 45.6459308446171 45.6459308446171 45.6459308446171 1 1 0 116 9.54147384831412 -0.890318020037342 0.534309391985659
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4327 M448T2982 M448.4T49.7 448.399993896484 448.399993896484 448.399993896484 49.7052882151257 49.7052882151257 49.7052882151257 1 0 1 4630 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4328 M449T2875 M448.9T47.9 448.899993896484 448.899993896484 448.899993896484 47.9206236823439 47.9206236823439 47.9206236823439 1 1 0 4736 2.20478227232469 -0.497645755772465 0.6858228516376
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4329 M449T2574 M448.9T42.9 448.899993896484 448.899993896484 448.899993896484 42.9019347480001 42.9019347480001 42.9019347480001 1 0 1 4086 1.48936228985862 0.272787196430785 0.813784883578413
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4330 M449T3408 M448.9T56.8 448.899993896484 448.899993896484 448.899993896484 56.8008974440787 56.8008974440787 56.8008974440787 1 1 0 2548 1.78611253966389 -1.03468403273598 0.410022252354685
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4331 M449T4141 M449T69 449 449 449 69.0160091561808 68.9374216510452 69.0945966613164 2 2 0 4237 3.15808738485512 -1.98774830848804 0.243206216458233
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4332 M449T2991 M449T49.8 449 449 449 49.8483459717483 49.8483459717483 49.8483459717483 1 0 1 1825 13.2962177781868 0.922186171209637 0.524371673331996
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4333 M449T3974 M449T66.2 449 449 449 66.2380440769863 66.2380440769863 66.2380440769863 1 0 1 2044 8.48436012804614 0.876071907443662 0.538780652036257
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4334 M449T3550 M449T59.2 449 449 449 59.1595740226939 59.1595740226939 59.1595740226939 1 0 1 2350 4.90285399405466 0.795526900181319 0.571910938898906
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4335 M449T2891 M449.1T48.2 449.100006103516 449.100006103516 449.100006103516 48.1806904084508 48.1515937393471 48.2097870775546 2 1 1 95 1.36772681317202 0.365702963834946 0.776802201647912
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4336 M449T3985 M449.1T66.4 449.100006103516 449.100006103516 449.100006103516 66.4099814534657 66.4099814534657 66.4099814534657 1 1 0 4482 1.21816635252578 0.215040039620753 0.863638455786297
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4337 M449T3607 M449.1T60.1 449.100006103516 449.100006103516 449.100006103516 60.1240198193452 60.1240198193452 60.1240198193452 1 1 0 4675 1.79177588415253 -0.515317900391066 0.683040547056535
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4338 M449T3501 M449.2T58.3 449.200012207031 449.200012207031 449.200012207031 58.3430787804628 58.3430787804628 58.3430787804628 1 0 1 [81][M+1]- 76 19.8476342912247 0.955411360585042 0.514511838601896
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4339 M449T2654 M449.2T44.2 449.200012207031 449.200012207031 449.200012207031 44.225870956202 44.225870956202 44.225870956202 1 1 0 5840 1.99118026709488 -0.723643664762076 0.588451167471404
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4340 M449T3286 M449.2T54.8 449.200012207031 449.200012207031 449.200012207031 54.7710736069409 54.7710736069409 54.7710736069409 1 1 0 93 8.06676625321799 -28.2829482417624 0.00175731629113418
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4341 M449T3549 M449.3T59.1 449.300018310547 449.300018310547 449.300018310547 59.1472024168757 59.1472024168757 59.1472024168757 1 1 0 44 18.4540574334561 -9.37555661726674 0.0184733647032358
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4342 M449T3279 M449.3T54.6 449.300018310547 449.300018310547 449.300018310547 54.6443499441026 54.6443499441026 54.6443499441026 1 0 1 [M-H-H8O4]- 522.337 18 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4343 M449T3619 M449.3T60.3 449.300018310547 449.300018310547 449.300018310547 60.3104497552185 60.3104497552185 60.3104497552185 1 1 0 2562 Inf -1 0.5
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lecorguille
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4344 M449T3394 M449.3T56.6 449.300018310547 449.300018310547 449.300018310547 56.5674600779613 56.5674600779613 56.5674600779613 1 0 1 492 1.28805930199625 -0.176650484588277 0.876930454029893
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4345 M449T3593 M449.3T59.9 449.300018310547 449.300018310547 449.300018310547 59.8894093106803 59.8894093106803 59.8894093106803 1 1 0 5886 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4346 M449T3689 M449.4T61.5 449.399993896484 449.399993896484 449.399993896484 61.4855445596624 61.4855445596624 61.4855445596624 1 1 0 601 7.55377632984201 -0.860111653731607 0.543823671396291
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4347 M449T4078 M449.4T68 449.399993896484 449.399993896484 449.399993896484 67.9667792128715 67.9667792128715 67.9667792128715 1 1 0 96 8.49467866772681 -0.876228667955559 0.538731311483109
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4348 M450T3542 M449.5T59 449.5 449.5 449.5 59.0333172991383 59.0333172991383 59.0333172991383 1 1 0 2351 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4349 M450T2788 M449.7T46.5 449.700012207031 449.700012207031 449.700012207031 46.4743610582872 46.4743610582872 46.4743610582872 1 0 1 896 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4350 M450T2931 M449.9T48.9 449.899993896484 449.899993896484 449.899993896484 48.8518426113699 48.8518426113699 48.8518426113699 1 0 1 3629 1.09287461634635 0.0703964230475387 0.950330562738875
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4351 M450T3090 M450T51.5 450 450 450 51.5039745142124 51.5039745142124 51.5039745142124 1 0 1 5369 1.75941850025273 0.42259380419499 0.740965474709779
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lecorguille
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4352 M450T3409 M450T56.8 450 450 450 56.8125390572589 56.8125390572589 56.8125390572589 1 0 1 2549 1.29531985500113 0.221678843699928 0.858161413845273
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4353 M450T3560 M450T59.3 450 450 450 59.3255406207997 59.3255406207997 59.3255406207997 1 0 1 1675 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4354 M450T3805 M450T63.4 450 450 450 63.4249379121707 63.4249379121707 63.4249379121707 1 0 1 4183 2.61445342745754 0.576760961812473 0.648612465957171
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4355 M450T3883 M450T64.7 450 450 450 64.7174644244759 64.7174644244759 64.7174644244759 1 1 0 2247 1.60488938901653 -0.319887488174 0.784454392035715
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4356 M450T3593 M450T59.9 450 450 450 59.8894093106803 59.8894093106803 59.8894093106803 1 1 0 5887 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4357 M450T2569 M450T42.8 450 450 450 42.8236847480001 42.8236847480001 42.8236847480001 1 0 1 5296 7.15426497277682 0.851941076601401 0.546422253286706
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4358 M450T3842 M450.1T64 450.100006103516 450.100006103516 450.100006103516 64.0253664921729 64.0253664921729 64.0253664921729 1 1 0 [M+Cl]- 415.134 21 1.66534958213216 -0.394171339246012 0.748780148985879
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4359 M450T3629 M450.2T60.5 450.200012207031 450.200012207031 450.200012207031 60.4857812117369 60.4663663640059 60.520959033894 3 1 2 [M-H-CO]- 479.208 26 1.43267926686213 0.733513744889568 0.579143831158009
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4360 M450T2886 M450.2T48.1 450.200012207031 450.200012207031 450.200012207031 48.1019788742019 48.0469603938258 48.1569973545779 2 1 1 194 2.4958489254919 -0.643556834808712 0.607412362955963
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4361 M450T2905 M450.2T48.4 450.200012207031 450.200012207031 450.200012207031 48.4122953400694 48.4122953400694 48.4122953400694 1 0 1 3918 4.78981584277798 0.774523943600233 0.571870735639413
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4362 M450T2834 M450.3T47.2 450.300018310547 450.300018310547 450.300018310547 47.2334779756979 47.2334779756979 47.2334779756979 1 0 1 4581 Inf 2.28611468302172 0.262507696189099
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4363 M450T2969 M450.3T49.5 450.300018310547 450.300018310547 450.300018310547 49.4912576707445 49.4912576707445 49.4912576707445 1 1 0 3240 8.90482810132736 -2.54477899013626 0.199355729762403
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4364 M450T3944 M450.4T65.7 450.399993896484 450.399993896484 450.399993896484 65.7302363403539 65.6861042988527 65.7743683818552 2 1 1 4154 1.93113482056256 0.428168759036847 0.721944735127107
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4365 M450T3248 M450.4T54.1 450.399993896484 450.399993896484 450.399993896484 54.1321594119424 54.1321594119424 54.1321594119424 1 1 0 1922 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4366 M450T4205 M450.4T70.1 450.399993896484 450.399993896484 450.399993896484 70.0751651438567 70.0751651438567 70.0751651438567 1 0 1 4932 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4367 M450T4138 M450.4T69 450.399993896484 450.399993896484 450.399993896484 68.9640534798681 68.9640534798681 68.9640534798681 1 1 0 3983 1.92066779279693 -0.425171813828914 0.723575071371454
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4368 M451T2535 M450.8T42.2 450.800018310547 450.800018310547 450.800018310547 42.2498680813335 42.2498680813335 42.2498680813335 1 0 1 5782 1.89603024574672 0.46710843872165 0.718991632867595
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4369 M451T3102 M450.9T51.7 450.899993896484 450.899993896484 450.899993896484 51.7021210992262 51.7021210992262 51.7021210992262 1 0 1 3141 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4370 M451T3568 M450.9T59.5 450.899993896484 450.899993896484 450.899993896484 59.4651185944102 59.4651185944102 59.4651185944102 1 1 0 1641 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4371 M451T3834 M450.9T63.9 450.899993896484 450.899993896484 450.899993896484 63.903380773541 63.903380773541 63.903380773541 1 1 0 3355 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4372 M451T2906 M451T48.4 451 451 451 48.4306212242677 48.4306212242677 48.4306212242677 1 1 0 3919 2.74065190857984 -1.23107007139493 0.40799883457767
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4373 M451T3423 M451T57 451 451 451 57.0498184354762 57.0498184354762 57.0498184354762 1 0 1 [M-H]- 452.01 855 1.38450334812952 -0.368057762915293 0.767857405993376
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4374 M451T3820 M451T63.7 451 451 451 63.6622481077053 63.6622481077053 63.6622481077053 1 0 1 1857 4.01542475734061 0.72870290809781 0.587900691915772
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4375 M451T3706 M451.1T61.8 451.100006103516 451.100006103516 451.100006103516 61.7655456241751 61.7655456241751 61.7655456241751 1 0 1 1183 2.19659824714783 0.544680785371884 0.682448411450992
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4376 M451T3619 M451.1T60.3 451.100006103516 451.100006103516 451.100006103516 60.3104497552185 60.3104497552185 60.3104497552185 1 1 0 2564 5.79778139119415 -3.05530224805874 0.118683688614269
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4377 M451T3636 M451.1T60.6 451.100006103516 451.100006103516 451.100006103516 60.5920265787753 60.5920265787753 60.5920265787753 1 0 1 2845 5.59378360829863 0.80841380285326 0.560518162214002
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4378 M451T3746 M451.1T62.4 451.100006103516 451.100006103516 451.100006103516 62.4396438301653 62.4396438301653 62.4396438301653 1 1 0 [M-H-H2]- 454.114 14 3.31257222814115 -5.03721029214632 0.123791417583831
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4379 M451T2533 M451.2T42.2 451.200012207031 451.200012207031 451.200012207031 42.2237847480001 42.2237847480001 42.2237847480001 1 0 1 [M+Cl]- 416.225 5889 1.02203791469195 0.0211139066090729 0.98635100691075
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4380 M451T2935 M451.2T48.9 451.200012207031 451.200012207031 451.200012207031 48.909336203624 48.909336203624 48.909336203624 1 1 0 57 14.2287842226868 -1.17227771561868 0.448011604150106
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4381 M451T2905 M451.3T48.4 451.300018310547 451.300018310547 451.300018310547 48.4120109385693 48.4120109385693 48.4120109385693 1 0 1 3920 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4382 M451T2544 M451.3T42.4 451.300018310547 451.300018310547 451.300018310547 42.4063680813334 42.4063680813334 42.4063680813334 1 0 1 5163 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4383 M451T2842 M451.3T47.4 451.300018310547 451.300018310547 451.300018310547 47.3620715453329 47.3620715453329 47.3620715453329 1 1 0 252 1.18803998558691 0.221159681653904 0.84824749040907
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4384 M451T3793 M451.3T63.2 451.300018310547 451.300018310547 451.300018310547 63.2229612692366 63.2229612692366 63.2229612692366 1 1 0 5520 1.56807080210897 -0.361710336218289 0.778758369585051
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4385 M451T2671 M451.3T44.5 451.300018310547 451.300018310547 451.300018310547 44.5194788960168 44.5194788960168 44.5194788960168 1 0 1 4049 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4386 M451T4082 M451.4T68 451.399993896484 451.399993896484 451.399993896484 68.0279934455674 67.9721189019136 68.0838679892212 2 0 2 5725 Inf 3.35589467716426 0.184368542596315
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4387 M451T3937 M451.4T65.6 451.399993896484 451.399993896484 451.399993896484 65.6183440373909 65.6183440373909 65.6183440373909 1 1 0 [M+Cl]- 416.425 107 6.25184520976448 -1.29817402652324 0.398807529676562
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4388 M451T3730 M451.4T62.2 451.399993896484 451.399993896484 451.399993896484 62.1585665606878 62.1585665606878 62.1585665606878 1 0 1 3570 2.21222545011768 0.499321756083994 0.684991418715682
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4389 M451T3186 M451.4T53.1 451.399993896484 451.399993896484 451.399993896484 53.099351150571 53.099351150571 53.099351150571 1 1 0 2176 8.15234442393674 -0.870809052601088 0.540439180353443
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4390 M452T2794 M451.7T46.6 451.700012207031 451.700012207031 451.700012207031 46.567100948405 46.567100948405 46.567100948405 1 0 1 917 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4391 M452T3964 M451.8T66.1 451.800018310547 451.800018310547 451.800018310547 66.0657522524812 66.0657522524812 66.0657522524812 1 1 0 2045 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4392 M452T2851 M451.8T47.5 451.800018310547 451.800018310547 451.800018310547 47.5200375820765 47.5200375820765 47.5200375820765 1 1 0 6070 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4393 M452T2685 M451.9T44.8 451.899993896484 451.899993896484 451.899993896484 44.7532558704497 44.7532558704497 44.7532558704497 1 1 0 657 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4394 M452T2529 M451.9T42.2 451.899993896484 451.899993896484 451.899993896484 42.1574611378167 42.1574611378167 42.1574611378167 1 0 1 5599 1.55085599194358 -0.298517419847464 0.797614755107858
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4395 M452T3466 M452T57.8 452 452 452 57.7600924594815 57.7600924594815 57.7600924594815 1 0 1 4030 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4396 M452T3437 M452T57.3 452 452 452 57.2838294785555 57.2838294785555 57.2838294785555 1 1 0 4891 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4397 M452T2953 M452T49.2 452 452 452 49.2161434872003 49.2161434872003 49.2161434872003 1 0 1 3191 1.32228992367025 -0.23487119889236 0.836239843822439
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4398 M452T3383 M452T56.4 452 452 452 56.3888125818254 56.3888125818254 56.3888125818254 1 0 1 1577 Inf 2.36644650043713 0.254529786554928
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4399 M452T3275 M452T54.6 452 452 452 54.5833089406657 54.5833089406657 54.5833089406657 1 0 1 [M+Cl]- 417.033 [M-H]- 453.009 145 4.90669545190722 2.00094140777302 0.211346365491577
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4400 M452T2973 M452T49.6 452 452 452 49.5579072745234 49.5579072745234 49.5579072745234 1 0 1 5916 4.4308514792302 1.32450632897975 0.36713563814097
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4401 M452T3070 M452.1T51.2 452.100006103516 452.100006103516 452.100006103516 51.1694205534781 51.1129822713051 51.2062793494461 4 2 2 [M-H]- 453.112 48 1.2261289268465 2.56268192310785 0.227334793408675
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4402 M452T3980 M452.1T66.3 452.100006103516 452.100006103516 452.100006103516 66.3305484080703 66.3305484080703 66.3305484080703 1 1 0 1994 1.02142246331393 -0.0276764418940853 0.98043354701593
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4403 M452T2546 M452.1T42.4 452.100006103516 452.100006103516 452.100006103516 42.4324514146668 42.4324514146668 42.4324514146668 1 0 1 [M+Cl]- 417.133 153 1.19507404211955 0.271610325301118 0.812904083676954
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4404 M452T3230 M452.2T53.8 452.200012207031 452.200012207031 452.200012207031 53.8325703403646 53.8325703403646 53.8325703403646 1 1 0 2697 1.31186669848051 0.285466041115626 0.812345767586097
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4405 M452T2542 M452.2T42.4 452.200012207031 452.200012207031 452.200012207031 42.3661111378167 42.3661111378167 42.3661111378167 1 0 1 5547 1.18625246399 -0.285232184309048 0.820665443473125
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4406 M452T3185 M452.3T53.1 452.300018310547 452.300018310547 452.300018310547 53.0774135353179 53.0774135353179 53.0774135353179 1 0 1 2166 2.82454798077525 0.608924942403322 0.634644904741613
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4407 M452T2573 M452.3T42.9 452.300018310547 452.300018310547 452.300018310547 42.8853329099392 42.8853329099392 42.8853329099392 1 1 0 257 3.3531306043215 -0.672501888322227 0.608868022949022
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4408 M452T2791 M452.3T46.5 452.300018310547 452.300018310547 452.300018310547 46.5170629593961 46.5170629593961 46.5170629593961 1 0 1 918 2.22811922754624 0.502866786991881 0.683239004771988
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4409 M452T2554 M452.3T42.6 452.300018310547 452.300018310547 452.300018310547 42.5747778044834 42.5747778044834 42.5747778044834 1 0 1 65 Inf 2.7284096009433 0.223650962996295
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4410 M452T3158 M452.3T52.6 452.300018310547 452.300018310547 452.300018310547 52.6374243127141 52.6374243127141 52.6374243127141 1 1 0 820 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4411 M452T2918 M452.3T48.6 452.300018310547 452.300018310547 452.300018310547 48.6398626568051 48.6398626568051 48.6398626568051 1 1 0 2772 Inf -4.57604112496497 0.136967002119627
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4412 M452T2804 M452.4T46.7 452.399993896484 452.399993896484 452.399993896484 46.7297365966852 46.7297365966852 46.7297365966852 1 1 0 5187 Inf -1 0.5
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4413 M452T3913 M452.5T65.2 452.5 452.5 452.5 65.2189319223871 65.2189319223871 65.2189319223871 1 1 0 5143 Inf -1 0.5
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4414 M453T3534 M452.9T58.9 452.899993896484 452.899993896484 452.899993896484 58.8999845911366 58.8999845911366 58.8999845911366 1 1 0 1967 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4415 M453T4247 M453T70.8 453 453 453 70.7825525149842 70.7825525149842 70.7825525149842 1 0 1 6230 Inf 1 0.5
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4416 M453T2536 M453.1T42.3 453.100006103516 453.100006103516 453.100006103516 42.2617944711501 42.2617944711501 42.2617944711501 1 0 1 5783 Inf 1 0.5
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4417 M453T3745 M453.1T62.4 453.100006103516 453.100006103516 453.100006103516 62.4248546431982 62.4248546431982 62.4248546431982 1 1 0 [M-H]- 454.114 14 5.48173812824865 -0.804302651842282 0.561875612967774
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4418 M453T4179 M453.1T69.6 453.100006103516 453.100006103516 453.100006103516 69.6450903000255 69.6450903000255 69.6450903000255 1 1 0 4401 3.16475658565188 -0.652233843713673 0.616833334652071
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4419 M453T4059 M453.1T67.7 453.100006103516 453.100006103516 453.100006103516 67.6515031255186 67.6515031255186 67.6515031255186 1 1 0 4702 87.6923462479967 -1.17504466990788 0.448820768026394
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4420 M453T3066 M453.2T51.1 453.200012207031 453.200012207031 453.200012207031 51.0948205743324 51.0873405949692 51.1023005536956 2 1 1 48 1.35110760964492 -0.282924389676896 0.80699303989656
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4421 M453T2865 M453.2T47.8 453.200012207031 453.200012207031 453.200012207031 47.7533641752508 47.7533641752508 47.7533641752508 1 1 0 [M-H-CO]- 482.206 87 1.03546457363778 0.029646927886255 0.979043040135855
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4422 M453T2508 M453.2T41.8 453.200012207031 453.200012207031 453.200012207031 41.7947381126804 41.7947381126804 41.7947381126804 1 1 0 102 20.157387984607 -1.10479982344476 0.467376059682673
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4423 M453T2723 M453.2T45.4 453.200012207031 453.200012207031 453.200012207031 45.3879422491882 45.3879422491882 45.3879422491882 1 1 0 2454 1.03035552147664 0.0237993819716886 0.983175028878303
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4424 M453T2907 M453.2T48.5 453.200012207031 453.200012207031 453.200012207031 48.4569026009951 48.4569026009951 48.4569026009951 1 1 0 97 1.0271563048751 -0.0209964592132076 0.985181763527794
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4425 M453T3283 M453.2T54.7 453.200012207031 453.200012207031 453.200012207031 54.7231998769429 54.7231998769429 54.7231998769429 1 0 1 1221 1.01580497510936 -0.0117234159860173 0.991713184307279
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4426 M453T2577 M453.2T42.9 453.200012207031 453.200012207031 453.200012207031 42.9423714460137 42.9423714460137 42.9423714460137 1 1 0 104 1.02066681610469 0.0160106110673971 0.98868281019744
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4427 M453T2965 M453.2T49.4 453.200012207031 453.200012207031 453.200012207031 49.41366612654 49.41366612654 49.41366612654 1 1 0 3243 1.21810520549483 -0.16069050599543 0.887817453961721
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4428 M453T2628 M453.2T43.8 453.200012207031 453.200012207031 453.200012207031 43.8070323012985 43.8070323012985 43.8070323012985 1 1 0 2630 1.00616944075474 -0.00495431286084126 0.996499837645001
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4429 M453T2609 M453.2T43.5 453.200012207031 453.200012207031 453.200012207031 43.4901047793471 43.4901047793471 43.4901047793471 1 1 0 4026 1.03766909390477 -0.0295660564592719 0.979098225774591
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4430 M453T2818 M453.2T47 453.200012207031 453.200012207031 453.200012207031 46.962756302017 46.962756302017 46.962756302017 1 1 0 3319 1.0596761984957 0.0450305237191259 0.968175834423813
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4431 M453T2739 M453.2T45.6 453.200012207031 453.200012207031 453.200012207031 45.6459308446171 45.6459308446171 45.6459308446171 1 1 0 116 1.06788713214186 -0.0541286759361648 0.961754219764018
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4432 M453T3022 M453.2T50.4 453.200012207031 453.200012207031 453.200012207031 50.368654652227 50.368654652227 50.368654652227 1 1 0 2119 1.25690727910846 -0.185024479393037 0.872207969409624
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4433 M453T2839 M453.2T47.3 453.200012207031 453.200012207031 453.200012207031 47.3091038574282 47.3091038574282 47.3091038574282 1 1 0 125 1.02479612794709 0.0191144403758764 0.986494582282053
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4434 M453T3331 M453.2T55.5 453.200012207031 453.200012207031 453.200012207031 55.5114757729546 55.5114757729546 55.5114757729546 1 0 1 [M-H-HCNO]- 497.207 15 1.03232182475564 0.0236427988708232 0.983285605047641
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4435 M453T3371 M453.2T56.2 453.200012207031 453.200012207031 453.200012207031 56.1763311369451 56.1763311369451 56.1763311369451 1 0 1 [M-H-C3H2]- 492.21 [M-H-C2N]- 492.21 [M-H-F2]- 492.21 25 1.02856928399497 0.0218954773684701 0.984558194183214
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4436 M453T2765 M453.2T46.1 453.200012207031 453.200012207031 453.200012207031 46.0880595099537 46.0880595099537 46.0880595099537 1 1 0 94 1.08594743821428 0.0639880507623017 0.954806556879016
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4437 M453T2558 M453.2T42.6 453.200012207031 453.200012207031 453.200012207031 42.6293714460137 42.6293714460137 42.6293714460137 1 1 0 3059 1.0071457553817 -0.00569275331362791 0.995976446750445
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4438 M453T4414 M453.3T73.6 453.300018310547 453.300018310547 453.300018310547 73.5604037127173 73.5604037127173 73.5604037127173 1 1 0 273 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4439 M453T4476 M453.4T74.6 453.399993896484 453.399993896484 453.399993896484 74.6037203793839 74.6037203793839 74.6037203793839 1 1 0 6205 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4440 M454T3968 M453.9T66.1 453.899993896484 453.899993896484 453.899993896484 66.1364063612123 66.1364063612123 66.1364063612123 1 0 1 1983 1.29709851005133 0.181398411069794 0.873724461682938
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4441 M454T4167 M453.9T69.4 453.899993896484 453.899993896484 453.899993896484 69.4436940588716 69.4436940588716 69.4436940588716 1 0 1 5927 5.01758873198792 0.785257701912005 0.568233417900464
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4442 M454T4163 M454T69.4 454 454 454 69.3832446405307 69.3832446405307 69.3832446405307 1 1 0 270 5.10753474183508 -1.0521961673486 0.466253590342699
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4443 M454T3281 M454.1T54.7 454.100006103516 454.100006103516 454.100006103516 54.6791865836157 54.6385261317052 54.7755737431411 4 2 2 [82][M]- 18 1.14417795409686 -0.337282485374677 0.782665251355041
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4444 M454T2771 M454.1T46.2 454.100006103516 454.100006103516 454.100006103516 46.1840071118045 46.1840071118045 46.1840071118045 1 1 0 5131 5.37303957164 0.87665836211946 0.532474026813916
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4445 M454T3289 M454.2T54.8 454.200012207031 454.200012207031 454.200012207031 54.8184125352391 54.8184125352391 54.8184125352391 1 0 1 2098 9.66423733204531 1.33190450474353 0.406649345281221
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4446 M454T3261 M454.2T54.3 454.200012207031 454.200012207031 454.200012207031 54.3457617907021 54.3457617907021 54.3457617907021 1 1 0 3606 7.04366739069987 -0.867594641059592 0.540286281045994
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4447 M454T4281 M454.2T71.4 454.200012207031 454.200012207031 454.200012207031 71.3563691816509 71.3563691816509 71.3563691816509 1 0 1 278 Inf 2.14398734177205 0.277836867840162
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4448 M454T3909 M454.3T65.1 454.300018310547 454.300018310547 454.300018310547 65.14329916541 65.14329916541 65.14329916541 1 0 1 4840 3.6345962924177 0.886510210333334 0.512860717413626
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4449 M454T3677 M454.3T61.3 454.300018310547 454.300018310547 454.300018310547 61.2782349943168 61.2782349943168 61.2782349943168 1 0 1 89 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4450 M454T3844 M454.3T64.1 454.300018310547 454.300018310547 454.300018310547 64.0697662886801 64.0697662886801 64.0697662886801 1 0 1 1394 4.17109479373643 0.739304827883386 0.584113891493584
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4451 M454T3971 M454.4T66.2 454.399993896484 454.399993896484 454.399993896484 66.1887331316529 66.1887331316529 66.1887331316529 1 0 1 1989 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4452 M454T4379 M454.5T73 454.5 454.5 454.5 72.9884457405337 72.9884457405337 72.9884457405337 1 0 1 334 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4453 M455T2551 M454.9T42.5 454.899993896484 454.899993896484 454.899993896484 42.5226111378167 42.5226111378167 42.5226111378167 1 0 1 3078 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4454 M455T4343 M455T72.4 455 455 455 72.3885457405337 72.3885457405337 72.3885457405337 1 0 1 6107 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4455 M455T3054 M455T50.9 455 455 455 50.9078537401197 50.9078537401197 50.9078537401197 1 1 0 3495 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4456 M455T2793 M455T46.6 455 455 455 46.5527161304661 46.5527161304661 46.5527161304661 1 0 1 899 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4457 M455T4059 M455T67.7 455 455 455 67.6515031255186 67.6515031255186 67.6515031255186 1 1 0 4706 37.4598072887282 -0.972958099512218 0.508540917645214
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4458 M455T3283 M455.1T54.7 455.100006103516 455.100006103516 455.100006103516 54.7231998769429 54.6650660579157 54.7491004949484 3 2 1 [82][M+1]- 1227 1.11063458650795 -0.68558492432127 0.583930059992779
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4459 M455T2736 M455.1T45.6 455.100006103516 455.100006103516 455.100006103516 45.6023451629537 45.6023451629537 45.6023451629537 1 0 1 4600 2.22486114972642 0.561463593746861 0.6637539579495
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4460 M455T3265 M455.2T54.4 455.200012207031 455.200012207031 455.200012207031 54.4157446894201 54.4057956275947 54.4256937512455 2 2 0 85 5.61018496962516 -1.97282371714598 0.266384074394303
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4461 M455T3093 M455.2T51.6 455.200012207031 455.200012207031 455.200012207031 51.5568143831783 51.5568143831783 51.5568143831783 1 0 1 5356 Inf 3.98901919195847 0.156370537641324
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4462 M455T4116 M455.2T68.6 455.200012207031 455.200012207031 455.200012207031 68.5984869938564 68.5984869938564 68.5984869938564 1 1 0 43 1.0283388669478 -0.0280309262340085 0.98201215962087
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4463 M455T2649 M455.3T44.1 455.300018310547 455.300018310547 455.300018310547 44.1468804866225 44.1468804866225 44.1468804866225 1 0 1 5679 1.45738918360284 0.258780497255117 0.822728695884659
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4464 M455T2821 M455.3T47 455.300018310547 455.300018310547 455.300018310547 47.0246753525252 47.0246753525252 47.0246753525252 1 0 1 3288 2.94476604678339 0.655063028343775 0.62797021023281
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4465 M455T3937 M455.4T65.6 455.399993896484 455.399993896484 455.399993896484 65.6156558985987 65.6156558985987 65.6156558985987 1 1 0 4155 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4466 M455T4172 M455.4T69.5 455.399993896484 455.399993896484 455.399993896484 69.5307764198623 69.5307764198623 69.5307764198623 1 0 1 4402 8.39035194094827 0.87462538915944 0.539236107461556
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4467 M456T2858 M455.9T47.6 455.899993896484 455.899993896484 455.899993896484 47.6338623008857 47.6338623008857 47.6338623008857 1 1 0 4263 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4468 M456T2933 M456T48.9 456 456 456 48.8836065097448 48.8836065097448 48.8836065097448 1 0 1 3617 5.8662551606088 0.817737335018497 0.557457915239183
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4469 M456T3110 M456T51.8 456 456 456 51.8332001944449 51.8332001944449 51.8332001944449 1 0 1 5349 1.12176627638756 -0.159545983802798 0.89921153185977
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4470 M456T2753 M456T45.9 456 456 456 45.8851598906562 45.8851598906562 45.8851598906562 1 0 1 114 2.13677957201014 0.510993286872498 0.689157475337569
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4471 M456T2959 M456T49.3 456 456 456 49.3175895580903 49.3175895580903 49.3175895580903 1 0 1 3263 1.16974363874059 0.142351200891571 0.908673872753652
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4472 M456T3601 M456T60 456 456 456 60.021741673909 60.021741673909 60.021741673909 1 1 0 1455 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4473 M456T3943 M456T65.7 456 456 456 65.7123885813693 65.7123885813693 65.7123885813693 1 0 1 4156 Inf 4.16979070427707 0.149844351547018
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4474 M456T2787 M456T46.4 456 456 456 46.4484203110933 46.4484203110933 46.4484203110933 1 0 1 904 Inf 1.60135458788622 0.35537328114067
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4475 M456T3276 M456.1T54.6 456.100006103516 456.100006103516 456.100006103516 54.597360525958 54.5393324865516 54.7226026997807 4 2 2 [82][M+2]- 1217 2.12887632986729 -5.69328066983944 0.0528628579126833
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4476 M456T4075 M456.1T67.9 456.100006103516 456.100006103516 456.100006103516 67.9190323704023 67.9190323704023 67.9190323704023 1 1 0 3897 1.24559258070087 0.168011118601648 0.882083830010453
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4477 M456T4138 M456.1T69 456.100006103516 456.100006103516 456.100006103516 68.9636800622515 68.9636800622515 68.9636800622515 1 1 0 99 27.7834496660585 -0.963383533565042 0.511539586352065
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4478 M456T3285 M456.2T54.8 456.200012207031 456.200012207031 456.200012207031 54.7574238644219 54.6706491402637 54.8441985885801 2 0 2 [83][M]- 1229 2.54947858940892 1.51779222078669 0.348992239178672
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4479 M456T3752 M456.3T62.5 456.300018310547 456.300018310547 456.300018310547 62.5355895688369 62.5176506534041 62.5535284842697 2 1 1 1033 1.19631874510493 -0.146388329616834 0.897186932872004
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4480 M456T3520 M456.3T58.7 456.300018310547 456.300018310547 456.300018310547 58.673055717006 58.673055717006 58.673055717006 1 1 0 412 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4481 M456T3536 M456.3T58.9 456.300018310547 456.300018310547 456.300018310547 58.9266008987241 58.9266008987241 58.9266008987241 1 1 0 35 1.20536176846831 0.131123320996376 0.908038477659923
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4482 M456T4063 M456.3T67.7 456.300018310547 456.300018310547 456.300018310547 67.7219395051013 67.7219395051013 67.7219395051013 1 0 1 5798 2.72628805822869 0.978237207749126 0.479614889836939
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4483 M456T3705 M456.4T61.7 456.399993896484 456.399993896484 456.399993896484 61.7464232883198 61.7464232883198 61.7464232883198 1 1 0 1184 1.01383067277766 0.00971236758629161 0.993132628289532
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4484 M456T3669 M456.4T61.1 456.399993896484 456.399993896484 456.399993896484 61.1467514117221 61.1467514117221 61.1467514117221 1 0 1 448 3.39900561567259 0.677100856014012 0.607091861603689
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4485 M456T4230 M456.5T70.5 456.5 456.5 456.5 70.4956525149842 70.4956525149842 70.4956525149842 1 0 1 5424 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4486 M457T2796 M456.7T46.6 456.700012207031 456.700012207031 456.700012207031 46.5922044478449 46.5922044478449 46.5922044478449 1 0 1 3942 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4487 M457T3622 M457T60.4 457 457 457 60.3625377209829 60.3625377209829 60.3625377209829 1 1 0 1618 5.71315364084851 -0.812611192693051 0.559137386797764
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4488 M457T3110 M457T51.8 457 457 457 51.8351814475023 51.8351814475023 51.8351814475023 1 1 0 165 8.16518905755045 -1.16802125243145 0.442912010988028
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4489 M457T3970 M457T66.2 457 457 457 66.1716808217559 66.1716808217559 66.1716808217559 1 1 0 1988 3.61397010742786 -1.18613019009925 0.43168260765875
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4490 M457T4168 M457.1T69.5 457.100006103516 457.100006103516 457.100006103516 69.4618250318358 69.4618250318358 69.4618250318358 1 1 0 5928 1.30518593744959 -0.185609628406004 0.870887537511672
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4491 M457T3285 M457.2T54.7 457.200012207031 457.200012207031 457.200012207031 54.7445972363515 54.7445972363515 54.7445972363515 1 1 0 [83][M+1]- 1228 1.78760935409946 -1.92708858055442 0.292045350046954
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4492 M457T3335 M457.3T55.6 457.300018310547 457.300018310547 457.300018310547 55.5910595484731 55.5910595484731 55.5910595484731 1 0 1 [M-H-C3H3]- 497.328 [M-H-HC2N]- 497.328 15 3.95033994277404 2.95882572193182 0.207033176685236
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4493 M457T3155 M457.3T52.6 457.300018310547 457.300018310547 457.300018310547 52.5851717499938 52.5851717499938 52.5851717499938 1 1 0 5902 3.57758857975532 -15.7195054405295 0.010885089362429
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4494 M457T4135 M457.3T68.9 457.300018310547 457.300018310547 457.300018310547 68.9118592356197 68.9118592356197 68.9118592356197 1 1 0 3984 1.32762439335876 -0.959299373239638 0.446874889520628
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4495 M457T3501 M457.4T58.3 457.399993896484 457.399993896484 457.399993896484 58.3488417608327 58.3488417608327 58.3488417608327 1 1 0 3378 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4496 M457T4118 M457.4T68.6 457.399993896484 457.399993896484 457.399993896484 68.6287722971562 68.6287722971562 68.6287722971562 1 0 1 4564 1.79216820188459 0.441888996562744 0.735042762983362
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4497 M457T3156 M457.4T52.6 457.399993896484 457.399993896484 457.399993896484 52.5991246043886 52.5991246043886 52.5991246043886 1 0 1 839 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4498 M457T3971 M457.4T66.2 457.399993896484 457.399993896484 457.399993896484 66.1854785667939 66.1854785667939 66.1854785667939 1 0 1 2046 5.65222451535783 0.810491559603085 0.559834021719607
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4499 M457T3223 M457.4T53.7 457.399993896484 457.399993896484 457.399993896484 53.7086596742954 53.7086596742954 53.7086596742954 1 1 0 4280 3.66205453660093 -0.701253855971636 0.597945355735839
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4500 M458T3942 M457.9T65.7 457.899993896484 457.899993896484 457.899993896484 65.6919835399717 65.6919835399717 65.6919835399717 1 0 1 4157 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4501 M458T2823 M457.9T47.1 457.899993896484 457.899993896484 457.899993896484 47.050398741134 47.050398741134 47.050398741134 1 0 1 3300 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4502 M458T3705 M458T61.8 458 458 458 61.7501466781274 61.7501466781274 61.7501466781274 1 0 1 17 1.1930493190823 0.124010571287145 0.912951770845813
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4503 M458T4085 M458T68.1 458 458 458 68.0838679892212 68.0838679892212 68.0838679892212 1 0 1 5726 Inf 13.2219382243506 0.0480572553495362
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lecorguille
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4504 M458T3348 M458T55.8 458 458 458 55.7974313023316 55.7974313023316 55.7974313023316 1 0 1 733 Inf 1.43960005173149 0.386503203373447
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4505 M458T3256 M458T54.3 458 458 458 54.2651757860585 54.2651757860585 54.2651757860585 1 0 1 1923 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4506 M458T4135 M458T68.9 458 458 458 68.9118592356197 68.9118592356197 68.9118592356197 1 1 0 3985 2.50425963177094 -0.748355854633723 0.548921211111845
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4507 M458T3799 M458T63.3 458 458 458 63.3109132648164 63.3109132648164 63.3109132648164 1 0 1 2836 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4508 M458T4182 M458.1T69.7 458.100006103516 458.100006103516 458.100006103516 69.6947584361798 69.6947584361798 69.6947584361798 1 1 0 6011 1.20962934352647 -0.133567857211628 0.906352866107803
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4509 M458T3038 M458.2T50.6 458.200012207031 458.200012207031 458.200012207031 50.6372073861865 50.6256074804401 50.6809417543792 3 2 1 [84][M]- 71 2.11897367318219 0.68572970751865 0.612595198825695
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4510 M458T2933 M458.2T48.9 458.200012207031 458.200012207031 458.200012207031 48.8799393304891 48.8002477541488 48.9596309068294 2 0 2 3619 1.39932231487283 -0.299325470289686 0.813508930702565
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4511 M458T3083 M458.3T51.4 458.300018310547 458.300018310547 458.300018310547 51.3885945251286 51.3364250393991 51.4407640108581 2 1 1 3525 1.19663567025382 -0.126091598151267 0.911512931415917
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4512 M458T3141 M458.3T52.3 458.300018310547 458.300018310547 458.300018310547 52.347929755268 52.347929755268 52.347929755268 1 0 1 67 2.23616250915448 0.756763088496013 0.583320947303915
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4513 M458T3642 M458.3T60.7 458.300018310547 458.300018310547 458.300018310547 60.6987516094856 60.6987516094856 60.6987516094856 1 0 1 1527 1.68069039891 0.611685776224206 0.629060333032688
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4514 M458T3370 M458.3T56.2 458.300018310547 458.300018310547 458.300018310547 56.1615912071323 56.1615912071323 56.1615912071323 1 1 0 5763 2.84776559062172 -0.646625198210628 0.63338957395314
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4515 M458T2902 M458.4T48.4 458.399993896484 458.399993896484 458.399993896484 48.3602650167811 48.3602650167811 48.3602650167811 1 0 1 4778 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4516 M458T3421 M458.4T57 458.399993896484 458.399993896484 458.399993896484 57.0178163473694 57.0178163473694 57.0178163473694 1 1 0 855 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4517 M459T4086 M458.8T68.1 458.800018310547 458.800018310547 458.800018310547 68.1020184864605 68.1020184864605 68.1020184864605 1 1 0 4961 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4518 M459T2967 M458.8T49.5 458.800018310547 458.800018310547 458.800018310547 49.4524999550582 49.4524999550582 49.4524999550582 1 0 1 3264 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4519 M459T2725 M458.9T45.4 458.899993896484 458.899993896484 458.899993896484 45.4187038156351 45.3345650607074 45.5028425705628 2 1 1 2504 1.49532710280369 0.275351612708293 0.812157961356182
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4520 M459T2752 M458.9T45.9 458.899993896484 458.899993896484 458.899993896484 45.8690289648392 45.8690289648392 45.8690289648392 1 1 0 4357 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4521 M459T4172 M459T69.5 459 459 459 69.5403852759756 69.5403852759756 69.5403852759756 1 1 0 4374 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4522 M459T3236 M459T53.9 459 459 459 53.9374787335219 53.9374787335219 53.9374787335219 1 0 1 [M+Cl]- 424.026 54 Inf 4.41406898890893 0.141831045070831
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4523 M459T3618 M459T60.3 459 459 459 60.297739820102 60.297739820102 60.297739820102 1 0 1 2589 Inf 1 0.5
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4524 M459T4207 M459T70.1 459 459 459 70.1161968284805 70.1161968284805 70.1161968284805 1 1 0 4921 7.98500601384571 -0.867985135538799 0.541330814931336
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4525 M459T4115 M459.1T68.6 459.100006103516 459.100006103516 459.100006103516 68.5861787915647 68.5499587263388 68.6223988567907 2 1 1 [85][M]- [M-H-H2S]- 494.106 43 1.12817668029265 -0.0959808215218832 0.932304752666463
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4526 M459T3142 M459.1T52.4 459.100006103516 459.100006103516 459.100006103516 52.3605456595381 52.3605456595381 52.3605456595381 1 0 1 [M-H-H2]- 462.111 67 1.36988255792598 -0.356191699990133 0.756222900950458
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4527 M459T3647 M459.1T60.8 459.100006103516 459.100006103516 459.100006103516 60.7880664087671 60.7880664087671 60.7880664087671 1 1 0 1541 5.67842472504007 -1.62464903193145 0.310416225482788
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4528 M459T3497 M459.2T58.3 459.200012207031 459.200012207031 459.200012207031 58.2751090000565 58.2751090000565 58.2751090000565 1 0 1 3507 3.85787841054812 1.05440735569771 0.448219426166744
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4529 M459T3038 M459.2T50.6 459.200012207031 459.200012207031 459.200012207031 50.6372073861865 50.6372073861865 50.6372073861865 1 0 1 [84][M+1]- 71 4.14450885364194 0.936083814299714 0.520949480654729
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4530 M459T3447 M459.2T57.4 459.200012207031 459.200012207031 459.200012207031 57.4459985873306 57.4459985873306 57.4459985873306 1 0 1 2931 6.2281998740167 1.04446958961604 0.475397745062296
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4531 M459T3668 M459.3T61.1 459.300018310547 459.300018310547 459.300018310547 61.1304609884513 61.1120731954829 61.1488487814198 2 2 0 [M-H]- 460.309 2 20.1828499209556 -2.17389168289571 0.269441238167802
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4532 M459T3653 M459.3T60.9 459.300018310547 459.300018310547 459.300018310547 60.8827979698692 60.8827979698692 60.8827979698692 1 0 1 2407 Inf 5.66680377568575 0.111197139469626
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4533 M459T4080 M459.3T68 459.300018310547 459.300018310547 459.300018310547 67.9974592945175 67.9974592945175 67.9974592945175 1 1 0 200 1.69423216618309 -0.399772213117559 0.752985748595549
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4534 M459T3876 M459.3T64.6 459.300018310547 459.300018310547 459.300018310547 64.5941080983655 64.5941080983655 64.5941080983655 1 0 1 [M+Cl]- 424.325 55 Inf 1.82143447955598 0.319639677072731
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4535 M459T3440 M459.3T57.3 459.300018310547 459.300018310547 459.300018310547 57.3369163968925 57.3369163968925 57.3369163968925 1 1 0 62 1.62371726714177 0.32707586111645 0.780084942247287
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4536 M459T3414 M459.3T56.9 459.300018310547 459.300018310547 459.300018310547 56.9019360311571 56.9019360311571 56.9019360311571 1 0 1 876 97.4253716615983 1.1187206228973 0.464325885905159
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4537 M459T3030 M459.3T50.5 459.300018310547 459.300018310547 459.300018310547 50.5066379466697 50.5066379466697 50.5066379466697 1 0 1 2149 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4538 M459T2771 M459.3T46.2 459.300018310547 459.300018310547 459.300018310547 46.1840071118045 46.1840071118045 46.1840071118045 1 1 0 5130 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4539 M459T3518 M459.3T58.6 459.300018310547 459.300018310547 459.300018310547 58.6355926720801 58.6355926720801 58.6355926720801 1 1 0 353 1.12295695850432 -0.108790318915156 0.923398661324766
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4540 M459T3689 M459.4T61.5 459.399993896484 459.399993896484 459.399993896484 61.4882293714724 61.4882293714724 61.4882293714724 1 0 1 602 Inf 1 0.5
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4541 M459T3509 M459.4T58.5 459.399993896484 459.399993896484 459.399993896484 58.489427289443 58.489427289443 58.489427289443 1 1 0 4527 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4542 M460T2684 M459.9T44.7 459.899993896484 459.899993896484 459.899993896484 44.734431164126 44.734431164126 44.734431164126 1 0 1 658 2.74015727379596 0.596572146102374 0.639932539669863
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4543 M460T2938 M459.9T49 459.899993896484 459.899993896484 459.899993896484 48.9596309068294 48.9596309068294 48.9596309068294 1 0 1 57 1.37106205207283 -0.218657580152506 0.848857028686503
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4544 M460T2595 M459.9T43.3 459.899993896484 459.899993896484 459.899993896484 43.2529278044834 43.2529278044834 43.2529278044834 1 0 1 2898 2.23896493109577 0.505259762202537 0.682060852340811
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4545 M460T4077 M460T67.9 460 460 460 67.9451753805342 67.9451753805342 67.9451753805342 1 1 0 3898 6.58683725663967 -0.838573119215274 0.550702782247162
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4546 M460T3927 M460T65.5 460 460 460 65.4569118275977 65.4569118275977 65.4569118275977 1 1 0 3004 Inf -1.90581241971882 0.307627479180643
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4547 M460T3083 M460T51.4 460 460 460 51.3881703455183 51.3881703455183 51.3881703455183 1 1 0 3526 Inf -12.9715191285379 0.0489813925407565
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lecorguille
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4548 M460T3318 M460T55.3 460 460 460 55.3005987432912 55.3005987432912 55.3005987432912 1 0 1 545 1.05844524865806 -0.0401374617103941 0.971640345663038
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4549 M460T3203 M460T53.4 460 460 460 53.376459305165 53.376459305165 53.376459305165 1 1 0 2167 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4550 M460T4205 M460T70.1 460 460 460 70.0751651438567 70.0751651438567 70.0751651438567 1 0 1 4933 9.55799278279962 0.890514874742232 0.534247770665115
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4551 M460T3585 M460T59.8 460 460 460 59.7519583899682 59.7519583899682 59.7519583899682 1 0 1 1702 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4552 M460T4116 M460.1T68.6 460.100006103516 460.100006103516 460.100006103516 68.5993140711977 68.5762292856048 68.6223988567907 2 1 1 [85][M+1]- 43 1.15892440504411 -0.12573530411921 0.911516825793619
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4553 M460T3444 M460.1T57.4 460.100006103516 460.100006103516 460.100006103516 57.4067412176714 57.4067412176714 57.4067412176714 1 1 0 [M-H-C2H4O2]- 521.132 62 4.28772049452507 -14.2992614753021 0.0436583054943998
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4554 M460T3500 M460.3T58.3 460.300018310547 460.300018310547 460.300018310547 58.3317289697945 58.3317289697945 58.3317289697945 1 1 0 3379 1.51406664313512 -0.746273679176675 0.549321587775476
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4555 M460T2817 M460.3T46.9 460.300018310547 460.300018310547 460.300018310547 46.9460942488542 46.9460942488542 46.9460942488542 1 0 1 [M-H-C2H4O]- 505.329 [M-H-CONH2]- 505.329 73 Inf 1.50739122369143 0.372891193161209
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4556 M460T4139 M460.3T69 460.300018310547 460.300018310547 460.300018310547 68.9884877004979 68.9884877004979 68.9884877004979 1 0 1 3986 2.76514634053245 0.600305386127917 0.638324541678406
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4557 M460T3601 M460.3T60 460.300018310547 460.300018310547 460.300018310547 60.019846142546 60.019846142546 60.019846142546 1 1 0 1434 1.91876052290668 -0.469772742624381 0.715844281360553
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4558 M460T2534 M460.3T42.2 460.300018310547 460.300018310547 460.300018310547 42.2332662432725 42.2332662432725 42.2332662432725 1 1 0 227 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4559 M460T2908 M460.4T48.5 460.399993896484 460.399993896484 460.399993896484 48.4642617623438 48.4642617623438 48.4642617623438 1 0 1 2773 10.9414898463149 1.37294620430331 0.394480219794372
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4560 M460T3686 M460.4T61.4 460.399993896484 460.399993896484 460.399993896484 61.4333791004629 61.4333791004629 61.4333791004629 1 1 0 603 5.65482282544939 -0.810582911139894 0.559803971475652
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4561 M460T3980 M460.4T66.3 460.399993896484 460.399993896484 460.399993896484 66.3305484080703 66.3305484080703 66.3305484080703 1 1 0 2047 3.17224933023341 -0.866198673301073 0.511794923799206
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4562 M460T3547 M460.4T59.1 460.399993896484 460.399993896484 460.399993896484 59.1164907588542 59.1164907588542 59.1164907588542 1 0 1 44 2.47206157058585 0.835521149625093 0.500756228064055
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4563 M460T4034 M460.4T67.2 460.399993896484 460.399993896484 460.399993896484 67.2391099437031 67.2391099437031 67.2391099437031 1 1 0 3746 1.4441686357741 -1.57347592150335 0.257643720631706
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4564 M460T3535 M460.5T58.9 460.5 460.5 460.5 58.9239943846015 58.9239943846015 58.9239943846015 1 0 1 1968 Inf 1.19367471445251 0.443939597997143
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4565 M461T2858 M460.8T47.6 460.800018310547 460.800018310547 460.800018310547 47.6321143162296 47.6321143162296 47.6321143162296 1 0 1 4264 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4566 M461T2784 M460.8T46.4 460.800018310547 460.800018310547 460.800018310547 46.3924307296657 46.3924307296657 46.3924307296657 1 0 1 919 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4567 M461T2832 M460.9T47.2 460.899993896484 460.899993896484 460.899993896484 47.2028217810781 47.2028217810781 47.2028217810781 1 1 0 4582 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4568 M461T2754 M460.9T45.9 460.899993896484 460.899993896484 460.899993896484 45.9053134137803 45.9053134137803 45.9053134137803 1 1 0 4601 Inf -4.50347727461638 0.139104876999582
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4569 M461T3864 M461T64.4 461 461 461 64.3982907460625 64.3982907460625 64.3982907460625 1 0 1 1395 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4570 M461T3772 M461T62.9 461 461 461 62.8703040107568 62.8703040107568 62.8703040107568 1 0 1 997 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4571 M461T3984 M461T66.4 461 461 461 66.4018487153635 66.4018487153635 66.4018487153635 1 1 0 4500 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4572 M461T3232 M461T53.9 461 461 461 53.8681541303073 53.8681541303073 53.8681541303073 1 0 1 2719 3.40678219871352 0.677868257827656 0.60679658457702
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4573 M461T3139 M461.1T52.3 461.100006103516 461.100006103516 461.100006103516 52.3216964859304 52.3216964859304 52.3216964859304 1 0 1 [M-H]- 462.111 67 1.17178755537377 0.149283328802913 0.904597349883687
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4574 M461T4119 M461.1T68.6 461.100006103516 461.100006103516 461.100006103516 68.6486319434924 68.6486319434924 68.6486319434924 1 1 0 4565 1.00478992830961 -0.00648713188098982 0.995789841448093
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4575 M461T3744 M461.2T62.4 461.200012207031 461.200012207031 461.200012207031 62.4013598181144 62.4013598181144 62.4013598181144 1 0 1 [M-H]- 462.21 14 14.0881015822353 1.01873852521839 0.494012292038648
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4576 M461T3906 M461.2T65.1 461.200012207031 461.200012207031 461.200012207031 65.0996975832556 65.0996975832556 65.0996975832556 1 1 0 4789 1.32041830671614 -0.450273707292841 0.720454957583935
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4577 M461T3752 M461.3T62.5 461.300018310547 461.300018310547 461.300018310547 62.5306043418375 62.5039961174716 62.5572125662033 2 1 1 [M-H-CH6O3]- 528.331 14 4.10254585401192 -0.749471333353046 0.583311995880644
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4578 M461T3300 M461.3T55 461.300018310547 461.300018310547 461.300018310547 54.998825175531 54.998825175531 54.998825175531 1 0 1 2606 2.83177539471949 0.6099499303218 0.634210388871029
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4579 M461T3253 M461.3T54.2 461.300018310547 461.300018310547 461.300018310547 54.2122618581946 54.2122618581946 54.2122618581946 1 1 0 1924 1.62710604707716 -0.328355942878899 0.779309939954406
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4580 M461T3858 M461.3T64.3 461.300018310547 461.300018310547 461.300018310547 64.2965273024001 64.2965273024001 64.2965273024001 1 1 0 21 14.2205039320461 -10.4908232118064 0.0111514907812595
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4581 M461T3151 M461.3T52.5 461.300018310547 461.300018310547 461.300018310547 52.51960179449 52.51960179449 52.51960179449 1 0 1 3039 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4582 M461T3931 M461.3T65.5 461.300018310547 461.300018310547 461.300018310547 65.5145053640489 65.5145053640489 65.5145053640489 1 1 0 3005 4.07387312128965 -0.732779824766606 0.586438613590976
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4583 M461T3571 M461.3T59.5 461.300018310547 461.300018310547 461.300018310547 59.5181671425825 59.5181671425825 59.5181671425825 1 1 0 1629 1.42431088196551 -0.288390516964957 0.816785034612039
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4584 M461T2598 M461.3T43.3 461.300018310547 461.300018310547 461.300018310547 43.3075214460137 43.3075214460137 43.3075214460137 1 1 0 2899 Inf -3.61027190332318 0.172022928826033
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4585 M461T3484 M461.4T58.1 461.399993896484 461.399993896484 461.399993896484 58.0652451156923 58.0652451156923 58.0652451156923 1 1 0 1798 5.0345634024747 -0.786017782108785 0.567977383570216
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4586 M461T2878 M461.4T48 461.399993896484 461.399993896484 461.399993896484 47.9683825080954 47.9683825080954 47.9683825080954 1 0 1 4722 Inf 1 0.5
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lecorguille
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4587 M461T3622 M461.4T60.4 461.399993896484 461.399993896484 461.399993896484 60.3625377209829 60.3625377209829 60.3625377209829 1 1 0 26 Inf -1.86795929012939 0.312912041209779
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4588 M461T3761 M461.4T62.7 461.399993896484 461.399993896484 461.399993896484 62.6870646660121 62.6870646660121 62.6870646660121 1 0 1 953 1.60744122508118 0.320869400533057 0.783855806016532
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4589 M461T3590 M461.4T59.8 461.399993896484 461.399993896484 461.399993896484 59.8354813214894 59.8354813214894 59.8354813214894 1 0 1 1703 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4590 M461T4023 M461.4T67 461.399993896484 461.399993896484 461.399993896484 67.0484207620529 67.0484207620529 67.0484207620529 1 0 1 5579 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4591 M461T3542 M461.4T59 461.399993896484 461.399993896484 461.399993896484 59.041466821452 59.041466821452 59.041466821452 1 1 0 2328 3.98834993501296 -0.726773373371781 0.58859527385893
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4592 M461T4182 M461.4T69.7 461.399993896484 461.399993896484 461.399993896484 69.6974427116147 69.6974427116147 69.6974427116147 1 1 0 6012 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4593 M461T3742 M461.4T62.4 461.399993896484 461.399993896484 461.399993896484 62.3721746432928 62.3721746432928 62.3721746432928 1 1 0 1066 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4594 M462T4136 M461.5T68.9 461.5 461.5 461.5 68.9368222184917 68.9368222184917 68.9368222184917 1 0 1 3987 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4595 M462T2815 M461.5T46.9 461.5 461.5 461.5 46.9211624598749 46.9211624598749 46.9211624598749 1 0 1 3301 Inf 1 0.5
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lecorguille
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4596 M462T2749 M461.7T45.8 461.700012207031 461.700012207031 461.700012207031 45.8096789840774 45.7503290033156 45.8690289648392 2 1 1 4358 1.34393986544564 -0.205317132786211 0.857698600273704
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4597 M462T2899 M461.8T48.3 461.800018310547 461.800018310547 461.800018310547 48.3153731170098 48.3153731170098 48.3153731170098 1 1 0 4773 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4598 M462T3054 M461.9T50.9 461.899993896484 461.899993896484 461.899993896484 50.9055268710087 50.8687961149804 50.942257627037 2 1 1 3496 1.6222664015904 -0.326526537344247 0.780417808573962
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4599 M462T4296_1 M461.9T71.6_1 461.899993896484 461.899993896484 461.899993896484 71.5976697805174 71.5520537127173 71.6432858483176 2 1 1 6140 1.39936608557853 -0.232196435042088 0.83995999761304
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4600 M462T2665 M461.9T44.4 461.899993896484 461.899993896484 461.899993896484 44.4125712037366 44.4125712037366 44.4125712037366 1 0 1 2267 Inf 16.4605564137695 0.03862799599642
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4601 M462T2905 M461.9T48.4 461.899993896484 461.899993896484 461.899993896484 48.4195025289281 48.4195025289281 48.4195025289281 1 1 0 3921 15.6319406874832 -0.934118990721687 0.520660147847953
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4602 M462T3736 M461.9T62.3 461.899993896484 461.899993896484 461.899993896484 62.2713910572077 62.2713910572077 62.2713910572077 1 0 1 5198 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4603 M462T2744 M461.9T45.7 461.899993896484 461.899993896484 461.899993896484 45.7378834453013 45.7378834453013 45.7378834453013 1 1 0 4616 6.81361475091199 -0.844191539280392 0.548899067125229
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4604 M462T4401 M461.9T73.4 461.899993896484 461.899993896484 461.899993896484 73.3517537127173 73.3517537127173 73.3517537127173 1 1 0 322 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4605 M462T2597 M461.9T43.3 461.899993896484 461.899993896484 461.899993896484 43.2765662432725 43.2765662432725 43.2765662432725 1 1 0 2880 6.25806451612912 -0.829680397744353 0.553572557285694
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4606 M462T2926 M461.9T48.8 461.899993896484 461.899993896484 461.899993896484 48.7744994224378 48.7744994224378 48.7744994224378 1 0 1 2873 8.54061184575908 0.87692174711836 0.538513204625847
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4607 M462T4296_2 M462T71.6_2 462 462 462 71.5985907944256 71.5389525149842 71.6582290738671 2 0 2 6141 2.11900096469405 1.61954398581078 0.25005134975835
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4608 M462T4144 M462T69.1 462 462 462 69.0660535572266 69.0660535572266 69.0660535572266 1 0 1 219 4.30793915236023 0.747982641802036 0.581050585722576
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4609 M462T2876 M462T47.9 462 462 462 47.9277143465266 47.9277143465266 47.9277143465266 1 0 1 4737 2.24831976855858 0.90601266978895 0.523502336417665
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4610 M462T3768 M462T62.8 462 462 462 62.7955019435712 62.7955019435712 62.7955019435712 1 1 0 998 9.81765439901883 -0.897511179135278 0.534013208365569
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4611 M462T3126 M462T52.1 462 462 462 52.0972710597599 52.0972710597599 52.0972710597599 1 1 0 5087 1.36492723709579 0.52937666650364 0.653294027623635
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4612 M462T2962 M462T49.4 462 462 462 49.3735693424124 49.3735693424124 49.3735693424124 1 0 1 3265 Inf 1.31742838850656 0.413338675969748
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4613 M462T4277 M462.1T71.3 462.100006103516 462.100006103516 462.100006103516 71.2859233598261 71.2859233598261 71.2859233598261 1 1 0 6106 1.11115830994462 0.0957730558528578 0.937329274883137
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4614 M462T3936 M462.1T65.6 462.100006103516 462.100006103516 462.100006103516 65.6072513111386 65.6072513111386 65.6072513111386 1 0 1 4158 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4615 M462T3551 M462.1T59.2 462.100006103516 462.100006103516 462.100006103516 59.18574987501 59.18574987501 59.18574987501 1 0 1 2352 1.5956491959714 0.37786061625089 0.745113190447058
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4616 M462T3624 M462.1T60.4 462.100006103516 462.100006103516 462.100006103516 60.3952301724741 60.3952301724741 60.3952301724741 1 0 1 1619 6.63046936136289 0.839684933683559 0.550345290753984
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4617 M462T3094 M462.2T51.6 462.200012207031 462.200012207031 462.200012207031 51.5712924145741 51.5712924145741 51.5712924145741 2 0 1 166 1.17384341367908 0.643192526966338 0.631265667014129
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4618 M462T4422 M462.2T73.7 462.200012207031 462.200012207031 462.200012207031 73.6926624072004 73.6926624072004 73.6926624072004 1 0 1 296 18.314619135698 0.943992699207193 0.517587783892788
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4619 M462T3342 M462.2T55.7 462.200012207031 462.200012207031 462.200012207031 55.6943136628657 55.6943136628657 55.6943136628657 1 0 1 [M+Cl]- 427.235 [M-H]- 463.21 9 4.83292093334664 0.944802507299306 0.51485237301627
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4620 M462T3377 M462.2T56.3 462.200012207031 462.200012207031 462.200012207031 56.2853419111995 56.2853419111995 56.2853419111995 1 0 1 [M+Cl]- 427.232 25 1.5016545941004 0.287270063220636 0.804908528177465
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4621 M462T2633 M462.3T43.9 462.300018310547 462.300018310547 462.300018310547 43.8872724426705 43.8872724426705 43.8872724426705 1 1 0 2658 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4622 M462T3837 M462.3T64 462.300018310547 462.300018310547 462.300018310547 63.9556912991038 63.9556912991038 63.9556912991038 1 1 0 3168 7.68900931219036 0.997311514976932 0.49503996123008
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4623 M462T4433 M462.3T73.9 462.300018310547 462.300018310547 462.300018310547 73.8752457405337 73.8752457405337 73.8752457405337 1 0 1 320 1.57062146892651 0.306464707980115 0.792691202738642
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4624 M462T2658 M462.3T44.3 462.300018310547 462.300018310547 462.300018310547 44.3054196313544 44.3054196313544 44.3054196313544 1 1 0 4068 2.4004412799638 0.538546887613588 0.66606928068122
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4625 M462T3654 M462.3T60.9 462.300018310547 462.300018310547 462.300018310547 60.9067779759985 60.9067779759985 60.9067779759985 1 1 0 [M-H-CH2]- 477.328 47 11.6642633973312 -0.910926542914128 0.527876201944846
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4626 M462T4397 M462.3T73.3 462.300018310547 462.300018310547 462.300018310547 73.2864858483176 73.2864858483176 73.2864858483176 1 0 1 6110 4.46896551724112 0.757501772423918 0.577726302362594
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4627 M462T4052 M462.3T67.5 462.300018310547 462.300018310547 462.300018310547 67.5256015533766 67.5256015533766 67.5256015533766 1 0 1 3430 2.40053654510959 0.748954234939978 0.559118531916305
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4628 M462T3280 M462.4T54.7 462.399993896484 462.399993896484 462.399993896484 54.6650660579157 54.6650660579157 54.6650660579157 1 1 0 1245 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4629 M462T2900 M462.4T48.3 462.399993896484 462.399993896484 462.399993896484 48.325362160335 48.325362160335 48.325362160335 1 1 0 4779 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4630 M462T3850 M462.4T64.2 462.399993896484 462.399993896484 462.399993896484 64.1652973195444 64.1652973195444 64.1652973195444 1 1 0 1396 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4631 M462T4158 M462.4T69.3 462.399993896484 462.399993896484 462.399993896484 69.2985478849763 69.2985478849763 69.2985478849763 1 0 1 311 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4632 M462T2814 M462.5T46.9 462.5 462.5 462.5 46.8937207675487 46.8937207675487 46.8937207675487 1 0 1 3326 12.3331303500536 1.04706717535584 0.483026513475566
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4633 M462T3189 M462.5T53.2 462.5 462.5 462.5 53.1554640236387 53.1554640236387 53.1554640236387 1 0 1 2198 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4634 M463T3759 M462.6T62.6 462.600006103516 462.600006103516 462.600006103516 62.6478733662186 62.6478733662186 62.6478733662186 1 1 0 999 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4635 M463T2796 M462.8T46.6 462.800018310547 462.800018310547 462.800018310547 46.5922044478449 46.5922044478449 46.5922044478449 1 0 1 3943 3.33698593791521 0.670853525637662 0.609507403137091
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4636 M463T2821 M462.9T47 462.899993896484 462.899993896484 462.899993896484 47.0246753525252 47.0246753525252 47.0246753525252 1 0 1 3320 1.052210652525 -0.0521811873734076 0.966796033164976
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4637 M463T4297 M463T71.6 463 463 463 71.6172025149842 71.6172025149842 71.6172025149842 1 0 1 6142 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4638 M463T3269 M463T54.5 463 463 463 54.4869112816259 54.4869112816259 54.4869112816259 1 0 1 5473 5.39332231181568 0.800934392853446 0.562991595660172
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4639 M463T3513 M463T58.6 463 463 463 58.5570487040932 58.5570487040932 58.5570487040932 1 1 0 [M-H-C3H3]- 503.028 [M-H-HC2N]- 503.028 119 4.50817205096436 -0.778068423193406 0.578990830284314
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4640 M463T2953 M463T49.2 463 463 463 49.2161434872003 49.2161434872003 49.2161434872003 1 0 1 3192 2.510881672089 0.674620699633829 0.590267138295548
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4641 M463T3151 M463T52.5 463 463 463 52.5131971488778 52.5131971488778 52.5131971488778 1 1 0 3054 3.68504928002116 -0.984367277817746 0.504799637926265
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4642 M463T3977 M463T66.3 463 463 463 66.2906090575801 66.2906090575801 66.2906090575801 1 0 1 2048 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4643 M463T3824 M463.1T63.7 463.100006103516 463.100006103516 463.100006103516 63.7250223306995 63.6773722568979 63.7726724045011 2 2 0 1854 4.47032696012273 -3.41964874787567 0.169842115850814
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4644 M463T4113 M463.1T68.5 463.100006103516 463.100006103516 463.100006103516 68.5462395905602 68.5462395905602 68.5462395905602 1 1 0 2308 1.4883210117387 -0.272337977108544 0.814070218951764
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4645 M463T3765 M463.1T62.7 463.100006103516 463.100006103516 463.100006103516 62.7423679484534 62.7423679484534 62.7423679484534 1 1 0 1000 1.63595354529585 -0.331678500686679 0.777302758479193
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4646 M463T3030 M463.1T50.5 463.100006103516 463.100006103516 463.100006103516 50.5065098516832 50.5065098516832 50.5065098516832 1 0 1 2125 3.59634723685323 0.931721820317978 0.520046342573345
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4647 M463T3045 M463.2T50.7 463.200012207031 463.200012207031 463.200012207031 50.7416782074152 50.7416782074152 50.7416782074152 1 0 1 4957 2.0866046480869 0.827520131711537 0.559890543490684
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4648 M463T3641 M463.2T60.7 463.200012207031 463.200012207031 463.200012207031 60.6860919996338 60.6860919996338 60.6860919996338 1 1 0 59 3.93380112395251 -1.86226458294041 0.299684018529851
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4649 M463T2790 M463.2T46.5 463.200012207031 463.200012207031 463.200012207031 46.5002415243792 46.5002415243792 46.5002415243792 1 0 1 900 Inf 1.73443403801609 0.332954421497212
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4650 M463T2935 M463.3T48.9 463.300018310547 463.300018310547 463.300018310547 48.9089703004758 48.9089703004758 48.9089703004758 1 0 1 2812 1.61668461761604 -0.324406032399347 0.781704361712116
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4651 M463T3708 M463.4T61.8 463.399993896484 463.399993896484 463.399993896484 61.8024089058433 61.8024089058433 61.8024089058433 1 0 1 1162 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4652 M463T2919 M463.4T48.7 463.399993896484 463.399993896484 463.399993896484 48.651933528336 48.651933528336 48.651933528336 1 0 1 2774 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4653 M463T4146 M463.4T69.1 463.399993896484 463.399993896484 463.399993896484 69.0919049656436 69.0919049656436 69.0919049656436 1 0 1 219 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4654 M463T2950 M463.4T49.2 463.399993896484 463.399993896484 463.399993896484 49.1632759659363 49.1632759659363 49.1632759659363 1 0 1 3193 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4655 M464T4048 M463.5T67.5 463.5 463.5 463.5 67.463174611105 67.463174611105 67.463174611105 1 0 1 4119 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4656 M464T2691 M463.9T44.9 463.899993896484 463.899993896484 463.899993896484 44.8574173038808 44.8574173038808 44.8574173038808 1 1 0 659 2.8306705528926 -0.609793568959177 0.634276632396974
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4657 M464T3744 M463.9T62.4 463.899993896484 463.899993896484 463.899993896484 62.3985051571993 62.3985051571993 62.3985051571993 1 1 0 1067 7.24396511647783 -0.85385661469801 0.545811899482809
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4658 M464T3978 M463.9T66.3 463.899993896484 463.899993896484 463.899993896484 66.3040690513673 66.3040690513673 66.3040690513673 1 1 0 2049 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4659 M464T3199 M464T53.3 464 464 464 53.3140261392106 53.3140261392106 53.3140261392106 1 0 1 [M+Cl]- 429.025 [M-H-C2H2O]- 507.027 [M-H-CN2H2]- 507.027 30 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4660 M464T3412 M464.1T56.9 464.100006103516 464.100006103516 464.100006103516 56.8725038913299 56.8268960641633 56.9181117184965 2 1 1 877 1.06808261672027 0.0819296985717793 0.942166723013746
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4661 M464T3504 M464.1T58.4 464.100006103516 464.100006103516 464.100006103516 58.403743769366 58.403743769366 58.403743769366 1 0 1 76 2.19861966781587 0.972017285025381 0.507154365863282
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4662 M464T4086 M464.1T68.1 464.100006103516 464.100006103516 464.100006103516 68.1034416077553 68.1034416077553 68.1034416077553 1 0 1 4983 4.9691873171821 0.783061164516624 0.568974445382207
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4663 M464T3462 M464.1T57.7 464.100006103516 464.100006103516 464.100006103516 57.7055867162183 57.7055867162183 57.7055867162183 1 0 1 1280 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4664 M464T3608 M464.1T60.1 464.100006103516 464.100006103516 464.100006103516 60.1271780204571 60.1271780204571 60.1271780204571 1 1 0 4673 1.69788729087973 -0.354169852422723 0.763885559019202
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4665 M464T3459 M464.2T57.7 464.200012207031 464.200012207031 464.200012207031 57.6519855855243 57.5256443986709 57.8075490504419 5 2 2 [86][M]- [M+Cl]- 429.233 [M-H]- 465.211 19 1.7187799973902 -1.55011081631587 0.364615081111472
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4666 M464T2520 M464.3T42 464.300018310547 464.300018310547 464.300018310547 42.0034047793471 42.0034047793471 42.0034047793471 1 1 0 5041 1.29507676558922 -0.185049926652431 0.871775616227226
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4667 M464T3856 M464.3T64.3 464.300018310547 464.300018310547 464.300018310547 64.2640666387519 64.2640666387519 64.2640666387519 1 1 0 [87][M]- [M+Cl]- 429.337 21 7.5522068862958 -0.896538257575338 0.532185607069991
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4668 M464T4205 M464.3T70.1 464.300018310547 464.300018310547 464.300018310547 70.0900225365801 70.0900225365801 70.0900225365801 1 1 0 4920 1.96653694564663 -0.53474306873081 0.66138881525974
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4669 M464T3289 M464.4T54.8 464.399993896484 464.399993896484 464.399993896484 54.8184125352391 54.8184125352391 54.8184125352391 1 0 1 2115 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4670 M464T4180 M464.4T69.7 464.399993896484 464.399993896484 464.399993896484 69.6712671024032 69.6712671024032 69.6712671024032 1 1 0 5993 1.81069244957051 -0.582029494126323 0.661834281504774
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4671 M464T4135 M464.4T68.9 464.399993896484 464.399993896484 464.399993896484 68.9178140980764 68.9178140980764 68.9178140980764 1 0 1 [M-H-C5H4]- 529.431 99 1.49632334168894 0.323406743706961 0.796875656011548
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4672 M464T2863 M464.4T47.7 464.399993896484 464.399993896484 464.399993896484 47.7118700931084 47.7118700931084 47.7118700931084 1 1 0 3650 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4673 M465T3942 M464.6T65.7 464.600006103516 464.600006103516 464.600006103516 65.6963095194456 65.6963095194456 65.6963095194456 1 1 0 4176 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4674 M465T2565 M464.7T42.8 464.700012207031 464.700012207031 464.700012207031 42.7549162432725 42.7549162432725 42.7549162432725 1 1 0 5870 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4675 M465T2965 M464.8T49.4 464.800018310547 464.800018310547 464.800018310547 49.4207679271708 49.4207679271708 49.4207679271708 1 0 1 3266 Inf 5.43040100187915 0.115933734154896
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4676 M465T2856 M464.9T47.6 464.899993896484 464.899993896484 464.899993896484 47.6078887989992 47.6078887989992 47.6078887989992 1 1 0 111 1.78534624666198 -0.43985827477312 0.736178494624057
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4677 M465T2730 M464.9T45.5 464.899993896484 464.899993896484 464.899993896484 45.4940257320348 45.4940257320348 45.4940257320348 1 0 1 2505 1.96489192470601 -1.29244529621908 0.404388653573959
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4678 M465T4074 M465T67.9 465 465 465 67.8928886682196 67.8928886682196 67.8928886682196 1 1 0 3899 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4679 M465T4110 M465.1T68.5 465.100006103516 465.100006103516 465.100006103516 68.4974193491718 68.4456488229912 68.4974193491718 3 0 2 [M-H-CO]- 494.106 43 2.67576623688493 0.789425095678841 0.564347963384312
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4680 M465T2633 M465.1T43.9 465.100006103516 465.100006103516 465.100006103516 43.8803971347528 43.8803971347528 43.8803971347528 1 1 0 2659 3.50485541820078 -1.23195836787104 0.429442763267591
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4681 M465T4216 M465.1T70.3 465.100006103516 465.100006103516 465.100006103516 70.259331640986 70.259331640986 70.259331640986 1 0 1 5328 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4682 M465T3460 M465.2T57.7 465.200012207031 465.200012207031 465.200012207031 57.6674949099983 57.6192757969965 57.6800603677098 4 2 2 [86][M+1]- 19 1.08348267136266 -0.640248019276023 0.627594645416371
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4683 M465T3713 M465.3T61.9 465.300018310547 465.300018310547 465.300018310547 61.8807356532575 61.8807356532575 61.8807356532575 1 0 1 1158 2.4811081466428 0.901766720447144 0.467769988668099
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4684 M465T3856 M465.3T64.3 465.300018310547 465.300018310547 465.300018310547 64.2640666387519 64.2640666387519 64.2640666387519 1 1 0 [87][M+1]- 21 8.13831055076039 -0.903854437605541 0.531079711010448
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4685 M465T3413 M465.3T56.9 465.300018310547 465.300018310547 465.300018310547 56.8761366204799 56.8761366204799 56.8761366204799 1 0 1 878 5.22059015931287 0.794015344530126 0.565295208621972
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4686 M465T4081 M465.4T68 465.399993896484 465.399993896484 465.399993896484 68.0246480020215 68.0246480020215 68.0246480020215 1 0 1 5727 7.0394530096363 1.26093816712265 0.413390022695646
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4687 M465T2961 M465.4T49.3 465.399993896484 465.399993896484 465.399993896484 49.3433641921201 49.3433641921201 49.3433641921201 1 0 1 3267 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4688 M465T3714 M465.4T61.9 465.399993896484 465.399993896484 465.399993896484 61.8971068061294 61.8971068061294 61.8971068061294 1 1 0 1185 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4689 M466T2860 M465.5T47.7 465.5 465.5 465.5 47.6598499993641 47.6598499993641 47.6598499993641 1 1 0 4251 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4690 M466T4012 M465.5T66.9 465.5 465.5 465.5 66.8666235855479 66.8666235855479 66.8666235855479 1 0 1 5226 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4691 M466T2628 M465.7T43.8 465.700012207031 465.700012207031 465.700012207031 43.8030341593415 43.8030341593415 43.8030341593415 1 0 1 2660 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4692 M466T2529 M465.9T42.2 465.899993896484 465.899993896484 465.899993896484 42.1550162432725 42.1550162432725 42.1550162432725 1 1 0 5600 3.01463766365306 -0.667864862942926 0.624911011319158
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4693 M466T3046 M465.9T50.8 465.899993896484 465.899993896484 465.899993896484 50.7592682682344 50.7592682682344 50.7592682682344 1 1 0 4951 Inf -2.42384595568584 0.249105012725962
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4694 M466T2646 M465.9T44.1 465.899993896484 465.899993896484 465.899993896484 44.1068597689247 44.1068597689247 44.1068597689247 1 0 1 5943 1.28883525249187 0.199000938566195 0.865846743460419
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4695 M466T3989 M465.9T66.5 465.899993896484 465.899993896484 465.899993896484 66.489405004446 66.489405004446 66.489405004446 1 1 0 4475 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4696 M466T2934_1 M465.9T48.9_1 465.899993896484 465.899993896484 465.899993896484 48.9035628366548 48.9035628366548 48.9035628366548 1 0 1 2813 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4697 M466T3983 M466T66.4 466 466 466 66.3906514253225 66.3835047023264 66.3977981483185 2 1 1 4473 1.44921878546336 -0.255129451697238 0.825075720354248
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4698 M466T3382 M466T56.4 466 466 466 56.3628026112301 56.3628026112301 56.3628026112301 1 1 0 1578 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4699 M466T3478 M466.1T58 466.100006103516 466.100006103516 466.100006103516 57.9618704794128 57.9618704794128 57.9618704794128 1 1 0 1799 1.25783878307374 -0.16045631066481 0.887922725222215
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4700 M466T3466 M466.1T57.8 466.100006103516 466.100006103516 466.100006103516 57.7600924594815 57.7600924594815 57.7600924594815 1 0 1 4031 Inf 1.49200758394472 0.375905455419646
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4701 M466T3448 M466.1T57.5 466.100006103516 466.100006103516 466.100006103516 57.4598633133233 57.4598633133233 57.4598633133233 1 1 0 [M-H-H6O3]- 521.132 62 14.0794226532023 -1.08561409181532 0.472764768164083
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4702 M466T4135 M466.1T68.9 466.100006103516 466.100006103516 466.100006103516 68.9118592356197 68.9118592356197 68.9118592356197 1 1 0 3988 2.12734930261289 -0.697712849455065 0.611998491458909
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4703 M466T3687 M466.2T61.4 466.200012207031 466.200012207031 466.200012207031 61.4490601170994 61.3747744916309 61.5406969583524 4 2 2 [88][M]- 5 1.24616795835631 -0.653070698457346 0.631606844849624
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4704 M466T3462 M466.2T57.7 466.200012207031 466.200012207031 466.200012207031 57.7036355903823 57.5789997539544 57.7254727150423 3 2 1 [86][M+2]- 19 1.4494670421966 -1.78896799518837 0.324103330464042
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4705 M466T2539 M466.2T42.3 466.200012207031 466.200012207031 466.200012207031 42.3163881126804 42.3163881126804 42.3163881126804 1 1 0 5561 4.82061151964476 -2.33168392813832 0.251210319752566
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4706 M466T3188 M466.2T53.1 466.200012207031 466.200012207031 466.200012207031 53.1329803707082 53.1329803707082 53.1329803707082 1 1 0 [M+Cl]- 431.23 [M-H-HCNO]- 510.225 40 3.19853398121303 -2.1781053027837 0.16350162769106
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4707 M466T3495 M466.2T58.2 466.200012207031 466.200012207031 466.200012207031 58.2456075639651 58.2456075639651 58.2456075639651 1 1 0 [M+Cl]- 431.228 3504 1.31497702964799 0.584179552539704 0.632074080190147
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4708 M466T3734 M466.2T62.2 466.200012207031 466.200012207031 466.200012207031 62.2408204419624 62.2408204419624 62.2408204419624 1 1 0 84 1.42238995386789 -0.352355884167375 0.758237850404809
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4709 M466T3730 M466.3T62.2 466.300018310547 466.300018310547 466.300018310547 62.1585665606878 62.1585665606878 62.1585665606878 1 0 1 3571 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4710 M466T2712 M466.4T45.2 466.399993896484 466.399993896484 466.399993896484 45.2077855778326 45.2077855778326 45.2077855778326 1 1 0 2506 Inf -1.75282341543231 0.330056771333078
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4711 M466T4113 M466.4T68.5 466.399993896484 466.399993896484 466.399993896484 68.5490222088792 68.5490222088792 68.5490222088792 1 0 1 [M-H-C2H4O2]- 527.43 43 2.64472975180657 0.581696301111859 0.646426850840958
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4712 M466T2592 M466.4T43.2 466.399993896484 466.399993896484 466.399993896484 43.2031881126804 43.2031881126804 43.2031881126804 1 1 0 2900 2.10204558455567 -0.473430449916371 0.698046118912544
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4713 M466T2799 M466.4T46.7 466.399993896484 466.399993896484 466.399993896484 46.652272668544 46.652272668544 46.652272668544 1 1 0 3944 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4714 M466T3874 M466.5T64.6 466.5 466.5 466.5 64.5594389014952 64.5594389014952 64.5594389014952 1 1 0 2747 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4715 M466T2906 M466.5T48.4 466.5 466.5 466.5 48.4306212242677 48.4306212242677 48.4306212242677 1 1 0 3930 Inf -1 0.5
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lecorguille
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4716 M466T3323 M466.5T55.4 466.5 466.5 466.5 55.3848825154218 55.3848825154218 55.3848825154218 1 0 1 1147 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4717 M466T2934_2 M466.5T48.9_2 466.5 466.5 466.5 48.8971335724859 48.8971335724859 48.8971335724859 1 1 0 2814 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4718 M467T3937 M466.8T65.6 466.800018310547 466.800018310547 466.800018310547 65.6156558985987 65.6156558985987 65.6156558985987 1 1 0 4159 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4719 M467T3989 M466.9T66.5 466.899993896484 466.899993896484 466.899993896484 66.4803432912278 66.4803432912278 66.4803432912278 1 1 0 4501 Inf -4.20288839186686 0.148706946294248
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4720 M467T4122 M467T68.7 467 467 467 68.7011070246547 68.7011070246547 68.7011070246547 1 1 0 1732 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4721 M467T4110 M467T68.5 467 467 467 68.4939886959916 68.4939886959916 68.4939886959916 1 1 0 2309 9.71618051182354 -0.89236504752733 0.5336688033454
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4722 M467T3329 M467T55.5 467 467 467 55.4818278558154 55.4818278558154 55.4818278558154 1 1 0 1114 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4723 M467T3387 M467T56.4 467 467 467 56.4418830673972 56.4418830673972 56.4418830673972 1 0 1 1579 4.10468960535946 1.48962607227877 0.307730181187178
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4724 M467T3354 M467T55.9 467 467 467 55.8995343162344 55.8995343162344 55.8995343162344 1 1 0 690 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4725 M467T3492 M467.1T58.2 467.100006103516 467.100006103516 467.100006103516 58.1941890144878 58.1941890144878 58.1941890144878 1 1 0 1800 Inf -2.33522060067474 0.257575808867146
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4726 M467T3744 M467.1T62.4 467.100006103516 467.100006103516 467.100006103516 62.4013598181144 62.4013598181144 62.4013598181144 1 0 1 1022 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4727 M467T3458 M467.1T57.6 467.100006103516 467.100006103516 467.100006103516 57.6312967005008 57.6312967005008 57.6312967005008 1 0 1 1281 1.1433959827185 0.094401704170115 0.933531070241723
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4728 M467T4074 M467.1T67.9 467.100006103516 467.100006103516 467.100006103516 67.9029493123408 67.9029493123408 67.9029493123408 1 0 1 3900 3.81982010632587 4.36454755075203 0.0492672945954471
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4729 M467T3957 M467.1T66 467.100006103516 467.100006103516 467.100006103516 65.9533389124641 65.9533389124641 65.9533389124641 1 0 1 5396 8.03774043117554 1.20173224573213 0.433056549249603
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4730 M467T3196 M467.1T53.3 467.100006103516 467.100006103516 467.100006103516 53.2595450161717 53.2595450161717 53.2595450161717 1 0 1 30 1.12774970935156 0.109248496413004 0.924816846804685
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4731 M467T3835 M467.1T63.9 467.100006103516 467.100006103516 467.100006103516 63.9121273682354 63.9121273682354 63.9121273682354 1 0 1 3356 4.58233035795252 0.763794431003189 0.575548699075698
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4732 M467T3688 M467.2T61.5 467.200012207031 467.200012207031 467.200012207031 61.4747214599728 61.3483665505046 61.5406969583524 4 2 2 [88][M+1]- 5 1.40343661281594 -0.986197839617538 0.466257721428044
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4733 M467T3652 M467.3T60.9 467.300018310547 467.300018310547 467.300018310547 60.873624272266 60.8563312514763 60.8909172930556 2 1 1 47 1.16458816231359 0.338296342003687 0.781535587361501
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4734 M467T4146 M467.3T69.1 467.300018310547 467.300018310547 467.300018310547 69.0948871460575 69.0948871460575 69.0948871460575 1 1 0 5826 2.18782063442665 -1.02647027214372 0.434190276801458
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4735 M467T3876 M467.4T64.6 467.399993896484 467.399993896484 467.399993896484 64.6054379689264 64.6054379689264 64.6054379689264 1 1 0 2748 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4736 M468T4149 M467.5T69.1 467.5 467.5 467.5 69.1468068575433 69.1468068575433 69.1468068575433 1 1 0 6182 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4737 M468T2556 M467.8T42.6 467.800018310547 467.800018310547 467.800018310547 42.5948979429084 42.4965278044834 42.6932680813334 2 0 2 3079 8.11964026240086 6.81594851758342 0.068392401907821
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4738 M468T2726 M467.9T45.4 467.899993896484 467.899993896484 467.899993896484 45.4394502518115 45.4394502518115 45.4394502518115 1 1 0 2507 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4739 M468T3002 M468T50 468 468 468 50.0337327095693 50.0337327095693 50.0337327095693 1 1 0 4092 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4740 M468T3105 M468.1T51.8 468.100006103516 468.100006103516 468.100006103516 51.7554236832621 51.7554236832621 51.7554236832621 1 1 0 3142 8.04396324466125 -0.868993908666048 0.541012158597887
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4741 M468T3913 M468.1T65.2 468.100006103516 468.100006103516 468.100006103516 65.2216948348315 65.2216948348315 65.2216948348315 1 0 1 5150 1.07520583642096 -0.0512177339676552 0.963828909939132
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4742 M468T2628 M468.1T43.8 468.100006103516 468.100006103516 468.100006103516 43.8030341593415 43.8030341593415 43.8030341593415 1 0 1 2661 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4743 M468T2583 M468.1T43 468.100006103516 468.100006103516 468.100006103516 43.0442611378167 43.0442611378167 43.0442611378167 1 0 1 197 1.00572792362768 -0.00403867052527138 0.99714425092234
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4744 M468T2939 M468.2T49 468.200012207031 468.200012207031 468.200012207031 48.9871652682791 48.9871652682791 48.9871652682791 2 1 0 57 13.7817675184247 -1.04056453444308 0.487322208260163
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4745 M468T3705 M468.2T61.8 468.200012207031 468.200012207031 468.200012207031 61.7548141636062 61.7179601262685 61.7916682009438 2 1 1 1163 3.89809217074854 -7.55156738579413 0.0384248471222399
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4746 M468T3134 M468.2T52.2 468.200012207031 468.200012207031 468.200012207031 52.2321821670953 52.1689159708957 52.2954483632949 2 1 1 4987 1.6683835324011 -1.32637593392695 0.33112079522917
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4747 M468T2921 M468.2T48.7 468.200012207031 468.200012207031 468.200012207031 48.6915983444075 48.6915983444075 48.6915983444075 1 1 0 [M-H-CO2]- 513.205 [M-H-N2O]- 513.205 60 8.42200185479818 -1.07547606739528 0.476590624316173
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4748 M468T3480 M468.2T58 468.200012207031 468.200012207031 468.200012207031 57.9918978803344 57.9918978803344 57.9918978803344 1 0 1 31 1.53373476082409 0.353455419566102 0.757977755232152
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4749 M468T2935 M468.3T48.9 468.300018310547 468.300018310547 468.300018310547 48.9157204524411 48.8971335724859 48.9343073323962 2 1 1 2794 1.00557849007408 0.00809264552563147 0.994282367879366
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4750 M468T3801 M468.3T63.4 468.300018310547 468.300018310547 468.300018310547 63.3538872691912 63.3538872691912 63.3538872691912 1 1 0 2837 3.16202455449376 0.700783044858972 0.607120564088431
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4751 M468T2755 M468.3T45.9 468.300018310547 468.300018310547 468.300018310547 45.9108043388673 45.9108043388673 45.9108043388673 1 0 1 4602 1.1951047281008 0.19739207193802 0.861881895722809
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4752 M468T3971 M468.4T66.2 468.399993896484 468.399993896484 468.399993896484 66.1869894292907 66.1329293615875 66.2410494969939 2 0 2 1992 Inf 8.86962137588946 0.0714734837424458
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4753 M468T2892 M468.4T48.2 468.399993896484 468.399993896484 468.399993896484 48.1938269168166 48.1938269168166 48.1938269168166 1 1 0 3834 1.15335794121234 -0.100463071504613 0.929303020226063
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4754 M468T3735 M468.4T62.3 468.399993896484 468.399993896484 468.399993896484 62.2580574860459 62.2580574860459 62.2580574860459 1 1 0 3572 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4755 M468T3228 M468.4T53.8 468.399993896484 468.399993896484 468.399993896484 53.8070128056854 53.8070128056854 53.8070128056854 1 1 0 2720 36.6402680258968 -1.02177542354522 0.492922101593266
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4756 M468T2821 M468.4T47 468.399993896484 468.399993896484 468.399993896484 47.0246753525252 47.0246753525252 47.0246753525252 1 0 1 3288 3.06526476796391 -0.640539289627956 0.621534331623089
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4757 M468T3992 M468.4T66.5 468.399993896484 468.399993896484 468.399993896484 66.5271438369514 66.5271438369514 66.5271438369514 1 0 1 4502 5.87541887758103 0.818035426741189 0.557360477125015
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4758 M468T2698 M468.5T45 468.5 468.5 468.5 44.9610546101059 44.9610546101059 44.9610546101059 1 1 0 5071 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4759 M468T3935 M468.5T65.6 468.5 468.5 468.5 65.5809837470753 65.5809837470753 65.5809837470753 1 0 1 4160 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4760 M469T4220 M468.6T70.3 468.600006103516 468.600006103516 468.600006103516 70.3297904661244 70.3297904661244 70.3297904661244 1 0 1 164 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4761 M469T3826 M468.9T63.8 468.899993896484 468.899993896484 468.899993896484 63.7726724045011 63.7726724045011 63.7726724045011 1 1 0 1888 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4762 M469T4228 M468.9T70.5 468.899993896484 468.899993896484 468.899993896484 70.4587200129397 70.4587200129397 70.4587200129397 1 0 1 5425 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4763 M469T2873 M469T47.9 469 469 469 47.881268787147 47.881268787147 47.881268787147 1 1 0 4763 1.27622939239898 -0.17037046097083 0.881182890758193
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4764 M469T3657 M469T61 469 469 469 60.9582703826059 60.9582703826059 60.9582703826059 1 1 0 2408 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4765 M469T4110 M469T68.5 469 469 469 68.4973340588448 68.4973340588448 68.4973340588448 1 0 1 [M+Cl]- 434.033 43 1.9014775838084 -0.506558664513921 0.668689529637268
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4766 M469T2793 M469T46.6 469 469 469 46.5527161304661 46.5527161304661 46.5527161304661 1 0 1 [M+Cl]- 434.037 12 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4767 M469T2864 M469.1T47.7 469.100006103516 469.100006103516 469.100006103516 47.7324648504356 47.7324648504356 47.7324648504356 1 0 1 87 3.7472169908774 0.708345987819703 0.59531558970015
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4768 M469T3487 M469.1T58.1 469.100006103516 469.100006103516 469.100006103516 58.1215299649984 58.1215299649984 58.1215299649984 1 1 0 1801 7.18581782748595 -0.85262051515315 0.546205679755083
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4769 M469T2541 M469.1T42.4 469.100006103516 469.100006103516 469.100006103516 42.3542014146668 42.3542014146668 42.3542014146668 1 0 1 5548 3.51460558301888 0.711931568648855 0.604233984412826
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4770 M469T2751 M469.1T45.9 469.100006103516 469.100006103516 469.100006103516 45.8532930482166 45.8532930482166 45.8532930482166 1 1 0 4359 1.24914206565461 0.155702968223626 0.891165245277588
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4771 M469T3880 M469.2T64.7 469.200012207031 469.200012207031 469.200012207031 64.6726318582847 64.6726318582847 64.6726318582847 1 0 1 132 2.3908901070607 0.55760465496177 0.657774953655708
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4772 M469T3853 M469.2T64.2 469.200012207031 469.200012207031 469.200012207031 64.211209351416 64.211209351416 64.211209351416 1 1 0 21 1.3656371302541 0.23016127295914 0.841644836442976
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4773 M469T2936 M469.2T48.9 469.200012207031 469.200012207031 469.200012207031 48.9352719854572 48.9352719854572 48.9352719854572 1 1 0 [M-H-CO2]- 514.205 [M-H-N2O]- 514.205 57 11.3309945990673 -1.11718079790612 0.461435844506768
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4774 M469T3038 M469.2T50.6 469.200012207031 469.200012207031 469.200012207031 50.6287345312965 50.6287345312965 50.6287345312965 1 1 0 3225 12.7662265611006 -2.74714461440011 0.201013362007046
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4775 M469T3898 M469.3T65 469.300018310547 469.300018310547 469.300018310547 64.9603311356583 64.9603311356583 64.9603311356583 1 0 1 5755 4.96017793161731 0.814299257703678 0.555809008712348
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4776 M469T2725 M469.3T45.4 469.300018310547 469.300018310547 469.300018310547 45.4214590396891 45.4214590396891 45.4214590396891 1 0 1 2456 3.06200273779665 1.64398095575431 0.274990153765135
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4777 M469T3453 M469.4T57.5 469.399993896484 469.399993896484 469.399993896484 57.547819664993 57.547819664993 57.547819664993 1 1 0 74 2.0856347407564 -0.46936643108501 0.700136101476937
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4778 M469T3741 M469.4T62.3 469.399993896484 469.399993896484 469.399993896484 62.3426838656814 62.3426838656814 62.3426838656814 1 0 1 1018 Inf 1.65761809081508 0.345572686720694
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4779 M469T3813 M469.4T63.6 469.399993896484 469.399993896484 469.399993896484 63.556829274789 63.556829274789 63.556829274789 1 0 1 2392 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4780 M469T3957 M469.4T66 469.399993896484 469.399993896484 469.399993896484 65.9569495268011 65.9569495268011 65.9569495268011 1 1 0 5397 5.11173077904425 -1.05597759225526 0.475661643145752
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4781 M470T3865 M469.5T64.4 469.5 469.5 469.5 64.4245704195963 64.4245704195963 64.4245704195963 1 0 1 1397 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4782 M470T3904 M469.5T65.1 469.5 469.5 469.5 65.0604157244199 65.0604157244199 65.0604157244199 1 1 0 4841 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4783 M470T4113 M469.6T68.5 469.600006103516 469.600006103516 469.600006103516 68.5490222088792 68.5490222088792 68.5490222088792 1 0 1 2310 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4784 M470T3894 M469.9T64.9 469.899993896484 469.899993896484 469.899993896484 64.9020495317245 64.9020495317245 64.9020495317245 1 1 0 4905 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4785 M470T4048 M469.9T67.5 469.899993896484 469.899993896484 469.899993896484 67.4671591808225 67.4671591808225 67.4671591808225 1 1 0 4120 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4786 M470T2667 M469.9T44.4 469.899993896484 469.899993896484 469.899993896484 44.4477486267792 44.4477486267792 44.4477486267792 1 1 0 4050 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4787 M470T3375 M470T56.3 470 470 470 56.2560439698153 56.2560439698153 56.2560439698153 1 0 1 1580 Inf 1 0.5
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4788 M470T3255 M470T54.3 470 470 470 54.2513997954515 54.2513997954515 54.2513997954515 1 0 1 [M-H-C2H2]- 497.028 34 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4789 M470T2744 M470.1T45.7 470.100006103516 470.100006103516 470.100006103516 45.7378834453013 45.7378834453013 45.7378834453013 1 1 0 122 Inf -1.38193884580928 0.398780995171755
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4790 M470T3708 M470.1T61.8 470.100006103516 470.100006103516 470.100006103516 61.7916682009438 61.7916682009438 61.7916682009438 1 0 1 1186 4.02628630651369 0.729469595060514 0.587625171379231
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4791 M470T2918 M470.1T48.6 470.100006103516 470.100006103516 470.100006103516 48.6251346470619 48.6251346470619 48.6251346470619 1 1 0 56 3.79580864690244 -1.37306349620575 0.332595558621619
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4792 M470T3550 M470.1T59.2 470.100006103516 470.100006103516 470.100006103516 59.1686352975791 59.1686352975791 59.1686352975791 1 0 1 2329 2.78239990447484 0.602845437334532 0.63723543502146
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4793 M470T3566 M470.1T59.4 470.100006103516 470.100006103516 470.100006103516 59.4357194890303 59.4357194890303 59.4357194890303 1 1 0 1676 7.09023349055379 -1.06174777954015 0.472601530767615
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4794 M470T3875 M470.1T64.6 470.100006103516 470.100006103516 470.100006103516 64.5792961109386 64.5792961109386 64.5792961109386 1 1 0 55 2.1739272902197 -0.602473169405529 0.637579901412678
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4795 M470T3628 M470.1T60.5 470.100006103516 470.100006103516 470.100006103516 60.4663663640059 60.4663663640059 60.4663663640059 1 1 0 [M+Cl]- 435.125 26 1.27126937905394 -0.214405941758604 0.851190577295411
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4796 M470T3621 M470.2T60.3 470.200012207031 470.200012207031 470.200012207031 60.3448191946649 60.3448191946649 60.3448191946649 1 0 1 26 2.31338419392889 0.72724457917207 0.59664438704207
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4797 M470T2931 M470.2T48.9 470.200012207031 470.200012207031 470.200012207031 48.8574872681435 48.8574872681435 48.8574872681435 1 1 0 [M-H+CF3COOH]- 357.225 3616 15.3067390009486 -1.35308026617901 0.402251127611468
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4798 M470T4132 M470.3T68.9 470.300018310547 470.300018310547 470.300018310547 68.8596528462587 68.8596528462587 68.8596528462587 1 1 0 1500 19.4635648283718 -0.982900140669758 0.505330774331918
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4799 M470T3046 M470.3T50.8 470.300018310547 470.300018310547 470.300018310547 50.7677971321833 50.7677971321833 50.7677971321833 1 0 1 4952 10.408304001714 2.96833949468853 0.204456640446359
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4800 M470T3785 M470.3T63.1 470.300018310547 470.300018310547 470.300018310547 63.0816516534975 63.0816516534975 63.0816516534975 1 0 1 [89][M]- [M-H-C4H4]- 523.333 88 41.899863672301 1.09679962094305 0.470426053693471
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4801 M470T3382 M470.3T56.4 470.300018310547 470.300018310547 470.300018310547 56.362268834553 56.362268834553 56.362268834553 1 0 1 25 1.72441503724067 0.864895954751509 0.495245373533073
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4802 M470T3897 M470.4T65 470.399993896484 470.399993896484 470.399993896484 64.9548278510015 64.9548278510015 64.9548278510015 1 1 0 5756 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4803 M470T3700 M470.4T61.7 470.399993896484 470.399993896484 470.399993896484 61.6682829556225 61.6682829556225 61.6682829556225 1 1 0 4191 1.17864208766611 0.11557337331315 0.918796091178398
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4804 M470T3097 M470.4T51.6 470.399993896484 470.399993896484 470.399993896484 51.624893231595 51.624893231595 51.624893231595 1 1 0 5370 1.1030147498427 0.0691913299754727 0.951185986865491
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lecorguille
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4805 M470T2710 M470.4T45.2 470.399993896484 470.399993896484 470.399993896484 45.1672414316353 45.1672414316353 45.1672414316353 1 1 0 225 Inf -1 0.5
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4806 M470T4135 M470.4T68.9 470.399993896484 470.399993896484 470.399993896484 68.9178140980764 68.9178140980764 68.9178140980764 1 0 1 3989 5.19720081605968 1.21277127863531 0.414379758653228
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4807 M470T3605 M470.4T60.1 470.399993896484 470.399993896484 470.399993896484 60.0797479558412 60.0797479558412 60.0797479558412 1 0 1 1434 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4808 M470T3730 M470.4T62.2 470.399993896484 470.399993896484 470.399993896484 62.1622607964519 62.1622607964519 62.1622607964519 1 1 0 [M-H-H2O]- 489.41 84 1.21134952887552 -0.134550200158445 0.905675943505279
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4809 M470T2980 M470.4T49.7 470.399993896484 470.399993896484 470.399993896484 49.6634559810655 49.6634559810655 49.6634559810655 1 0 1 5279 Inf 5.18635980373477 0.121260772769923
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4810 M470T4000 M470.4T66.7 470.399993896484 470.399993896484 470.399993896484 66.6585081837622 66.6585081837622 66.6585081837622 1 0 1 6155 1.2643942679492 -0.233148873472115 0.843016504802935
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4811 M470T4219 M470.4T70.3 470.399993896484 470.399993896484 470.399993896484 70.3208179544196 70.3208179544196 70.3208179544196 1 1 0 5329 7.18199961935005 -0.852538624190258 0.546231778000774
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4812 M470T3443 M470.4T57.4 470.399993896484 470.399993896484 470.399993896484 57.389891806622 57.389891806622 57.389891806622 1 1 0 2932 Inf -1 0.5
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4813 M470T4141 M470.5T69 470.5 470.5 470.5 69.0229328498659 69.0229328498659 69.0229328498659 1 0 1 4238 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4814 M471T3439 M470.8T57.3 470.800018310547 470.800018310547 470.800018310547 57.3103849225685 57.3103849225685 57.3103849225685 1 1 0 4892 Inf -1 0.5
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4815 M471T2784 M470.9T46.4 470.899993896484 470.899993896484 470.899993896484 46.3931016285452 46.3931016285452 46.3931016285452 1 1 0 920 Inf -1.16048524613439 0.452797277524432
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4816 M471T2608 M470.9T43.5 470.899993896484 470.899993896484 470.899993896484 43.4591495766058 43.4591495766058 43.4591495766058 1 1 0 4015 Inf -1 0.5
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4817 M471T3098 M471T51.6 471 471 471 51.6266425318122 51.6266425318122 51.6266425318122 1 1 0 5371 Inf -1.48216058098833 0.377857497280297
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4818 M471T2688 M471T44.8 471 471 471 44.7931198317599 44.7931198317599 44.7931198317599 1 0 1 6 2.15821476157627 0.573139189387964 0.637142868631302
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4819 M471T3462 M471T57.7 471 471 471 57.7055867162183 57.7055867162183 57.7055867162183 1 0 1 1282 1.66479473981871 0.342316732108581 0.770919290969338
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4820 M471T4211 M471T70.2 471 471 471 70.1903736491491 70.1903736491491 70.1903736491491 1 1 0 4934 3.75713175267115 -0.709150670547982 0.595018764551565
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4821 M471T3247 M471T54.1 471 471 471 54.1164175871224 54.1164175871224 54.1164175871224 1 1 0 3461 1.60212051104453 -0.318819328953633 0.78510617361118
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4822 M471T3023 M471.1T50.4 471.100006103516 471.100006103516 471.100006103516 50.377546440684 50.377546440684 50.377546440684 1 0 1 2150 2.38866966626656 0.724628537385071 0.557160709774513
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4823 M471T3880 M471.3T64.7 471.300018310547 471.300018310547 471.300018310547 64.6726318582847 64.6726318582847 64.6726318582847 1 0 1 132 9.67390756328905 1.25889075645137 0.420788584696061
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4824 M471T2969 M471.3T49.5 471.300018310547 471.300018310547 471.300018310547 49.4788356124602 49.4788356124602 49.4788356124602 1 0 1 3268 3.45152526459049 1.4453681564785 0.29592765466149
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4825 M471T2628 M471.3T43.8 471.300018310547 471.300018310547 471.300018310547 43.8070323012985 43.8070323012985 43.8070323012985 1 1 0 2662 2.3301148151599 -0.524569123320564 0.672694407252458
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4826 M471T3119 M471.3T52 471.300018310547 471.300018310547 471.300018310547 51.9795378221015 51.9795378221015 51.9795378221015 1 0 1 5040 1.81833887632018 0.394346694777735 0.740683084359766
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4827 M471T3782 M471.3T63 471.300018310547 471.300018310547 471.300018310547 63.0288128162637 63.0288128162637 63.0288128162637 1 0 1 [89][M+1]- 88 26.0058909241704 1.05668989544315 0.481962660960553
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4828 M471T3430 M471.4T57.2 471.399993896484 471.399993896484 471.399993896484 57.168212677188 57.168212677188 57.168212677188 1 1 0 5269 2.50769629459397 -0.558461933593218 0.656852954614839
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4829 M471T3707 M471.4T61.8 471.399993896484 471.399993896484 471.399993896484 61.7762824071347 61.7762824071347 61.7762824071347 1 0 1 [M+Cl]- 436.437 [M-H-C5H4]- 536.433 [M-H-C2F4]- 572.406 17 Inf 9.71459701533162 0.0653022842879607
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4830 M471T3981 M471.4T66.4 471.399993896484 471.399993896484 471.399993896484 66.357026989459 66.357026989459 66.357026989459 1 1 0 5542 7.80529325374628 -0.864813067435434 0.542333887305052
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4831 M471T2958 M471.4T49.3 471.399993896484 471.399993896484 471.399993896484 49.2947707736621 49.2947707736621 49.2947707736621 1 0 1 3269 Inf 2.31955698770855 0.259129844625357
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diff changeset
4832 M472T2978 M471.5T49.6 471.5 471.5 471.5 49.6376687025959 49.6376687025959 49.6376687025959 1 1 0 5284 2.66159161402851 -0.584398726834289 0.645236659133447
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4833 M472T3541 M471.6T59 471.600006103516 471.600006103516 471.600006103516 59.012448171988 59.012448171988 59.012448171988 1 0 1 1931 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4834 M472T2919 M471.6T48.6 471.600006103516 471.600006103516 471.600006103516 48.6455888101118 48.6455888101118 48.6455888101118 1 0 1 2775 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4835 M472T2930 M471.9T48.8 471.899993896484 471.899993896484 471.899993896484 48.8260290949762 48.8260290949762 48.8260290949762 1 0 1 3620 1.05339444879981 0.0383630374770667 0.972894290030367
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4836 M472T2584 M471.9T43.1 471.899993896484 471.899993896484 471.899993896484 43.0678995766058 43.0678995766058 43.0678995766058 1 1 0 5745 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4837 M472T3962 M471.9T66 471.899993896484 471.899993896484 471.899993896484 66.0392702688823 66.0392702688823 66.0392702688823 1 1 0 6134 19.3940336607615 -1.62814904616209 0.347822048921534
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4838 M472T3709 M472T61.8 472 472 472 61.8202089154605 61.8202089154605 61.8202089154605 1 1 0 1187 Inf -1.68271258696364 0.34135675219524
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4839 M472T2724 M472T45.4 472 472 472 45.3990336112615 45.3990336112615 45.3990336112615 1 1 0 2508 3.65461991098405 -0.911197099190153 0.502548720930174
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4840 M472T2925 M472T48.8 472 472 472 48.7559206276137 48.7559206276137 48.7559206276137 1 0 1 [M+Cl+HCOOH]- 391.025 [M+HCOO]- 427.006 60 4.64577378100431 -1.11938044334243 0.438136483962987
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4841 M472T3528 M472T58.8 472 472 472 58.7938130459194 58.7938130459194 58.7938130459194 1 1 0 354 2.30213769978564 -0.518790748030744 0.675471206171547
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4842 M472T2671 M472T44.5 472 472 472 44.5168831358622 44.5168831358622 44.5168831358622 1 1 0 4051 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4843 M472T3123 M472.1T52 472.100006103516 472.100006103516 472.100006103516 52.0449472980221 52.0449472980221 52.0449472980221 1 1 0 5079 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4844 M472T3780 M472.3T63 472.300018310547 472.300018310547 472.300018310547 63.0023932176446 63.0023932176446 63.0023932176446 1 0 1 [89][M+2]- 88 10.1977010295827 1.25070372330426 0.423633451196776
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4845 M472T3277 M472.4T54.6 472.399993896484 472.399993896484 472.399993896484 54.6093088228788 54.6093088228788 54.6093088228788 1 0 1 1246 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4846 M472T3478 M472.4T58 472.399993896484 472.399993896484 472.399993896484 57.960487848719 57.960487848719 57.960487848719 1 0 1 1802 Inf 1.63511121103232 0.349434315617861
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4847 M472T4343 M472.4T72.4 472.399993896484 472.399993896484 472.399993896484 72.3813900264927 72.3813900264927 72.3813900264927 1 1 0 6108 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4848 M472T2973 M472.4T49.5 472.399993896484 472.399993896484 472.399993896484 49.5499932935581 49.5499932935581 49.5499932935581 1 0 1 3270 2.32504382077725 0.523531211666061 0.673191534842212
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4849 M472T2620 M472.4T43.7 472.399993896484 472.399993896484 472.399993896484 43.6706677695045 43.6706677695045 43.6706677695045 1 0 1 [M-H-C3H6O]- 531.437 2612 Inf 6.51688559397308 0.0969316618101232
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4850 M472T3359 M472.4T56 472.399993896484 472.399993896484 472.399993896484 55.9771730376966 55.9771730376966 55.9771730376966 1 1 0 696 Inf -1.33259761030054 0.409834204260031
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4851 M472T3778 M472.4T63 472.399993896484 472.399993896484 472.399993896484 62.9727843206595 62.9727843206595 62.9727843206595 1 0 1 3677 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4852 M472T2586 M472.4T43.1 472.399993896484 472.399993896484 472.399993896484 43.0939829099392 43.0939829099392 43.0939829099392 1 1 0 61 2.79590117503514 -1.14309926624218 0.374981421326669
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4853 M472T3251 M472.4T54.2 472.399993896484 472.399993896484 472.399993896484 54.1850604055558 54.1850604055558 54.1850604055558 1 0 1 1925 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4854 M472T4213 M472.5T70.2 472.5 472.5 472.5 70.2164614462108 70.2164614462108 70.2164614462108 1 1 0 5330 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4855 M472T2547 M472.5T42.4 472.5 472.5 472.5 42.4443611378167 42.4443611378167 42.4443611378167 1 0 1 5164 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4856 M473T3380 M472.6T56.3 472.600006103516 472.600006103516 472.600006103516 56.3371477405252 56.3371477405252 56.3371477405252 1 1 0 1581 Inf -1.76565387059134 0.328062061887655
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4857 M473T3919 M472.7T65.3 472.700012207031 472.700012207031 472.700012207031 65.3181406233457 65.3181406233457 65.3181406233457 1 0 1 3006 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4858 M473T3626 M473T60.4 473 473 473 60.4324998003135 60.4324998003135 60.4324998003135 1 0 1 1620 1.42949496590823 0.246192361587188 0.830847436479966
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4859 M473T3808 M473T63.5 473 473 473 63.4630495301086 63.4630495301086 63.4630495301086 1 1 0 90 143.170674611945 -0.998112348126603 0.500598356753521
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4860 M473T3153 M473.1T52.6 473.100006103516 473.100006103516 473.100006103516 52.5571924127999 52.5571924127999 52.5571924127999 1 0 1 3056 1.24674620539692 -0.260775911627622 0.837528000797403
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4861 M473T3937 M473.2T65.6 473.200012207031 473.200012207031 473.200012207031 65.6183440373909 65.6183440373909 65.6183440373909 1 1 0 4127 3.66318273923677 -1.32688969787547 0.342902403147748
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4862 M473T3275 M473.2T54.6 473.200012207031 473.200012207031 473.200012207031 54.5854122290371 54.5854122290371 54.5854122290371 1 1 0 5025 1.21289163050406 -0.268710842677735 0.832543379083375
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4863 M473T2551 M473.2T42.5 473.200012207031 473.200012207031 473.200012207031 42.5107014146668 42.5107014146668 42.5107014146668 1 0 1 153 2.14790673094065 0.532069431385056 0.687462581876935
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4864 M473T3664 M473.3T61.1 473.300018310547 473.300018310547 473.300018310547 61.0616722596106 61.0616722596106 61.0616722596106 1 0 1 2 12.9290951868396 0.991156980701024 0.501017971716581
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4865 M473T3471 M473.3T57.9 473.300018310547 473.300018310547 473.300018310547 57.8578729316147 57.8578729316147 57.8578729316147 1 1 0 1803 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4866 M473T2580 M473.3T43 473.300018310547 473.300018310547 473.300018310547 42.9945381126804 42.9945381126804 42.9945381126804 1 1 0 5688 Inf -2.00941492938802 0.293972988167227
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4867 M473T3024 M473.3T50.4 473.300018310547 473.300018310547 473.300018310547 50.403355412142 50.403355412142 50.403355412142 1 0 1 2151 Inf 2.18107817102175 0.273676971676486
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4868 M473T3288 M473.4T54.8 473.399993896484 473.399993896484 473.399993896484 54.7925197533959 54.7925197533959 54.7925197533959 1 0 1 2097 14.5776079212831 0.929217879205537 0.522184536976909
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4869 M473T3419 M473.4T57 473.399993896484 473.399993896484 473.399993896484 56.9837369964744 56.9837369964744 56.9837369964744 1 1 0 879 2.7103456306052 -0.592032275303757 0.641899712866876
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4870 M473T4036 M473.4T67.3 473.399993896484 473.399993896484 473.399993896484 67.2628992588456 67.2628992588456 67.2628992588456 1 0 1 3771 13.1838619214827 0.921502666311769 0.524584304896338
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4871 M474T3294_1 M473.8T54.9_1 473.800018310547 473.800018310547 473.800018310547 54.8957572518083 54.8957572518083 54.8957572518083 1 0 1 5982 6.77329048967952 0.843220886273848 0.549210184502352
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4872 M474T4152 M473.9T69.2 473.899993896484 473.899993896484 473.899993896484 69.1952501879119 69.1952501879119 69.1952501879119 1 0 1 6044 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4873 M474T3294_2 M473.9T54.9_2 473.899993896484 473.899993896484 473.899993896484 54.9076414690325 54.9076414690325 54.9076414690325 1 1 0 5983 Inf -1.51152117521202 0.372089227477539
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4874 M474T2855 M473.9T47.6 473.899993896484 473.899993896484 473.899993896484 47.5751577083133 47.5751577083133 47.5751577083133 1 0 1 4265 1.38266353781556 -0.224253592686755 0.845170099944191
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4875 M474T3275 M473.9T54.6 473.899993896484 473.899993896484 473.899993896484 54.5854122290371 54.5854122290371 54.5854122290371 1 1 0 5022 5.48190462846363 -0.804308889359822 0.561873549559894
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4876 M474T3496 M474T58.3 474 474 474 58.2713130322852 58.2713130322852 58.2713130322852 1 1 0 3508 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4877 M474T3046 M474T50.8 474 474 474 50.7651973010075 50.7651973010075 50.7651973010075 1 0 1 4953 Inf 2.98397047380212 0.20585816615844
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4878 M474T3813 M474T63.5 474 474 474 63.5434136843954 63.5434136843954 63.5434136843954 1 1 0 46 267.134552387384 -1.00979317246292 0.496897526726103
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4879 M474T3143 M474T52.4 474 474 474 52.3838223805212 52.3838223805212 52.3838223805212 1 1 0 67 2.37372563871116 -0.816974912838188 0.563886643916248
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4880 M474T4174 M474T69.6 474 474 474 69.5665514270307 69.5665514270307 69.5665514270307 1 1 0 115 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4881 M474T3072 M474.1T51.2 474.100006103516 474.100006103516 474.100006103516 51.2042807839401 51.1345603230162 51.2062793494461 3 1 2 [M-2H+Na]- 453.112 48 1.12877814883978 1.64546436376453 0.316813690182776
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4882 M474T4132 M474.1T68.9 474.100006103516 474.100006103516 474.100006103516 68.8626658273727 68.8075175566691 68.9178140980764 2 0 2 1501 6.96427625470961 3.12778872115819 0.11160288246738
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4883 M474T3684 M474.1T61.4 474.100006103516 474.100006103516 474.100006103516 61.4011145245495 61.4011145245495 61.4011145245495 1 0 1 604 1.415018428622 0.330638410533601 0.774340157479694
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4884 M474T3301 M474.2T55 474.200012207031 474.200012207031 474.200012207031 55.0245827748677 55.0245827748677 55.0245827748677 1 0 1 5389 2.00245563836299 0.821968528248193 0.506201173644832
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4885 M474T3112 M474.2T51.9 474.200012207031 474.200012207031 474.200012207031 51.8594527742793 51.8594527742793 51.8594527742793 1 0 1 5355 1.21117905311891 -0.206356363269356 0.868163680391839
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4886 M474T3894 M474.2T64.9 474.200012207031 474.200012207031 474.200012207031 64.9020495317245 64.9020495317245 64.9020495317245 1 1 0 4906 4.47934583380639 -2.9070403050617 0.119043409548078
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4887 M474T2553 M474.2T42.5 474.200012207031 474.200012207031 474.200012207031 42.5486944711501 42.5486944711501 42.5486944711501 1 0 1 3080 Inf 3.04294473257984 0.202133608850951
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4888 M474T2939 M474.2T49 474.200012207031 474.200012207031 474.200012207031 48.9871652682791 48.9871652682791 48.9871652682791 1 1 0 57 10.0041189736317 -1.00487094614371 0.498419434506086
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4889 M474T3712 M474.3T61.9 474.300018310547 474.300018310547 474.300018310547 61.870109312818 61.870109312818 61.870109312818 1 0 1 1188 1.26992131914676 0.221018815610411 0.847669415446634
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4890 M474T3976 M474.3T66.3 474.300018310547 474.300018310547 474.300018310547 66.2671959497008 66.2671959497008 66.2671959497008 1 0 1 2050 1.83350280212591 0.829774891305936 0.557062119504478
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lecorguille
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4891 M474T3539 M474.3T59 474.300018310547 474.300018310547 474.300018310547 58.9799116992564 58.9799116992564 58.9799116992564 1 1 0 1933 12.3870388641677 -1.74911965603562 0.321954517549779
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4892 M474T2995 M474.3T49.9 474.300018310547 474.300018310547 474.300018310547 49.9245463702824 49.9245463702824 49.9245463702824 1 1 0 1841 Inf -1.23119062130859 0.434269556836773
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4893 M474T3197 M474.3T53.3 474.300018310547 474.300018310547 474.300018310547 53.2757172358295 53.2757172358295 53.2757172358295 1 1 0 1759 3.84979769272787 -1.1214804946446 0.422449703418648
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4894 M474T4008 M474.3T66.8 474.300018310547 474.300018310547 474.300018310547 66.7943614501429 66.7943614501429 66.7943614501429 1 1 0 5227 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4895 M474T2852 M474.3T47.5 474.300018310547 474.300018310547 474.300018310547 47.5251479685 47.5251479685 47.5251479685 1 0 1 6071 Inf 11.9940791702479 0.0529553601547434
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4896 M474T3707 M474.4T61.8 474.399993896484 474.399993896484 474.399993896484 61.783981078161 61.7394357187606 61.8285264375613 2 0 2 [M-H-C2H4O]- 519.429 [M-H-CONH2]- 519.429 17 4.82525021179723 2.73692363125579 0.111660410774838
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4897 M474T3768 M474.4T62.8 474.399993896484 474.399993896484 474.399993896484 62.8044200828078 62.8044200828078 62.8044200828078 1 1 0 1001 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
4898 M474T3172 M474.4T52.9 474.399993896484 474.399993896484 474.399993896484 52.8716986018717 52.8716986018717 52.8716986018717 1 1 0 783 11.0166026890475 -0.905505080595937 0.529565608080196
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4899 M474T3564 M474.4T59.4 474.399993896484 474.399993896484 474.399993896484 59.3949190122503 59.3949190122503 59.3949190122503 1 0 1 1677 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4900 M474T4042 M474.4T67.4 474.399993896484 474.399993896484 474.399993896484 67.3679743295609 67.3679743295609 67.3679743295609 1 0 1 5310 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4901 M474T3531 M474.4T58.8 474.399993896484 474.399993896484 474.399993896484 58.8468372471634 58.8468372471634 58.8468372471634 1 1 0 1969 9.80427055157742 -0.897383238715194 0.53406426398301
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4902 M474T3995 M474.4T66.6 474.399993896484 474.399993896484 474.399993896484 66.580364949808 66.580364949808 66.580364949808 1 0 1 5442 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4903 M474T3740 M474.5T62.3 474.5 474.5 474.5 62.3358017847853 62.3358017847853 62.3358017847853 1 1 0 4716 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4904 M475T3915 M474.8T65.2 474.800018310547 474.800018310547 474.800018310547 65.2453628198148 65.2453628198148 65.2453628198148 1 1 0 5144 Inf -1 0.5
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lecorguille
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4905 M475T4168 M474.9T69.5 474.899993896484 474.899993896484 474.899993896484 69.4618250318358 69.4618250318358 69.4618250318358 1 1 0 5929 Inf -1 0.5
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lecorguille
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4906 M475T3739 M475T62.3 475 475 475 62.3233894012569 62.3233894012569 62.3233894012569 1 0 1 4717 11.078113596832 0.906048026046483 0.529396341164932
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lecorguille
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4907 M475T3814 M475T63.6 475 475 475 63.570206330049 63.570206330049 63.570206330049 1 1 0 46 94.3190941454217 -1.01330440110526 0.495761558835791
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lecorguille
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4908 M475T3741 M475.1T62.3 475.100006103516 475.100006103516 475.100006103516 62.3458634953877 62.3458634953877 62.3458634953877 1 1 0 [M-2H+Na]- 454.114 14 4.81284395919254 -1.11987441763777 0.454643747075773
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4909 M475T3728 M475.1T62.1 475.100006103516 475.100006103516 475.100006103516 62.1287888582799 62.1287888582799 62.1287888582799 1 1 0 [M-H]- 476.112 84 6.12772285685317 -1.64780349264132 0.344137382826364
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4910 M475T4113 M475.1T68.5 475.100006103516 475.100006103516 475.100006103516 68.5499587263388 68.5499587263388 68.5499587263388 1 0 1 2311 11.3084358935812 1.50227888102142 0.366558763923651
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4911 M475T3882 M475.1T64.7 475.100006103516 475.100006103516 475.100006103516 64.6988004790129 64.6988004790129 64.6988004790129 1 0 1 [M+Cl]- 440.125 41 1.08739440529499 0.0715276498507931 0.949625970501599
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4912 M475T3172 M475.1T52.9 475.100006103516 475.100006103516 475.100006103516 52.8693499623457 52.8693499623457 52.8693499623457 1 0 1 744 10.5107697488838 0.969100697119578 0.507323345952488
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4913 M475T4161 M475.1T69.4 475.100006103516 475.100006103516 475.100006103516 69.3570460897446 69.3570460897446 69.3570460897446 1 1 0 6036 1.07130975220914 0.0663677719889534 0.955793486730764
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4914 M475T3497 M475.2T58.3 475.200012207031 475.200012207031 475.200012207031 58.2751090000565 58.2751090000565 58.2751090000565 1 0 1 82 1.34038844806216 0.226652212094653 0.843232445981852
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4915 M475T3731 M475.2T62.2 475.200012207031 475.200012207031 475.200012207031 62.1884253528936 62.1884253528936 62.1884253528936 1 1 0 84 22.9017455670193 -1.31520233116035 0.413754491899703
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4916 M475T3888 M475.3T64.8 475.300018310547 475.300018310547 475.300018310547 64.7924893241017 64.7924893241017 64.7924893241017 1 0 1 2248 2.70265448553827 0.590845500702804 0.642416087940093
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4917 M475T2925 M475.3T48.8 475.300018310547 475.300018310547 475.300018310547 48.7559206276137 48.7559206276137 48.7559206276137 1 0 1 2874 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4918 M475T3046 M475.3T50.8 475.300018310547 475.300018310547 475.300018310547 50.7651973010075 50.7651973010075 50.7651973010075 1 0 1 4954 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4919 M476T3913 M476T65.2 476 476 476 65.2130043167137 65.2130043167137 65.2130043167137 1 0 1 4842 5.12762167540712 0.790092961127095 0.566608003689738
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4920 M476T3038 M476T50.6 476 476 476 50.6358552925949 50.6358552925949 50.6358552925949 1 0 1 3226 1.0937490078896 -0.063258974266161 0.955354493052885
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4921 M476T3310 M476T55.2 476 476 476 55.1710807974486 55.1710807974486 55.1710807974486 1 1 0 503 Inf -1 0.5
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lecorguille
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4922 M476T3738 M476T62.3 476 476 476 62.2973922113854 62.2973922113854 62.2973922113854 1 0 1 4718 Inf 1.1667760097421 0.451096015781379
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4923 M476T2726 M476T45.4 476 476 476 45.4414202016962 45.4414202016962 45.4414202016962 1 0 1 2509 2.78553466891231 0.60330369004936 0.637039374341676
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4924 M476T3284 M476.1T54.7 476.100006103516 476.100006103516 476.100006103516 54.7402631781884 54.6706491402637 54.7491004949484 3 1 2 1226 1.02874275623354 0.0805432178339886 0.946597427083151
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4925 M476T4177 M476.1T69.6 476.100006103516 476.100006103516 476.100006103516 69.6164962810316 69.6164962810316 69.6164962810316 1 1 0 4371 3.75149048009646 -2.30130758616795 0.167806862735424
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4926 M476T3297 M476.2T54.9 476.200012207031 476.200012207031 476.200012207031 54.947299031165 54.947299031165 54.947299031165 1 0 1 52 2.16996391081986 1.10637938347691 0.439126562164728
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4927 M476T2684 M476.2T44.7 476.200012207031 476.200012207031 476.200012207031 44.7402216334792 44.7402216334792 44.7402216334792 1 0 1 [M+Cl]- 441.237 [M-H]- 477.206 6 1.1485184901767 0.104755273495911 0.926183626244081
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4928 M476T3257 M476.2T54.3 476.200012207031 476.200012207031 476.200012207031 54.2775590369617 54.2775590369617 54.2775590369617 1 0 1 34 1.35976480096939 0.280717903103336 0.810436367951789
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4929 M476T2703 M476.2T45.1 476.200012207031 476.200012207031 476.200012207031 45.0567071767583 45.0567071767583 45.0567071767583 1 0 1 4857 1.36649621333259 0.231494102154015 0.839733478412412
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4930 M476T2742 M476.2T45.7 476.200012207031 476.200012207031 476.200012207031 45.7053614527651 45.7053614527651 45.7053614527651 1 0 1 4617 1.24071445584535 0.158747830532865 0.888850115479473
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4931 M476T4097 M476.4T68.3 476.399993896484 476.399993896484 476.399993896484 68.2849514101417 68.2849514101417 68.2849514101417 1 1 0 5113 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4932 M476T4037 M476.4T67.3 476.399993896484 476.399993896484 476.399993896484 67.2818438258993 67.2818438258993 67.2818438258993 1 0 1 3772 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4933 M477T3858 M477T64.3 477 477 477 64.2931743010309 64.2931743010309 64.2931743010309 1 0 1 1398 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4934 M477T2886 M477T48.1 477 477 477 48.099298168901 48.099298168901 48.099298168901 1 0 1 5657 1.71648270865728 0.397386089727578 0.734403637811456
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4935 M477T3805 M477T63.4 477 477 477 63.4249379121707 63.4249379121707 63.4249379121707 1 0 1 4184 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4936 M477T3288 M477.1T54.8 477.100006103516 477.100006103516 477.100006103516 54.7925197533959 54.7925197533959 54.7925197533959 1 0 1 2099 1.15052317441271 0.351347412298967 0.759692287865728
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4937 M477T2545 M477.1T42.4 477.100006103516 477.100006103516 477.100006103516 42.4158329099392 42.4158329099392 42.4158329099392 1 1 0 153 Inf -2.11920205595533 0.280683188259018
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4938 M477T3883 M477.1T64.7 477.100006103516 477.100006103516 477.100006103516 64.7136431075276 64.7136431075276 64.7136431075276 1 0 1 2249 1.01799753155104 -0.0173167121644643 0.988807578306637
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4939 M477T3955 M477.2T65.9 477.200012207031 477.200012207031 477.200012207031 65.9226612758071 65.9226612758071 65.9226612758071 1 0 1 5461 6.56983306182304 2.01288191038767 0.246569014404751
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4940 M477T4194 M477.2T69.9 477.200012207031 477.200012207031 477.200012207031 69.9068203136874 69.9068203136874 69.9068203136874 1 1 0 6167 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4941 M477T2868 M477.3T47.8 477.300018310547 477.300018310547 477.300018310547 47.8044724200327 47.8044724200327 47.8044724200327 1 1 0 3651 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4942 M477T3516 M477.3T58.6 477.300018310547 477.300018310547 477.300018310547 58.5944529096442 58.5944529096442 58.5944529096442 1 1 0 413 16.1607913245386 -2.50575844797746 0.230932456151777
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4943 M477T3254 M477.3T54.2 477.300018310547 477.300018310547 477.300018310547 54.2252384151604 54.2252384151604 54.2252384151604 1 0 1 34 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4944 M478T2652 M477.5T44.2 477.5 477.5 477.5 44.1998819071603 44.1998819071603 44.1998819071603 1 0 1 5846 Inf 1 0.5
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4945 M478T3998 M477.5T66.6 477.5 477.5 477.5 66.6373581843898 66.6373581843898 66.6373581843898 1 1 0 284 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4946 M478T2990 M477.9T49.8 477.899993896484 477.899993896484 477.899993896484 49.8348004840383 49.8348004840383 49.8348004840383 1 0 1 4631 1.00006692341982 -5.72076936917484e-05 0.999960500856303
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4947 M478T2654 M478T44.2 478 478 478 44.2387925228872 44.2387925228872 44.2387925228872 1 0 1 5841 1.63496263292656 0.372321805990081 0.748446026085602
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4948 M478T3706 M478.1T61.8 478.100006103516 478.100006103516 478.100006103516 61.7690431357558 61.7690431357558 61.7690431357558 1 1 0 17 Inf -1 0.5
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4949 M478T4205 M478.1T70.1 478.100006103516 478.100006103516 478.100006103516 70.0751651438567 70.0751651438567 70.0751651438567 1 0 1 4935 9.87574011022418 0.894169394626375 0.533104498234215
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4950 M478T3981 M478.1T66.4 478.100006103516 478.100006103516 478.100006103516 66.357026989459 66.357026989459 66.357026989459 1 1 0 5543 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4951 M478T3629 M478.2T60.5 478.200012207031 478.200012207031 478.200012207031 60.4907755699073 60.4663663640059 60.5075637611423 4 2 2 [90][M]- [M-H]- 479.208 26 1.09180616904434 0.197800457147195 0.874832182613315
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4952 M478T3742 M478.2T62.4 478.200012207031 478.200012207031 478.200012207031 62.3721746432928 62.3721746432928 62.3721746432928 1 1 0 14 5.28831951111247 -1.44229966352962 0.385812877929069
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4953 M478T3081 M478.3T51.3 478.300018310547 478.300018310547 478.300018310547 51.3439002353107 51.3439002353107 51.3439002353107 1 1 0 3527 Inf -13.9496981174684 0.0455588793496058
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4954 M478T3677 M478.3T61.3 478.300018310547 478.300018310547 478.300018310547 61.2886498298521 61.2886498298521 61.2886498298521 1 1 0 3704 3.35146353754898 -1.63680774975864 0.331159431551192
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4955 M478T2821 M478.3T47 478.300018310547 478.300018310547 478.300018310547 47.0246753525252 47.0246753525252 47.0246753525252 1 0 1 3324 Inf 1.72008912328108 0.335247000738861
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4956 M478T2947 M478.3T49.1 478.300018310547 478.300018310547 478.300018310547 49.1170000815801 49.1170000815801 49.1170000815801 1 1 0 [M-H]- 479.307 70 1.21679111453673 -0.17496964759527 0.888201703110769
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4957 M478T3587 M478.3T59.8 478.300018310547 478.300018310547 478.300018310547 59.7834015872563 59.7834015872563 59.7834015872563 1 1 0 1704 6.81822627262035 -0.844301788911865 0.548863742365474
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4958 M478T3366 M478.3T56.1 478.300018310547 478.300018310547 478.300018310547 56.0965892015683 56.0965892015683 56.0965892015683 1 0 1 4662 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4959 M478T3651 M478.3T60.9 478.300018310547 478.300018310547 478.300018310547 60.85510455482 60.85510455482 60.85510455482 1 1 0 24 Inf -1 0.5
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4960 M478T2689 M478.4T44.8 478.399993896484 478.399993896484 478.399993896484 44.8156498104774 44.8156498104774 44.8156498104774 1 0 1 660 7.738647297153 0.863598030545689 0.542718545788832
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4961 M478T3071 M478.4T51.2 478.399993896484 478.399993896484 478.399993896484 51.1899216038492 51.1899216038492 51.1899216038492 1 1 0 2435 Inf -1 0.5
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4962 M478T4192 M478.4T69.9 478.399993896484 478.399993896484 478.399993896484 69.8646547167243 69.8646547167243 69.8646547167243 1 0 1 6168 1.53926381608952 0.293784789485894 0.800562924972909
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4963 M478T3000 M478.4T50 478.399993896484 478.399993896484 478.399993896484 50.0068041107523 50.0068041107523 50.0068041107523 1 0 1 1822 Inf 1.44292601858552 0.385815126416808
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4964 M479T2799 M478.6T46.6 478.600006103516 478.600006103516 478.600006103516 46.6423139337858 46.6423139337858 46.6423139337858 1 0 1 3945 Inf 1 0.5
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4965 M479T3010 M478.9T50.2 478.899993896484 478.899993896484 478.899993896484 50.1650871379422 50.1650871379422 50.1650871379422 1 0 1 2085 Inf 1 0.5
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4966 M479T2986 M478.9T49.8 478.899993896484 478.899993896484 478.899993896484 49.7690927274696 49.7690927274696 49.7690927274696 1 0 1 4632 Inf 1.62745992844696 0.350764784599991
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4967 M479T2785 M478.9T46.4 478.899993896484 478.899993896484 478.899993896484 46.4172129153222 46.4172129153222 46.4172129153222 1 0 1 921 Inf 1.48178000494931 0.377933299641818
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4968 M479T3268 M479T54.5 479 479 479 54.4585141814754 54.4585141814754 54.4585141814754 1 1 0 5474 Inf -1 0.5
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4969 M479T2893 M479.2T48.2 479.200012207031 479.200012207031 479.200012207031 48.2097870775546 48.2097870775546 48.2097870775546 1 1 0 95 1.54080518317951 -0.294417159326276 0.800168300826403
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4970 M479T2877 M479.2T47.9 479.200012207031 479.200012207031 479.200012207031 47.9421757855542 47.9421757855542 47.9421757855542 1 0 1 4738 Inf 1.42246786264732 0.390081728802884
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4971 M479T3630 M479.2T60.5 479.200012207031 479.200012207031 479.200012207031 60.4957699280778 60.4957699280778 60.4957699280778 1 0 1 [90][M+1]- 26 1.02061619094569 -0.0284978730900382 0.981369263752973
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4972 M479T3414 M479.3T56.9 479.300018310547 479.300018310547 479.300018310547 56.9019360311571 56.9019360311571 56.9019360311571 1 0 1 880 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4973 M479T4088 M479.4T68.1 479.399993896484 479.399993896484 479.399993896484 68.128156441337 68.128156441337 68.128156441337 1 1 0 4984 1.76642539196448 -0.766088792668294 0.583647572134954
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4974 M479T3883 M479.4T64.7 479.399993896484 479.399993896484 479.399993896484 64.7098459836957 64.7098459836957 64.7098459836957 1 1 0 2250 5.8484363944845 -0.817154942439401 0.557648354207581
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lecorguille
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4975 M480T4220 M479.9T70.3 479.899993896484 479.899993896484 479.899993896484 70.3382593646226 70.3382593646226 70.3382593646226 1 0 1 5331 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4976 M480T3991 M480T66.5 480 480 480 66.5092149135219 66.4760823060443 66.5423475209995 2 1 1 [M-H-N2O]- 525.005 [M-H-CO2]- 525.005 118 1.46662728883639 -0.262873153151729 0.820105424345822
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4977 M480T3892 M480T64.9 480 480 480 64.8713368401868 64.8713368401868 64.8713368401868 1 0 1 4907 Inf 1 0.5
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4978 M480T3864 M480T64.4 480 480 480 64.3982907460625 64.3982907460625 64.3982907460625 1 0 1 1399 Inf 1 0.5
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4979 M480T4021 M480T67 480 480 480 67.0224624063034 67.0224624063034 67.0224624063034 1 0 1 5580 Inf 1 0.5
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4980 M480T3964 M480T66.1 480 480 480 66.061609161496 66.061609161496 66.061609161496 1 1 0 2051 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4981 M480T4429 M480.1T73.8 480.100006103516 480.100006103516 480.100006103516 73.8159233598261 73.8159233598261 73.8159233598261 1 1 0 6187 1.47158806022435 -0.303932746040299 0.790609562208304
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4982 M480T3312 M480.2T55.2 480.200012207031 480.200012207031 480.200012207031 55.2001461445499 55.0876980085848 55.3026466544419 4 2 2 [M-H-H2]- 483.211 4 1.00433669981725 -0.0168241271470084 0.988326109440114
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4983 M480T3725 M480.2T62.1 480.200012207031 480.200012207031 480.200012207031 62.0771837985113 62.0771837985113 62.0771837985113 1 1 0 4680 1.94596818669321 -2.71377156599658 0.114442261446106
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4984 M480T3641 M480.2T60.7 480.200012207031 480.200012207031 480.200012207031 60.6860919996338 60.6860919996338 60.6860919996338 1 1 0 [M-H-C2H4O]- 525.229 [M-H-CONH2]- 525.229 59 1.59260569264431 -1.15071821850305 0.388236248074996
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4985 M480T2919 M480.2T48.7 480.200012207031 480.200012207031 480.200012207031 48.650806428958 48.650806428958 48.650806428958 1 1 0 2760 1.10111781035345 0.0954448893096546 0.932663786602633
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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4986 M480T2831 M480.3T47.2 480.300018310547 480.300018310547 480.300018310547 47.1809374195208 47.1809374195208 47.1809374195208 1 0 1 4583 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4987 M480T2843 M480.3T47.4 480.300018310547 480.300018310547 480.300018310547 47.3885031695238 47.3885031695238 47.3885031695238 1 1 0 5527 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4988 M480T4309 M480.3T71.8 480.300018310547 480.300018310547 480.300018310547 71.8128703793839 71.8128703793839 71.8128703793839 1 1 0 333 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4989 M480T3929 M480.3T65.5 480.300018310547 480.300018310547 480.300018310547 65.4758462948094 65.4758462948094 65.4758462948094 1 0 1 3007 Inf 1 0.5
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4990 M480T3873 M480.3T64.6 480.300018310547 480.300018310547 480.300018310547 64.555955116446 64.555955116446 64.555955116446 1 0 1 2749 Inf 1 0.5
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4991 M480T3808 M480.3T63.5 480.300018310547 480.300018310547 480.300018310547 63.4586412146712 63.4586412146712 63.4586412146712 1 1 0 3713 Inf -1 0.5
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4992 M480T4285 M480.4T71.4 480.399993896484 480.399993896484 480.399993896484 71.4234790738671 71.4234790738671 71.4234790738671 1 0 1 6125 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4993 M480T4188 M480.4T69.8 480.399993896484 480.399993896484 480.399993896484 69.7991030867437 69.7991030867437 69.7991030867437 1 1 0 6065 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4994 M481T2683 M480.9T44.7 480.899993896484 480.899993896484 480.899993896484 44.7106744420217 44.70757669099 44.7137721930535 2 1 1 661 1.87118267629095 -0.410619022122527 0.731575264268718
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4995 M481T3171 M480.9T52.8 480.899993896484 480.899993896484 480.899993896484 52.8461856331342 52.8461856331342 52.8461856331342 1 1 0 784 Inf -1 0.5
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4996 M481T2958 M480.9T49.3 480.899993896484 480.899993896484 480.899993896484 49.2918295342363 49.2918295342363 49.2918295342363 1 0 1 3271 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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4997 M481T2891 M481T48.2 481 481 481 48.1833795870331 48.1833795870331 48.1833795870331 1 1 0 [M-H]- 482.005 95 5.45422237314446 -1.05370426401177 0.468288057625966
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4998 M481T3309 M481.1T55.1 481.100006103516 481.100006103516 481.100006103516 55.1430121663691 55.1430121663691 55.1430121663691 1 0 1 4 1.00754406299854 -0.0153058904147494 0.989944054793129
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4999 M481T3321 M481.2T55.4 481.200012207031 481.200012207031 481.200012207031 55.3505595148053 55.3505595148053 55.3505595148053 1 1 0 16 1.23429244434198 0.525543765279113 0.653066155414114
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5000 M481T3298 M481.2T55 481.200012207031 481.200012207031 481.200012207031 54.9593826467294 54.9593826467294 54.9593826467294 1 0 1 2594 1.61057682363173 0.520906084845723 0.659415083469069
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5001 M481T2867 M481.2T47.8 481.200012207031 481.200012207031 481.200012207031 47.790019876987 47.790019876987 47.790019876987 1 1 0 [M-H]- 482.206 [M-H-CH3]- 497.231 87 1.0507220896559 0.0695032374547963 0.955812912572608
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5002 M481T3001 M481.3T50 481.300018310547 481.300018310547 481.300018310547 50.0160518303078 50.0160518303078 50.0160518303078 1 0 1 1842 Inf 1 0.5
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5003 M481T2801 M481.3T46.7 481.300018310547 481.300018310547 481.300018310547 46.6843596591052 46.6843596591052 46.6843596591052 1 0 1 [M-H-NaOH]- 522.305 5176 Inf 1 0.5
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5004 M481T2730 M481.3T45.5 481.300018310547 481.300018310547 481.300018310547 45.4990851917742 45.4990851917742 45.4990851917742 1 0 1 2457 4.06003604722089 0.91775822532731 0.506157247345808
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5005 M481T4425 M481.4T73.7 481.399993896484 481.399993896484 481.399993896484 73.7448290738671 73.7448290738671 73.7448290738671 1 0 1 6213 Inf 1 0.5
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5006 M482T2710 M481.9T45.2 481.899993896484 481.899993896484 481.899993896484 45.1672414316353 45.1672414316353 45.1672414316353 1 1 0 [M+Cl]- 446.935 225 Inf -1 0.5
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5007 M482T3140 M482T52.3 482 482 482 52.3340719252215 52.3340719252215 52.3340719252215 1 0 1 3121 Inf 1 0.5
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5008 M482T4249 M482T70.8 482 482 482 70.8235957405337 70.8235957405337 70.8235957405337 1 0 1 315 Inf 1 0.5
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5009 M482T3103 M482T51.7 482 482 482 51.7154087327806 51.7154087327806 51.7154087327806 1 0 1 3143 1.07138646569777 0.0661303244099322 0.957719560585167
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5010 M482T4005 M482T66.7 482 482 482 66.7420284205886 66.7420284205886 66.7420284205886 1 1 0 5819 Inf -1 0.5
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5011 M482T3324 M482.1T55.4 482.100006103516 482.100006103516 482.100006103516 55.4077270931757 55.4077270931757 55.4077270931757 1 1 0 1115 2.01866013209807 -0.948554254697823 0.490848368235311
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5012 M482T3546 M482.2T59.1 482.200012207031 482.200012207031 482.200012207031 59.0987030532248 59.041466821452 59.1671545128572 4 2 2 [91][M]- 44 1.01695671476037 -0.148898957692015 0.903562650923213
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5013 M482T3600 M482.2T60 482.200012207031 482.200012207031 482.200012207031 59.9964839283455 59.8611779602496 60.019846142546 4 2 2 [92][M]- [M-H-NCO]- 525.207 22 1.1626263441469 -0.708869113786813 0.571947282500591
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5014 M482T3312 M482.2T55.2 482.200012207031 482.200012207031 482.200012207031 55.1974320877231 55.1692582034151 55.3334338236129 3 1 2 [M-H]- 483.211 4 1.07105003635071 0.845604850536561 0.544421133465005
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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diff changeset
5015 M482T4422 M482.2T73.7 482.200012207031 482.200012207031 482.200012207031 73.6926624072004 73.6926624072004 73.6926624072004 1 0 1 6197 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5016 M482T3073 M482.3T51.2 482.300018310547 482.300018310547 482.300018310547 51.2135936215813 51.2135936215813 51.2135936215813 1 0 1 2436 4.40171964047652 0.753612791855354 0.579079962075375
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5017 M482T3709 M482.3T61.8 482.300018310547 482.300018310547 482.300018310547 61.8202089154605 61.8202089154605 61.8202089154605 1 1 0 1189 2.38714699809633 -0.535962806284213 0.667284304230159
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5018 M482T3825 M482.3T63.8 482.300018310547 482.300018310547 482.300018310547 63.7577616058 63.7577616058 63.7577616058 1 1 0 1889 24.7432605705696 -0.958802231833846 0.512971070024264
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5019 M482T3922 M482.3T65.4 482.300018310547 482.300018310547 482.300018310547 65.3707090592266 65.3707090592266 65.3707090592266 1 0 1 2965 2.20519538296215 2.37863514785962 0.164883262620606
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5020 M482T3886 M482.4T64.8 482.399993896484 482.399993896484 482.399993896484 64.770179874019 64.770179874019 64.770179874019 1 1 0 2251 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5021 M482T3812 M482.4T63.5 482.399993896484 482.399993896484 482.399993896484 63.5304605930993 63.5304605930993 63.5304605930993 1 0 1 2393 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5022 M482T2747 M482.5T45.8 482.5 482.5 482.5 45.7754586791105 45.7754586791105 45.7754586791105 1 0 1 4360 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5023 M483T2913 M482.9T48.5 482.899993896484 482.899993896484 482.899993896484 48.5481814919484 48.5481814919484 48.5481814919484 1 1 0 [M-H-CH2O]- 513.926 56 7.68111450549653 -0.862531623595237 0.543056356540797
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5024 M483T3119 M483T52 483 483 483 51.9908895013549 51.9908895013549 51.9908895013549 1 0 1 146 3.69810871079471 0.704296408257147 0.596814151334501
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5025 M483T3515 M483T58.6 483 483 483 58.5831744152706 58.5831744152706 58.5831744152706 1 1 0 414 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5026 M483T3905 M483.1T65.1 483.100006103516 483.100006103516 483.100006103516 65.0868263882135 65.0868263882135 65.0868263882135 1 1 0 4843 1.912732398129 0.660444303986364 0.576994859012301
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5027 M483T3476 M483.1T57.9 483.100006103516 483.100006103516 483.100006103516 57.9350088102802 57.9350088102802 57.9350088102802 1 0 1 1768 Inf 2.96467101632563 0.207105961009395
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5028 M483T3629 M483.1T60.5 483.100006103516 483.100006103516 483.100006103516 60.4822405703266 60.4822405703266 60.4822405703266 1 1 0 1621 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5029 M483T4111 M483.1T68.5 483.100006103516 483.100006103516 483.100006103516 68.5174902467128 68.5174902467128 68.5174902467128 1 1 0 43 1.05685660124643 0.042047158430747 0.970321954946148
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5030 M483T3542 M483.1T59 483.100006103516 483.100006103516 483.100006103516 59.0333172991383 59.0333172991383 59.0333172991383 1 1 0 [93][M]- 2353 3.37899075429092 -0.737574914567703 0.594151059351033
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5031 M483T3595 M483.2T59.9 483.200012207031 483.200012207031 483.200012207031 59.9158966789553 59.8611779602496 60.0250227532796 5 2 2 [92][M+1]- 22 1.21086031111138 -0.944493965350315 0.513627865382752
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5032 M483T3544 M483.2T59.1 483.200012207031 483.200012207031 483.200012207031 59.067885243782 59.067885243782 59.067885243782 1 1 0 [91][M+1]- 44 1.04794496827274 0.137961252034191 0.909561760640436
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5033 M483T3742 M483.3T62.4 483.300018310547 483.300018310547 483.300018310547 62.3604659627537 62.319572107393 62.4013598181144 2 1 1 [M-H-C2H4O]- 528.331 [M-H-CONH2]- 528.331 14 3.46799540914817 -0.725938797789948 0.584658603304419
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5034 M483T3237 M483.3T53.9 483.300018310547 483.300018310547 483.300018310547 53.9471157877299 53.9471157877299 53.9471157877299 1 0 1 2721 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5035 M483T2906 M483.3T48.4 483.300018310547 483.300018310547 483.300018310547 48.4306212242677 48.4306212242677 48.4306212242677 1 1 0 3931 3.76101486057489 -0.709464660939293 0.594903027195986
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5036 M483T3270 M483.3T54.5 483.300018310547 483.300018310547 483.300018310547 54.5055875067571 54.5055875067571 54.5055875067571 1 1 0 5475 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5037 M483T3636 M483.3T60.6 483.300018310547 483.300018310547 483.300018310547 60.5972091578664 60.5972091578664 60.5972091578664 1 0 1 2854 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5038 M483T3834 M483.4T63.9 483.399993896484 483.399993896484 483.399993896484 63.8990412517743 63.8990412517743 63.8990412517743 1 0 1 3340 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5039 M483T2787 M483.4T46.4 483.399993896484 483.399993896484 483.399993896484 46.4420455259627 46.4420455259627 46.4420455259627 1 0 1 922 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5040 M484T2611 M483.5T43.5 483.5 483.5 483.5 43.5161881126804 43.5161881126804 43.5161881126804 1 1 0 4025 4.41647058823504 -0.754476208900922 0.578778901314113
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5041 M484T2687 M483.8T44.8 483.800018310547 483.800018310547 483.800018310547 44.7884791958349 44.7884791958349 44.7884791958349 1 0 1 662 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5042 M484T2742 M483.9T45.7 483.899993896484 483.899993896484 483.899993896484 45.7025974561078 45.6998334594505 45.7053614527651 2 0 2 4603 Inf 2.4867881107585 0.243403322445362
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5043 M484T2674 M483.9T44.6 483.899993896484 483.899993896484 483.899993896484 44.5730945661027 44.5730945661027 44.5730945661027 1 0 1 663 6.08910111902865 1.21841900609369 0.420341010336639
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5044 M484T2779 M483.9T46.3 483.899993896484 483.899993896484 483.899993896484 46.3249236766347 46.3249236766347 46.3249236766347 1 1 0 4276 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5045 M484T2942 M483.9T49 483.899993896484 483.899993896484 483.899993896484 49.0356376807688 49.0356376807688 49.0356376807688 1 0 1 2791 1.60532561688117 -0.374982080900605 0.770537940691141
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5046 M484T2546 M483.9T42.4 483.899993896484 483.899993896484 483.899993896484 42.4324514146668 42.4324514146668 42.4324514146668 1 0 1 5165 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5047 M484T3536 M484T58.9 484 484 484 58.9266008987241 58.9266008987241 58.9266008987241 1 1 0 1930 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5048 M484T3010 M484T50.2 484 484 484 50.1626742318839 50.1626742318839 50.1626742318839 1 1 0 2086 Inf -2.02070434961795 0.292552742998376
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5049 M484T4206 M484T70.1 484 484 484 70.0978291949187 70.0978291949187 70.0978291949187 1 0 1 4936 9.38401995804508 1.64802936401318 0.333412058310277
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5050 M484T2811 M484T46.8 484 484 484 46.8443193592914 46.8443193592914 46.8443193592914 1 0 1 3321 1.34549715388317 0.701413596282024 0.604574125815171
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5051 M484T4182 M484T69.7 484 484 484 69.6974427116147 69.6974427116147 69.6974427116147 1 1 0 6013 Inf -1.48944275900475 0.376412186092898
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5052 M484T3812 M484T63.5 484 484 484 63.5371921982908 63.5371921982908 63.5371921982908 1 1 0 2394 1.56378590688892 -0.30373352422591 0.794379369944556
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5053 M484T3726 M484T62.1 484 484 484 62.1029782006783 62.1029782006783 62.1029782006783 1 1 0 4681 8.96215999621414 -0.953979120317073 0.514590822219405
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5054 M484T3653 M484.1T60.9 484.100006103516 484.100006103516 484.100006103516 60.8827979698692 60.8827979698692 60.8827979698692 1 0 1 2409 1.17539505709803 -0.113654641234731 0.920127500419033
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5055 M484T3544 M484.1T59.1 484.100006103516 484.100006103516 484.100006103516 59.0600521059129 59.0600521059129 59.0600521059129 1 1 0 [93][M+1]- 2354 4.88389517107213 -0.779081787539592 0.570321230795339
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5056 M484T4204 M484.1T70.1 484.100006103516 484.100006103516 484.100006103516 70.0638491424957 70.0638491424957 70.0638491424957 1 1 0 198 2.75624210251216 -1.21200222215948 0.349501538932149
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5057 M484T4187 M484.1T69.8 484.100006103516 484.100006103516 484.100006103516 69.7885752156603 69.7885752156603 69.7885752156603 1 0 1 255 1.34212271796558 0.624569908202034 0.599315262275301
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5058 M484T3601 M484.2T60 484.200012207031 484.200012207031 484.200012207031 60.019846142546 60.019846142546 60.019846142546 1 1 0 [92][M+2]- 22 1.10889594917218 -0.458726804106008 0.693863338673766
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5059 M484T3669 M484.3T61.1 484.300018310547 484.300018310547 484.300018310547 61.1467514117221 61.1467514117221 61.1467514117221 1 0 1 449 7.90614452548801 6.33527479421865 0.0564144026372611
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5060 M484T3565 M484.3T59.4 484.300018310547 484.300018310547 484.300018310547 59.412096709312 59.412096709312 59.412096709312 1 1 0 1627 1.84445452722545 -0.402485864626674 0.736106223238663
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5061 M484T4214 M484.3T70.2 484.300018310547 484.300018310547 484.300018310547 70.2266944485552 70.2266944485552 70.2266944485552 1 0 1 5320 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5062 M484T2784 M484.3T46.4 484.300018310547 484.300018310547 484.300018310547 46.3931016285452 46.3931016285452 46.3931016285452 1 1 0 12 8.60698054660457 -1.23948389294767 0.424008680588098
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5063 M484T3893 M484.4T64.9 484.399993896484 484.399993896484 484.399993896484 64.8818906790911 64.8818906790911 64.8818906790911 1 0 1 4895 7.13756169170258 0.894107566351734 0.530503593127437
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5064 M484T3420 M484.4T57 484.399993896484 484.399993896484 484.399993896484 57.0052840854445 57.0052840854445 57.0052840854445 1 0 1 881 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5065 M484T4055 M484.4T67.6 484.399993896484 484.399993896484 484.399993896484 67.5781408999495 67.5781408999495 67.5781408999495 1 0 1 3431 1.74698336773143 0.423757933352952 0.742868074273785
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5066 M484T3396 M484.4T56.6 484.399993896484 484.399993896484 484.399993896484 56.5931346336967 56.5931346336967 56.5931346336967 1 0 1 493 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5067 M484T3683 M484.4T61.4 484.399993896484 484.399993896484 484.399993896484 61.3812954621756 61.3812954621756 61.3812954621756 1 1 0 605 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5068 M484T3931 M484.4T65.5 484.399993896484 484.399993896484 484.399993896484 65.509083322061 65.509083322061 65.509083322061 1 0 1 2958 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5069 M484T3041 M484.5T50.7 484.5 484.5 484.5 50.6875643781415 50.6875643781415 50.6875643781415 1 0 1 3227 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5070 M484T3746 M484.5T62.4 484.5 484.5 484.5 62.4396438301653 62.4396438301653 62.4396438301653 1 1 0 1068 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5071 M485T3681 M484.9T61.4 484.899993896484 484.899993896484 484.899993896484 61.3553114285312 61.3553114285312 61.3553114285312 1 1 0 606 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5072 M485T3668 M485T61.1 485 485 485 61.1400389252778 61.1400389252778 61.1400389252778 1 0 1 450 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5073 M485T3918 M485T65.3 485 485 485 65.2918564684974 65.2918564684974 65.2918564684974 1 0 1 3008 2.94479100487453 0.625344618452585 0.627761079478139
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5074 M485T4139 M485T69 485 485 485 68.9899337519259 68.9899337519259 68.9899337519259 1 1 0 4239 4.73665837202536 -0.771866645521321 0.572777614603226
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5075 M485T2903 M485T48.4 485 485 485 48.3851995143372 48.3851995143372 48.3851995143372 1 0 1 97 2.56992368087531 1.28049069845557 0.34051421000135
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5076 M485T4132 M485.1T68.9 485.100006103516 485.100006103516 485.100006103516 68.85862190811 68.85862190811 68.85862190811 1 1 0 1502 4.33071136806925 -1.60836126614439 0.33830798465902
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5077 M485T2935 M485.1T48.9 485.100006103516 485.100006103516 485.100006103516 48.909336203624 48.909336203624 48.909336203624 1 1 0 2793 9.39787934941603 -0.967455496194528 0.507131433824081
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5078 M485T2924 M485.2T48.7 485.200012207031 485.200012207031 485.200012207031 48.7280350565451 48.7280350565451 48.7280350565451 1 1 0 [M+Cl]- 450.227 60 1.7770184104221 -0.429843365786875 0.731938245295151
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5079 M485T3023 M485.2T50.4 485.200012207031 485.200012207031 485.200012207031 50.3755213268837 50.3755213268837 50.3755213268837 1 0 1 [M-H]- 486.212 39 2.50643354339736 0.745732364213465 0.587397999369422
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5080 M485T3643 M485.2T60.7 485.200012207031 485.200012207031 485.200012207031 60.7116062264341 60.7116062264341 60.7116062264341 1 1 0 [M-H-C3H4]- 526.233 24 5.82326500350645 -1.15939552723009 0.450927551971991
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5081 M485T2844 M485.2T47.4 485.200012207031 485.200012207031 485.200012207031 47.3920502264559 47.3920502264559 47.3920502264559 1 0 1 181 1.14738079467327 0.398936328154856 0.741306347737892
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5082 M485T3132 M485.3T52.2 485.300018310547 485.300018310547 485.300018310547 52.2018206940751 52.2018206940751 52.2018206940751 1 0 1 5000 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5083 M485T3044 M485.3T50.7 485.300018310547 485.300018310547 485.300018310547 50.7393135613188 50.7393135613188 50.7393135613188 1 0 1 4956 3.4514987796194 2.30647873069061 0.217807751737525
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5084 M485T3771 M485.3T62.8 485.300018310547 485.300018310547 485.300018310547 62.8486881935216 62.8486881935216 62.8486881935216 1 1 0 940 3.24599690024288 -2.99988643987888 0.0975907219077605
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5085 M485T2766 M485.3T46.1 485.300018310547 485.300018310547 485.300018310547 46.0972733209993 46.0972733209993 46.0972733209993 1 0 1 3807 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5086 M485T4064 M485.4T67.7 485.399993896484 485.399993896484 485.399993896484 67.7304011125165 67.7304011125165 67.7304011125165 1 1 0 5799 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5087 M485T2834 M485.4T47.2 485.399993896484 485.399993896484 485.399993896484 47.2294292933091 47.2294292933091 47.2294292933091 1 1 0 4584 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5088 M485T3856 M485.4T64.3 485.399993896484 485.399993896484 485.399993896484 64.2640666387519 64.2640666387519 64.2640666387519 1 1 0 21 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5089 M485T2959 M485.4T49.3 485.399993896484 485.399993896484 485.399993896484 49.3102024271239 49.3102024271239 49.3102024271239 1 1 0 3272 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5090 M486T3728 M485.6T62.1 485.600006103516 485.600006103516 485.600006103516 62.1361187572841 62.1361187572841 62.1361187572841 1 1 0 3573 42.0619200810542 -0.97594974968214 0.507601701932444
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5091 M486T3736 M485.8T62.3 485.800018310547 485.800018310547 485.800018310547 62.2713910572077 62.2713910572077 62.2713910572077 1 0 1 5199 1.61196233815759 -0.322603157434721 0.782800219352917
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5092 M486T2537 M485.9T42.3 485.899993896484 485.899993896484 485.899993896484 42.2759514146668 42.2759514146668 42.2759514146668 1 0 1 5784 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5093 M486T3752 M485.9T62.5 485.899993896484 485.899993896484 485.899993896484 62.5312392052914 62.5312392052914 62.5312392052914 1 0 1 14 4.98715743265915 0.783881782050814 0.568697404945114
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5094 M486T2774 M485.9T46.2 485.899993896484 485.899993896484 485.899993896484 46.2363947323242 46.2363947323242 46.2363947323242 1 1 0 5123 1.23019769689258 -0.1452015813421 0.898353100357601
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5095 M486T3726_1 M485.9T62.1_1 485.899993896484 485.899993896484 485.899993896484 62.1029782006783 62.1029782006783 62.1029782006783 1 1 0 4682 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5096 M486T3726_2 M486T62.1_2 486 486 486 62.0950630281632 62.0578316825142 62.1322943738121 2 1 1 4683 4.94420731965714 -0.910806562154187 0.516994648735314
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5097 M486T3292 M486T54.9 486 486 486 54.8699801087332 54.8699801087332 54.8699801087332 1 0 1 5760 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5098 M486T3536 M486T58.9 486 486 486 58.9359109844876 58.9359109844876 58.9359109844876 1 1 0 1970 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5099 M486T3948 M486T65.8 486 486 486 65.8004117494083 65.8004117494083 65.8004117494083 1 1 0 3740 1.2623162978493 -0.211490372238683 0.852422638748337
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5100 M486T3758 M486T62.6 486 486 486 62.6351257138066 62.6351257138066 62.6351257138066 1 0 1 934 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5101 M486T2839 M486T47.3 486 486 486 47.3229831183356 47.3229831183356 47.3229831183356 1 1 0 4639 3.38495946078569 -0.704365310128517 0.609224667046968
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5102 M486T3654 M486.1T60.9 486.100006103516 486.100006103516 486.100006103516 60.9050570460149 60.9050570460149 60.9050570460149 1 0 1 2410 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5103 M486T4226 M486.1T70.4 486.100006103516 486.100006103516 486.100006103516 70.4329299527434 70.4329299527434 70.4329299527434 1 0 1 5426 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5104 M486T2831 M486.1T47.2 486.100006103516 486.100006103516 486.100006103516 47.1761938363677 47.1761938363677 47.1761938363677 1 1 0 4585 1.24082306043415 -0.254737270968301 0.841191303057095
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5105 M486T3459 M486.1T57.7 486.100006103516 486.100006103516 486.100006103516 57.6571398962069 57.6571398962069 57.6571398962069 1 0 1 [M+HCOO]- 441.106 19 1.04023105627416 0.147124103783113 0.897783574747907
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5106 M486T2799 M486.2T46.7 486.200012207031 486.200012207031 486.200012207031 46.6582065040879 46.6423139337858 46.6697728946465 3 1 2 [94][M]- [M-2H+Na]- 465.229 [M-H-CH2]- 501.211 98 1.10474720721281 0.115374585497682 0.918730286039367
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5107 M486T3474 M486.2T57.9 486.200012207031 486.200012207031 486.200012207031 57.8994522946487 57.8585305627072 57.9403740265902 2 0 2 [M-H]- 487.204 31 1.11865918659911 0.367295441883813 0.748779090375963
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5108 M486T2969 M486.2T49.5 486.200012207031 486.200012207031 486.200012207031 49.4813131494975 49.4813131494975 49.4813131494975 1 1 0 72 3.07195169072787 -9.96012592310603 0.0163593784602678
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5109 M486T4105 M486.3T68.4 486.300018310547 486.300018310547 486.300018310547 68.4126241167387 68.4126241167387 68.4126241167387 1 1 0 192 16.7396314368317 -1.53083125177124 0.365068145125023
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5110 M486T2815 M486.3T46.9 486.300018310547 486.300018310547 486.300018310547 46.9093659661346 46.9093659661346 46.9093659661346 1 1 0 3302 Inf -1.11056391382968 0.46668052010609
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5111 M486T4135 M486.3T68.9 486.300018310547 486.300018310547 486.300018310547 68.9111583876206 68.9111583876206 68.9111583876206 1 1 0 3990 5.23901833057878 -4.12828053936857 0.132369124524045
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5112 M486T4095 M486.4T68.2 486.399993896484 486.399993896484 486.399993896484 68.247494786193 68.1872389481614 68.3077506242246 2 1 1 5104 2.49874259801053 -0.775760593024469 0.533737242136306
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5113 M486T3301 M486.4T55 486.399993896484 486.399993896484 486.399993896484 55.0086965617651 55.0086965617651 55.0086965617651 1 1 0 167 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5114 M486T2872 M486.4T47.9 486.399993896484 486.399993896484 486.399993896484 47.8738616553085 47.8738616553085 47.8738616553085 1 0 1 4764 5.05268723819977 1.10943559266113 0.446208787044226
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5115 M486T2649 M486.4T44.1 486.399993896484 486.399993896484 486.399993896484 44.1462261251527 44.1462261251527 44.1462261251527 1 1 0 5680 3.47930639091617 -0.684860618296781 0.604120435552372
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5116 M486T2919 M486.4T48.6 486.399993896484 486.399993896484 486.399993896484 48.6455888101118 48.6455888101118 48.6455888101118 1 0 1 2776 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5117 M486T3339 M486.4T55.6 486.399993896484 486.399993896484 486.399993896484 55.6426907807288 55.6426907807288 55.6426907807288 1 0 1 1116 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5118 M486T3980 M486.5T66.3 486.5 486.5 486.5 66.3305484080703 66.3305484080703 66.3305484080703 1 1 0 2052 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5119 M486T4010 M486.5T66.8 486.5 486.5 486.5 66.833385720542 66.833385720542 66.833385720542 1 1 0 5228 1.86561107454555 -0.408939758711629 0.732507277915037
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5120 M487T3757 M486.8T62.6 486.800018310547 486.800018310547 486.800018310547 62.6097822557779 62.6097822557779 62.6097822557779 1 1 0 1002 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5121 M487T2553 M486.8T42.6 486.800018310547 486.800018310547 486.800018310547 42.5511381126804 42.5511381126804 42.5511381126804 1 1 0 3081 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5122 M487T2758 M486.8T46 486.800018310547 486.800018310547 486.800018310547 45.9740616479649 45.9740616479649 45.9740616479649 1 1 0 5493 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5123 M487T4212 M486.8T70.2 486.800018310547 486.800018310547 486.800018310547 70.2009195746585 70.2009195746585 70.2009195746585 1 0 1 4937 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5124 M487T3529 M486.9T58.8 486.899993896484 486.899993896484 486.899993896484 58.8194456415545 58.8194456415545 58.8194456415545 1 0 1 415 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5125 M487T4176 M486.9T69.6 486.899993896484 486.899993896484 486.899993896484 69.5927325930257 69.5927325930257 69.5927325930257 1 1 0 4403 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5126 M487T2779 M486.9T46.3 486.899993896484 486.899993896484 486.899993896484 46.3148340394402 46.3148340394402 46.3148340394402 1 1 0 4277 Inf -4.09400024046058 0.15251432517656
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5127 M487T2611 M486.9T43.5 486.899993896484 486.899993896484 486.899993896484 43.5161881126804 43.5161881126804 43.5161881126804 1 1 0 4027 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5128 M487T3296 M487T54.9 487 487 487 54.9340092491062 54.9340092491062 54.9340092491062 1 1 0 2607 7.29991590173233 -0.862274100634936 0.54659913215581
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5129 M487T3437 M487T57.3 487 487 487 57.2838294785555 57.2838294785555 57.2838294785555 1 1 0 4883 1.63113344815476 -0.381312023277663 0.765266702630198
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5130 M487T4132 M487T68.9 487 487 487 68.8592396341954 68.8592396341954 68.8592396341954 1 0 1 [M+Cl+HCOOH]- 406.025 [M+HCOO]- 442.006 23 Inf 2.51125298177724 0.241253583289669
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5131 M487T3802 M487T63.4 487 487 487 63.3721515043846 63.3721515043846 63.3721515043846 1 0 1 2838 3.48009068736346 2.99289787933525 0.202603683323834
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5132 M487T3217 M487.1T53.6 487.100006103516 487.100006103516 487.100006103516 53.624256404931 53.624256404931 53.624256404931 2 0 1 [M-H-C2H4O2]- 548.13 113 2.21552785871997 0.536847029852696 0.670429748396902
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5133 M487T3682 M487.1T61.4 487.100006103516 487.100006103516 487.100006103516 61.3634922984121 61.3634922984121 61.3634922984121 1 1 0 [M-H-C2H2]- 514.111 5 1.59559546772623 -0.346801960368126 0.776219696857634
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5134 M487T4173 M487.1T69.5 487.100006103516 487.100006103516 487.100006103516 69.548925578163 69.548925578163 69.548925578163 1 0 1 4404 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5135 M487T3238 M487.1T54 487.100006103516 487.100006103516 487.100006103516 53.9726666838964 53.9726666838964 53.9726666838964 1 1 0 [M-H-C4H4]- 540.133 54 1.31854872799994 -0.224328308988357 0.843916734338473
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5136 M487T3496 M487.2T58.3 487.200012207031 487.200012207031 487.200012207031 58.2713130322852 58.2713130322852 58.2713130322852 1 1 0 3509 2.06500658952752 -0.566868640440257 0.667675251612558
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5137 M487T2799 M487.2T46.6 487.200012207031 487.200012207031 487.200012207031 46.6432780857951 46.6432780857951 46.6432780857951 1 1 0 [94][M+1]- 98 1.18359819322924 -0.180417849242963 0.874586728921182
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5138 M487T2659 M487.2T44.3 487.200012207031 487.200012207031 487.200012207031 44.3145983176532 44.3145983176532 44.3145983176532 1 1 0 4052 10.3951925680136 -0.899648546319631 0.531392700578122
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5139 M487T3598 M487.3T60 487.300018310547 487.300018310547 487.300018310547 59.970284351477 59.970284351477 59.970284351477 1 0 1 1435 3.98820740563339 0.726763145631923 0.588598960071719
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5140 M487T2620 M487.3T43.7 487.300018310547 487.300018310547 487.300018310547 43.6677995766058 43.6677995766058 43.6677995766058 1 1 0 2663 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5141 M487T3419 M487.3T57 487.300018310547 487.300018310547 487.300018310547 56.9912551293289 56.9912551293289 56.9912551293289 1 1 0 882 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5142 M487T4085 M487.4T68.1 487.399993896484 487.399993896484 487.399993896484 68.0838679892212 68.0838679892212 68.0838679892212 1 0 1 5728 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5143 M487T3755 M487.4T62.6 487.399993896484 487.399993896484 487.399993896484 62.5833110048213 62.5833110048213 62.5833110048213 1 1 0 1069 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5144 M487T3992 M487.4T66.5 487.399993896484 487.399993896484 487.399993896484 66.5282370492378 66.5282370492378 66.5282370492378 1 0 1 4503 6.90984899911611 0.846460767106037 0.548172513451769
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5145 M487T3019 M487.4T50.3 487.399993896484 487.399993896484 487.399993896484 50.3157261977645 50.3157261977645 50.3157261977645 1 1 0 2124 23.474097728322 -0.95653230276964 0.51367966250939
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5146 M488T4132 M487.5T68.9 487.5 487.5 487.5 68.8592396341954 68.8592396341954 68.8592396341954 1 0 1 1503 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5147 M488T3776 M487.5T62.9 487.5 487.5 487.5 62.9350862984314 62.9350862984314 62.9350862984314 1 1 0 6057 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5148 M488T3848 M487.5T64.1 487.5 487.5 487.5 64.1317421799532 64.1317421799532 64.1317421799532 1 1 0 1400 Inf -1.23733203235956 0.432720159590819
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5149 M488T3973 M487.5T66.2 487.5 487.5 487.5 66.2246272614404 66.2246272614404 66.2246272614404 1 1 0 2053 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5150 M488T3902 M487.6T65 487.600006103516 487.600006103516 487.600006103516 65.0340256313823 65.0340256313823 65.0340256313823 1 1 0 4844 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5151 M488T2666 M487.9T44.4 487.899993896484 487.899993896484 487.899993896484 44.4392567942445 44.4392567942445 44.4392567942445 1 0 1 4069 1.31822766167107 0.192328251218591 0.866374782069088
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5152 M488T3929 M488T65.5 488 488 488 65.4758462948094 65.4758462948094 65.4758462948094 1 0 1 3009 4.66670933652902 0.768275549566944 0.574007345672473
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5153 M488T2925 M488T48.8 488 488 488 48.7538850004983 48.7538850004983 48.7538850004983 1 1 0 60 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5154 M488T4012 M488T66.9 488 488 488 66.8666235855479 66.8666235855479 66.8666235855479 1 0 1 5229 1.49949116161342 -1.90998006108266 0.221012093730078
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5155 M488T3501 M488.1T58.3 488.100006103516 488.100006103516 488.100006103516 58.3430787804628 58.3430787804628 58.3430787804628 1 0 1 [M-H-C2H3]- 516.128 [M-H-HCN]- 516.128 76 1.20585414120872 0.794285053024554 0.572411912585357
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5156 M488T3984 M488.1T66.4 488.100006103516 488.100006103516 488.100006103516 66.3977981483185 66.3977981483185 66.3977981483185 1 0 1 4504 2.29942519796257 1.08346565779791 0.463294390241134
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5157 M488T3616 M488.1T60.3 488.100006103516 488.100006103516 488.100006103516 60.270616510631 60.270616510631 60.270616510631 1 0 1 2567 1.21947460382684 0.363207492477225 0.778206495414242
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5158 M488T3774 M488.1T62.9 488.100006103516 488.100006103516 488.100006103516 62.8967197984542 62.8967197984542 62.8967197984542 1 0 1 5855 1.19436204713678 -0.189047052062783 0.880401113798349
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5159 M488T2878 M488.2T48 488.200012207031 488.200012207031 488.200012207031 47.9729847060029 47.9683825080954 48.010657199321 3 2 1 [95][M]- 131 1.1004461120516 0.0956822568529429 0.938607661647307
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5160 M488T2889 M488.3T48.1 488.300018310547 488.300018310547 488.300018310547 48.1432297004014 48.1432297004014 48.1432297004014 1 0 1 3835 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5161 M488T3733 M488.3T62.2 488.300018310547 488.300018310547 488.300018310547 62.2193758027016 62.2193758027016 62.2193758027016 1 0 1 3544 2.84889755097882 -0.638772915265081 0.626786335915909
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5162 M488T2564 M488.3T42.7 488.300018310547 488.300018310547 488.300018310547 42.7312778044834 42.7312778044834 42.7312778044834 1 0 1 3082 3.87974345269905 3.02213896024106 0.096906288073741
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5163 M488T3442 M488.3T57.4 488.300018310547 488.300018310547 488.300018310547 57.3697498371991 57.3697498371991 57.3697498371991 1 0 1 2917 2.37554146315785 0.533685142302978 0.668358919960283
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5164 M488T3138 M488.3T52.3 488.300018310547 488.300018310547 488.300018310547 52.2986642452469 52.2986642452469 52.2986642452469 1 1 0 3122 4.72859370274578 -0.784715681270731 0.574387113916145
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5165 M488T3730 M488.4T62.2 488.399993896484 488.399993896484 488.399993896484 62.1622607964519 62.1622607964519 62.1622607964519 1 1 0 [M-H]- 489.41 84 119.50872628826 -0.991597696670685 0.502667394766647
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5166 M488T2846 M488.4T47.4 488.399993896484 488.399993896484 488.399993896484 47.4412492895342 47.4412492895342 47.4412492895342 1 1 0 5528 9.16126146593627 -0.885584534887115 0.535792357960309
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5167 M488T4048 M488.4T67.5 488.399993896484 488.399993896484 488.399993896484 67.463174611105 67.463174611105 67.463174611105 1 0 1 4121 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5168 M488T2743 M488.4T45.7 488.399993896484 488.399993896484 488.399993896484 45.7116895262606 45.7116895262606 45.7116895262606 1 1 0 4618 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5169 M488T3823 M488.4T63.7 488.399993896484 488.399993896484 488.399993896484 63.7203738266737 63.7203738266737 63.7203738266737 1 1 0 1890 1.38601910851717 -0.225860031615874 0.844114157008165
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5170 M489T3886 M488.7T64.8 488.700012207031 488.700012207031 488.700012207031 64.770179874019 64.770179874019 64.770179874019 1 1 0 2252 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5171 M489T3320 M488.9T55.3 488.899993896484 488.899993896484 488.899993896484 55.3289173675151 55.3289173675151 55.3289173675151 1 1 0 1148 2.87687814394533 -0.616234049703688 0.631560440553763
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5172 M489T2787 M488.9T46.4 488.899993896484 488.899993896484 488.899993896484 46.4451542533488 46.4451542533488 46.4451542533488 1 1 0 923 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5173 M489T3726 M488.9T62.1 488.899993896484 488.899993896484 488.899993896484 62.1029782006783 62.1029782006783 62.1029782006783 1 1 0 4684 6.62955822427052 -0.839661870892373 0.550352703491038
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5174 M489T3520 M489T58.7 489 489 489 58.673055717006 58.673055717006 58.673055717006 1 1 0 416 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5175 M489T3744 M489T62.4 489 489 489 62.4013598181144 62.4013598181144 62.4013598181144 1 0 1 1020 6.30497764689273 0.831007866175854 0.553142959897283
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5176 M489T2523 M489T42.1 489 489 489 42.0531278044834 42.0531278044834 42.0531278044834 1 0 1 5041 2.45565263657034 1.80996265059033 0.2380066244957
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5177 M489T3805 M489T63.4 489 489 489 63.4249379121707 63.4249379121707 63.4249379121707 1 0 1 4185 2.04373736242446 0.458730819603958 0.705657980376202
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5178 M489T2697 M489.1T45 489.100006103516 489.100006103516 489.100006103516 44.9519548560992 44.9519548560992 44.9519548560992 1 0 1 5072 10.3604197384545 1.1633988703313 0.447435969169525
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5179 M489T2892 M489.1T48.2 489.100006103516 489.100006103516 489.100006103516 48.1970781341587 48.1970781341587 48.1970781341587 1 0 1 [M+Cl]- 454.139 95 2.310641765123 -1.05686776063001 0.409782094365099
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5180 M489T4008 M489.1T66.8 489.100006103516 489.100006103516 489.100006103516 66.7943614501429 66.7943614501429 66.7943614501429 1 1 0 5230 29.5194847092973 -0.965570194913596 0.51085562958564
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5181 M489T3823 M489.1T63.7 489.100006103516 489.100006103516 489.100006103516 63.7203738266737 63.7203738266737 63.7203738266737 1 1 0 1891 3.2257387203493 -2.50787740524016 0.229326734247287
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5182 M489T3871 M489.1T64.5 489.100006103516 489.100006103516 489.100006103516 64.51555542861 64.51555542861 64.51555542861 1 0 1 2727 9.16694035587442 0.885658215233508 0.535769255419227
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5183 M489T2561 M489.2T42.7 489.200012207031 489.200012207031 489.200012207031 42.6766662432725 42.6766662432725 42.6766662432725 1 1 0 3063 1.45848795598043 -0.646477341370298 0.622747140255453
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5184 M489T2878 M489.2T48 489.200012207031 489.200012207031 489.200012207031 47.9683825080954 47.9683825080954 47.9683825080954 1 0 1 [95][M+1]- 131 3.18941885194893 0.937230859737762 0.519674932428044
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5185 M489T2881 M489.3T48 489.300018310547 489.300018310547 489.300018310547 48.010657199321 48.010657199321 48.010657199321 1 1 0 4739 2.02573408089744 -0.649630072416257 0.584840135853489
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5186 M489T3509 M489.3T58.5 489.300018310547 489.300018310547 489.300018310547 58.489427289443 58.489427289443 58.489427289443 1 1 0 4528 1.31731267258179 0.191859773665506 0.866688908898866
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5187 M489T3167 M489.3T52.8 489.300018310547 489.300018310547 489.300018310547 52.7913443052623 52.7913443052623 52.7913443052623 1 0 1 785 3.00120474856312 1.8732966596531 0.268218033304952
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5188 M489T3635 M489.3T60.6 489.300018310547 489.300018310547 489.300018310547 60.5838403515172 60.5838403515172 60.5838403515172 1 1 0 [M+Cl]- 454.331 59 11.3779133398654 -0.908607866980239 0.528598533206726
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5189 M489T3505 M489.4T58.4 489.399993896484 489.399993896484 489.399993896484 58.4105714219249 58.4105714219249 58.4105714219249 1 1 0 3380 10.0398130206021 -1.01479806527883 0.491964333722175
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5190 M489T3682 M489.4T61.4 489.399993896484 489.399993896484 489.399993896484 61.3634922984121 61.3634922984121 61.3634922984121 1 1 0 [M+Cl]- 454.435 5 2.03551070144787 -0.456597471317512 0.706774696587403
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5191 M489T2715 M489.4T45.3 489.399993896484 489.399993896484 489.399993896484 45.2529094053249 45.2529094053249 45.2529094053249 1 0 1 49 8.79256410744951 2.91754015006604 0.159309248586858
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5192 M489T2608 M489.4T43.5 489.399993896484 489.399993896484 489.399993896484 43.4591495766058 43.4591495766058 43.4591495766058 1 1 0 4016 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5193 M490T2680 M489.7T44.7 489.700012207031 489.700012207031 489.700012207031 44.6746005902642 44.6746005902642 44.6746005902642 1 1 0 664 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5194 M490T3365 M489.8T56.1 489.800018310547 489.800018310547 489.800018310547 56.0844797410509 56.0844797410509 56.0844797410509 1 1 0 4663 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5195 M490T3747 M489.9T62.5 489.899993896484 489.899993896484 489.899993896484 62.4512227073803 62.4512227073803 62.4512227073803 1 1 0 1070 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5196 M490T3883 M489.9T64.7 489.899993896484 489.899993896484 489.899993896484 64.7136431075276 64.7136431075276 64.7136431075276 1 0 1 2253 Inf 1 0.5
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5197 M490T3685 M490T61.4 490 490 490 61.4095073409087 61.4095073409087 61.4095073409087 1 0 1 607 Inf 1 0.5
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lecorguille
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5198 M490T3329 M490T55.5 490 490 490 55.4818278558154 55.4818278558154 55.4818278558154 1 1 0 1117 4.04730592052527 -2.78053636070701 0.160211411929141
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5199 M490T3697 M490.1T61.6 490.100006103516 490.100006103516 490.100006103516 61.6193203628295 61.6193203628295 61.6193203628295 1 0 1 5485 Inf 4.11593613147542 0.151732010807568
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5200 M490T2878 M490.1T48 490.100006103516 490.100006103516 490.100006103516 47.9683825080954 47.9683825080954 47.9683825080954 1 0 1 4722 1.02764755215877 0.0298991417090167 0.980624904850663
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5201 M490T3675 M490.1T61.3 490.100006103516 490.100006103516 490.100006103516 61.2519570581058 61.2519570581058 61.2519570581058 1 0 1 3694 1.67365908524272 0.512230130873834 0.660540462605731
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5202 M490T3498 M490.2T58.3 490.200012207031 490.200012207031 490.200012207031 58.305481552438 58.305481552438 58.305481552438 1 1 0 [M-H-C2H3]- 518.228 [M-H-HCN]- 518.228 76 3.18686450703103 -6.5312578143968 0.0226652052222076
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5203 M490T2684 M490.3T44.7 490.300018310547 490.300018310547 490.300018310547 44.7402216334792 44.7402216334792 44.7402216334792 1 0 1 665 5.65972247164403 0.949746736824352 0.506074639737638
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5204 M490T3509 M490.3T58.5 490.300018310547 490.300018310547 490.300018310547 58.489427289443 58.489427289443 58.489427289443 1 1 0 4529 3.01854439773185 -0.63478717627895 0.623875564921066
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5205 M490T4175 M490.3T69.6 490.300018310547 490.300018310547 490.300018310547 69.5823539059201 69.5823539059201 69.5823539059201 1 0 1 4405 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5206 M490T3875 M490.3T64.6 490.300018310547 490.300018310547 490.300018310547 64.5792961109386 64.5792961109386 64.5792961109386 1 1 0 [M-H-C2H2]- 517.325 55 4.84580295905449 -0.818475382846437 0.557449163071736
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5207 M490T3032 M490.3T50.5 490.300018310547 490.300018310547 490.300018310547 50.5326675803136 50.5326675803136 50.5326675803136 1 0 1 39 Inf 1.69798876704563 0.338835493461229
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5208 M490T3150 M490.3T52.5 490.300018310547 490.300018310547 490.300018310547 52.5068787390549 52.5068787390549 52.5068787390549 1 1 0 3040 1.0572432157336 0.10461123397248 0.927770071502739
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5209 M490T2520 M490.4T42 490.399993896484 490.399993896484 490.399993896484 42.0009611378167 42.0009611378167 42.0009611378167 1 0 1 5054 2.03658045988617 -0.729246031169471 0.541696715247271
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5210 M490T4102 M490.4T68.4 490.399993896484 490.399993896484 490.399993896484 68.3660964327137 68.3660964327137 68.3660964327137 1 0 1 5813 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5211 M490T3723 M490.4T62.1 490.399993896484 490.399993896484 490.399993896484 62.0514059930956 62.0514059930956 62.0514059930956 1 1 0 3448 Inf -1.47762037426672 0.3787635535138
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5212 M490T3016 M490.4T50.3 490.399993896484 490.399993896484 490.399993896484 50.2743535162671 50.2743535162671 50.2743535162671 1 0 1 2087 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5213 M490T4067 M490.4T67.8 490.399993896484 490.399993896484 490.399993896484 67.7829690990797 67.7829690990797 67.7829690990797 1 1 0 3901 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5214 M490T2867 M490.4T47.8 490.399993896484 490.399993896484 490.399993896484 47.7849003777037 47.7849003777037 47.7849003777037 1 0 1 3652 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5215 M490T3801 M490.5T63.3 490.5 490.5 490.5 63.3457698290879 63.3457698290879 63.3457698290879 1 0 1 2839 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5216 M491T2788 M490.6T46.5 490.600006103516 490.600006103516 490.600006103516 46.4670382320035 46.4670382320035 46.4670382320035 1 0 1 924 Inf 1 0.5
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lecorguille
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5217 M491T3208 M490.9T53.5 490.899993896484 490.899993896484 490.899993896484 53.4725764956138 53.4725764956138 53.4725764956138 1 0 1 4327 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5218 M491T2934 M490.9T48.9 490.899993896484 490.899993896484 490.899993896484 48.9035628366548 48.9035628366548 48.9035628366548 1 0 1 2815 1.14403606567818 0.0947930182279177 0.933257898095469
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5219 M491T3965 M491T66.1 491 491 491 66.0840176928301 66.0540795330602 66.1139558526 2 1 1 2054 2.44258872651357 -0.54656690006187 0.662326405333928
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5220 M491T2873 M491T47.9 491 491 491 47.881268787147 47.881268787147 47.881268787147 1 1 0 4765 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5221 M491T4472 M491T74.5 491 491 491 74.5384525149842 74.5384525149842 74.5384525149842 1 0 1 6099 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5222 M491T3104 M491T51.7 491 491 491 51.72831840633 51.72831840633 51.72831840633 1 0 1 3144 1.42450109159352 0.297350706333477 0.815671311233254
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5223 M491T3904 M491T65.1 491 491 491 65.0604157244199 65.0604157244199 65.0604157244199 1 1 0 4845 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5224 M491T3250 M491T54.2 491 491 491 54.1588324107296 54.1588324107296 54.1588324107296 1 1 0 1902 4.84999836771752 -1.49731900567166 0.331737132766788
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5225 M491T3923 M491T65.4 491 491 491 65.3848345588191 65.3848345588191 65.3848345588191 1 1 0 3010 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5226 M491T3622 M491T60.4 491 491 491 60.3625377209829 60.3625377209829 60.3625377209829 1 1 0 26 2.43237040801136 -0.54464620139307 0.663218916566981
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5227 M491T4061 M491.1T67.7 491.100006103516 491.100006103516 491.100006103516 67.6837150407965 67.6837150407965 67.6837150407965 1 1 0 4703 4.69503407101522 -0.907152081758588 0.516718859310396
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5228 M491T3829 M491.2T63.8 491.200012207031 491.200012207031 491.200012207031 63.8092374676737 63.7412461334976 63.8772288018497 2 1 1 1892 3.339488380994 -15.3828255585637 0.0256956815313454
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5229 M491T3360 M491.2T56 491.200012207031 491.200012207031 491.200012207031 56.0029966944767 56.0029966944767 56.0029966944767 1 1 0 709 24.6853350504638 -3.88197336189861 0.159872735099346
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5230 M491T3379 M491.2T56.3 491.200012207031 491.200012207031 491.200012207031 56.3156368424134 56.3156368424134 56.3156368424134 1 1 0 [M-H]- 492.21 25 21.8060140331838 -9.39302332951743 0.0675040781316074
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5231 M491T3537 M491.3T59 491.300018310547 491.300018310547 491.300018310547 58.9580561154666 58.8827949317949 59.0333172991383 2 1 1 35 2.09924909046347 -0.507733474277473 0.688864144549592
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5232 M491T3728 M491.3T62.1 491.300018310547 491.300018310547 491.300018310547 62.1361187572841 62.1361187572841 62.1361187572841 1 1 0 3574 2.06007984836812 -0.979354921346802 0.471557665414629
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5233 M491T4395 M491.3T73.2 491.300018310547 491.300018310547 491.300018310547 73.2474203793839 73.2474203793839 73.2474203793839 1 1 0 6111 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5234 M491T4107 M491.3T68.4 491.300018310547 491.300018310547 491.300018310547 68.4448820916184 68.4448820916184 68.4448820916184 1 0 1 [M-H-HCNO]- 535.309 43 2.44632512993546 0.64325685319001 0.628351032213386
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5235 M491T4141 M491.4T69 491.399993896484 491.399993896484 491.399993896484 69.0143366635432 69.0143366635432 69.0143366635432 1 0 1 4240 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5236 M491T3695 M491.4T61.6 491.399993896484 491.399993896484 491.399993896484 61.5899865543956 61.5899865543956 61.5899865543956 1 1 0 608 4.86597356589579 -0.77822746016218 0.570611102104654
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5237 M491T3800 M491.4T63.3 491.399993896484 491.399993896484 491.399993896484 63.3277143462953 63.3277143462953 63.3277143462953 1 1 0 2840 Inf -1.58444635019197 0.358416324382023
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5238 M491T3781 M491.4T63 491.399993896484 491.399993896484 491.399993896484 63.0247439318261 63.0247439318261 63.0247439318261 1 0 1 3678 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5239 M491T3753 M491.4T62.6 491.399993896484 491.399993896484 491.399993896484 62.5572125662033 62.5572125662033 62.5572125662033 1 0 1 1071 4.84541515034323 0.777239461437452 0.570946653840769
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5240 M492T4097 M491.5T68.3 491.5 491.5 491.5 68.2906027695799 68.2906027695799 68.2906027695799 1 0 1 5105 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5241 M492T3409_1 M491.5T56.8_1 491.5 491.5 491.5 56.8245950593786 56.8245950593786 56.8245950593786 1 0 1 2550 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5242 M492T3538 M491.9T59 491.899993896484 491.899993896484 491.899993896484 58.9605315141229 58.9605315141229 58.9605315141229 1 0 1 35 11.6728131108166 0.910993974237676 0.527855199356495
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5243 M492T3321 M492T55.4 492 492 492 55.3551840650165 55.3551840650165 55.3551840650165 1 1 0 1149 Inf -3.17160190210968 0.194444035743456
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5244 M492T3466 M492T57.8 492 492 492 57.7600924594815 57.7600924594815 57.7600924594815 1 0 1 4032 1.41857120948013 0.275975543646374 0.820424359777474
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5245 M492T2667 M492T44.4 492 492 492 44.4498780174902 44.4498780174902 44.4498780174902 1 0 1 103 2.60305394765338 0.574874556911724 0.649451976098279
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5246 M492T3952 M492.1T65.9 492.100006103516 492.100006103516 492.100006103516 65.8749118479471 65.8749118479471 65.8749118479471 1 0 1 173 2.29771134316286 0.563531523903314 0.64814039022021
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5247 M492T3600 M492.1T60 492.100006103516 492.100006103516 492.100006103516 59.9953150282766 59.9953150282766 59.9953150282766 1 1 0 1437 2.79736392883681 -1.89977516941106 0.200949928103205
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5248 M492T3658 M492.2T61 492.200012207031 492.200012207031 492.200012207031 60.9684569543405 60.9067779759985 60.9885726042053 3 2 1 [M-H-C2H4O]- 537.229 [M-H-CONH2]- 537.229 47 1.54297633167826 -1.92763193705653 0.303960535661438
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5249 M492T3627 M492.2T60.4 492.200012207031 492.200012207031 492.200012207031 60.4455469845131 60.4455469845131 60.4455469845131 2 0 1 26 1.08660581688961 -0.149462221383512 0.904149589101873
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5250 M492T3312 M492.3T55.2 492.300018310547 492.300018310547 492.300018310547 55.1974320877231 55.1974320877231 55.1974320877231 1 1 0 546 6.96615793046499 -2.23500301558535 0.216883977020939
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5251 M492T3068 M492.3T51.1 492.300018310547 492.300018310547 492.300018310547 51.1345603230162 51.1345603230162 51.1345603230162 1 0 1 2437 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5252 M492T3632 M492.3T60.5 492.300018310547 492.300018310547 492.300018310547 60.5389149307692 60.5389149307692 60.5389149307692 1 0 1 2365 1.08911528047291 0.111437286616311 0.928123303650004
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5253 M492T3251 M492.3T54.2 492.300018310547 492.300018310547 492.300018310547 54.1855330204086 54.1855330204086 54.1855330204086 1 1 0 1926 2.22303370278035 -0.526382248399248 0.68019651033485
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5254 M492T2969 M492.3T49.5 492.300018310547 492.300018310547 492.300018310547 49.4912576707445 49.4912576707445 49.4912576707445 1 1 0 72 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5255 M492T2905 M492.4T48.4 492.399993896484 492.399993896484 492.399993896484 48.4122953400694 48.4122953400694 48.4122953400694 1 0 1 3922 3.7173108269089 1.09539216215959 0.428890060149794
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5256 M492T3328 M492.4T55.5 492.399993896484 492.399993896484 492.399993896484 55.4620905826162 55.4620905826162 55.4620905826162 1 0 1 1118 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5257 M492T3409_2 M492.4T56.8_2 492.399993896484 492.399993896484 492.399993896484 56.8245950593786 56.8245950593786 56.8245950593786 1 0 1 2551 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5258 M492T2612 M492.4T43.5 492.399993896484 492.399993896484 492.399993896484 43.5398278044834 43.5398278044834 43.5398278044834 1 0 1 4017 Inf 1 0.5
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lecorguille
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5259 M492T2893 M492.5T48.2 492.5 492.5 492.5 48.2239900144358 48.2239900144358 48.2239900144358 1 0 1 3836 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5260 M493T2951 M492.6T49.2 492.600006103516 492.600006103516 492.600006103516 49.1889511967688 49.1889511967688 49.1889511967688 1 0 1 3194 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5261 M493T2872 M493T47.9 493 493 493 47.8738616553085 47.8738616553085 47.8738616553085 1 0 1 4766 1.95669422433079 0.483984164260184 0.710482099522581
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5262 M493T3096 M493T51.6 493 493 493 51.59858988199 51.59858988199 51.59858988199 1 1 0 5372 23.1756239453524 -1.67846662134048 0.341811465943873
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5263 M493T4147 M493T69.1 493 493 493 69.1207024102231 69.1207024102231 69.1207024102231 1 1 0 5627 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5264 M493T3467 M493T57.8 493 493 493 57.7820587504465 57.7820587504465 57.7820587504465 1 0 1 3107 1.46787838566551 -0.576330107943618 0.623836356756459
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5265 M493T2880 M493.1T48 493.100006103516 493.100006103516 493.100006103516 48.0026206148497 47.9945840303785 48.010657199321 2 1 1 [M-H-NaOH]- 534.105 131 1.34907151590874 -0.394653680818188 0.745347206052596
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5266 M493T4113 M493.1T68.5 493.100006103516 493.100006103516 493.100006103516 68.5437143492201 68.5437143492201 68.5437143492201 1 1 0 [M-H]- 494.106 43 2.92029949183991 -1.09185465777279 0.462947246520266
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5267 M493T2532 M493.1T42.2 493.100006103516 493.100006103516 493.100006103516 42.2071829099392 42.2071829099392 42.2071829099392 1 1 0 5601 16.4303030303034 -1.35479034158766 0.402268657915965
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5268 M493T3028 M493.1T50.5 493.100006103516 493.100006103516 493.100006103516 50.4714835485146 50.4714835485146 50.4714835485146 1 1 0 2120 3.03032696838303 -0.797527630807302 0.548474785583101
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5269 M493T3126 M493.1T52.1 493.100006103516 493.100006103516 493.100006103516 52.0962548510601 52.0962548510601 52.0962548510601 1 0 1 5080 1.08713258974321 0.0759701672310712 0.94639945779638
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5270 M493T3660 M493.2T61 493.200012207031 493.200012207031 493.200012207031 60.994317843989 60.994317843989 60.994317843989 1 1 0 [M-H-NH3]- 511.233 2 3.97997892024812 -3.28112937989527 0.134897766847463
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5271 M493T4201 M493.2T70 493.200012207031 493.200012207031 493.200012207031 70.0115045250293 70.0115045250293 70.0115045250293 1 1 0 5701 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5272 M493T3493 M493.3T58.2 493.300018310547 493.300018310547 493.300018310547 58.2230065956294 58.2004056272937 58.2456075639651 2 2 0 1804 6.39847056364852 -3.0379312596413 0.108777784638231
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5273 M493T3739 M493.3T62.3 493.300018310547 493.300018310547 493.300018310547 62.3233894012569 62.3233894012569 62.3233894012569 1 0 1 130 1.03643650862743 0.0526899542876306 0.966247944442648
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5274 M493T3177 M493.3T52.9 493.300018310547 493.300018310547 493.300018310547 52.947766074638 52.947766074638 52.947766074638 1 1 0 786 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5275 M493T2554 M493.3T42.6 493.300018310547 493.300018310547 493.300018310547 42.5747778044834 42.5747778044834 42.5747778044834 1 0 1 3083 Inf 2.66332224300442 0.228663286380181
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5276 M493T2970 M493.3T49.5 493.300018310547 493.300018310547 493.300018310547 49.5051826072052 49.5051826072052 49.5051826072052 1 0 1 3273 Inf 1.49350688347252 0.375609796193781
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5277 M493T4019 M493.4T67 493.399993896484 493.399993896484 493.399993896484 66.9842119111925 66.8862753666818 67.0821484557032 2 2 0 185 4.38276089027399 -3.3821593775716 0.182873454184147
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5278 M493T3764 M493.4T62.7 493.399993896484 493.399993896484 493.399993896484 62.7261187804133 62.7261187804133 62.7261187804133 1 1 0 1003 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5279 M493T4046 M493.4T67.4 493.399993896484 493.399993896484 493.399993896484 67.4407973223917 67.4407973223917 67.4407973223917 1 1 0 4122 3.24763391566392 -0.661437210557831 0.613188261519555
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5280 M493T3990 M493.4T66.5 493.399993896484 493.399993896484 493.399993896484 66.5065131785021 66.5065131785021 66.5065131785021 1 1 0 4505 1.1432283799484 -0.0942991981717487 0.933602633375584
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5281 M493T2542 M493.4T42.4 493.399993896484 493.399993896484 493.399993896484 42.3661111378167 42.3661111378167 42.3661111378167 1 0 1 5549 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5282 M494T4055 M493.5T67.6 493.5 493.5 493.5 67.57911300379 67.57911300379 67.57911300379 1 1 0 3432 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5283 M494T3922 M493.5T65.4 493.5 493.5 493.5 65.3707090592266 65.3707090592266 65.3707090592266 1 0 1 3011 Inf 1.92848272606107 0.304540581896314
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5284 M494T2718 M493.6T45.3 493.600006103516 493.600006103516 493.600006103516 45.3074811943587 45.3074811943587 45.3074811943587 1 0 1 2510 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5285 M494T2925 M493.8T48.7 493.800018310547 493.800018310547 493.800018310547 48.7487567967668 48.7487567967668 48.7487567967668 1 0 1 [M+Cl]- 458.83 60 1.90683122083903 0.421167161411581 0.725762790841859
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5286 M494T2930 M493.9T48.8 493.899993896484 493.899993896484 493.899993896484 48.8315744781086 48.8315744781086 48.8315744781086 1 1 0 3616 5.34849122726118 -0.825427378350401 0.552794399522036
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5287 M494T2897 M494T48.3 494 494 494 48.2821076280088 48.2821076280088 48.2821076280088 1 0 1 3837 1.19147358425488 0.147251738521576 0.901626435551701
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5288 M494T2525 M494T42.1 494 494 494 42.0816381126804 42.0816381126804 42.0816381126804 1 1 0 [M-H-C2H2]- 521.011 [M-H-CO]- 523.006 5042 2.58816749549096 -1.04592720460154 0.407014682212426
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5289 M494T3329 M494T55.5 494 494 494 55.4850204808216 55.4850204808216 55.4850204808216 1 0 1 1086 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5290 M494T2950 M494T49.2 494 494 494 49.1638110899715 49.1638110899715 49.1638110899715 1 0 1 3174 1.85181466087084 -0.40474510504837 0.734843327950394
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5291 M494T3979 M494.1T66.3 494.100006103516 494.100006103516 494.100006103516 66.3233340739378 66.244819432512 66.4018487153635 2 1 0 1984 Inf -1.34144544326837 0.407813587110231
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5292 M494T3296 M494.1T54.9 494.100006103516 494.100006103516 494.100006103516 54.9296169402431 54.9296169402431 54.9296169402431 1 1 0 2608 1.31113418665361 -0.188684971582911 0.868819841072191
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5293 M494T3837 M494.1T63.9 494.100006103516 494.100006103516 494.100006103516 63.9452645690482 63.9452645690482 63.9452645690482 1 1 0 69 Inf -1.22877168722085 0.434882382695262
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5294 M494T3082 M494.1T51.4 494.100006103516 494.100006103516 494.100006103516 51.3695785153012 51.3695785153012 51.3695785153012 1 1 0 3528 33.0363502788653 -0.969286357899648 0.509692103381545
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5295 M494T3404 M494.1T56.7 494.100006103516 494.100006103516 494.100006103516 56.7332509212034 56.7332509212034 56.7332509212034 1 0 1 1302 15.7154957763914 0.934478612615325 0.520548285767884
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5296 M494T3424 M494.2T57.1 494.200012207031 494.200012207031 494.200012207031 57.0662814810453 56.9837369964744 57.1242122689313 4 2 2 [96][M]- [M+Cl]- 459.229 11 1.07082059436934 0.579137785722882 0.637012847730718
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5297 M494T4466 M494.2T74.4 494.200012207031 494.200012207031 494.200012207031 74.4341191816509 74.4341191816509 74.4341191816509 1 0 1 6238 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5298 M494T2663 M494.2T44.4 494.200012207031 494.200012207031 494.200012207031 44.3859108933395 44.3859108933395 44.3859108933395 1 0 1 2268 6.03220729661818 0.832551149578801 0.5571108118729
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5299 M494T3069 M494.3T51.2 494.300018310547 494.300018310547 494.300018310547 51.1518080429633 51.1518080429633 51.1518080429633 1 1 0 48 2.32154834054978 0.52281335160669 0.673535787750729
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5300 M494T2868 M494.3T47.8 494.300018310547 494.300018310547 494.300018310547 47.8044724200327 47.8044724200327 47.8044724200327 1 1 0 3653 2.27361050103935 -1.24223172368147 0.416646844636295
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5301 M494T2680 M494.3T44.7 494.300018310547 494.300018310547 494.300018310547 44.6609710624358 44.6609710624358 44.6609710624358 1 0 1 6 11.1184474977108 1.71654921154856 0.335480835429322
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5302 M494T4303 M494.3T71.7 494.300018310547 494.300018310547 494.300018310547 71.7215358483176 71.7215358483176 71.7215358483176 1 0 1 6192 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5303 M494T3845 M494.4T64.1 494.399993896484 494.399993896484 494.399993896484 64.0829532534703 64.0829532534703 64.0829532534703 1 0 1 [M-H]- 495.406 21 1.25981015447738 0.190963624234499 0.873637678217794
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5304 M494T2641 M494.4T44 494.399993896484 494.399993896484 494.399993896484 44.020973097144 44.020973097144 44.020973097144 1 1 0 5669 2.06103130853751 0.463166873473161 0.703345634087408
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5305 M494T2947 M494.4T49.1 494.399993896484 494.399993896484 494.399993896484 49.1120182882023 49.1120182882023 49.1120182882023 1 0 1 3195 Inf 1.12418021133017 0.462825328385763
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5306 M494T4474 M494.5T74.6 494.5 494.5 494.5 74.5645358483176 74.5645358483176 74.5645358483176 1 0 1 6100 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5307 M494T4133 M494.5T68.9 494.5 494.5 494.5 68.891533101347 68.891533101347 68.891533101347 1 0 1 [M+Cl]- 459.535 [M-H]- 495.51 99 1.17976575339913 0.116235888664515 0.918336567868171
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5308 M495T2589 M494.7T43.2 494.700012207031 494.700012207031 494.700012207031 43.1510381126804 43.1510381126804 43.1510381126804 1 1 0 2901 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5309 M495T4215 M494.7T70.3 494.700012207031 494.700012207031 494.700012207031 70.2524704926843 70.2524704926843 70.2524704926843 1 0 1 5332 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5310 M495T2530 M494.8T42.2 494.800018310547 494.800018310547 494.800018310547 42.1716180813334 42.1716180813334 42.1716180813334 1 0 1 5612 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5311 M495T2971 M494.9T49.5 494.899993896484 494.899993896484 494.899993896484 49.517117511862 49.517117511862 49.517117511862 1 1 0 3238 3.12160316691338 -0.647251317222439 0.618826642129838
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5312 M495T3465 M495T57.8 495 495 495 57.7519773435038 57.7519773435038 57.7519773435038 1 1 0 1283 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5313 M495T3357 M495T56 495 495 495 55.9513227205548 55.9513227205548 55.9513227205548 1 1 0 689 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5314 M495T3514 M495T58.6 495 495 495 58.568217652388 58.568217652388 58.568217652388 1 1 0 417 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5315 M495T3887 M495.1T64.8 495.100006103516 495.100006103516 495.100006103516 64.7879859455199 64.7879859455199 64.7879859455199 1 1 0 2254 3.13712081978584 -0.856926803144087 0.515197082668861
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5316 M495T3789 M495.1T63.1 495.100006103516 495.100006103516 495.100006103516 63.1419887294178 63.1419887294178 63.1419887294178 1 1 0 4457 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5317 M495T3447 M495.1T57.4 495.100006103516 495.100006103516 495.100006103516 57.4459985873306 57.4459985873306 57.4459985873306 1 0 1 2933 1.15892641543745 -0.103824466660173 0.926961468674463
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5318 M495T3422 M495.2T57 495.200012207031 495.200012207031 495.200012207031 57.0299152368092 57.0100120381423 57.0498184354762 2 1 1 [96][M+1]- 11 1.17643559347131 0.538669752326263 0.672690318811942
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5319 M495T3681 M495.2T61.4 495.200012207031 495.200012207031 495.200012207031 61.3570085782962 61.3570085782962 61.3570085782962 1 0 1 609 5.88530114531968 0.97199775819238 0.508929120726555
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5320 M495T3445 M495.3T57.4 495.300018310547 495.300018310547 495.300018310547 57.4163279271016 57.4163279271016 57.4163279271016 1 1 0 [M-H-C4H4]- 548.333 2916 2.32089005163416 0.522677938483185 0.67360076422747
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5321 M495T2675 M495.3T44.6 495.300018310547 495.300018310547 495.300018310547 44.5817888056605 44.5817888056605 44.5817888056605 1 0 1 629 Inf 15.7599939803185 0.0403405902052152
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5322 M495T3416 M495.3T56.9 495.300018310547 495.300018310547 495.300018310547 56.9277498648291 56.9277498648291 56.9277498648291 1 0 1 883 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5323 M495T3851 M495.3T64.2 495.300018310547 495.300018310547 495.300018310547 64.1880616961356 64.1880616961356 64.1880616961356 1 0 1 [M+Cl]- 460.331 21 1.23055861191037 -0.271227621696728 0.818268633038406
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5324 M495T2738 M495.3T45.6 495.300018310547 495.300018310547 495.300018310547 45.6332232898618 45.6332232898618 45.6332232898618 1 1 0 4435 1.63510771940443 -0.331362076222039 0.777493638294303
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5325 M495T4132 M495.4T68.9 495.399993896484 495.399993896484 495.399993896484 68.8590594550222 68.8323586010873 68.8857603089572 2 2 0 [M-H-C3H3]- 535.433 [M-H-C2H4O]- 540.429 [M-H-CONH2]- 540.429 [M-H-C2H4O2]- 556.43 23 3.03436658368 -1.60499915608931 0.352721665826182
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5326 M495T2818 M495.4T47 495.399993896484 495.399993896484 495.399993896484 46.9617186710769 46.9617186710769 46.9617186710769 1 1 0 3327 1.34423393854114 0.303396418170536 0.790417724972323
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5327 M495T3918 M495.4T65.3 495.399993896484 495.399993896484 495.399993896484 65.3000661202654 65.3000661202654 65.3000661202654 1 0 1 63 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5328 M495T3223 M495.4T53.7 495.399993896484 495.399993896484 495.399993896484 53.7100648380425 53.7100648380425 53.7100648380425 1 0 1 4328 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5329 M495T4011 M495.4T66.8 495.399993896484 495.399993896484 495.399993896484 66.8424824597417 66.8424824597417 66.8424824597417 1 0 1 5231 Inf 1 0.5
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5330 M495T4208 M495.4T70.1 495.399993896484 495.399993896484 495.399993896484 70.1277741748344 70.1277741748344 70.1277741748344 1 0 1 4938 Inf 1.20776991891009 0.440264599651566
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5331 M495T2969 M495.4T49.5 495.399993896484 495.399993896484 495.399993896484 49.4912576707445 49.4912576707445 49.4912576707445 1 1 0 72 2.01819562492638 0.452057765215303 0.709161146158044
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5332 M496T2810 M495.9T46.8 495.899993896484 495.899993896484 495.899993896484 46.8293429169754 46.8293429169754 46.8293429169754 1 1 0 5749 Inf -2.52469565290488 0.24008768596272
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5333 M496T2852 M496T47.5 496 496 496 47.5251479685 47.5251479685 47.5251479685 1 0 1 6072 1.47729391578247 0.323086162445484 0.801056127041555
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5334 M496T3917 M496.1T65.3 496.100006103516 496.100006103516 496.100006103516 65.2811664369697 65.2811664369697 65.2811664369697 1 1 0 5145 1.87342797474722 -0.576362377702038 0.623438983464201
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5335 M496T4069 M496.1T67.8 496.100006103516 496.100006103516 496.100006103516 67.8092446566765 67.8092446566765 67.8092446566765 1 1 0 3853 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5336 M496T3551 M496.1T59.2 496.100006103516 496.100006103516 496.100006103516 59.18574987501 59.18574987501 59.18574987501 1 0 1 2355 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5337 M496T3393 M496.2T56.5 496.200012207031 496.200012207031 496.200012207031 56.5465510687635 56.4397902940844 56.6702028061549 4 2 2 [97][M]- 3 1.00422994781953 -0.0766156544925766 0.947965697976014
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5338 M496T3332 M496.2T55.5 496.200012207031 496.200012207031 496.200012207031 55.5260797003164 55.5127172407738 55.539442159859 2 1 1 [98][M]- [M-H]- 497.207 15 1.03222092650553 0.584325299387034 0.653923063640945
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5339 M496T3320 M496.2T55.3 496.200012207031 496.200012207031 496.200012207031 55.3255954654842 55.3242954747926 55.3268954561759 2 1 1 16 1.03182179453889 0.597205946932251 0.612093451838857
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5340 M496T2918 M496.3T48.6 496.300018310547 496.300018310547 496.300018310547 48.6251346470619 48.6251346470619 48.6251346470619 1 1 0 [M-H-CH2O]- 527.325 [M-H-H4O2]- 533.331 56 1.86224096145368 -0.459688486004658 0.723967842300447
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5341 M496T2642 M496.3T44 496.300018310547 496.300018310547 496.300018310547 44.0410062922056 44.0410062922056 44.0410062922056 1 0 1 5670 6.96636813764371 0.847763341549929 0.54775594992316
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5342 M496T2633 M496.4T43.9 496.399993896484 496.399993896484 496.399993896484 43.8823697168634 43.8823697168634 43.8823697168634 1 0 1 2632 5.77058053570827 6.65740823009704 0.0640902165617745
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5343 M496T2850 M496.4T47.5 496.399993896484 496.399993896484 496.399993896484 47.4984694680838 47.4984694680838 47.4984694680838 1 0 1 5771 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5344 M496T2722 M496.4T45.4 496.399993896484 496.399993896484 496.399993896484 45.3621905128769 45.3621905128769 45.3621905128769 1 1 0 2511 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5345 M497T2892 M496.9T48.2 496.899993896484 496.899993896484 496.899993896484 48.1938269168166 48.1938269168166 48.1938269168166 1 1 0 3838 1.06276129959849 -0.0578575936853269 0.962647298283117
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5346 M497T2840 M496.9T47.3 496.899993896484 496.899993896484 496.899993896484 47.3356042620445 47.3356042620445 47.3356042620445 1 1 0 4644 7.11548764314693 -0.851097547409433 0.54669125803647
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5347 M497T3941 M497T65.7 497 497 497 65.6861042988527 65.6861042988527 65.6861042988527 1 0 1 4161 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5348 M497T2789 M497T46.5 497 497 497 46.4843534177973 46.4843534177973 46.4843534177973 1 1 0 925 4.98143223096141 -0.783620995845669 0.568785420988282
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5349 M497T3974 M497T66.2 497 497 497 66.2380440769863 66.2380440769863 66.2380440769863 1 0 1 2055 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5350 M497T3729 M497.1T62.1 497.100006103516 497.100006103516 497.100006103516 62.1455248273659 62.1287888582799 62.1622607964519 2 2 0 [M-2H+Na]- 476.112 84 4.58350792750528 -0.987924337753212 0.492343021573496
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5351 M497T3352 M497.1T55.9 497.100006103516 497.100006103516 497.100006103516 55.8735923345796 55.8735923345796 55.8735923345796 1 1 0 688 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5352 M497T3387 M497.2T56.5 497.200012207031 497.200012207031 497.200012207031 56.454099757565 56.4397902940844 56.4684092210456 2 1 1 [97][M+1]- 3 1.02986266395378 -0.173940511374206 0.883081218509395
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5353 M497T3331 M497.2T55.5 497.200012207031 497.200012207031 497.200012207031 55.5127172407738 55.3268954561759 55.539442159859 3 1 2 [98][M+1]- 15 1.05366493019732 1.19396670722583 0.398437433354869
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5354 M497T3400 M497.2T56.7 497.200012207031 497.200012207031 497.200012207031 56.673254578736 56.6506000648704 56.6959090926017 2 1 1 [99][M]- 20 1.00200696734273 0.0354996197234865 0.976052422544347
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5355 M497T3496 M497.2T58.3 497.200012207031 497.200012207031 497.200012207031 58.2713130322852 58.2713130322852 58.2713130322852 1 1 0 3510 1.05651795902556 -0.181156511228607 0.87525520289829
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5356 M497T2791 M497.2T46.5 497.200012207031 497.200012207031 497.200012207031 46.5228740308843 46.5228740308843 46.5228740308843 1 1 0 892 1.22878043003554 -0.229772309001456 0.840018687462807
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5357 M497T3682 M497.3T61.4 497.300018310547 497.300018310547 497.300018310547 61.3634922984121 61.3634922984121 61.3634922984121 1 1 0 5 2.8230653302058 -0.608714048473018 0.634734387463409
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5358 M497T3275 M497.3T54.6 497.300018310547 497.300018310547 497.300018310547 54.5903762732908 54.5903762732908 54.5903762732908 1 1 0 [M-H-C2H2]- 524.311 145 5.97753210342634 -0.821293420614961 0.556297104659705
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5359 M497T2927 M497.3T48.8 497.300018310547 497.300018310547 497.300018310547 48.7797731624799 48.7797731624799 48.7797731624799 1 1 0 2865 Inf -1.21452733824936 0.438520731216797
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5360 M497T2575 M497.3T42.9 497.300018310547 497.300018310547 497.300018310547 42.9138444711501 42.9138444711501 42.9138444711501 1 0 1 4076 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5361 M497T3961 M497.4T66 497.399993896484 497.399993896484 497.399993896484 66.0092618412701 66.0092618412701 66.0092618412701 1 1 0 307 1.11431849596087 -0.0763531929086584 0.946160113660687
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5362 M498T3109 M498T51.8 498 498 498 51.808915566138 51.808915566138 51.808915566138 1 1 0 3145 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5363 M498T2673 M498T44.6 498 498 498 44.5542585581039 44.5542585581039 44.5542585581039 1 1 0 4053 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5364 M498T3503 M498.1T58.4 498.100006103516 498.100006103516 498.100006103516 58.3779645408911 58.3779645408911 58.3779645408911 1 0 1 3381 1.06886923555764 0.0544258171404158 0.962323613530919
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5365 M498T3400 M498.2T56.7 498.200012207031 498.200012207031 498.200012207031 56.6604014355126 56.6506000648704 56.6702028061549 2 1 1 [99][M+1]- 20 1.05576469812277 1.69029014432858 0.287828496667954
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5366 M498T3386 M498.2T56.4 498.200012207031 498.200012207031 498.200012207031 56.4408366807408 56.4397902940844 56.4418830673972 2 1 1 25 1.00983464310636 0.0437603297680301 0.969164230321748
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5367 M498T3668 M498.3T61.1 498.300018310547 498.300018310547 498.300018310547 61.1400389252778 61.1400389252778 61.1400389252778 1 0 1 451 4.31947940141491 0.748688895754889 0.580802670801275
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5368 M498T3924 M498.3T65.4 498.300018310547 498.300018310547 498.300018310547 65.3969933301938 65.3969933301938 65.3969933301938 1 0 1 [100][M]- 3012 19.0967382210209 0.952637741141216 0.515436977245984
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5369 M498T3874 M498.3T64.6 498.300018310547 498.300018310547 498.300018310547 64.5679272183167 64.5679272183167 64.5679272183167 1 0 1 [M-H-H2O]- 517.325 55 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5370 M498T4182 M498.3T69.7 498.300018310547 498.300018310547 498.300018310547 69.7067748896139 69.7067748896139 69.7067748896139 1 0 1 6014 2.82858540952623 0.609498150806434 0.634401829157188
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5371 M498T3459 M498.3T57.7 498.300018310547 498.300018310547 498.300018310547 57.6571398962069 57.6571398962069 57.6571398962069 1 0 1 1284 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5372 M498T3644 M498.3T60.7 498.300018310547 498.300018310547 498.300018310547 60.7256363111377 60.7256363111377 60.7256363111377 1 1 0 1542 Inf -1.36801462321055 0.401847706248917
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5373 M498T4040 M498.4T67.3 498.399993896484 498.399993896484 498.399993896484 67.3353039218979 67.3353039218979 67.3353039218979 1 1 0 5311 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5374 M498T3942 M498.4T65.7 498.399993896484 498.399993896484 498.399993896484 65.6919835399717 65.6919835399717 65.6919835399717 1 0 1 4162 9.52756333388637 0.890151703694607 0.534361457006467
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5375 M498T3881 M498.5T64.7 498.5 498.5 498.5 64.6911140182902 64.6911140182902 64.6911140182902 1 1 0 2255 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5376 M499T2947 M498.9T49.1 498.899993896484 498.899993896484 498.899993896484 49.1229785251719 49.0910170193413 49.1549400310025 2 2 0 [M+Cl]- 463.933 [M-H]- 499.909 70 Inf -2.95764954660258 0.207563556848835
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5377 M499T2878 M498.9T48 498.899993896484 498.899993896484 498.899993896484 47.9729847060029 47.9729847060029 47.9729847060029 1 1 0 4740 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5378 M499T3157 M499T52.6 499 499 499 52.6162377405476 52.6162377405476 52.6162377405476 1 1 0 840 Inf -1 0.5
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5379 M499T3209 M499T53.5 499 499 499 53.4773043729694 53.4773043729694 53.4773043729694 1 1 0 4329 1.12498514260386 -0.0830362217320941 0.941477358018382
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lecorguille
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5380 M499T4122 M499T68.7 499 499 499 68.7011070246547 68.7011070246547 68.7011070246547 1 1 0 1741 3.12036299739936 -0.647106125117215 0.618884939833756
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5381 M499T2999 M499T50 499 499 499 49.9821277763062 49.9821277763062 49.9821277763062 1 1 0 [3M-H+Cl]2- 321.336 1822 1.53979366589884 -0.501243020017001 0.687320136709207
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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diff changeset
5382 M499T3899 M499.1T65 499.100006103516 499.100006103516 499.100006103516 64.9864741499605 64.9864741499605 64.9864741499605 1 0 1 4846 Inf 1.07768005327315 0.476209217325873
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5383 M499T2526 M499.1T42.1 499.100006103516 499.100006103516 499.100006103516 42.1077214460137 42.1077214460137 42.1077214460137 1 1 0 5957 1.02531613679352 -0.0936478835076941 0.938495423399739
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5384 M499T4177 M499.2T69.6 499.200012207031 499.200012207031 499.200012207031 69.6164962810316 69.6164962810316 69.6164962810316 1 1 0 4406 4.98554983328988 -3.46743175049488 0.170597513251742
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5385 M499T3727 M499.2T62.1 499.200012207031 499.200012207031 499.200012207031 62.1099996292991 62.1099996292991 62.1099996292991 1 1 0 84 6.59470420200755 -1.02060054713589 0.491232929063694
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5386 M499T2921 M499.3T48.7 499.300018310547 499.300018310547 499.300018310547 48.6814357231621 48.6398626568051 48.7230087895191 2 1 1 2875 1.95992294235019 0.744823159756152 0.536798844603096
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5387 M499T3321 M499.3T55.4 499.300018310547 499.300018310547 499.300018310547 55.3532038820237 55.3532038820237 55.3532038820237 1 0 1 1131 3.85337304187951 0.716745035761366 0.592232721905598
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5388 M499T3309 M499.3T55.2 499.300018310547 499.300018310547 499.300018310547 55.1533222874907 55.1533222874907 55.1533222874907 1 0 1 [M+Cl]- 464.333 4 4.46914604990408 0.757512052447052 0.577722732172903
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5389 M499T4100 M499.3T68.3 499.300018310547 499.300018310547 499.300018310547 68.3339690100793 68.3339690100793 68.3339690100793 1 1 0 216 3.84890674472587 -0.900266788347485 0.524589685607316
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5390 M499T3453 M499.3T57.6 499.300018310547 499.300018310547 499.300018310547 57.5526018361723 57.5526018361723 57.5526018361723 1 0 1 1285 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5391 M499T3478 M499.3T58 499.300018310547 499.300018310547 499.300018310547 57.960487848719 57.960487848719 57.960487848719 1 0 1 [M-H-NaOH]- 540.305 31 6.5386916312322 1.50561472793252 0.348366535326221
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5392 M499T3924 M499.3T65.4 499.300018310547 499.300018310547 499.300018310547 65.3969933301938 65.3969933301938 65.3969933301938 1 0 1 [100][M+1]- 63 8.50821400146676 0.910528317730916 0.527657522287565
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5393 M499T3736 M499.3T62.3 499.300018310547 499.300018310547 499.300018310547 62.2670501867713 62.2670501867713 62.2670501867713 1 1 0 3575 3.19326759096579 -0.888854049052205 0.510565030764648
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5394 M499T2542 M499.3T42.4 499.300018310547 499.300018310547 499.300018310547 42.3661111378167 42.3661111378167 42.3661111378167 1 0 1 5550 Inf 28.8321678321678 0.0220713436297508
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5395 M499T3476 M499.4T57.9 499.399993896484 499.399993896484 499.399993896484 57.9403740265902 57.9403740265902 57.9403740265902 1 0 1 1805 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5396 M499T3935 M499.4T65.6 499.399993896484 499.399993896484 499.399993896484 65.5809837470753 65.5809837470753 65.5809837470753 1 0 1 4163 8.44404836254784 0.997530488413499 0.496078222187927
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5397 M499T4114 M499.4T68.6 499.399993896484 499.399993896484 499.399993896484 68.5699403149031 68.5699403149031 68.5699403149031 1 1 0 2312 8.151431141351 -2.13875989715838 0.244965510971886
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
5398 M499T2594 M499.4T43.2 499.399993896484 499.399993896484 499.399993896484 43.2410014146668 43.2410014146668 43.2410014146668 1 0 1 2902 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5399 M500T2884 M499.5T48.1 499.5 499.5 499.5 48.0624165737438 48.0624165737438 48.0624165737438 1 0 1 5499 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5400 M500T2692 M499.8T44.9 499.800018310547 499.800018310547 499.800018310547 44.8716358855293 44.8716358855293 44.8716358855293 1 1 0 5873 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5401 M500T3741 M499.9T62.3 499.899993896484 499.899993896484 499.899993896484 62.3458634953877 62.3458634953877 62.3458634953877 1 1 0 1072 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5402 M500T3940 M499.9T65.7 499.899993896484 499.899993896484 499.899993896484 65.6685911472988 65.6685911472988 65.6685911472988 1 1 0 4164 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5403 M500T3853 M500T64.2 500 500 500 64.2177693629018 64.2177693629018 64.2177693629018 1 1 0 1401 Inf -1 0.5
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lecorguille
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5404 M500T3904 M500T65.1 500 500 500 65.0604157244199 65.0604157244199 65.0604157244199 1 1 0 4789 3.21169579855962 -1.07892275495562 0.418712376651118
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5405 M500T4098 M500T68.3 500 500 500 68.3077506242246 68.3077506242246 68.3077506242246 1 1 0 5106 10.1271210118416 -0.896893270190421 0.532253181802648
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5406 M500T3614 M500T60.2 500 500 500 60.2273927664993 60.2273927664993 60.2273927664993 1 1 0 2590 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5407 M500T3022 M500T50.4 500 500 500 50.3678769944329 50.3678769944329 50.3678769944329 1 1 0 2152 7.36685920328729 -1.36485088080764 0.387664818445836
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5408 M500T3775 M500T62.9 500 500 500 62.920819627745 62.920819627745 62.920819627745 1 0 1 5856 3.27647161549327 0.93808040395893 0.481864896928696
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5409 M500T3059 M500T51 500 500 500 50.9770156554468 50.9770156554468 50.9770156554468 1 0 1 209 Inf 1 0.5
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5410 M500T3531 M500T58.8 500 500 500 58.8455724550566 58.8455724550566 58.8455724550566 1 0 1 1971 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5411 M500T3040 M500.1T50.7 500.100006103516 500.100006103516 500.100006103516 50.6696220907399 50.599930620161 50.7393135613188 2 1 1 71 1.90309759168398 2.19383718208702 0.221932502878995
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5412 M500T2800 M500.2T46.7 500.200012207031 500.200012207031 500.200012207031 46.6739394463967 46.6423139337858 46.6843596591052 4 2 2 [M+Cl]- 465.229 [M-H]- 501.211 98 1.15235506928953 -0.175002139823713 0.877486439999211
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5413 M500T4185 M500.2T69.7 500.200012207031 500.200012207031 500.200012207031 69.7497908732843 69.7497908732843 69.7497908732843 1 1 0 6015 1.64606618714079 -0.404952040525559 0.726298079015568
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5414 M500T3938 M500.2T65.6 500.200012207031 500.200012207031 500.200012207031 65.6335356587046 65.6335356587046 65.6335356587046 1 0 1 4165 4.20271278733234 0.992059081805843 0.478504714062592
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5415 M500T4077 M500.3T67.9 500.300018310547 500.300018310547 500.300018310547 67.9451753805342 67.9451753805342 67.9451753805342 1 1 0 3902 15.2105015414488 -5.50639821498304 0.0699103373188514
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5416 M500T2908 M500.3T48.5 500.300018310547 500.300018310547 500.300018310547 48.4711114394429 48.4711114394429 48.4711114394429 1 1 0 [M+Cl]- 465.335 [M-H]- 501.31 [M-H-C2H2]- 527.325 [M-H-CH4O]- 533.331 56 1.00235061401028 -0.00166018273692094 0.998826075073417
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5417 M500T2866 M500.4T47.8 500.399993896484 500.399993896484 500.399993896484 47.7662839946092 47.7662839946092 47.7662839946092 1 0 1 87 Inf 14.5488966855583 0.0436885411424563
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5418 M500T3832 M500.4T63.9 500.399993896484 500.399993896484 500.399993896484 63.8727624347024 63.8727624347024 63.8727624347024 1 0 1 3357 Inf 5.92126704875668 0.106509105209827
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5419 M500T4184 M500.4T69.7 500.399993896484 500.399993896484 500.399993896484 69.7330875131631 69.7330875131631 69.7330875131631 1 0 1 6016 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5420 M500T3794 M500.4T63.2 500.399993896484 500.399993896484 500.399993896484 63.2328061758938 63.2328061758938 63.2328061758938 1 0 1 5406 14.1460747878433 0.92699569988847 0.522875677944752
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5421 M500T4031 M500.5T67.2 500.5 500.5 500.5 67.1781432037668 67.1781432037668 67.1781432037668 1 0 1 3773 Inf 1 0.5
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5422 M501T3842 M500.9T64 500.899993896484 500.899993896484 500.899993896484 64.0342390219633 64.0342390219633 64.0342390219633 1 1 0 1402 Inf -1 0.5
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5423 M501T3568 M500.9T59.5 500.899993896484 500.899993896484 500.899993896484 59.4625866472404 59.4625866472404 59.4625866472404 1 1 0 1678 Inf -1 0.5
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5424 M501T2956 M501T49.3 501 501 501 49.26855457368 49.26855457368 49.26855457368 1 0 1 70 1.39273012936145 0.280537317198791 0.825151707168426
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5425 M501T3310 M501T55.2 501 501 501 55.1666207548031 55.1666207548031 55.1666207548031 1 1 0 547 3.29420871196166 -1.1726848406127 0.384232401458198
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5426 M501T2930 M501T48.8 501 501 501 48.8260290949762 48.8260290949762 48.8260290949762 1 0 1 [M+Cl]- 466.033 3615 1.11793451945902 0.102216094322184 0.933656413412344
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5427 M501T3420 M501T57 501 501 501 57.0052840854445 57.0052840854445 57.0052840854445 1 0 1 884 Inf 1 0.5
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5428 M501T3396 M501T56.6 501 501 501 56.5931346336967 56.5931346336967 56.5931346336967 1 0 1 3 Inf 1 0.5
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5429 M501T2797 M501.1T46.6 501.100006103516 501.100006103516 501.100006103516 46.6168185860427 46.6168185860427 46.6168185860427 1 1 0 3946 Inf -1.99721536969833 0.295522180762639
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5430 M501T3489 M501.2T58.1 501.200012207031 501.200012207031 501.200012207031 58.1464333812605 58.1464333812605 58.1464333812605 1 0 1 31 1.1096538952414 -0.208759209419009 0.855951351937993
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5431 M501T3085 M501.3T51.4 501.300018310547 501.300018310547 501.300018310547 51.4209497918043 51.4209497918043 51.4209497918043 1 1 0 3529 Inf -1 0.5
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5432 M501T3596 M501.3T59.9 501.300018310547 501.300018310547 501.300018310547 59.9412324658424 59.9412324658424 59.9412324658424 1 1 0 1438 4.19260355053098 -1.00295755907961 0.474153376006455
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5433 M501T3389 M501.3T56.5 501.300018310547 501.300018310547 501.300018310547 56.4904722617241 56.4904722617241 56.4904722617241 1 0 1 494 1.38164600252133 -0.441474915972243 0.704056714626118
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5434 M502T3752 M501.5T62.5 501.5 501.5 501.5 62.5271535665815 62.5271535665815 62.5271535665815 1 0 1 1073 Inf 1 0.5
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5435 M502T3918 M501.5T65.3 501.5 501.5 501.5 65.2982336596082 65.2982336596082 65.2982336596082 1 1 0 3013 Inf -1 0.5
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5436 M502T4023 M501.5T67 501.5 501.5 501.5 67.0484207620529 67.0484207620529 67.0484207620529 1 0 1 5581 Inf 1 0.5
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5437 M502T4317 M502T71.9 502 502 502 71.9451457405337 71.9451457405337 71.9451457405337 1 0 1 345 Inf 1.46241041700769 0.381826897278902
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5438 M502T3858 M502T64.3 502 502 502 64.2965273024001 64.2965273024001 64.2965273024001 1 1 0 1403 2.88678117482073 -0.617588413138315 0.630992465732977
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5439 M502T2594 M502T43.2 502 502 502 43.2410014146668 43.2410014146668 43.2410014146668 1 0 1 [M+Cl]- 467.033 61 2.61176470588246 0.750182520608108 0.586934884427916
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5440 M502T4199 M502T70 502 502 502 69.9853330402746 69.9853330402746 69.9853330402746 1 1 0 6084 3.44049694689967 -2.15770891698537 0.202559765785585
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5441 M502T3161 M502.1T52.7 502.100006103516 502.100006103516 502.100006103516 52.6898613558095 52.6112967067067 52.7581381428276 4 2 2 [101][M]- [M+Cl]- 467.135 10 1.10928484754443 0.764296224790908 0.582396706226495
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5442 M502T4323 M502.1T72 502.100006103516 502.100006103516 502.100006103516 72.0494624072004 72.0494624072004 72.0494624072004 1 0 1 349 Inf 1 0.5
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5443 M502T2959 M502.1T49.3 502.100006103516 502.100006103516 502.100006103516 49.3210209024512 49.3210209024512 49.3210209024512 1 0 1 3274 11.2678068205321 3.51246476567602 0.134467182127835
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5444 M502T4203 M502.1T70 502.100006103516 502.100006103516 502.100006103516 70.0462876640232 70.0462876640232 70.0462876640232 1 0 1 5702 1.73652279532537 0.785782556614715 0.549040926798811
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5445 M502T2987 M502.1T49.8 502.100006103516 502.100006103516 502.100006103516 49.7755836692455 49.7755836692455 49.7755836692455 1 1 0 4633 1.22518015802784 -0.142386071226666 0.900285695463936
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5446 M502T3026 M502.2T50.4 502.200012207031 502.200012207031 502.200012207031 50.4369747303138 50.4017565928705 50.4721928677572 2 1 1 [102][M]- 39 2.44863637480947 0.761566766293708 0.580382467374662
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5447 M502T4294 M502.2T71.6 502.200012207031 502.200012207031 502.200012207031 71.5650358483176 71.5650358483176 71.5650358483176 1 0 1 6144 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5448 M502T3184 M502.2T53.1 502.200012207031 502.200012207031 502.200012207031 53.0741227792108 53.0741227792108 53.0741227792108 1 1 0 2166 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5449 M502T2927 M502.3T48.8 502.300018310547 502.300018310547 502.300018310547 48.7797731624799 48.7797731624799 48.7797731624799 1 1 0 [M-H]- 503.312 60 3.51766904167149 -0.709704376598554 0.592416809047427
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5450 M502T3888 M502.4T64.8 502.399993896484 502.399993896484 502.399993896484 64.7965447309627 64.7965447309627 64.7965447309627 1 1 0 2256 Inf -1 0.5
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5451 M502T2923 M502.4T48.7 502.399993896484 502.399993896484 502.399993896484 48.7230087895191 48.7230087895191 48.7230087895191 1 0 1 2876 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5452 M503T4184 M503T69.7 503 503 503 69.7351311462502 69.6450903000255 69.8251719924749 2 2 0 6017 Inf -23.0772365126388 0.0275692349189105
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5453 M503T2889 M503T48.2 503 503 503 48.1569973545779 48.1569973545779 48.1569973545779 1 1 0 [M-2H+Na]- 482.029 [M-H-H4O2]- 540.03 95 1.01593773641748 -0.0183978653793922 0.987107566090336
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5454 M503T3666 M503T61.1 503 503 503 61.0975340621041 61.0975340621041 61.0975340621041 1 1 0 452 2.81017819945011 -0.642964496869135 0.635588766463845
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5455 M503T3161 M503.1T52.7 503.100006103516 503.100006103516 503.100006103516 52.6832505955831 52.6112967067067 52.7188087809515 4 2 2 [101][M+1]- 10 1.01833261859023 -0.143734363154644 0.906637147207887
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5456 M503T4056 M503.1T67.6 503.100006103516 503.100006103516 503.100006103516 67.6044098080423 67.6044098080423 67.6044098080423 1 0 1 3407 6.75590406562175 1.17066422470444 0.437897114178237
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5457 M503T3025 M503.2T50.4 503.200012207031 503.200012207031 503.200012207031 50.4238570973205 50.3755213268837 50.4721928677572 2 1 1 [102][M+1]- 39 2.1906898270881 0.68646819530176 0.606351784289207
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5458 M503T4175 M503.2T69.6 503.200012207031 503.200012207031 503.200012207031 69.5904079700352 69.5904079700352 69.5904079700352 1 1 0 4372 1.15822426037212 -0.428182593321163 0.718182444422755
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5459 M503T3198 M503.2T53.3 503.200012207031 503.200012207031 503.200012207031 53.3008988298567 53.3008988298567 53.3008988298567 1 1 0 1760 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5460 M503T4205 M503.3T70.1 503.300018310547 503.300018310547 503.300018310547 70.0879809550767 70.0638491424957 70.1121127676577 2 2 0 4939 2.50329533175616 -1.50216748610062 0.373387972929028
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5461 M503T3524 M503.3T58.7 503.300018310547 503.300018310547 503.300018310547 58.7411389673312 58.7411389673312 58.7411389673312 1 0 1 418 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5462 M503T2527 M503.3T42.1 503.300018310547 503.300018310547 503.300018310547 42.1194514146668 42.1194514146668 42.1194514146668 1 0 1 5958 1.6742081447964 0.345726268461884 0.768887472909528
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5463 M503T2855 M503.3T47.6 503.300018310547 503.300018310547 503.300018310547 47.5819289669518 47.5819289669518 47.5819289669518 1 1 0 [M-H-C3H3]- 543.329 [M-H-HC2N]- 543.329 111 2.48546461364374 -0.554465681703481 0.658681478929241
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5464 M503T3059 M503.3T51 503.300018310547 503.300018310547 503.300018310547 50.9847882234984 50.9847882234984 50.9847882234984 1 1 0 5776 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5465 M503T2715 M503.4T45.3 503.399993896484 503.399993896484 503.399993896484 45.2502178810908 45.192954567823 45.3074811943587 2 1 1 2512 1.65370355411576 -0.338260218048694 0.773345592200456
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5466 M504T2536 M503.7T42.3 503.700012207031 503.700012207031 503.700012207031 42.2617944711501 42.2617944711501 42.2617944711501 1 0 1 5785 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5467 M504T2802 M503.9T46.7 503.899993896484 503.899993896484 503.899993896484 46.6923993484446 46.6923993484446 46.6923993484446 1 0 1 5188 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5468 M504T3954 M503.9T65.9 503.899993896484 503.899993896484 503.899993896484 65.901052469966 65.901052469966 65.901052469966 1 0 1 5462 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5469 M504T3916 M504T65.3 504 504 504 65.2739374834593 65.2739374834593 65.2739374834593 1 0 1 5146 Inf 1.35256946341765 0.405297335344753
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lecorguille
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5470 M504T4212 M504T70.2 504 504 504 70.2067101114773 70.2067101114773 70.2067101114773 1 0 1 4940 1.35009882660122 0.238745534447034 0.84246215096217
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5471 M504T2922 M504T48.7 504 504 504 48.7022458414622 48.7022458414622 48.7022458414622 1 1 0 [M-H+CF3COOH]- 391.025 60 8.16152597267298 -0.876367395420526 0.541292007239872
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5472 M504T3252 M504.1T54.2 504.100006103516 504.100006103516 504.100006103516 54.1990734623451 54.1990734623451 54.1990734623451 1 0 1 [103][M]- 34 1.06469515939518 0.195965159791049 0.87678009084281
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5473 M504T3461 M504.2T57.7 504.200012207031 504.200012207031 504.200012207031 57.6828703029521 57.6828703029521 57.6828703029521 1 0 1 1286 3.01250674777582 4.54932142002877 0.069840980484047
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5474 M504T2561 M504.2T42.7 504.200012207031 504.200012207031 504.200012207031 42.6815381126804 42.6815381126804 42.6815381126804 1 1 0 3084 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5475 M504T3263 M504.2T54.4 504.200012207031 504.200012207031 504.200012207031 54.3794304864071 54.3794304864071 54.3794304864071 1 1 0 3460 1.20565371005671 0.385838518339531 0.754197036566352
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5476 M504T4094 M504.3T68.2 504.300018310547 504.300018310547 504.300018310547 68.2326839630724 68.2326839630724 68.2326839630724 1 1 0 5114 6.88837788315013 -5.27590910593987 0.0633303845854467
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5477 M504T3731 M504.3T62.2 504.300018310547 504.300018310547 504.300018310547 62.1804575745192 62.1804575745192 62.1804575745192 1 1 0 3545 6.35062431934405 -1.16660370520657 0.437253336590723
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5478 M504T4223 M504.3T70.4 504.300018310547 504.300018310547 504.300018310547 70.3908742584855 70.3908742584855 70.3908742584855 1 0 1 5427 5.3663362040808 1.53680474836014 0.326401668408757
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5479 M504T2758 M504.3T46 504.300018310547 504.300018310547 504.300018310547 45.9620516014772 45.9620516014772 45.9620516014772 1 0 1 244 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5480 M504T3855 M504.4T64.2 504.399993896484 504.399993896484 504.399993896484 64.2440154526799 64.2440154526799 64.2440154526799 1 1 0 1404 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5481 M504T2747 M504.4T45.8 504.399993896484 504.399993896484 504.399993896484 45.7754061239891 45.7754061239891 45.7754061239891 1 1 0 4343 Inf -2.20951412800643 0.270566065055836
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5482 M504T4224 M504.4T70.4 504.399993896484 504.399993896484 504.399993896484 70.3990754430059 70.3990754430059 70.3990754430059 1 1 0 5428 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5483 M504T3515 M504.5T58.6 504.5 504.5 504.5 58.5831261588242 58.5157019193259 58.6505503983225 2 1 1 [104][M]2- 419 1.74759646063009 0.41934275594402 0.720566489695646
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5484 M505T2936 M504.6T48.9 504.600006103516 504.600006103516 504.600006103516 48.9352719854572 48.9352719854572 48.9352719854572 1 1 0 2798 28.005386662049 -0.963678424980774 0.511447376506398
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5485 M505T4015 M504.7T66.9 504.700012207031 504.700012207031 504.700012207031 66.9185960969726 66.9185960969726 66.9185960969726 1 0 1 6091 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5486 M505T2893 M504.8T48.2 504.800018310547 504.800018310547 504.800018310547 48.2201124788969 48.2201124788969 48.2201124788969 1 1 0 3839 5.02633564485639 -3.56832450187938 0.10458189851443
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5487 M505T2719 M504.8T45.3 504.800018310547 504.800018310547 504.800018310547 45.3107045314169 45.3107045314169 45.3107045314169 1 1 0 2447 3.38879686297103 -0.676088129807589 0.60748201343851
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5488 M505T3528 M504.9T58.8 504.899993896484 504.899993896484 504.899993896484 58.7938130459194 58.7938130459194 58.7938130459194 1 1 0 420 17.8556089269208 -0.94251822390869 0.518046782491457
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5489 M505T2897 M505T48.3 505 505 505 48.2821076280088 48.2821076280088 48.2821076280088 1 0 1 3840 4.7209913312239 2.94234721170694 0.105991450655887
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5490 M505T4105 M505T68.4 505 505 505 68.4186309663329 68.4186309663329 68.4186309663329 1 0 1 5646 Inf 1 0.5
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5491 M505T3854 M505T64.2 505 505 505 64.2406174984354 64.2406174984354 64.2406174984354 1 0 1 1405 1.05673189387786 -0.0389941486742378 0.972446978898044
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5492 M505T3518 M505T58.6 505 505 505 58.6355926720801 58.6355926720801 58.6355926720801 1 1 0 [104][M+1]2- 421 6.4452009533533 -1.07769588697668 0.475370644934454
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5493 M505T3249 M505.1T54.2 505.100006103516 505.100006103516 505.100006103516 54.157708863118 54.1425142229737 54.1729035032622 2 1 1 [103][M+1]- 34 2.6152402664067 0.737200994422447 0.56519736503925
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5494 M505T3694 M505.1T61.6 505.100006103516 505.100006103516 505.100006103516 61.5652512455309 61.5652512455309 61.5652512455309 1 1 0 569 4.14184156914574 -1.39242848249338 0.392281048754104
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5495 M505T3261 M505.2T54.3 505.200012207031 505.200012207031 505.200012207031 54.3453255162153 54.2122618581946 54.3794304864071 5 2 2 3591 1.29976289098757 -0.586634709908155 0.644442561806264
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5496 M505T3757 M505.2T62.6 505.200012207031 505.200012207031 505.200012207031 62.6097822557779 62.6097822557779 62.6097822557779 1 1 0 1004 17.0445080448865 -1.12193035496278 0.463239226291726
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5497 M505T3728 M505.3T62.1 505.300018310547 505.300018310547 505.300018310547 62.1361187572841 62.1361187572841 62.1361187572841 1 1 0 [M-H]- 506.312 84 5.20408799343932 -0.984087844790498 0.49256637220305
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5498 M505T3659 M505.3T61 505.300018310547 505.300018310547 505.300018310547 60.9832769923902 60.9832769923902 60.9832769923902 1 0 1 [M+HCOO]- 460.309 2 1.10754841358515 0.423633221865439 0.727606291130098
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5499 M505T3739 M505.4T62.3 505.399993896484 505.399993896484 505.399993896484 62.319572107393 62.319572107393 62.319572107393 1 1 0 130 2.33005591779339 -0.524557092204177 0.67270016567202
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5500 M505T3910 M505.4T65.2 505.399993896484 505.399993896484 505.399993896484 65.1694320732506 65.1694320732506 65.1694320732506 1 0 1 4847 3.88768872532427 0.719361236347361 0.591279281727889
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5501 M505T3987 M505.4T66.4 505.399993896484 505.399993896484 505.399993896484 66.4483004191523 66.4483004191523 66.4483004191523 1 0 1 4506 1.11466356719435 0.0765705305591753 0.946007715394081
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5502 M506T2537 M505.5T42.3 505.5 505.5 505.5 42.2878611378167 42.2878611378167 42.2878611378167 1 0 1 5913 Inf 1 0.5
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5503 M506T3998 M505.5T66.6 505.5 505.5 505.5 66.6324667908487 66.6324667908487 66.6324667908487 1 0 1 6156 Inf 1 0.5
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5504 M506T4150 M505.5T69.2 505.5 505.5 505.5 69.1694325890812 69.1694325890812 69.1694325890812 1 0 1 6045 Inf 1 0.5
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5505 M506T2717 M505.6T45.3 505.600006103516 505.600006103516 505.600006103516 45.2802398449283 45.2802398449283 45.2802398449283 1 0 1 2513 Inf 1 0.5
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5506 M506T2736 M505.7T45.6 505.700012207031 505.700012207031 505.700012207031 45.5942420663962 45.5942420663962 45.5942420663962 1 1 0 2514 Inf -1 0.5
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5507 M506T2994 M505.8T49.9 505.800018310547 505.800018310547 505.800018310547 49.8957936312115 49.8014151685206 49.9901720939024 2 1 1 1843 1.49268372365781 -0.440965697595974 0.70234575172437
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5508 M506T2776 M505.9T46.3 505.899993896484 505.899993896484 505.899993896484 46.2691107899245 46.2691107899245 46.2691107899245 1 0 1 5124 Inf 1 0.5
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5509 M506T4130 M505.9T68.8 505.899993896484 505.899993896484 505.899993896484 68.8335388019452 68.8335388019452 68.8335388019452 1 1 0 1504 Inf -1 0.5
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5510 M506T3956 M506T65.9 506 506 506 65.9308188818822 65.9308188818822 65.9308188818822 1 1 0 173 4.21972349100746 -0.742454073398652 0.582998494465695
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5511 M506T3210 M506T53.5 506 506 506 53.4987026834318 53.4987026834318 53.4987026834318 1 1 0 4330 17.712333899212 -0.942041987613348 0.518195015202066
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5512 M506T4079 M506T68 506 506 506 67.9805001444883 67.9805001444883 67.9805001444883 1 0 1 3903 Inf 1 0.5
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5513 M506T3256 M506.1T54.3 506.100006103516 506.100006103516 506.100006103516 54.2738637650085 54.2738637650085 54.2738637650085 1 1 0 [103][M+2]- 34 1.04203865556938 0.184192813062375 0.87221374704239
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5514 M506T3382 M506.1T56.4 506.100006103516 506.100006103516 506.100006103516 56.3669820347315 56.3669820347315 56.3669820347315 1 1 0 1582 1.70041527492564 0.699789491309276 0.610951413254734
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5515 M506T3391 M506.2T56.5 506.200012207031 506.200012207031 506.200012207031 56.5213564282762 56.3114934695469 56.5674600779613 3 2 1 [M-H-CH5N]- 538.237 3 1.18950220562952 1.48928948100055 0.361255382439873
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5516 M506T4181 M506.2T69.7 506.200012207031 506.200012207031 506.200012207031 69.6804626467477 69.6804626467477 69.6804626467477 1 0 1 5992 3.76859282787642 5.14189784497321 0.0402960134904846
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5517 M506T3306 M506.3T55.1 506.300018310547 506.300018310547 506.300018310547 55.1046365425461 55.0118409973691 55.1974320877231 2 1 1 548 3.57518043214177 0.762927031437376 0.581785456362296
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5518 M506T3332 M506.3T55.5 506.300018310547 506.300018310547 506.300018310547 55.5388872663233 55.5388872663233 55.5388872663233 1 1 0 1119 1.71540933918176 -0.545643405987228 0.641314290266673
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5519 M506T2583 M506.4T43 506.399993896484 506.399993896484 506.399993896484 43.0418162432725 43.0418162432725 43.0418162432725 1 1 0 5689 Inf -1 0.5
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5520 M506T2567 M506.5T42.8 506.5 506.5 506.5 42.7858714460137 42.7858714460137 42.7858714460137 1 1 0 5862 Inf -1 0.5
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5521 M507T2710 M506.6T45.2 506.600006103516 506.600006103516 506.600006103516 45.1672414316353 45.1672414316353 45.1672414316353 1 1 0 225 Inf -1 0.5
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5522 M507T3732 M507T62.2 507 507 507 62.193361175757 62.193361175757 62.193361175757 1 0 1 3576 2.39127020664762 0.536767097671278 0.666905656081132
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5523 M507T3177 M507T52.9 507 507 507 52.9473638881523 52.9473638881523 52.9473638881523 1 0 1 787 Inf 1.47664184312192 0.378959332484944
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5524 M507T3650 M507.1T60.8 507.100006103516 507.100006103516 507.100006103516 60.8298894379262 60.8298894379262 60.8298894379262 1 0 1 1543 Inf 1 0.5
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5525 M507T3430 M507.1T57.2 507.100006103516 507.100006103516 507.100006103516 57.1611244463168 57.1611244463168 57.1611244463168 1 0 1 5270 1.08639369803962 -0.0820111358846039 0.946015665251724
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5526 M507T3399 M507.1T56.7 507.100006103516 507.100006103516 507.100006103516 56.6506000648704 56.6506000648704 56.6506000648704 1 1 0 1329 Inf -1 0.5
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5527 M507T3382 M507.1T56.4 507.100006103516 507.100006103516 507.100006103516 56.3622416481102 56.3622416481102 56.3622416481102 1 0 1 1583 Inf 1 0.5
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5528 M507T3383 M507.2T56.4 507.200012207031 507.200012207031 507.200012207031 56.3903244038206 56.362268834553 56.4183799730882 2 1 1 25 1.25071953824529 0.932210017651654 0.450002914658453
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5529 M507T3024 M507.2T50.4 507.200012207031 507.200012207031 507.200012207031 50.397804670205 50.3755213268837 50.4200880135263 2 1 1 [M-2H+Na]- 486.212 39 2.68630970398185 0.731816138495107 0.59646434213472
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5530 M507T3113 M507.3T51.9 507.300018310547 507.300018310547 507.300018310547 51.8843971195701 51.8843971195701 51.8843971195701 1 1 0 5350 1.53027752254137 -0.290078997581321 0.80287975001672
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5531 M507T3304 M507.3T55.1 507.300018310547 507.300018310547 507.300018310547 55.0657288361012 55.0657288361012 55.0657288361012 1 1 0 5390 1.14394823375672 -0.318180861917593 0.78222134116243
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5532 M507T4176 M507.3T69.6 507.300018310547 507.300018310547 507.300018310547 69.6081394901155 69.6081394901155 69.6081394901155 1 0 1 4407 2.72300551223312 0.593971798292043 0.641057716477158
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5533 M507T2575 M507.3T42.9 507.300018310547 507.300018310547 507.300018310547 42.9138444711501 42.9138444711501 42.9138444711501 1 0 1 4077 1.68938807126259 0.351160859330475 0.76566316869349
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5534 M507T2793 M507.3T46.6 507.300018310547 507.300018310547 507.300018310547 46.5527161304661 46.5527161304661 46.5527161304661 1 0 1 901 1.00974667381988 0.00685843464291123 0.995150463260198
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5535 M507T3635 M507.3T60.6 507.300018310547 507.300018310547 507.300018310547 60.5838403515172 60.5838403515172 60.5838403515172 1 1 0 2846 10.1999282444467 -2.7687188128325 0.220321038707886
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5536 M507T2725 M507.4T45.4 507.399993896484 507.399993896484 507.399993896484 45.4149190144688 45.4149190144688 45.4149190144688 1 0 1 2515 1.71440071594915 0.402740019928813 0.749569311189823
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5537 M507T3659 M507.4T61 507.399993896484 507.399993896484 507.399993896484 60.9832769923902 60.9832769923902 60.9832769923902 1 0 1 453 Inf 1 0.5
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5538 M508T2641 M507.5T44 507.5 507.5 507.5 44.0145565827315 44.0145565827315 44.0145565827315 1 0 1 5671 Inf 1 0.5
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5539 M508T2700 M507.8T45 507.800018310547 507.800018310547 507.800018310547 45.0066297489416 45.0066297489416 45.0066297489416 1 0 1 4871 Inf 1 0.5
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5540 M508T2605 M507.9T43.4 507.899993896484 507.899993896484 507.899993896484 43.4118547793471 43.4118547793471 43.4118547793471 1 1 0 5240 3.16583333333335 -0.652356457977041 0.616784459383281
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5541 M508T2936 M508T48.9 508 508 508 48.9352719854572 48.9352719854572 48.9352719854572 1 1 0 2797 1.18737701078816 -0.120703544774771 0.915240468623886
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5542 M508T4176 M508T69.6 508 508 508 69.6015286663711 69.6015286663711 69.6015286663711 1 0 1 [105][M]- 4408 2.39227019281294 0.704661544376249 0.568626441717607
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5543 M508T4400_1 M508T73.3_1 508 508 508 73.3386525149842 73.3386525149842 73.3386525149842 1 0 1 6227 6.02970297029679 2.02969557399937 0.234207194914436
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5544 M508T4382 M508T73 508 508 508 73.0387537127173 73.0387537127173 73.0387537127173 1 1 0 301 7.25567466309121 -0.854103062727487 0.545733424656016
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5545 M508T2604 M508T43.4 508 508 508 43.4069829099392 43.4069829099392 43.4069829099392 1 1 0 5246 2.42240552081921 -0.718075092299378 0.562313448449493
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5546 M508T2966 M508T49.4 508 508 508 49.4395318921251 49.4395318921251 49.4395318921251 1 1 0 3239 Inf -1 0.5
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5547 M508T3309 M508.1T55.2 508.100006103516 508.100006103516 508.100006103516 55.1533222874907 55.1533222874907 55.1533222874907 1 0 1 549 3.15850342407267 0.651520141437899 0.617117992454793
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5548 M508T3037 M508.1T50.6 508.100006103516 508.100006103516 508.100006103516 50.6110829014659 50.6110829014659 50.6110829014659 1 0 1 71 2.33968460313058 0.893983101100318 0.531410188876487
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5549 M508T3356 M508.1T55.9 508.100006103516 508.100006103516 508.100006103516 55.9254437958134 55.9254437958134 55.9254437958134 1 1 0 704 2.55391240296882 -1.12208611628044 0.378628233769651
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5550 M508T3403 M508.1T56.7 508.100006103516 508.100006103516 508.100006103516 56.721624857134 56.721624857134 56.721624857134 1 0 1 1330 1.50453034909965 0.320912234633904 0.795691056759267
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5551 M508T3522 M508.2T58.7 508.200012207031 508.200012207031 508.200012207031 58.6953870068201 58.6468635907993 58.7409233247563 4 2 2 [106][M]- 1 1.11662843678351 2.58001225952289 0.141994468967057
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5552 M508T4349 M508.2T72.5 508.200012207031 508.200012207031 508.200012207031 72.488371869605 72.4127703793839 72.5639733598261 2 2 0 299 3.04596878304432 -1.39399746940959 0.298588627610343
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5553 M508T3840 M508.3T64 508.300018310547 508.300018310547 508.300018310547 64.0077487603091 63.9719969850716 64.0435005355467 2 1 1 [107][M]- 69 9.96504941014658 -0.903422290228517 0.530545425138747
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5554 M508T2533 M508.3T42.2 508.300018310547 508.300018310547 508.300018310547 42.2120547793471 42.2120547793471 42.2120547793471 1 1 0 5602 1.48222501045584 -0.616888011570864 0.637932994035771
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5555 M508T3105 M508.3T51.8 508.300018310547 508.300018310547 508.300018310547 51.7563629611898 51.7563629611898 51.7563629611898 1 1 0 3146 8.37889523700619 -3.90208997432513 0.0789884626782731
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5556 M508T3913 M508.3T65.2 508.300018310547 508.300018310547 508.300018310547 65.2216948348315 65.2216948348315 65.2216948348315 1 0 1 5147 2.33066487618143 0.570560979899339 0.669715831501785
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5557 M508T4165 M508.3T69.4 508.300018310547 508.300018310547 508.300018310547 69.4173881749597 69.4173881749597 69.4173881749597 1 0 1 6158 1.42817749662902 -0.401092722063045 0.7452390471751
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5558 M508T2986 M508.3T49.8 508.300018310547 508.300018310547 508.300018310547 49.7680463101274 49.7680463101274 49.7680463101274 1 1 0 4623 3.69219816553721 -0.703801714692814 0.596997764794374
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5559 M508T4415 M508.3T73.6 508.300018310547 508.300018310547 508.300018310547 73.5883457405337 73.5883457405337 73.5883457405337 1 0 1 6121 Inf 1 0.5
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5560 M508T3981 M508.3T66.4 508.300018310547 508.300018310547 508.300018310547 66.357026989459 66.357026989459 66.357026989459 1 1 0 5544 4.7361870717137 -0.771842812583979 0.572785760066072
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5561 M508T4035 M508.3T67.3 508.300018310547 508.300018310547 508.300018310547 67.256155081874 67.256155081874 67.256155081874 1 1 0 3774 1.44200940702115 -0.596025112054432 0.630823667472001
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5562 M508T4398 M508.4T73.3 508.399993896484 508.399993896484 508.399993896484 73.3014290738671 73.3014290738671 73.3014290738671 2 0 1 6112 Inf 1.27996906419181 0.422215602866012
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5563 M508T4367 M508.4T72.8 508.399993896484 508.399993896484 508.399993896484 72.7779370460506 72.7779370460506 72.7779370460506 1 1 0 6233 Inf -1.75856497334899 0.329161430685806
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5564 M508T4216 M508.4T70.3 508.399993896484 508.399993896484 508.399993896484 70.259331640986 70.259331640986 70.259331640986 1 0 1 5333 5.89070036613767 0.818530401272437 0.55719873719912
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5565 M508T4400_2 M508.5T73.3_2 508.5 508.5 508.5 73.3386525149842 73.3386525149842 73.3386525149842 1 0 1 6228 Inf 1 0.5
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5566 M509T3309 M508.9T55.1 508.899993896484 508.899993896484 508.899993896484 55.1430121663691 55.1430121663691 55.1430121663691 1 0 1 550 Inf 1 0.5
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5567 M509T2898 M509T48.3 509 509 509 48.2990354917678 48.2990354917678 48.2990354917678 1 1 0 134 3.86501448116276 -1.08449382929641 0.473340812996031
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5568 M509T4144 M509T69.1 509 509 509 69.0660535572266 69.0660535572266 69.0660535572266 1 0 1 219 Inf 1 0.5
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5569 M509T4171 M509T69.5 509 509 509 69.5226165936182 69.5226165936182 69.5226165936182 1 0 1 [105][M+1]- 4409 5.83894109414264 1.59641850724016 0.353753129320167
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5570 M509T4378 M509T73 509 509 509 72.9734858483176 72.9734858483176 72.9734858483176 1 0 1 6217 2.37223370619958 0.533032208173613 0.668667612793862
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5571 M509T3483 M509.1T58 509.100006103516 509.100006103516 509.100006103516 58.0425672899882 58.0425672899882 58.0425672899882 1 1 0 31 1.64402546528444 0.334685390699327 0.775491778746058
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5572 M509T4201 M509.1T70 509.100006103516 509.100006103516 509.100006103516 70.0225382233639 70.0225382233639 70.0225382233639 1 0 1 5703 1.53154905299301 0.341897615912751 0.787704476458722
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5573 M509T3154 M509.1T52.6 509.100006103516 509.100006103516 509.100006103516 52.5726179377313 52.5726179377313 52.5726179377313 1 0 1 5903 1.13866418007347 -0.203990480805781 0.862034414529194
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5574 M509T3522 M509.2T58.7 509.200012207031 509.200012207031 509.200012207031 58.6953870068201 58.5944529096442 58.7673506667432 4 2 2 [106][M+1]- 1 1.10717316385488 3.22812479278821 0.129099748671569
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5575 M509T4354 M509.2T72.6 509.200012207031 509.200012207031 509.200012207031 72.5711124072004 72.5711124072004 72.5711124072004 1 0 1 343 Inf 1 0.5
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5576 M509T4380 M509.3T73 509.300018310547 509.300018310547 509.300018310547 72.9995691816509 72.9995691816509 72.9995691816509 1 0 1 298 Inf 1 0.5
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5577 M509T3838 M509.3T64 509.300018310547 509.300018310547 509.300018310547 63.9719969850716 63.9719969850716 63.9719969850716 1 1 0 [107][M+1]- 69 6.60975379296923 -0.841464842873507 0.550841177888082
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5578 M509T4351 M509.3T72.5 509.300018310547 509.300018310547 509.300018310547 72.5118066931594 72.5118066931594 72.5118066931594 1 1 0 6201 1.50704346285563 -0.280345098128929 0.808999555106011
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5579 M509T3945 M509.4T65.7 509.399993896484 509.399993896484 509.399993896484 65.7442474986021 65.7442474986021 65.7442474986021 1 0 1 3744 Inf 1 0.5
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5580 M509T3157 M509.4T52.6 509.399993896484 509.399993896484 509.399993896484 52.6093194234439 52.6093194234439 52.6093194234439 1 0 1 841 Inf 1 0.5
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5581 M509T2823 M509.4T47.1 509.399993896484 509.399993896484 509.399993896484 47.05087412726 47.05087412726 47.05087412726 1 0 1 3303 Inf 1 0.5
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5582 M509T2616 M509.4T43.6 509.399993896484 509.399993896484 509.399993896484 43.5919944711501 43.5919944711501 43.5919944711501 1 0 1 5638 Inf 1.48326711989989 0.377637251001013
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5583 M509T2843 M509.4T47.4 509.399993896484 509.399993896484 509.399993896484 47.3916084829654 47.3916084829654 47.3916084829654 1 0 1 5524 1.73583103578673 0.367314102512832 0.756184694986646
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5584 M510T2603 M509.5T43.4 509.5 509.5 509.5 43.3857714460137 43.3857714460137 43.3857714460137 1 1 0 5247 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5585 M510T3031 M509.8T50.5 509.800018310547 509.800018310547 509.800018310547 50.5228757545999 50.5228757545999 50.5228757545999 1 1 0 2153 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5586 M510T2702 M509.9T45 509.899993896484 509.899993896484 509.899993896484 45.0274246562821 45.0274246562821 45.0274246562821 1 1 0 4872 2.27776529279933 -0.513651309786131 0.677959701602325
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5587 M510T2881 M510T48 510 510 510 48.0207768096326 48.0207768096326 48.0207768096326 1 0 1 131 Inf 1 0.5
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5588 M510T4006 M510T66.8 510 510 510 66.7626125220595 66.7626125220595 66.7626125220595 1 0 1 6127 Inf 1 0.5
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5589 M510T4475 M510T74.6 510 510 510 74.5776370460506 74.5776370460506 74.5776370460506 1 1 0 300 Inf -1 0.5
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5590 M510T4173 M510T69.6 510 510 510 69.5565662589436 69.5565662589436 69.5565662589436 1 0 1 [105][M+2]- 4410 Inf 7.42215983535311 0.0852594257160812
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5591 M510T3464 M510.1T57.7 510.100006103516 510.100006103516 510.100006103516 57.7343471102919 57.6192757969965 57.8330395723401 3 1 2 19 1.32684196939209 0.647254535899316 0.599606208305208
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5592 M510T4126 M510.1T68.8 510.100006103516 510.100006103516 510.100006103516 68.770804812462 68.7551909651299 68.7864186597941 2 1 1 1505 2.12730805332907 -0.897138740482794 0.530290253502246
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5593 M510T4097 M510.1T68.3 510.100006103516 510.100006103516 510.100006103516 68.2872973934685 68.2872973934685 68.2872973934685 1 0 1 5107 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5594 M510T3932 M510.1T65.5 510.100006103516 510.100006103516 510.100006103516 65.5352104594427 65.5352104594427 65.5352104594427 1 0 1 2942 8.52891560761588 1.30646610950469 0.406331808303923
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5595 M510T4184 M510.1T69.7 510.100006103516 510.100006103516 510.100006103516 69.7330875131631 69.7330875131631 69.7330875131631 1 0 1 6018 2.02903360815544 0.505027629779171 0.701157283065631
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5596 M510T3531 M510.2T58.8 510.200012207031 510.200012207031 510.200012207031 58.8455724550566 58.7278077273236 58.9799116992564 5 2 2 [108][M]- [M-H-CH4S]- 559.208 35 1.02311173775615 3.21315777042036 0.156971797560875
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5597 M510T3764 M510.2T62.7 510.200012207031 510.200012207031 510.200012207031 62.7403975862077 62.7158215312295 62.7649736411858 2 1 1 [109][M]- 13 1.55165661300885 0.430522788795729 0.717964125727121
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5598 M510T3748 M510.2T62.5 510.200012207031 510.200012207031 510.200012207031 62.4696785804301 62.4217065074561 62.5176506534041 2 1 1 [110][M]- 1034 1.48478616381006 0.401713940910226 0.73409762051202
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5599 M510T4479 M510.2T74.6 510.200012207031 510.200012207031 510.200012207031 74.6427691816509 74.6427691816509 74.6427691816509 1 0 1 6117 7.4363417317952 0.857803998278854 0.544556342822482
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5600 M510T3722 M510.3T62 510.300018310547 510.300018310547 510.300018310547 62.0371588300029 61.9748588051615 62.2408204419624 3 1 2 3449 2.06450884620194 -0.658008129573596 0.629292731708948
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5601 M510T2712 M510.3T45.2 510.300018310547 510.300018310547 510.300018310547 45.2077855778326 45.2077855778326 45.2077855778326 1 1 0 2516 2.42460867956761 -0.543177211573942 0.663903167942007
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5602 M510T3842 M510.3T64 510.300018310547 510.300018310547 510.300018310547 64.0253664921729 64.0253664921729 64.0253664921729 1 1 0 [111][M]- 1342 9.51843337226149 -0.943706988367111 0.515355364074701
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5603 M510T3302 M510.3T55 510.300018310547 510.300018310547 510.300018310547 55.035040130052 55.035040130052 55.035040130052 1 1 0 167 1.59222900677298 0.431070479614038 0.708562946003416
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5604 M510T3052 M510.3T50.9 510.300018310547 510.300018310547 510.300018310547 50.86379753893 50.86379753893 50.86379753893 1 1 0 3474 5.73130684299586 -1.23393912131289 0.413127624736336
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5605 M510T2546 M510.3T42.4 510.300018310547 510.300018310547 510.300018310547 42.4324514146668 42.4324514146668 42.4324514146668 1 0 1 5166 7.78740157480315 1.42139372045318 0.375757858623596
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5606 M510T2918 M510.4T48.6 510.399993896484 510.399993896484 510.399993896484 48.6253526118882 48.6251346470619 48.6255705767146 2 1 1 [3M-H+Cl]2- 328.936 56 1.45219374132245 -0.328585270729206 0.773770215155413
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5607 M510T3723 M510.4T62.1 510.399993896484 510.399993896484 510.399993896484 62.0578316825142 62.0578316825142 62.0578316825142 1 1 0 3450 113.325860762488 -0.991137302103712 0.502813158122073
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5608 M510T3915 M510.4T65.3 510.399993896484 510.399993896484 510.399993896484 65.255247133714 65.255247133714 65.255247133714 1 1 0 152 16.1568880816824 -1.67443808883419 0.338297018838726
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5609 M510T4026 M510.4T67.1 510.399993896484 510.399993896484 510.399993896484 67.1052517121556 67.1052517121556 67.1052517121556 1 0 1 5951 Inf 1.96843222190487 0.299237915799135
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5610 M510T2723 M510.5T45.4 510.5 510.5 510.5 45.3882792454419 45.3882792454419 45.3882792454419 1 0 1 2517 1.70843900467517 -0.357872163344619 0.761705848703642
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5611 M510T4127 M510.5T68.8 510.5 510.5 510.5 68.7864186597941 68.7864186597941 68.7864186597941 1 0 1 1506 2.24428003137535 0.506424833992421 0.681488633191288
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5612 M510T3211 M510.5T53.5 510.5 510.5 510.5 53.5199842033022 53.5199842033022 53.5199842033022 1 0 1 4331 Inf 1 0.5
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5613 M510T2573 M510.5T42.9 510.5 510.5 510.5 42.8902047793471 42.8902047793471 42.8902047793471 1 1 0 6075 2.28745644599306 -0.51570685093103 0.676962297705413
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5614 M511T2604 M510.8T43.4 510.800018310547 510.800018310547 510.800018310547 43.3975014146668 43.3975014146668 43.3975014146668 1 0 1 5248 6.63754856731497 0.839863900593183 0.550287772105994
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5615 M511T3180 M510.9T53 510.899993896484 510.899993896484 510.899993896484 53.0026153992651 53.0026153992651 53.0026153992651 1 1 0 2199 Inf -1 0.5
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5616 M511T3945 M511T65.7 511 511 511 65.7483373156142 65.7483373156142 65.7483373156142 1 1 0 3741 Inf -1 0.5
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5617 M511T3027 M511T50.5 511 511 511 50.4541558634034 50.4541558634034 50.4541558634034 1 0 1 2122 1.75277429071444 0.526113335454324 0.651352388114335
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5618 M511T4009 M511.1T66.8 511.100006103516 511.100006103516 511.100006103516 66.8162040866414 66.8162040866414 66.8162040866414 1 0 1 5232 2.8180483315234 0.846000236725486 0.546772560368847
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5619 M511T3926 M511.1T65.4 511.100006103516 511.100006103516 511.100006103516 65.4307028752848 65.4307028752848 65.4307028752848 1 0 1 2968 1.18744868904615 0.120745453683135 0.915211448077003
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5620 M511T3764 M511.2T62.7 511.200012207031 511.200012207031 511.200012207031 62.7274125450156 62.7158215312295 62.7390035588018 2 1 1 [109][M+1]- 13 1.54051170888506 0.405424021867398 0.732753988257127
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5621 M511T3536 M511.2T58.9 511.200012207031 511.200012207031 511.200012207031 58.9298552655283 58.9095542399947 58.950156291062 2 1 1 [108][M+1]- 35 1.05889532924255 -0.850021298549979 0.49435817937206
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5622 M511T3747 M511.2T62.5 511.200012207031 511.200012207031 511.200012207031 62.456671818388 62.4217065074561 62.4916371293198 2 1 1 [110][M+1]- 1035 1.51331301680955 0.422455597091912 0.722405329755147
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5623 M511T3515 M511.2T58.6 511.200012207031 511.200012207031 511.200012207031 58.5849576119471 58.5849576119471 58.5849576119471 1 0 1 1 1.02883812334205 0.109325737083735 0.927885510474378
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5624 M511T4176 M511.2T69.6 511.200012207031 511.200012207031 511.200012207031 69.5927325930257 69.5927325930257 69.5927325930257 1 1 0 115 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5625 M511T4474 M511.3T74.6 511.300018310547 511.300018310547 511.300018310547 74.5645358483176 74.5645358483176 74.5645358483176 1 0 1 6101 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5626 M511T3870 M511.3T64.5 511.300018310547 511.300018310547 511.300018310547 64.5007646161753 64.5007646161753 64.5007646161753 1 1 0 [111][M+1]- 1406 1.17459433647894 -0.203354346229477 0.858577056080209
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5627 M511T3785 M511.3T63.1 511.300018310547 511.300018310547 511.300018310547 63.0816516534975 63.0816516534975 63.0816516534975 1 0 1 [M-H-CH4S]- 560.325 [M-H-CH4O2]- 560.325 88 1.40349242890737 0.234138292489827 0.838690429847903
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5628 M511T3204 M511.3T53.4 511.300018310547 511.300018310547 511.300018310547 53.4016568211527 53.4016568211527 53.4016568211527 1 1 0 2200 Inf -1.57620599645921 0.359916279106528
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5629 M511T3035 M511.3T50.6 511.300018310547 511.300018310547 511.300018310547 50.5841522701574 50.5841522701574 50.5841522701574 1 0 1 2154 2.01465236096668 0.451120413132161 0.709655608218248
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5630 M511T3689 M511.4T61.5 511.399993896484 511.399993896484 511.399993896484 61.4791084017905 61.4791084017905 61.4791084017905 1 0 1 610 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5631 M511T3440 M511.4T57.3 511.399993896484 511.399993896484 511.399993896484 57.3369163968925 57.3369163968925 57.3369163968925 1 1 0 62 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5632 M511T3114 M511.4T51.9 511.399993896484 511.399993896484 511.399993896484 51.9003507448016 51.9003507448016 51.9003507448016 1 0 1 5976 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5633 M511T2761 M511.4T46 511.399993896484 511.399993896484 511.399993896484 46.0235514467423 46.0235514467423 46.0235514467423 1 0 1 3819 1.95899921922275 1.44700862682846 0.32867729952582
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5634 M512T3202 M511.5T53.4 511.5 511.5 511.5 53.367895503077 53.367895503077 53.367895503077 1 1 0 1761 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5635 M512T2891 M511.6T48.2 511.600006103516 511.600006103516 511.600006103516 48.1777245677541 48.1777245677541 48.1777245677541 1 0 1 3841 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5636 M512T3896 M511.8T64.9 511.800018310547 511.800018310547 511.800018310547 64.9284366091274 64.9284366091274 64.9284366091274 1 1 0 4908 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5637 M512T3858 M512T64.3 512 512 512 64.2931743010309 64.2931743010309 64.2931743010309 1 0 1 1407 Inf 3.16087744497216 0.195063298463906
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5638 M512T4176 M512T69.6 512 512 512 69.6081394901155 69.6081394901155 69.6081394901155 1 0 1 4411 Inf 1 0.5
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5639 M512T3732 M512.1T62.2 512.100036621094 512.100036621094 512.100036621094 62.206314950523 62.206314950523 62.206314950523 1 1 0 3577 14.4142225994137 -0.92839257323018 0.522441221732046
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5640 M512T4172 M512.1T69.5 512.100036621094 512.100036621094 512.100036621094 69.5403852759756 69.5403852759756 69.5403852759756 1 1 0 4412 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5641 M512T4139 M512.1T69 512.100036621094 512.100036621094 512.100036621094 68.9901597969697 68.9901597969697 68.9901597969697 1 1 0 110 1.43933891918359 0.419459882376558 0.73790362608253
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5642 M512T3334 M512.1T55.6 512.100036621094 512.100036621094 512.100036621094 55.5604491644334 55.5604491644334 55.5604491644334 1 1 0 1120 1.11567209703688 -0.140604343750066 0.902990809223165
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5643 M512T3122 M512.2T52 512.200012207031 512.200012207031 512.200012207031 52.0294233080015 51.9877302699441 52.0711163460589 2 2 0 149 2.41154523593934 -3.22768404252433 0.121139811017146
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5644 M512T2924 M512.2T48.7 512.200012207031 512.200012207031 512.200012207031 48.7301169562288 48.7301169562288 48.7301169562288 1 0 1 [M-H]- 513.205 60 1.10274841408303 -0.135511746388702 0.905459944190787
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5645 M512T2722 M512.2T45.4 512.200012207031 512.200012207031 512.200012207031 45.3614961692949 45.3614961692949 45.3614961692949 1 0 1 2465 1.57108681596492 -0.709402077810059 0.57734664194518
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5646 M512T3763 M512.2T62.7 512.200012207031 512.200012207031 512.200012207031 62.7130339881799 62.7130339881799 62.7130339881799 1 0 1 [109][M+2]- 13 1.45502156977344 0.36973950640608 0.751892322803594
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5647 M512T2923 M512.3T48.7 512.299987792969 512.299987792969 512.299987792969 48.7098174034064 48.7022458414622 48.7173889653506 2 2 0 [112][M]- 60 7.22674182048538 -0.988040680445759 0.503829538031243
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5648 M512T3500 M512.3T58.3 512.299987792969 512.299987792969 512.299987792969 58.3265122292451 58.3265122292451 58.3265122292451 1 0 1 3382 4.47714554000429 2.66028102462668 0.120544196212669
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5649 M512T3658 M512.3T61 512.299987792969 512.299987792969 512.299987792969 60.9684569543405 60.9684569543405 60.9684569543405 1 1 0 [M+Cl]- 477.328 47 1.0397955896936 0.0428956454098873 0.971856015090665
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5650 M512T4032 M512.3T67.2 512.299987792969 512.299987792969 512.299987792969 67.2033576072657 67.2033576072657 67.2033576072657 1 1 0 3775 1.07262716804312 -0.0618516887057536 0.958406399993505
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5651 M512T2762 M512.3T46 512.299987792969 512.299987792969 512.299987792969 46.0388921984412 46.0388921984412 46.0388921984412 1 0 1 3817 6.70533544021722 0.841557851385577 0.549743704397262
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5652 M512T3280 M512.4T54.7 512.400024414062 512.400024414062 512.400024414062 54.6650660579157 54.6650660579157 54.6650660579157 1 1 0 1247 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5653 M512T2627 M512.4T43.8 512.400024414062 512.400024414062 512.400024414062 43.790244246256 43.790244246256 43.790244246256 1 0 1 53 3.20691262136702 0.656973794567029 0.614950112869492
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5654 M512T4197 M512.5T69.9 512.5 512.5 512.5 69.9432067472274 69.9432067472274 69.9432067472274 1 0 1 6169 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5655 M513T2631 M512.7T43.9 512.700012207031 512.700012207031 512.700012207031 43.8538063268807 43.8538063268807 43.8538063268807 1 1 0 2664 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5656 M513T2798 M512.9T46.6 512.900024414062 512.900024414062 512.900024414062 46.6264255958417 46.6264255958417 46.6264255958417 1 1 0 3947 3.43993386521559 -0.681100978585315 0.605556142891573
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5657 M513T2595 M512.9T43.3 512.900024414062 512.900024414062 512.900024414062 43.2504829099392 43.2504829099392 43.2504829099392 1 1 0 61 3.95514511873334 -0.724370491240223 0.589462613978158
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5658 M513T2558 M512.9T42.6 512.900024414062 512.900024414062 512.900024414062 42.6411014146668 42.6411014146668 42.6411014146668 1 0 1 [M-H-CH4S]- 561.925 [M-H-CH4O2]- 561.925 65 2.34633682207408 0.527861729727051 0.671122100038423
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5659 M513T2834 M513T47.2 513 513 513 47.2294292933091 47.2294292933091 47.2294292933091 1 1 0 4572 1.1345965336719 0.0889961927784866 0.937307514133383
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5660 M513T3188 M513T53.1 513 513 513 53.129445212661 53.129445212661 53.129445212661 1 0 1 2201 3.94748096949709 0.723810066170466 0.58966528371851
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5661 M513T2807 M513T46.8 513 513 513 46.7760654612917 46.7760654612917 46.7760654612917 1 1 0 6031 2.63922668596327 -0.580807234871227 0.646819425860282
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5662 M513T3597 M513T59.9 513 513 513 59.9429220702058 59.9429220702058 59.9429220702058 1 0 1 1456 Inf 1.8928164649427 0.309423186954904
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5663 M513T3994 M513T66.6 513 513 513 66.5688165444256 66.5688165444256 66.5688165444256 1 1 0 118 10.1725271234265 -2.10987970915896 0.261576362393367
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5664 M513T3447 M513T57.4 513 513 513 57.4459985873306 57.4459985873306 57.4459985873306 1 0 1 2934 Inf 1.72534628574406 0.334403496955874
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5665 M513T2612 M513T43.5 513 513 513 43.5373829099392 43.5373829099392 43.5373829099392 1 1 0 4028 1.16320626520604 -0.193740434695414 0.865496137764904
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5666 M513T3154 M513T52.6 513 513 513 52.5590605631177 52.5590605631177 52.5590605631177 1 1 0 3041 1.83032753673899 -0.398107056874756 0.738563270317939
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5667 M513T3966 M513T66.1 513 513 513 66.0922343927749 66.0922343927749 66.0922343927749 1 1 0 2075 3.63885157306927 -1.51809673370552 0.281719976639638
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5668 M513T3685 M513.1T61.4 513.100036621094 513.100036621094 513.100036621094 61.423457484307 61.4135358681511 61.4333791004629 2 2 0 [M-H]- 514.111 5 5.93166215200798 -2.85875048425239 0.116315847657106
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5669 M513T3541 M513.1T59 513.100036621094 513.100036621094 513.100036621094 59.012448171988 59.012448171988 59.012448171988 1 0 1 1972 16.6969892993886 1.8511534883806 0.310073006383849
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5670 M513T2905 M513.2T48.4 513.200012207031 513.200012207031 513.200012207031 48.4195025289281 48.4195025289281 48.4195025289281 1 1 0 3933 3.35131841269911 -0.982798953027211 0.504508813298537
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5671 M513T3661 M513.2T61 513.200012207031 513.200012207031 513.200012207031 61.0149726434676 61.0149726434676 61.0149726434676 1 0 1 [M+Cl]- 478.236 2 1.01657381721998 0.0250423964255237 0.982616736744679
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5672 M513T4014 M513.2T66.9 513.200012207031 513.200012207031 513.200012207031 66.8926125113813 66.8926125113813 66.8926125113813 1 0 1 5204 1.70571420988729 0.968048707461244 0.469437127771181
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5673 M513T2938 M513.2T49 513.200012207031 513.200012207031 513.200012207031 48.961215067611 48.961215067611 48.961215067611 1 1 0 [M-H]- 514.205 57 7.94540839287566 -0.939958617252104 0.519649265339392
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5674 M513T2924 M513.3T48.7 513.299987792969 513.299987792969 513.299987792969 48.7290621476302 48.6765065630123 48.781617732248 2 1 1 [112][M+1]- 60 4.00670709226539 -0.75027415643342 0.582769691861862
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5675 M513T2617 M513.3T43.6 513.299987792969 513.299987792969 513.299987792969 43.6205214460137 43.6205214460137 43.6205214460137 1 1 0 5639 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5676 M513T3838 M513.3T64 513.299987792969 513.299987792969 513.299987792969 63.9719969850716 63.9719969850716 63.9719969850716 1 1 0 69 6.83329094567921 -0.860215865544352 0.546569810845574
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5677 M513T3396 M513.3T56.6 513.299987792969 513.299987792969 513.299987792969 56.5988172147845 56.5988172147845 56.5988172147845 1 1 0 495 Inf -1.57254147552151 0.360586914579889
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5678 M513T3346 M513.3T55.8 513.299987792969 513.299987792969 513.299987792969 55.7716673141231 55.7716673141231 55.7716673141231 1 0 1 814 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5679 M513T4020 M513.3T67 513.299987792969 513.299987792969 513.299987792969 66.9964991996827 66.9964991996827 66.9964991996827 1 0 1 5582 1.22260167233519 0.256790454602195 0.827839397536537
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5680 M513T2815 M513.4T46.9 513.400024414062 513.400024414062 513.400024414062 46.9157056529786 46.8328732615757 46.9985380443816 2 1 1 3304 1.13355905419529 0.0883556653967371 0.937755356776581
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5681 M513T3305 M513.4T55.1 513.400024414062 513.400024414062 513.400024414062 55.0876980085848 55.0876980085848 55.0876980085848 1 1 0 551 1.98559335744902 -0.443323620146984 0.713791144697457
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5682 M513T2740 M513.4T45.7 513.400024414062 513.400024414062 513.400024414062 45.6744743836579 45.6744743836579 45.6744743836579 1 0 1 4436 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5683 M513T3634 M513.4T60.6 513.400024414062 513.400024414062 513.400024414062 60.5654924402783 60.5654924402783 60.5654924402783 1 0 1 2366 1.78983549962741 0.385239268342234 0.745854425452243
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5684 M513T2605 M513.4T43.4 513.400024414062 513.400024414062 513.400024414062 43.4118547793471 43.4118547793471 43.4118547793471 1 1 0 5241 2.75870445344131 -0.599349202983875 0.638735566006979
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5685 M513T3957 M513.4T66 513.400024414062 513.400024414062 513.400024414062 65.9533389124641 65.9533389124641 65.9533389124641 1 0 1 5398 Inf 25.392426030359 0.0250582973209574
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5686 M513T3514 M513.4T58.6 513.400024414062 513.400024414062 513.400024414062 58.568217652388 58.568217652388 58.568217652388 1 1 0 422 6.90632616796364 -1.29246492588933 0.417464836888612
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5687 M514T4074 M513.5T67.9 513.5 513.5 513.5 67.9029493123408 67.9029493123408 67.9029493123408 1 0 1 3904 Inf 1 0.5
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5688 M514T3410 M513.9T56.8 513.900024414062 513.900024414062 513.900024414062 56.8330184481852 56.8330184481852 56.8330184481852 1 1 0 2552 Inf -1 0.5
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5689 M514T2534 M513.9T42.2 513.900024414062 513.900024414062 513.900024414062 42.2332662432725 42.2332662432725 42.2332662432725 1 1 0 227 Inf -1 0.5
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5690 M514T2960 M514T49.3 514 514 514 49.3360748876224 49.3360748876224 49.3360748876224 1 1 0 3275 Inf -1.39563499867819 0.395803827453998
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5691 M514T3102 M514T51.7 514 514 514 51.7038894781849 51.7038894781849 51.7038894781849 1 1 0 3147 Inf -1 0.5
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5692 M514T3988 M514T66.5 514 514 514 66.4629316977324 66.4629316977324 66.4629316977324 1 1 0 4474 Inf -1.58298829343724 0.358680915421061
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5693 M514T2902 M514.1T48.4 514.100036621094 514.100036621094 514.100036621094 48.3676185340835 48.3676185340835 48.3676185340835 1 1 0 203 3.62244642288657 -1.50977702350464 0.283482913695606
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5694 M514T3772 M514.1T62.9 514.100036621094 514.100036621094 514.100036621094 62.8703040107568 62.8703040107568 62.8703040107568 1 0 1 1005 1.29651580091703 -0.209665862901196 0.853346796699874
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5695 M514T3863 M514.1T64.4 514.100036621094 514.100036621094 514.100036621094 64.3845628633249 64.3845628633249 64.3845628633249 1 0 1 1408 2.670704085669 0.585845661629418 0.644601312287314
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5696 M514T3840 M514.2T64 514.200012207031 514.200012207031 514.200012207031 63.9986974121446 63.9986974121446 63.9986974121446 1 1 0 69 2.98225050262399 -0.744345251840197 0.578542915554032
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5697 M514T4122 M514.2T68.7 514.200012207031 514.200012207031 514.200012207031 68.7075920019962 68.7075920019962 68.7075920019962 1 0 1 1733 12.0679007701269 1.91604508322542 0.294908432492563
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5698 M514T3830 M514.3T63.8 514.299987792969 514.299987792969 514.299987792969 63.8381409060718 63.8381409060718 63.8381409060718 1 1 0 3358 3.34562530813419 -0.682567959344043 0.60931613854872
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5699 M514T2922 M514.3T48.7 514.299987792969 514.299987792969 514.299987792969 48.7022458414622 48.7022458414622 48.7022458414622 1 1 0 [112][M+2]- 60 4.07360058636053 -0.913176324478736 0.526397506561682
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5700 M514T2537 M514.4T42.3 514.400024414062 514.400024414062 514.400024414062 42.2854329099392 42.2854329099392 42.2854329099392 1 1 0 5914 4.03247844795684 -0.729904810190896 0.58746888786848
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5701 M514T2745 M514.4T45.8 514.400024414062 514.400024414062 514.400024414062 45.7567892601721 45.7567892601721 45.7567892601721 1 0 1 4604 Inf 1 0.5
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5702 M514T2811 M514.4T46.9 514.400024414062 514.400024414062 514.400024414062 46.8560055557137 46.8560055557137 46.8560055557137 1 1 0 3305 Inf -1 0.5
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5703 M514T2781 M514.4T46.4 514.400024414062 514.400024414062 514.400024414062 46.3513925801032 46.3513925801032 46.3513925801032 1 1 0 4278 Inf -1 0.5
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5704 M514T3250 M514.5T54.2 514.5 514.5 514.5 54.1588324107296 54.1588324107296 54.1588324107296 1 1 0 1927 Inf -1 0.5
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5705 M514T2764 M514.5T46.1 514.5 514.5 514.5 46.0727166645049 46.0727166645049 46.0727166645049 1 0 1 3808 Inf 1 0.5
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5706 M514T2977 M514.5T49.6 514.5 514.5 514.5 49.6106672886108 49.6106672886108 49.6106672886108 1 0 1 159 1.18052012791051 -0.116680243018232 0.918028418884009
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5707 M514T3981 M514.5T66.3 514.5 514.5 514.5 66.3431734683135 66.3431734683135 66.3431734683135 1 0 1 183 2.29423299878975 0.555150142801982 0.672746542434166
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5708 M514T3792 M514.5T63.2 514.5 514.5 514.5 63.1954378138675 63.1954378138675 63.1954378138675 1 1 0 5767 Inf -1 0.5
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5709 M514T4135 M514.5T68.9 514.5 514.5 514.5 68.9109701073071 68.9109701073071 68.9109701073071 1 0 1 3991 Inf 1 0.5
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5710 M514T3851 M514.5T64.2 514.5 514.5 514.5 64.1880616961356 64.1880616961356 64.1880616961356 1 0 1 1409 Inf 1 0.5
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5711 M515T2739 M514.7T45.6 514.700012207031 514.700012207031 514.700012207031 45.6459308446171 45.6459308446171 45.6459308446171 1 1 0 4437 Inf -1 0.5
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5712 M515T2634 M514.8T43.9 514.799987792969 514.799987792969 514.799987792969 43.9069896798045 43.9069896798045 43.9069896798045 1 1 0 2665 5.04562695813938 -0.786510354429158 0.567811565424544
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5713 M515T2837 M514.9T47.3 514.900024414062 514.900024414062 514.900024414062 47.286187329042 47.286187329042 47.286187329042 1 0 1 4640 1.63606661095304 0.331720779305229 0.777277258722276
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5714 M515T2719 M514.9T45.3 514.900024414062 514.900024414062 514.900024414062 45.3215323903935 45.3215323903935 45.3215323903935 1 1 0 2518 3.17863900929958 -0.779263641470741 0.553468966283663
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5715 M515T2642 M514.9T44 514.900024414062 514.900024414062 514.900024414062 44.0399280322477 44.0399280322477 44.0399280322477 1 1 0 5672 15.4240905069498 -0.933207090258752 0.520943791025041
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5716 M515T4073 M515T67.9 515 515 515 67.8770961199015 67.8770961199015 67.8770961199015 1 0 1 3905 1.0054445030115 -0.00383937905670139 0.997285168138966
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5717 M515T2705 M515T45.1 515 515 515 45.090055008527 45.090055008527 45.090055008527 1 1 0 4873 5.82091253730861 -1.05159196688801 0.471148111281365
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5718 M515T3060 M515T51 515 515 515 50.9984475248878 50.9984475248878 50.9984475248878 1 0 1 5413 Inf 1 0.5
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5719 M515T2882 M515T48 515 515 515 48.0354737264484 48.0354737264484 48.0354737264484 1 0 1 4741 Inf 1 0.5
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5720 M515T2956 M515T49.3 515 515 515 49.2660849033677 49.2660849033677 49.2660849033677 1 0 1 3196 1.00402984241209 0.00284379311648812 0.997989142366771
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5721 M515T3714 M515T61.9 515 515 515 61.8971068061294 61.8971068061294 61.8971068061294 1 1 0 [M+Cl]- 480.025 17 6.55268082981878 -0.837692093879629 0.550986266350581
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5722 M515T3764 M515T62.7 515 515 515 62.7261187804133 62.7261187804133 62.7261187804133 1 1 0 1006 Inf -1 0.5
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5723 M515T3983 M515T66.4 515 515 515 66.3835047023264 66.3835047023264 66.3835047023264 1 1 0 4507 9.48242568005156 -1.0957165804777 0.466223530080315
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5724 M515T3604 M515T60.1 515 515 515 60.0745266554824 60.0745266554824 60.0745266554824 1 1 0 1457 Inf -1 0.5
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5725 M515T2800 M515T46.7 515 515 515 46.6673199901314 46.6673199901314 46.6673199901314 1 0 1 3935 1.19568353773358 0.303008965460414 0.810640179934944
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5726 M515T2778 M515T46.3 515 515 515 46.2937117304691 46.2937117304691 46.2937117304691 1 0 1 4269 Inf 2.54942887611825 0.237970354809879
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5727 M515T3867 M515.1T64.5 515.100036621094 515.100036621094 515.100036621094 64.4542135019796 64.4542135019796 64.4542135019796 1 1 0 1410 1.58701181432078 -0.343052963443008 0.778264576010831
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5728 M515T3657 M515.2T60.9 515.200012207031 515.200012207031 515.200012207031 60.9425957571376 60.9425957571376 60.9425957571376 1 1 0 [M-H+CF3COOH]- 402.225 [M+Cl]- 480.232 47 4.52845917678807 -0.959481493883532 0.508239037550594
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5729 M515T3401 M515.2T56.7 515.200012207031 515.200012207031 515.200012207031 56.6765408961091 56.6765408961091 56.6765408961091 1 1 0 1331 2.03903215186645 -0.882772978225086 0.52486731744011
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5730 M515T3478 M515.3T58 515.299987792969 515.299987792969 515.299987792969 57.9618704794128 57.9618704794128 57.9618704794128 1 1 0 1769 3.71009946642924 0.705295132828863 0.596443825003653
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5731 M515T4014 M515.3T66.9 515.299987792969 515.299987792969 515.299987792969 66.8926125113813 66.8926125113813 66.8926125113813 1 0 1 5233 5.72006991909749 3.87118992887072 0.0724562293048563
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5732 M515T3524 M515.4T58.7 515.400024414062 515.400024414062 515.400024414062 58.7278077273236 58.7278077273236 58.7278077273236 1 0 1 357 Inf 1.44831901219557 0.384703965894553
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5733 M515T3102 M515.4T51.7 515.400024414062 515.400024414062 515.400024414062 51.7037873326713 51.7037873326713 51.7037873326713 1 1 0 3148 2.85913440079469 -0.613784681773167 0.632590451283335
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5734 M515T3153 M515.4T52.6 515.400024414062 515.400024414062 515.400024414062 52.5571924127999 52.5571924127999 52.5571924127999 1 0 1 3042 6.12144102227982 0.825694833090317 0.554865024661556
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5735 M515T4138 M515.4T69 515.400024414062 515.400024414062 515.400024414062 68.9703791674612 68.9703791674612 68.9703791674612 1 0 1 3992 2.0028479739524 0.447976845029023 0.711318140955361
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5736 M516T2909 M515.6T48.5 515.600036621094 515.600036621094 515.600036621094 48.4902198805205 48.4902198805205 48.4902198805205 1 0 1 [M-H-CH3]- 531.631 56 3.45595500044515 0.723542125629063 0.585000008621716
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5737 M516T3738 M515.6T62.3 515.600036621094 515.600036621094 515.600036621094 62.2933008732179 62.2933008732179 62.2933008732179 1 1 0 5200 Inf -1 0.5
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5738 M516T3716 M515.9T61.9 515.900024414062 515.900024414062 515.900024414062 61.932895495876 61.932895495876 61.932895495876 1 0 1 [M-H-CO]- 544.906 17 2.17361406790708 0.490515578652027 0.689381080059318
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5739 M516T2925 M515.9T48.8 515.900024414062 515.900024414062 515.900024414062 48.7538850004983 48.7538850004983 48.7538850004983 1 1 0 60 3.39660118715491 -0.761238131174098 0.573875128129214
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5740 M516T3925 M515.9T65.4 515.900024414062 515.900024414062 515.900024414062 65.4232776298017 65.4232776298017 65.4232776298017 1 0 1 3014 1.20097913183882 0.128601767584902 0.909778825980727
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5741 M516T2560 M515.9T42.7 515.900024414062 515.900024414062 515.900024414062 42.6671847480001 42.6671847480001 42.6671847480001 1 0 1 3085 Inf 1 0.5
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5742 M516T2670 M515.9T44.5 515.900024414062 515.900024414062 515.900024414062 44.5026396187837 44.5026396187837 44.5026396187837 1 0 1 4054 Inf 1 0.5
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5743 M516T2623 M515.9T43.7 515.900024414062 515.900024414062 515.900024414062 43.711089276949 43.711089276949 43.711089276949 1 0 1 2612 Inf 1.32544753522227 0.41147968320993
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5744 M516T2790 M515.9T46.5 515.900024414062 515.900024414062 515.900024414062 46.4920429574181 46.4920429574181 46.4920429574181 1 0 1 [M+Cl]- 480.93 12 Inf 3.05307501309195 0.201506891394382
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5745 M516T3292 M516T54.9 516 516 516 54.8699801087332 54.8699801087332 54.8699801087332 1 0 1 205 1.01323496474335 -0.016886050448363 0.988680886331718
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5746 M516T3512 M516T58.5 516 516 516 58.5309526476183 58.5309526476183 58.5309526476183 1 1 0 4530 37.7538934391091 -1.16276128083684 0.451882628772587
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5747 M516T3680 M516T61.3 516 516 516 61.3293438226592 61.3293438226592 61.3293438226592 1 1 0 3695 Inf -1 0.5
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5748 M516T3976 M516T66.3 516 516 516 66.2671959497008 66.2671959497008 66.2671959497008 1 0 1 1981 4.09630473272359 0.734313191282786 0.585890627230697
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5749 M516T3995 M516T66.6 516 516 516 66.5850210982602 66.5850210982602 66.5850210982602 1 1 0 5443 Inf -1 0.5
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5750 M516T4063 M516.1T67.7 516.100036621094 516.100036621094 516.100036621094 67.7094807306269 67.7094807306269 67.7094807306269 1 0 1 5800 3.06305972492562 1.18497434395782 0.369492766606984
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5751 M516T3718 M516.1T62 516.100036621094 516.100036621094 516.100036621094 61.9748588051615 61.9748588051615 61.9748588051615 1 0 1 3451 1.26880696119679 -0.226831508209022 0.844907742600903
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5752 M516T3101 M516.2T51.7 516.200012207031 516.200012207031 516.200012207031 51.688977175605 51.688977175605 51.688977175605 1 0 1 3149 3.51013409607602 0.984198370496074 0.505021635480055
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5753 M516T2877 M516.3T48 516.299987792969 516.299987792969 516.299987792969 47.9546495625199 47.9546495625199 47.9546495625199 1 0 1 4742 1.0713704593602 -0.0486987785725633 0.965603720848861
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5754 M516T3136 M516.3T52.3 516.299987792969 516.299987792969 516.299987792969 52.2726919895363 52.2726919895363 52.2726919895363 1 1 0 67 Inf -1 0.5
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5755 M516T3046 M516.3T50.8 516.299987792969 516.299987792969 516.299987792969 50.7651973010075 50.7651973010075 50.7651973010075 1 0 1 141 5.41030009681916 3.06342850952209 0.0922167811314893
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5756 M516T2622 M516.3T43.7 516.299987792969 516.299987792969 516.299987792969 43.7000750980697 43.7000750980697 43.7000750980697 1 1 0 2666 8.3970272414332 -0.874729205819218 0.539203409581991
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5757 M516T2567 M516.3T42.8 516.299987792969 516.299987792969 516.299987792969 42.7809995766058 42.7809995766058 42.7809995766058 1 1 0 5863 Inf -1 0.5
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5758 M516T3664 M516.4T61.1 516.400024414062 516.400024414062 516.400024414062 61.0677260191083 61.0677260191083 61.0677260191083 1 0 1 454 1.28469661248878 -0.208268128043806 0.855101692741102
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5759 M516T3161 M516.4T52.7 516.400024414062 516.400024414062 516.400024414062 52.6786376907895 52.6786376907895 52.6786376907895 1 0 1 842 Inf 1 0.5
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5760 M516T3026 M516.4T50.4 516.400024414062 516.400024414062 516.400024414062 50.4279564042043 50.4279564042043 50.4279564042043 1 0 1 39 Inf 1 0.5
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5761 M516T3786 M516.4T63.1 516.400024414062 516.400024414062 516.400024414062 63.1080703628007 63.1080703628007 63.1080703628007 1 0 1 4458 4.81534253506076 0.775778662016061 0.571443426495247
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5762 M516T3973 M516.4T66.2 516.400024414062 516.400024414062 516.400024414062 66.2246272614404 66.2246272614404 66.2246272614404 1 1 0 2056 1.519897245386 -0.300864001496061 0.799144063122264
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5763 M516T4176 M516.5T69.6 516.5 516.5 516.5 69.6081394901155 69.6081394901155 69.6081394901155 1 0 1 4413 4.93216715023477 0.781351284559553 0.569552455854212
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5764 M516T4138 M516.5T69 516.5 516.5 516.5 68.9640534798681 68.9640534798681 68.9640534798681 1 1 0 3993 12.1456498852156 -0.914571342053415 0.526741269194555
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5765 M517T3719 M516.6T62 516.600036621094 516.600036621094 516.600036621094 61.9797614439352 61.9797614439352 61.9797614439352 1 1 0 3452 Inf -1 0.5
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5766 M517T2652 M516.8T44.2 516.799987792969 516.799987792969 516.799987792969 44.207951368371 44.207951368371 44.207951368371 1 1 0 5847 6.0858967691456 -1.05028471667119 0.472859121127737
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5767 M517T2828 M516.8T47.1 516.799987792969 516.799987792969 516.799987792969 47.1285769709032 47.1285769709032 47.1285769709032 1 0 1 4586 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5768 M517T2959 M516.9T49.3 516.900024414062 516.900024414062 516.900024414062 49.3217640257757 49.240356448294 49.4031716032574 2 1 1 3276 1.69619310938767 -0.494164158493545 0.670134184816762
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5769 M517T3969 M516.9T66.1 516.900024414062 516.900024414062 516.900024414062 66.1451987706191 66.1451987706191 66.1451987706191 1 1 0 2057 Inf -1 0.5
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5770 M517T2988 M516.9T49.8 516.900024414062 516.900024414062 516.900024414062 49.7941270071295 49.7941270071295 49.7941270071295 1 1 0 4622 Inf -1 0.5
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5771 M517T3379 M516.9T56.3 516.900024414062 516.900024414062 516.900024414062 56.3156368424134 56.3156368424134 56.3156368424134 1 1 0 1584 8.23616751059163 -6.76997327964184 0.0588766278452475
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5772 M517T3603 M516.9T60.1 516.900024414062 516.900024414062 516.900024414062 60.0523893783347 60.0523893783347 60.0523893783347 1 0 1 1458 2.08501534358325 0.469211936827681 0.700215770911538
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5773 M517T3342 M516.9T55.7 516.900024414062 516.900024414062 516.900024414062 55.6956714714343 55.6956714714343 55.6956714714343 1 1 0 802 5.3819976822057 -0.800494749028167 0.563137518831099
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5774 M517T2893 M517T48.2 517 517 517 48.2239900144358 48.2239900144358 48.2239900144358 1 0 1 [M+Cl]- 482.029 95 1.39023961643443 1.99797913291282 0.292299777857957
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5775 M517T3487 M517T58.1 517 517 517 58.120684287319 58.120684287319 58.120684287319 1 0 1 1806 7.08647054660706 1.0309258930715 0.48261403342666
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5776 M517T3964 M517T66.1 517 517 517 66.0657522524812 66.0657522524812 66.0657522524812 1 1 0 2058 1.25125039345984 -0.272756196234178 0.81066464031805
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5777 M517T3167 M517T52.8 517 517 517 52.7846349827584 52.7846349827584 52.7846349827584 1 0 1 761 10.6228021975213 0.901875575421974 0.530697632679687
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5778 M517T4038 M517T67.3 517 517 517 67.3077590567051 67.3077590567051 67.3077590567051 1 0 1 3776 2.99263024727881 0.631521085987321 0.625213560967272
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5779 M517T2910 M517.1T48.5 517.100036621094 517.100036621094 517.100036621094 48.4959476849825 48.4195025289281 48.5723928410368 2 1 1 56 1.49499254234935 -0.48676314361492 0.706306845170707
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5780 M517T3109 M517.1T51.8 517.100036621094 517.100036621094 517.100036621094 51.808915566138 51.808915566138 51.808915566138 1 1 0 3150 22.811566765837 -2.63450989099528 0.225129190618529
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5781 M517T3778 M517.1T63 517.100036621094 517.100036621094 517.100036621094 62.9612369080127 62.9612369080127 62.9612369080127 1 1 0 3679 3.15138322690431 -1.08500626005846 0.413717994054285
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5782 M517T2942 M517.1T49 517.100036621094 517.100036621094 517.100036621094 49.0390862979343 49.0390862979343 49.0390862979343 1 1 0 [M-H-HCNO]- 561.109 57 3.20636191667235 -0.716225095788455 0.604092434616993
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5783 M517T2678 M517.2T44.6 517.200012207031 517.200012207031 517.200012207031 44.6268612270024 44.6268612270024 44.6268612270024 1 0 1 666 4.71402549918555 0.770716630580748 0.57317089967376
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5784 M517T4060 M517.2T67.7 517.200012207031 517.200012207031 517.200012207031 67.6702040136817 67.6702040136817 67.6702040136817 1 0 1 4707 1.31704694671259 -3.61599499705398 0.0687023558384237
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5785 M517T3254 M517.2T54.2 517.200012207031 517.200012207031 517.200012207031 54.2389952098244 54.2389952098244 54.2389952098244 1 1 0 [M-H-CH3]- 533.231 34 1.35220503500366 -0.427716824371352 0.720255705149201
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5786 M517T2922 M517.2T48.7 517.200012207031 517.200012207031 517.200012207031 48.7022458414622 48.7022458414622 48.7022458414622 1 1 0 [M-H+NaCOOH]- 450.227 60 11.6723329420224 -1.16171508181492 0.451001924343273
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5787 M517T2665 M517.3T44.4 517.299987792969 517.299987792969 517.299987792969 44.4112903647173 44.4112903647173 44.4112903647173 1 1 0 2269 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5788 M517T2776 M517.3T46.3 517.299987792969 517.299987792969 517.299987792969 46.2625650369449 46.2625650369449 46.2625650369449 1 1 0 151 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5789 M517T4105 M517.4T68.4 517.400024414062 517.400024414062 517.400024414062 68.4126241167387 68.4126241167387 68.4126241167387 1 1 0 5647 3.04895341238163 -0.638550649836632 0.622341568488303
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5790 M517T3080 M517.4T51.3 517.400024414062 517.400024414062 517.400024414062 51.335593691475 51.335593691475 51.335593691475 1 1 0 3530 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5791 M517T2641 M517.4T44 517.400024414062 517.400024414062 517.400024414062 44.0145565827315 44.0145565827315 44.0145565827315 1 0 1 5673 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5792 M517T3329 M517.4T55.5 517.400024414062 517.400024414062 517.400024414062 55.4850204808216 55.4850204808216 55.4850204808216 1 0 1 15 Inf 1.11276539563086 0.466053671455727
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5793 M517T3363 M517.4T56.1 517.400024414062 517.400024414062 517.400024414062 56.0545045338819 56.0545045338819 56.0545045338819 1 0 1 4664 1.24399375182492 0.152869155089609 0.893101656165204
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5794 M517T3239 M517.4T54 517.400024414062 517.400024414062 517.400024414062 53.9867271823243 53.9867271823243 53.9867271823243 1 1 0 3468 Inf -1 0.5
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5795 M518T3789 M517.5T63.1 517.5 517.5 517.5 63.1444118488917 63.1444118488917 63.1444118488917 1 1 0 4459 Inf -1 0.5
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5796 M518T2623 M517.5T43.7 517.5 517.5 517.5 43.711089276949 43.711089276949 43.711089276949 1 0 1 2613 Inf 1.50786052825494 0.372799908581468
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5797 M518T3527 M517.5T58.8 517.5 517.5 517.5 58.7780081104952 58.7780081104952 58.7780081104952 1 1 0 423 7.009626563974 -0.848745652841898 0.547442039172194
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5798 M518T3566 M517.5T59.4 517.5 517.5 517.5 59.4386146354483 59.4386146354483 59.4386146354483 1 1 0 1627 8.52416645373595 -0.876674490921928 0.538591006738281
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5799 M518T2569 M517.7T42.8 517.700012207031 517.700012207031 517.700012207031 42.8095278044834 42.8095278044834 42.8095278044834 1 0 1 5297 Inf 1 0.5
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5800 M518T2662 M517.7T44.4 517.700012207031 517.700012207031 517.700012207031 44.367864492896 44.367864492896 44.367864492896 1 1 0 2270 8.05612049200252 -0.869200026627428 0.54094706865371
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5801 M518T3172 M517.7T52.9 517.700012207031 517.700012207031 517.700012207031 52.8722617831009 52.8722617831009 52.8722617831009 1 1 0 788 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5802 M518T2682 M517.8T44.7 517.799987792969 517.799987792969 517.799987792969 44.7008009682578 44.7008009682578 44.7008009682578 1 1 0 667 Inf -1 0.5
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5803 M518T3104 M517.9T51.7 517.900024414062 517.900024414062 517.900024414062 51.7296528300039 51.7296528300039 51.7296528300039 1 1 0 3151 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5804 M518T2878 M517.9T48 517.900024414062 517.900024414062 517.900024414062 47.9683825080954 47.9683825080954 47.9683825080954 1 0 1 131 Inf 1 0.5
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5805 M518T3235 M517.9T53.9 517.900024414062 517.900024414062 517.900024414062 53.9113482599675 53.9113482599675 53.9113482599675 1 0 1 2722 Inf 1 0.5
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5806 M518T3241 M518T54 518 518 518 54.0159031517822 54.0159031517822 54.0159031517822 1 0 1 80 2.16074498386023 0.557125782779208 0.647205774632677
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5807 M518T3809 M518T63.5 518 518 518 63.4777083141576 63.4777083141576 63.4777083141576 1 0 1 3714 Inf 1 0.5
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5808 M518T3975 M518T66.3 518 518 518 66.2511083848454 66.2511083848454 66.2511083848454 1 1 0 2059 Inf -2.53508704166671 0.23919375755024
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5809 M518T4011 M518T66.8 518 518 518 66.8466930069908 66.8466930069908 66.8466930069908 1 1 0 5234 8.57741786470084 -0.877471579515687 0.538340223186697
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5810 M518T2974 M518T49.6 518 518 518 49.5594860383117 49.5594860383117 49.5594860383117 1 1 0 235 2.47336103036712 -1.72021215020281 0.309204611175808
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5811 M518T4087 M518.1T68.1 518.100036621094 518.100036621094 518.100036621094 68.1097117407023 68.1097117407023 68.1097117407023 1 0 1 143 1.45725342880582 0.619167482461757 0.647045763627084
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5812 M518T3402 M518.2T56.7 518.200012207031 518.200012207031 518.200012207031 56.6992133694781 56.6959090926017 56.7025176463546 2 1 1 20 1.08408852393833 0.204903987740701 0.868901703298385
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5813 M518T2919 M518.2T48.7 518.200012207031 518.200012207031 518.200012207031 48.650806428958 48.650806428958 48.650806428958 1 1 0 [M-H-HC2N]- 558.21 56 4.3188998024808 -0.929167921237626 0.522130095875758
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5814 M518T3380 M518.2T56.3 518.200012207031 518.200012207031 518.200012207031 56.3371477405252 56.3371477405252 56.3371477405252 1 1 0 [113][M]- [M-H-C2H2]- 545.228 25 1.54720931914964 -0.553316934668494 0.650496763391379
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5815 M518T4475 M518.2T74.6 518.200012207031 518.200012207031 518.200012207031 74.5776370460506 74.5776370460506 74.5776370460506 1 1 0 6202 Inf -1 0.5
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5816 M518T3507 M518.3T58.5 518.299987792969 518.299987792969 518.299987792969 58.4553891318513 58.4553891318513 58.4553891318513 1 0 1 3383 3.3897786929302 -0.869774049938892 0.530125976171212
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5817 M518T3127 M518.3T52.1 518.299987792969 518.299987792969 518.299987792969 52.1226272082927 52.1226272082927 52.1226272082927 1 0 1 5592 10.4892331268061 4.77360088354351 0.0618885556052202
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5818 M518T3663 M518.3T61 518.299987792969 518.299987792969 518.299987792969 61.0459938476358 61.0459938476358 61.0459938476358 1 1 0 455 Inf -1 0.5
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5819 M518T3162 M518.3T52.7 518.299987792969 518.299987792969 518.299987792969 52.7051393890334 52.7051393890334 52.7051393890334 1 0 1 843 Inf 1 0.5
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5820 M518T3524 M518.4T58.7 518.400024414062 518.400024414062 518.400024414062 58.7411389673312 58.7411389673312 58.7411389673312 1 0 1 424 3.77277800634205 -0.710411867367695 0.594554173805241
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5821 M518T2884 M518.4T48.1 518.400024414062 518.400024414062 518.400024414062 48.0628003565 48.0628003565 48.0628003565 1 1 0 5500 2.24694302272876 0.507006685533441 0.681203200435108
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5822 M518T4125 M518.4T68.8 518.400024414062 518.400024414062 518.400024414062 68.7535956844859 68.7535956844859 68.7535956844859 1 1 0 [M-H-CH4]- 535.433 [M-H-C2N2]- 571.411 23 2.21347092791956 -0.49960121179649 0.6848529692728
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5823 M518T4072 M518.4T67.9 518.400024414062 518.400024414062 518.400024414062 67.8617801767434 67.8617801767434 67.8617801767434 1 1 0 3854 1.1781144612293 -0.115262021478742 0.919012081051897
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5824 M518T2931 M518.4T48.8 518.400024414062 518.400024414062 518.400024414062 48.8458398001822 48.8458398001822 48.8458398001822 1 1 0 3630 5.16165027407513 -0.791545479597673 0.56612126307191
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5825 M518T4031 M518.4T67.2 518.400024414062 518.400024414062 518.400024414062 67.1769530467356 67.1769530467356 67.1769530467356 1 1 0 3777 22.8982090308161 -1.4419542857078 0.384540342215509
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5826 M518T2573 M518.4T42.9 518.400024414062 518.400024414062 518.400024414062 42.8877611378167 42.8877611378167 42.8877611378167 1 0 1 6076 1.78413654618474 0.383389600777328 0.746911100257067
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5827 M518T4009 M518.5T66.8 518.5 518.5 518.5 66.8205274164213 66.8205274164213 66.8205274164213 1 1 0 5235 Inf -1 0.5
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5828 M519T3808 M518.7T63.5 518.700012207031 518.700012207031 518.700012207031 63.4673047699869 63.4673047699869 63.4673047699869 1 0 1 3715 Inf 1 0.5
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5829 M519T3269 M518.8T54.5 518.799987792969 518.799987792969 518.799987792969 54.4782590409328 54.4782590409328 54.4782590409328 1 0 1 5476 Inf 1 0.5
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5830 M519T3711 M518.8T61.8 518.799987792969 518.799987792969 518.799987792969 61.843950309921 61.843950309921 61.843950309921 1 0 1 1190 Inf 1 0.5
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5831 M519T2684 M518.9T44.7 518.900024414062 518.900024414062 518.900024414062 44.7402216334792 44.7402216334792 44.7402216334792 1 0 1 [M+Cl]- 483.933 [M-H-CH2O]- 549.926 6 1.48716640190204 -0.457949759348553 0.713474258662216
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5832 M519T2921 M518.9T48.7 518.900024414062 518.900024414062 518.900024414062 48.6765065630123 48.6765065630123 48.6765065630123 1 1 0 60 2.09567911245862 -0.516709865462098 0.693211984815738
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5833 M519T3717 M518.9T61.9 518.900024414062 518.900024414062 518.900024414062 61.9486549392737 61.9486549392737 61.9486549392737 1 0 1 1191 Inf 1 0.5
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5834 M519T2716 M518.9T45.3 518.900024414062 518.900024414062 518.900024414062 45.2656928897738 45.2656928897738 45.2656928897738 1 0 1 49 3.56844088665133 1.2149769126561 0.378929239789693
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5835 M519T4141 M518.9T69 518.900024414062 518.900024414062 518.900024414062 69.0162711786498 69.0162711786498 69.0162711786498 1 1 0 4241 Inf -2.0089842902741 0.294027417339516
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5836 M519T2870 M518.9T47.8 518.900024414062 518.900024414062 518.900024414062 47.8373313692403 47.8373313692403 47.8373313692403 1 0 1 4767 12.8211405215074 0.919212088731689 0.525296956654345
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5837 M519T2968 M518.9T49.5 518.900024414062 518.900024414062 518.900024414062 49.4653957688461 49.4653957688461 49.4653957688461 1 1 0 72 5.90728982955324 -0.819064754358559 0.557024204956365
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5838 M519T3283 M518.9T54.7 518.900024414062 518.900024414062 518.900024414062 54.7181042579184 54.7181042579184 54.7181042579184 1 1 0 1248 6.48326056100373 -0.965380007432885 0.510524793613243
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5839 M519T4023 M518.9T67 518.900024414062 518.900024414062 518.900024414062 67.0484207620529 67.0484207620529 67.0484207620529 1 0 1 5583 4.49245517205878 0.758832259232414 0.577264581647749
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5840 M519T3938_1 M518.9T65.6_1 518.900024414062 518.900024414062 518.900024414062 65.6335356587046 65.6335356587046 65.6335356587046 1 0 1 4166 Inf 1 0.5
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5841 M519T3290 M519T54.8 519 519 519 54.8282134948367 54.8282134948367 54.8282134948367 1 0 1 2116 1.96111733102124 0.47966632263453 0.71003982447006
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5842 M519T3459 M519T57.7 519 519 519 57.6571398962069 57.6571398962069 57.6571398962069 1 0 1 1287 3.35229733374066 1.77084811919122 0.313212939459975
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5843 M519T3727 M519T62.1 519 519 519 62.1099996292991 62.1099996292991 62.1099996292991 1 1 0 84 4.76492788802174 -0.812202822930467 0.558305125292496
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5844 M519T3938_2 M519T65.6_2 519 519 519 65.6397232378977 65.6397232378977 65.6397232378977 1 0 1 4179 1.666244424085 0.396866736766999 0.757956517510363
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5845 M519T3631 M519T60.5 519 519 519 60.520959033894 60.520959033894 60.520959033894 1 0 1 2367 Inf 1 0.5
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5846 M519T4130 M519T68.8 519 519 519 68.8389740321595 68.8389740321595 68.8389740321595 1 0 1 [M-H+CF3COOH]- 406.025 23 Inf 1 0.5
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5847 M519T2526 M519.2T42.1 519.200012207031 519.200012207031 519.200012207031 42.0933680813334 42.0933680813334 42.0933680813334 1 0 1 5959 3.32428078010377 0.831781320536173 0.557258679933745
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5848 M519T3380 M519.2T56.3 519.200012207031 519.200012207031 519.200012207031 56.3371477405252 56.3371477405252 56.3371477405252 1 1 0 [113][M+1]- 1585 1.10331962483846 0.0915541900911348 0.9354578766579
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5849 M519T3712 M519.3T61.9 519.299987792969 519.299987792969 519.299987792969 61.8714547348474 61.8714547348474 61.8714547348474 1 1 0 1192 3.82087889317799 -1.12086665430118 0.421932999800621
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5850 M519T3768 M519.3T62.8 519.299987792969 519.299987792969 519.299987792969 62.7955019435712 62.7955019435712 62.7955019435712 1 1 0 1007 6.03677423645844 -0.823131525553199 0.555698424779754
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5851 M519T3571 M519.3T59.5 519.299987792969 519.299987792969 519.299987792969 59.5181671425825 59.5181671425825 59.5181671425825 1 1 0 1639 1.17680185833695 -0.114486727804531 0.919550011731017
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5852 M519T2951 M519.3T49.2 519.299987792969 519.299987792969 519.299987792969 49.1808199568893 49.1808199568893 49.1808199568893 1 1 0 3197 Inf -1.57273370562607 0.360551679674471
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5853 M519T2991 M519.4T49.8 519.400024414062 519.400024414062 519.400024414062 49.8462921221805 49.8462921221805 49.8462921221805 1 1 0 1844 Inf -1 0.5
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5854 M519T2566 M519.4T42.8 519.400024414062 519.400024414062 519.400024414062 42.7715180813334 42.7715180813334 42.7715180813334 1 0 1 5864 Inf 1 0.5
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5855 M519T3722 M519.4T62 519.400024414062 519.400024414062 519.400024414062 62.0371588300029 62.0371588300029 62.0371588300029 1 0 1 3453 Inf 1 0.5
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5856 M520T2731 M519.5T45.5 519.5 519.5 519.5 45.5201395257871 45.5201395257871 45.5201395257871 1 0 1 2519 Inf 1 0.5
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5857 M520T2647 M519.7T44.1 519.700012207031 519.700012207031 519.700012207031 44.1196609392592 44.1196609392592 44.1196609392592 1 1 0 5944 7.34071052106652 -0.855868442182886 0.545171625367238
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5858 M520T2870 M519.9T47.8 519.900024414062 519.900024414062 519.900024414062 47.8373313692403 47.8373313692403 47.8373313692403 1 0 1 4768 Inf 1 0.5
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5859 M520T2525 M520T42.1 520 520 520 42.0792111378167 42.0792111378167 42.0792111378167 1 0 1 [M-H]- 521.011 5042 Inf 2.27850467289704 0.263287973299424
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5860 M520T3747 M520T62.5 520 520 520 62.4512227073803 62.4512227073803 62.4512227073803 1 1 0 1074 Inf -1 0.5
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5861 M520T2887 M520T48.1 520 520 520 48.1151135412722 48.1151135412722 48.1151135412722 1 1 0 5662 2.05637038797218 -0.497350515496456 0.69817335797185
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5862 M520T3171 M520T52.8 520 520 520 52.8462923207302 52.8462923207302 52.8462923207302 1 1 0 789 1.12394788308719 -0.0823895253325039 0.941930177751355
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5863 M520T3908 M520.1T65.1 520.100036621094 520.100036621094 520.100036621094 65.1341527397587 65.1341527397587 65.1341527397587 1 0 1 4848 5.60480784345014 0.808809162671212 0.560387884893212
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5864 M520T4118 M520.1T68.6 520.100036621094 520.100036621094 520.100036621094 68.626545094649 68.626545094649 68.626545094649 1 0 1 4566 12.0050829600299 0.913538106876585 0.527062943332465
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5865 M520T3248 M520.1T54.1 520.100036621094 520.100036621094 520.100036621094 54.1318011789269 54.1318011789269 54.1318011789269 1 0 1 [M-H-C3H2]- 559.11 [M-H-C2N]- 559.11 [M-H-F2]- 559.11 34 4.60989028767764 1.25375486505977 0.393103662373973
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5866 M520T4003 M520.1T66.7 520.100036621094 520.100036621094 520.100036621094 66.7105724038087 66.7105724038087 66.7105724038087 1 0 1 5291 1.13409329441832 0.146922492454169 0.896874120595881
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5867 M520T4158 M520.1T69.3 520.100036621094 520.100036621094 520.100036621094 69.3033919207245 69.3033919207245 69.3033919207245 1 1 0 6215 12.2908314754773 -1.14824689732718 0.453098819637755
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5868 M520T3195 M520.2T53.3 520.200012207031 520.200012207031 520.200012207031 53.254203484891 53.1590615169977 53.3404618054631 4 2 2 [M-H-CH4S]- 569.208 30 1.21348742580222 -1.498847363118 0.356394147469722
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5869 M520T4124 M520.2T68.7 520.200012207031 520.200012207031 520.200012207031 68.7290731433405 68.7290731433405 68.7290731433405 1 1 0 29 1.14868080649909 0.140258048980804 0.902558212029772
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5870 M520T3264 M520.2T54.4 520.200012207031 520.200012207031 520.200012207031 54.3986458088958 54.3986458088958 54.3986458088958 1 0 1 79 1.01850027603821 -0.0441796576544541 0.970548915257698
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5871 M520T4136 M520.3T68.9 520.299987792969 520.299987792969 520.299987792969 68.9368222184917 68.891533101347 68.937955126004 3 1 2 [114][M]- [M-H]- 521.31 99 1.046114596258 0.0615949232127758 0.957965495967517
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5872 M520T4096 M520.3T68.3 520.299987792969 520.299987792969 520.299987792969 68.2647621407645 68.2647621407645 68.2647621407645 1 0 1 5108 1.12744751305554 2.66874597809728 0.15277814403088
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5873 M520T3135 M520.3T52.2 520.299987792969 520.299987792969 520.299987792969 52.2467312242011 52.2467312242011 52.2467312242011 1 1 0 5001 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5874 M520T3429 M520.4T57.2 520.400024414062 520.400024414062 520.400024414062 57.1508294743573 57.1508294743573 57.1508294743573 1 1 0 5271 Inf -1 0.5
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5875 M520T4132 M520.4T68.9 520.400024414062 520.400024414062 520.400024414062 68.85862190811 68.85862190811 68.85862190811 1 1 0 23 2.405693069138 -0.650831768176489 0.600110268050649
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5876 M520T2627 M520.4T43.8 520.400024414062 520.400024414062 520.400024414062 43.7765785673265 43.7765785673265 43.7765785673265 1 0 1 2667 5.47670903894643 0.804114065600283 0.561938004009115
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5877 M520T2947 M520.4T49.1 520.400024414062 520.400024414062 520.400024414062 49.1120182882023 49.1120182882023 49.1120182882023 1 0 1 3198 2.76892503932064 -0.600864280452221 0.638084558940447
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5878 M521T2805 M520.8T46.7 520.799987792969 520.799987792969 520.799987792969 46.7494557198856 46.7494557198856 46.7494557198856 1 1 0 5189 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5879 M521T2996 M520.8T49.9 520.799987792969 520.799987792969 520.799987792969 49.9383961767922 49.9383961767922 49.9383961767922 1 0 1 1845 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5880 M521T2531 M520.9T42.2 520.900024414062 520.900024414062 520.900024414062 42.1859714460137 42.1859714460137 42.1859714460137 1 1 0 5603 8.28275862069026 -0.872928222576989 0.539770863036799
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5881 M521T2769 M520.9T46.2 520.900024414062 520.900024414062 520.900024414062 46.1577929572959 46.1577929572959 46.1577929572959 1 1 0 3809 Inf -1.38912066297263 0.397215043461032
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5882 M521T3091 M521T51.5 521 521 521 51.519673894153 51.519673894153 51.519673894153 1 1 0 5373 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5883 M521T3237 M521.1T53.9 521.100036621094 521.100036621094 521.100036621094 53.9461696793262 53.9461696793262 53.9461696793262 1 1 0 2695 3.62279279601598 -0.990896026983703 0.494078983032296
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5884 M521T3739 M521.1T62.3 521.100036621094 521.100036621094 521.100036621094 62.3233894012569 62.3233894012569 62.3233894012569 1 0 1 4719 1.23586008361455 0.183832230971601 0.871784890037309
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5885 M521T4119 M521.1T68.7 521.100036621094 521.100036621094 521.100036621094 68.6523938666671 68.6523938666671 68.6523938666671 1 0 1 4567 1.2600661565403 0.50684859863459 0.700290479066338
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5886 M521T3972 M521.1T66.2 521.100036621094 521.100036621094 521.100036621094 66.1924745778391 66.1924745778391 66.1924745778391 1 1 0 2060 15.2746867265933 -1.9002809023052 0.308389365508928
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5887 M521T3763 M521.1T62.7 521.100036621094 521.100036621094 521.100036621094 62.7130339881799 62.7130339881799 62.7130339881799 1 0 1 935 1.53920555939235 0.406337129087846 0.72448800142614
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5888 M521T3019 M521.1T50.3 521.100036621094 521.100036621094 521.100036621094 50.3157261977645 50.3157261977645 50.3157261977645 1 1 0 2133 1.0480856257625 0.0615280886086082 0.95971667867857
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5889 M521T3815 M521.1T63.6 521.100036621094 521.100036621094 521.100036621094 63.5895475078597 63.5895475078597 63.5895475078597 1 1 0 2395 4.39201382654733 -0.75304145790182 0.579279344057503
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5890 M521T3190 M521.2T53.2 521.200012207031 521.200012207031 521.200012207031 53.1702442553167 53.1329803707082 53.2075081399252 2 1 1 40 1.8022965953431 -1.80662989840963 0.320903832221278
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5891 M521T3153 M521.3T52.6 521.299987792969 521.299987792969 521.299987792969 52.5527904469272 52.5329629561231 52.5726179377313 2 1 1 3043 1.42156694489765 -0.296977705435877 0.800145098833511
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5892 M521T4134 M521.3T68.9 521.299987792969 521.299987792969 521.299987792969 68.9010376539884 68.865253089485 68.9368222184917 2 0 2 [114][M+1]- 99 1.23213672448977 0.337838884155964 0.767769212710142
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5893 M521T3292 M521.3T54.9 521.299987792969 521.299987792969 521.299987792969 54.8699801087332 54.8699801087332 54.8699801087332 1 0 1 205 3.86981489808562 0.902054973786322 0.51003117814943
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5894 M521T3272 M521.3T54.5 521.299987792969 521.299987792969 521.299987792969 54.5322146845416 54.5322146845416 54.5322146845416 1 1 0 5023 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5895 M521T2802 M521.3T46.7 521.299987792969 521.299987792969 521.299987792969 46.6963068987933 46.6963068987933 46.6963068987933 1 1 0 [M-H]- 522.305 5176 1.06806596544098 0.0668062505120063 0.956940237028578
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5896 M521T2631 M521.3T43.9 521.299987792969 521.299987792969 521.299987792969 43.8559283691516 43.8559283691516 43.8559283691516 1 0 1 2617 1.94170849884973 0.612285146118986 0.603986229241204
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5897 M521T2537 M521.4T42.3 521.400024414062 521.400024414062 521.400024414062 42.2759514146668 42.2759514146668 42.2759514146668 1 0 1 5786 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5898 M521T3514 M521.4T58.6 521.400024414062 521.400024414062 521.400024414062 58.5589963539193 58.5589963539193 58.5589963539193 1 0 1 4531 11.3067749576615 8.71027396136831 0.0211208926587301
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5899 M521T4138 M521.4T69 521.400024414062 521.400024414062 521.400024414062 68.9640534798681 68.9640534798681 68.9640534798681 1 1 0 3994 2.57336734546471 -0.586283261493896 0.65027035428869
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5900 M522T3157 M521.9T52.6 521.900024414062 521.900024414062 521.900024414062 52.6179150517947 52.5571924127999 52.6786376907895 2 0 2 844 14.9800177747324 7.03356470300334 0.0338879162713588
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5901 M522T2935 M521.9T48.9 521.900024414062 521.900024414062 521.900024414062 48.9227891331268 48.9227891331268 48.9227891331268 1 1 0 2816 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5902 M522T2689 M522T44.8 522 522 522 44.8156498104774 44.8156498104774 44.8156498104774 1 0 1 633 Inf 2.53844825089323 0.238905962229138
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5903 M522T2525 M522T42.1 522 522 522 42.0767662432725 42.0767662432725 42.0767662432725 1 1 0 [M-H]- 523.006 5042 1.39479943303754 -0.630568127384519 0.639233673952291
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5904 M522T3320 M522.1T55.3 522.100036621094 522.100036621094 522.100036621094 55.3268954561759 55.3268954561759 55.3268954561759 1 0 1 1132 3.6049892740901 1.49523888889259 0.374387958574208
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5905 M522T3418 M522.2T57 522.200012207031 522.200012207031 522.200012207031 56.9680657639973 56.8268960641633 57.057103190847 4 2 2 [115][M]- [M+Cl+CF3COOH]- 373.237 11 1.03897572832665 -0.977670087196271 0.507052923328116
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5906 M522T3354 M522.2T55.9 522.200012207031 522.200012207031 522.200012207031 55.9060638793826 55.7955624154483 56.0288343005977 4 2 2 [116][M]- 7 1.04150181037714 -1.01066812766022 0.423686019418186
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5907 M522T3619 M522.2T60.3 522.200012207031 522.200012207031 522.200012207031 60.3112498325815 60.2437135525526 60.3787861126104 2 0 2 [M+Cl]- 487.237 51 1.16779307590209 -0.431674081115129 0.726917069244058
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5908 M522T4378 M522.2T73 522.200012207031 522.200012207031 522.200012207031 72.9623624072004 72.9623624072004 72.9623624072004 1 0 1 6218 3.77409896583104 2.06272227396735 0.176653602776307
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5909 M522T4391 M522.2T73.2 522.200012207031 522.200012207031 522.200012207031 73.1899400264927 73.1899400264927 73.1899400264927 1 1 0 6229 Inf -4.25971600019909 0.146793109453872
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5910 M522T4306 M522.2T71.8 522.200012207031 522.200012207031 522.200012207031 71.7625624072004 71.7625624072004 71.7625624072004 1 0 1 321 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5911 M522T4210 M522.2T70.2 522.200012207031 522.200012207031 522.200012207031 70.168531901892 70.168531901892 70.168531901892 1 1 0 4941 1.80686665017494 -0.390709621511876 0.742741966657691
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5912 M522T4138 M522.2T69 522.200012207031 522.200012207031 522.200012207031 68.9626554841847 68.9626554841847 68.9626554841847 1 0 1 [M+Cl]- 487.23 99 4.02538059121708 0.815713697493176 0.548936543302809
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5913 M522T3170 M522.3T52.8 522.299987792969 522.299987792969 522.299987792969 52.8376230496383 52.8376230496383 52.8376230496383 1 0 1 8 1.1679850765405 0.125996297517859 0.911418144560217
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5914 M522T3027 M522.3T50.5 522.299987792969 522.299987792969 522.299987792969 50.4541558634034 50.4541558634034 50.4541558634034 1 0 1 2127 1.50774269314432 0.336732478775157 0.793209096591286
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5915 M522T4344 M522.4T72.4 522.400024414062 522.400024414062 522.400024414062 72.4074733598261 72.4074733598261 72.4074733598261 1 1 0 6109 3.00770999863237 -0.86146595707585 0.509169484216518
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5916 M522T4294 M522.4T71.6 522.400024414062 522.400024414062 522.400024414062 71.5728233598261 71.5728233598261 71.5728233598261 1 1 0 6145 6.52242217103837 -0.836903650513018 0.551240112258177
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5917 M523T4454 M522.6T74.2 522.600036621094 522.600036621094 522.600036621094 74.2403957405337 74.2403957405337 74.2403957405337 1 0 1 6195 Inf 1 0.5
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5918 M523T2824 M522.6T47.1 522.600036621094 522.600036621094 522.600036621094 47.0695455415363 47.0695455415363 47.0695455415363 1 1 0 3306 2.06721642651762 -0.464737602060288 0.702530028356487
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5919 M523T4412 M522.6T73.5 522.600036621094 522.600036621094 522.600036621094 73.5290233598261 73.5290233598261 73.5290233598261 1 1 0 6122 Inf -3.54266684576195 0.175143915118376
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5920 M523T2877 M522.9T48 522.900024414062 522.900024414062 522.900024414062 47.9546495625199 47.9546495625199 47.9546495625199 1 0 1 4743 Inf 1 0.5
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5921 M523T3068 M523T51.1 523 523 523 51.1345603230162 51.1345603230162 51.1345603230162 1 0 1 2438 Inf 1 0.5
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5922 M523T4037 M523T67.3 523 523 523 67.2818438258993 67.2818438258993 67.2818438258993 1 0 1 3778 Inf 1 0.5
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5923 M523T3023 M523.1T50.4 523.100036621094 523.100036621094 523.100036621094 50.3755213268837 50.3755213268837 50.3755213268837 1 0 1 39 4.73213774925911 0.895563498657728 0.533646057249237
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5924 M523T3996 M523.1T66.6 523.100036621094 523.100036621094 523.100036621094 66.6064190788262 66.6064190788262 66.6064190788262 1 0 1 5444 Inf 1 0.5
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5925 M523T3863 M523.1T64.4 523.100036621094 523.100036621094 523.100036621094 64.3845628633249 64.3845628633249 64.3845628633249 1 0 1 1411 5.12684549463345 0.938580886790891 0.507499330314801
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5926 M523T3416 M523.2T56.9 523.200012207031 523.200012207031 523.200012207031 56.9415817015115 56.8268960641633 57.057103190847 4 2 2 [115][M+1]- 11 1.03260445520061 -0.791909624566066 0.552256423357123
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5927 M523T3354 M523.2T55.9 523.200012207031 523.200012207031 523.200012207031 55.9060638793826 55.7955624154483 56.0288343005977 4 2 2 [116][M+1]- 7 1.03402092579724 -1.46326103444453 0.305101342217943
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5928 M523T4225 M523.2T70.4 523.200012207031 523.200012207031 523.200012207031 70.4171804896116 70.4171804896116 70.4171804896116 1 0 1 5429 2.7069895750182 1.02106261434928 0.421950325977428
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5929 M523T3312 M523.3T55.2 523.299987792969 523.299987792969 523.299987792969 55.1955103528699 55.1955103528699 55.1955103528699 1 0 1 503 3.01205069221479 -0.730286175187414 0.583079555851333
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5930 M523T3274 M523.3T54.6 523.299987792969 523.299987792969 523.299987792969 54.565562819362 54.565562819362 54.565562819362 1 0 1 [M-H]- 524.311 145 1.87737389113197 0.854583000331943 0.541051500454767
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5931 M523T3706 M523.3T61.8 523.299987792969 523.299987792969 523.299987792969 61.7655456241751 61.7655456241751 61.7655456241751 1 0 1 1193 1.38840230950628 0.226997676524759 0.843367031716
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5932 M523T3723 M523.3T62.1 523.299987792969 523.299987792969 523.299987792969 62.0514059930956 62.0514059930956 62.0514059930956 1 1 0 3454 1.95769083098124 -0.492185192940252 0.680569352062872
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5933 M523T3542 M523.3T59 523.299987792969 523.299987792969 523.299987792969 59.041466821452 59.041466821452 59.041466821452 1 1 0 2322 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5934 M523T4142 M523.3T69 523.299987792969 523.299987792969 523.299987792969 69.0401974996345 69.0401974996345 69.0401974996345 1 0 1 110 1.07885487263982 0.201471933919573 0.86554319339519
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5935 M523T4052 M523.3T67.5 523.299987792969 523.299987792969 523.299987792969 67.5256015533766 67.5256015533766 67.5256015533766 1 0 1 [M-H]- 524.306 77 1.65818930706681 0.382654850011621 0.748709039504447
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5936 M523T4036 M523.4T67.3 523.400024414062 523.400024414062 523.400024414062 67.2641413363339 67.2391099437031 67.2891727289647 2 1 1 3779 4.28020363669117 0.956117638533925 0.493525792565002
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5937 M523T3266 M523.4T54.4 523.400024414062 523.400024414062 523.400024414062 54.4256937512455 54.4256937512455 54.4256937512455 1 1 0 3607 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5938 M524T4164 M523.5T69.4 523.5 523.5 523.5 69.407772451816 69.407772451816 69.407772451816 1 1 0 6159 4.04428307266142 -1.14715837291279 0.417714170916709
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5939 M524T2642 M523.5T44 523.5 523.5 523.5 44.0410062922056 44.0410062922056 44.0410062922056 1 0 1 5674 Inf 1 0.5
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lecorguille
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5940 M524T2608 M523.7T43.5 523.700012207031 523.700012207031 523.700012207031 43.4591495766058 43.4591495766058 43.4591495766058 1 1 0 4018 Inf -1.59705440395853 0.356142815631507
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5941 M524T3993 M524T66.5 524 524 524 66.5423475209995 66.5423475209995 66.5423475209995 1 1 0 [M-H]- 525.005 118 Inf -1 0.5
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lecorguille
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5942 M524T3383 M524T56.4 524 524 524 56.3884600288996 56.3884600288996 56.3884600288996 1 1 0 1586 5.78458994298292 -0.815037808430398 0.558341437796792
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5943 M524T2985 M524T49.8 524 524 524 49.757089996754 49.757089996754 49.757089996754 1 0 1 4634 Inf 1 0.5
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lecorguille
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5944 M524T3078 M524.1T51.3 524.100036621094 524.100036621094 524.100036621094 51.2925574420761 51.2925574420761 51.2925574420761 1 1 0 83 1.52860497948411 1.39249495107837 0.349915443989586
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5945 M524T3464 M524.1T57.7 524.100036621094 524.100036621094 524.100036621094 57.7254727150423 57.7254727150423 57.7254727150423 1 1 0 1288 4.31606559731259 -0.748480373982257 0.580875846217611
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5946 M524T3391 M524.1T56.5 524.100036621094 524.100036621094 524.100036621094 56.5168534750467 56.5168534750467 56.5168534750467 1 1 0 463 1.32322407512861 0.262254412003542 0.819815849335425
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5947 M524T4207 M524.1T70.1 524.100036621094 524.100036621094 524.100036621094 70.1121127676577 70.1121127676577 70.1121127676577 1 1 0 4942 2.23499958920343 -0.659227415067615 0.588160204175955
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5948 M524T4181 M524.1T69.7 524.100036621094 524.100036621094 524.100036621094 69.685485159254 69.685485159254 69.685485159254 1 0 1 248 1.22947689187643 0.144797999201861 0.89862998457235
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5949 M524T3844 M524.1T64.1 524.100036621094 524.100036621094 524.100036621094 64.0604363874163 64.0604363874163 64.0604363874163 1 1 0 1412 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5950 M524T3666 M524.2T61.1 524.200012207031 524.200012207031 524.200012207031 61.0999419041129 61.087810612743 61.1120731954829 2 1 1 [117][M]- [M+Cl]- 489.235 2 1.31892986375035 -0.818898346669291 0.55256698226563
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5951 M524T3688 M524.2T61.5 524.200012207031 524.200012207031 524.200012207031 61.4739227041291 61.4333791004629 61.5144663077954 2 1 1 [118][M]- 5 1.20353984466621 -1.06150482509156 0.409434812399606
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5952 M524T4116 M524.2T68.6 524.200012207031 524.200012207031 524.200012207031 68.5961683990104 68.5961683990104 68.5961683990104 1 1 0 43 2.06138999547837 -1.11240869912859 0.43189786207015
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5953 M524T3091 M524.2T51.5 524.200012207031 524.200012207031 524.200012207031 51.5190323101435 51.5190323101435 51.5190323101435 1 0 1 5356 1.30300257858313 0.227813565257215 0.855139812841154
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5954 M524T3603 M524.2T60 524.200012207031 524.200012207031 524.200012207031 60.0481510580608 60.0481510580608 60.0481510580608 1 1 0 [119][M]- [M-H]- 525.207 22 1.38910201743739 -2.30214834257888 0.183720766387128
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5955 M524T3632 M524.3T60.5 524.299987792969 524.299987792969 524.299987792969 60.5274677073243 60.4455469845131 60.6093884301356 2 1 1 2368 3.06304252140532 -0.673512118028134 0.622650223419751
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5956 M524T3305 M524.3T55.1 524.299987792969 524.299987792969 524.299987792969 55.0905346958003 55.0905346958003 55.0905346958003 1 0 1 552 1.88839717855511 0.415754663216542 0.72873626240146
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5957 M524T3850 M524.3T64.2 524.299987792969 524.299987792969 524.299987792969 64.1617841826784 64.1617841826784 64.1617841826784 1 0 1 1413 2.31939939243217 0.522371042752153 0.673748069987756
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5958 M524T2522 M524.3T42 524.299987792969 524.299987792969 524.299987792969 42.0270444711501 42.0270444711501 42.0270444711501 1 0 1 5055 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5959 M524T3060 M524.3T51 524.299987792969 524.299987792969 524.299987792969 50.9945984359659 50.9945984359659 50.9945984359659 1 1 0 5910 2.84660879160651 -0.612037870327051 0.633327253557687
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5960 M524T2927 M524.3T48.8 524.299987792969 524.299987792969 524.299987792969 48.7797731624799 48.7797731624799 48.7797731624799 1 1 0 [M-2H+Na]- 503.312 60 1.66323207045351 -0.397727177359979 0.751901227953369
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5961 M524T3459 M524.3T57.7 524.299987792969 524.299987792969 524.299987792969 57.654467057015 57.654467057015 57.654467057015 1 0 1 1289 7.14208124326827 0.851677061041305 0.546506433729318
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5962 M524T2626 M524.4T43.8 524.400024414062 524.400024414062 524.400024414062 43.7638594834426 43.7638594834426 43.7638594834426 1 0 1 2623 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5963 M524T2763 M524.4T46.1 524.400024414062 524.400024414062 524.400024414062 46.0528375938208 46.0528375938208 46.0528375938208 1 1 0 3810 2.43046422386213 -0.544286242731651 0.663386452726681
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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5964 M524T4157 M524.5T69.3 524.5 524.5 524.5 69.2772943867717 69.2772943867717 69.2772943867717 1 1 0 6147 Inf -1.93281891305516 0.303956646329664
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5965 M525T2662 M524.9T44.4 524.900024414062 524.900024414062 524.900024414062 44.367864492896 44.367864492896 44.367864492896 1 1 0 2271 1.89260669465664 -0.731536909595784 0.589787564914009
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5966 M525T3878 M524.9T64.6 524.900024414062 524.900024414062 524.900024414062 64.6384283091249 64.6384283091249 64.6384283091249 1 1 0 2750 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5967 M525T2778 M524.9T46.3 524.900024414062 524.900024414062 524.900024414062 46.2937117304691 46.2937117304691 46.2937117304691 1 0 1 [M-H-C3H3]- 564.928 [M-H-HC2N]- 564.928 4269 1.74365227313804 0.369966033561014 0.754643811943925
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5968 M525T2880 M525T48 525 525 525 47.9992048810756 47.9992048810756 47.9992048810756 1 1 0 4744 1.88073509003148 -0.41347860089183 0.729992365107962
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5969 M525T2637 M525T43.9 525 525 525 43.9485506532251 43.9485506532251 43.9485506532251 1 0 1 2634 2.63952367695686 0.710999286465772 0.574426452518504
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5970 M525T4176 M525T69.6 525 525 525 69.6015286663711 69.6015286663711 69.6015286663711 1 0 1 4414 1.70190955064495 0.388892965361045 0.753358561069256
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5971 M525T3475 M525T57.9 525 525 525 57.9101538329849 57.9101538329849 57.9101538329849 1 1 0 1807 1.63039265602227 -0.329593468597413 0.778561597818508
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5972 M525T3397 M525T56.6 525 525 525 56.6246929164813 56.6246929164813 56.6246929164813 1 1 0 496 1.62673077921522 -0.328214393263392 0.779395592330897
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5973 M525T4015 M525T66.9 525 525 525 66.9185960969726 66.9185960969726 66.9185960969726 1 0 1 6092 1.17269435835309 0.144775363621463 0.907284170456054
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5974 M525T3461 M525.1T57.7 525.100036621094 525.100036621094 525.100036621094 57.6778499237897 57.6778499237897 57.6778499237897 1 1 0 1290 1.25104645209139 0.20236520559205 0.859818690652786
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5975 M525T3253 M525.1T54.2 525.100036621094 525.100036621094 525.100036621094 54.2117452227745 54.2117452227745 54.2117452227745 1 0 1 34 1.22979796740306 0.224343920269072 0.843518099737884
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5976 M525T3155 M525.1T52.6 525.100036621094 525.100036621094 525.100036621094 52.5905198257905 52.5905198257905 52.5905198257905 1 1 0 845 1.02711973989463 -0.0363355641992916 0.974603568398907
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5977 M525T3942 M525.1T65.7 525.100036621094 525.100036621094 525.100036621094 65.6919835399717 65.6919835399717 65.6919835399717 1 0 1 4167 1.85161298141764 0.804863253436619 0.54696943482143
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5978 M525T3666 M525.2T61.1 525.200012207031 525.200012207031 525.200012207031 61.0999419041129 61.087810612743 61.1120731954829 2 1 1 [117][M+1]- 2 1.29550111331836 -0.780236395171442 0.565915514716319
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5979 M525T3688 M525.2T61.5 525.200012207031 525.200012207031 525.200012207031 61.4739227041291 61.4333791004629 61.5144663077954 2 1 1 [118][M+1]- 5 1.18999908723454 -0.97857332820602 0.443517043501156
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5980 M525T2900 M525.2T48.3 525.200012207031 525.200012207031 525.200012207031 48.3315223028897 48.3315223028897 48.3315223028897 1 0 1 4780 4.24960575875366 0.744352963648985 0.582327994697889
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5981 M525T3618 M525.2T60.3 525.200012207031 525.200012207031 525.200012207031 60.297739820102 60.297739820102 60.297739820102 1 0 1 51 1.06756278179615 -0.105613908607277 0.92673093919908
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5982 M525T3603 M525.2T60 525.200012207031 525.200012207031 525.200012207031 60.0481510580608 60.0481510580608 60.0481510580608 1 1 0 [119][M+1]- 22 1.15147440880054 -0.471666571884265 0.711259653454054
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5983 M525T4099 M525.2T68.3 525.200012207031 525.200012207031 525.200012207031 68.3164433438469 68.3164433438469 68.3164433438469 1 0 1 5115 1.12467538652159 -0.603442816163228 0.653919829246571
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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5984 M525T2962 M525.2T49.4 525.200012207031 525.200012207031 525.200012207031 49.3691526535165 49.3691526535165 49.3691526535165 1 0 1 3231 Inf 1 0.5
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5985 M525T3481 M525.3T58 525.299987792969 525.299987792969 525.299987792969 58.0135635415829 58.0135635415829 58.0135635415829 1 1 0 1808 Inf -1 0.5
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5987 M525T3632 M525.3T60.5 525.299987792969 525.299987792969 525.299987792969 60.5329059947465 60.5329059947465 60.5329059947465 1 1 0 2369 Inf -1 0.5
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5988 M525T2954 M525.3T49.2 525.299987792969 525.299987792969 525.299987792969 49.2325766346981 49.2325766346981 49.2325766346981 1 1 0 3199 2.41411807992171 -0.541177829700398 0.664836761798548
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5989 M525T4030 M525.4T67.2 525.400024414062 525.400024414062 525.400024414062 67.1606313310036 67.1606313310036 67.1606313310036 1 1 0 3780 1.41328951322054 0.238716785640289 0.835703691738099
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5990 M525T4127 M525.4T68.8 525.400024414062 525.400024414062 525.400024414062 68.7816594215337 68.7816594215337 68.7816594215337 1 0 1 1507 4.07374308792144 0.732770886132495 0.586441811084877
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5991 M525T2839 M525.4T47.3 525.400024414062 525.400024414062 525.400024414062 47.3091038574282 47.3091038574282 47.3091038574282 1 1 0 4645 Inf -1 0.5
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5992 M525T3923 M525.4T65.4 525.400024414062 525.400024414062 525.400024414062 65.3784490660821 65.3784490660821 65.3784490660821 1 0 1 2970 5.64610829967884 0.930707568439804 0.513028887252395
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5993 M525T3323 M525.4T55.4 525.400024414062 525.400024414062 525.400024414062 55.3768208593213 55.3768208593213 55.3768208593213 1 1 0 1150 Inf -1 0.5
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5994 M526T4198 M525.5T70 525.5 525.5 525.5 69.9699105978118 69.9699105978118 69.9699105978118 1 0 1 6085 Inf 1 0.5
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5995 M526T4219 M525.9T70.3 525.900024414062 525.900024414062 525.900024414062 70.3119507947104 70.3119507947104 70.3119507947104 1 0 1 5334 Inf 4.46693696781627 0.140206479260682
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5996 M526T4045 M526T67.4 526 526 526 67.4113832176194 67.4113832176194 67.4113832176194 1 0 1 4123 Inf 1 0.5
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5997 M526T3173 M526.1T52.9 526.100036621094 526.100036621094 526.100036621094 52.8802184024263 52.7940229687452 52.9224338408828 4 2 2 [120][M]- 8 1.17261383713443 4.6274981016393 0.1019044683383
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5998 M526T4289 M526.1T71.5 526.100036621094 526.100036621094 526.100036621094 71.4867858483176 71.4867858483176 71.4867858483176 1 0 1 6183 Inf 1.10757962117198 0.467532460123824
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5999 M526T3715 M526.1T61.9 526.100036621094 526.100036621094 526.100036621094 61.9224618921501 61.9224618921501 61.9224618921501 1 0 1 1194 Inf 1 0.5
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6000 M526T3690 M526.2T61.5 526.200012207031 526.200012207031 526.200012207031 61.5000054337289 61.4855445596624 61.5144663077954 2 1 1 [118][M+2]- 5 1.24331518073967 -1.33114053429831 0.392281989164946
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6001 M526T3666 M526.2T61.1 526.200012207031 526.200012207031 526.200012207031 61.0999419041129 61.087810612743 61.1120731954829 2 1 1 [117][M+2]- 2 1.24947601471175 -0.811698210396472 0.563865306209625
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6002 M526T3245 M526.2T54.1 526.200012207031 526.200012207031 526.200012207031 54.0788937781829 54.0788937781829 54.0788937781829 1 1 0 3469 1.69627570539103 -0.877244891573764 0.499815121154285
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6003 M526T4041 M526.2T67.3 526.200012207031 526.200012207031 526.200012207031 67.3437411117551 67.3437411117551 67.3437411117551 1 1 0 162 3.89020315032413 -2.13601054010805 0.220649146408256
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6004 M526T3913 M526.3T65.2 526.299987792969 526.299987792969 526.299987792969 65.2216948348315 65.2216948348315 65.2216948348315 1 0 1 5134 2.47467695092707 0.810729580626331 0.539241754211833
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6005 M526T4044 M526.3T67.4 526.299987792969 526.299987792969 526.299987792969 67.3942464348878 67.3942464348878 67.3942464348878 1 0 1 [M-H-H2]- 529.311 106 25.5685631440905 0.960605053343352 0.512638585329244
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6006 M526T3836 M526.3T63.9 526.299987792969 526.299987792969 526.299987792969 63.9252990982341 63.9252990982341 63.9252990982341 1 0 1 3342 5.92025102153721 0.819480091949837 0.556888599670825
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6007 M526T2914 M526.5T48.6 526.5 526.5 526.5 48.5679884388234 48.5679884388234 48.5679884388234 1 0 1 2777 Inf 1 0.5
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6008 M527T2601 M526.9T43.4 526.900024414062 526.900024414062 526.900024414062 43.3572611378167 43.3572611378167 43.3572611378167 1 0 1 2903 4.9321911045972 0.781352399467248 0.569552078634995
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6009 M527T2926 M526.9T48.8 526.900024414062 526.900024414062 526.900024414062 48.7688515549408 48.7688515549408 48.7688515549408 1 1 0 [M+Cl+HCOOH]- 445.911 60 2.4551061549733 -0.697260333528654 0.575404288271703
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6010 M527T3512 M527T58.5 527 527 527 58.5320958308761 58.5071429576591 58.5570487040932 2 1 1 4532 3.91095487052079 -0.771500736230411 0.580673392452273
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6011 M527T3809 M527T63.5 527 527 527 63.4848268233574 63.4848268233574 63.4848268233574 1 1 0 3716 Inf -1 0.5
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6012 M527T3796 M527T63.3 527 527 527 63.2665560149177 63.2665560149177 63.2665560149177 1 0 1 4620 Inf 1 0.5
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6013 M527T2936 M527T48.9 527 527 527 48.9352719854572 48.9352719854572 48.9352719854572 1 1 0 2799 4.76211109415805 -0.841519828210242 0.55309684484774
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6014 M527T2539 M527T42.3 527 527 527 42.3139444711501 42.3139444711501 42.3139444711501 1 0 1 5551 5.47731527453005 6.64416063650779 0.0219275333333862
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6015 M527T4183 M527T69.7 527 527 527 69.7112637855637 69.7112637855637 69.7112637855637 1 0 1 248 4.93731953148848 1.11597662170411 0.447919433737482
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6016 M527T3172 M527.1T52.9 527.100036621094 527.100036621094 527.100036621094 52.8702129335521 52.8201062340874 52.9170895003567 4 2 2 [120][M+1]- 8 1.27218612941726 2.67511158998191 0.202070837167879
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6017 M527T4286 M527.1T71.4 527.100036621094 527.100036621094 527.100036621094 71.4346191816509 71.4346191816509 71.4346191816509 1 0 1 6095 Inf 1 0.5
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6018 M527T3200 M527.2T53.3 527.200012207031 527.200012207031 527.200012207031 53.3404618054631 53.3404618054631 53.3404618054631 1 0 1 1745 2.74641813519811 0.597513598267789 0.639526213677676
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6019 M527T3520 M527.3T58.7 527.299987792969 527.299987792969 527.299987792969 58.6696259785606 58.6629662863166 58.6762856708046 2 0 2 425 Inf 3.30919964372029 0.186824224948334
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6020 M527T3309 M527.3T55.1 527.299987792969 527.299987792969 527.299987792969 55.1430121663691 55.1430121663691 55.1430121663691 1 0 1 553 1.14338853896848 -0.0943971519380819 0.93353424827687
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6021 M527T3731 M527.3T62.2 527.299987792969 527.299987792969 527.299987792969 62.1884253528936 62.1884253528936 62.1884253528936 1 1 0 [M-2H+Na]- 506.312 84 2.49710403374352 -0.62192494437553 0.62681873123751
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6022 M527T4042 M527.3T67.4 527.299987792969 527.299987792969 527.299987792969 67.3679743295609 67.3679743295609 67.3679743295609 1 0 1 162 22.0312489148669 0.953628072015259 0.51458568164172
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6023 M527T2967 M527.3T49.5 527.299987792969 527.299987792969 527.299987792969 49.4524999550582 49.4524999550582 49.4524999550582 1 0 1 3231 4.41410492157273 0.75433813529237 0.578827025265844
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6024 M527T4177 M527.3T69.6 527.299987792969 527.299987792969 527.299987792969 69.6189121737951 69.6189121737951 69.6189121737951 1 1 0 115 Inf -1.52112561339848 0.370235950070369
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6025 M527T3720 M527.4T62 527.400024414062 527.400024414062 527.400024414062 62.0057601073697 62.0057601073697 62.0057601073697 1 1 0 3434 10.3343922914191 -0.994676860551092 0.498719747331932
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6026 M527T3041 M527.4T50.7 527.400024414062 527.400024414062 527.400024414062 50.6769502937014 50.6769502937014 50.6769502937014 1 1 0 3228 Inf -1 0.5
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6027 M527T2743 M527.4T45.7 527.400024414062 527.400024414062 527.400024414062 45.7235690783374 45.7235690783374 45.7235690783374 1 1 0 4605 Inf -1 0.5
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6028 M528T3850 M527.5T64.2 527.5 527.5 527.5 64.1652973195444 64.1652973195444 64.1652973195444 1 1 0 1414 Inf -1 0.5
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6029 M528T2644 M527.8T44.1 527.799987792969 527.799987792969 527.799987792969 44.0744270027957 44.0744270027957 44.0744270027957 1 1 0 5655 Inf -1 0.5
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6030 M528T3532 M527.9T58.9 527.900024414062 527.900024414062 527.900024414062 58.8733962348933 58.8733962348933 58.8733962348933 1 1 0 1973 Inf -1 0.5
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6031 M528T3714 M527.9T61.9 527.900024414062 527.900024414062 527.900024414062 61.8971068061294 61.8971068061294 61.8971068061294 1 1 0 1195 1.47480270743887 0.266463899565549 0.817810587552835
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6032 M528T4001 M527.9T66.7 527.900024414062 527.900024414062 527.900024414062 66.6845433554533 66.6845433554533 66.6845433554533 1 0 1 6056 Inf 1 0.5
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6033 M528T4027 M528T67.1 528 528 528 67.1170648944711 67.0559865851753 67.1781432037668 2 1 1 5952 1.93889212576684 -0.808459558143041 0.520232355560524
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6034 M528T3845 M528T64.1 528 528 528 64.0786131787182 64.0786131787182 64.0786131787182 1 1 0 [M-H]- 529.007 21 Inf -1.97582733875421 0.298275019033511
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6035 M528T3995 M528T66.6 528 528 528 66.5850210982602 66.5850210982602 66.5850210982602 1 1 0 172 Inf -1 0.5
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6036 M528T3816 M528T63.6 528 528 528 63.5970006162998 63.5970006162998 63.5970006162998 1 1 0 2372 24.6303340529809 -1.09330344117803 0.471034810190875
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6037 M528T3233 M528.1T53.9 528.100036621094 528.100036621094 528.100036621094 53.8852231027728 53.8140124097228 53.9094650121411 3 2 1 [121][M]- 54 1.1290712054945 0.355927257392099 0.780851691472808
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6038 M528T3961 M528.1T66 528.100036621094 528.100036621094 528.100036621094 66.0092618412701 66.0092618412701 66.0092618412701 1 1 0 307 4.38026125350067 -0.752346188240017 0.579522155876828
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6039 M528T3386 M528.1T56.4 528.100036621094 528.100036621094 528.100036621094 56.4397902940844 56.4397902940844 56.4397902940844 1 1 0 25 1.29151161148622 -0.59588952671392 0.613182100589257
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6040 M528T3697 M528.2T61.6 528.200012207031 528.200012207031 528.200012207031 61.6160695906516 61.6160695906516 61.6160695906516 1 1 0 5486 1.92423866912297 -0.978666464318948 0.485941500120476
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6041 M528T3289 M528.2T54.8 528.200012207031 528.200012207031 528.200012207031 54.8184125352391 54.8184125352391 54.8184125352391 1 0 1 [M-H-CH4]- 545.233 [M-H-C2N2]- 581.209 38 1.76788401510316 0.509669230441323 0.687133124552308
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6042 M528T3165 M528.2T52.7 528.200012207031 528.200012207031 528.200012207031 52.7443712332593 52.7443712332593 52.7443712332593 1 1 0 846 1.62210641482329 -0.542586998142678 0.641983888357931
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6043 M528T3232 M528.2T53.9 528.200012207031 528.200012207031 528.200012207031 53.8681541303073 53.8681541303073 53.8681541303073 1 0 1 2723 2.39966991574923 0.825309103125349 0.553299045397591
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6044 M528T3050 M528.3T50.8 528.299987792969 528.299987792969 528.299987792969 50.8376567378512 50.8376567378512 50.8376567378512 1 1 0 3497 4.29683568097094 -3.05692200548684 0.150630045696466
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6045 M528T3032 M528.3T50.5 528.299987792969 528.299987792969 528.299987792969 50.5326675803136 50.5326675803136 50.5326675803136 1 0 1 2128 14.7233655997103 1.47836688356343 0.374625106351101
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6046 M528T4044 M528.3T67.4 528.299987792969 528.299987792969 528.299987792969 67.3942464348878 67.3942464348878 67.3942464348878 1 0 1 [M-H]- 529.311 106 4.37036126052987 0.830447555900356 0.554551783485015
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6047 M528T4220 M528.3T70.3 528.299987792969 528.299987792969 528.299987792969 70.3297904661244 70.3297904661244 70.3297904661244 1 0 1 164 2.71064708511774 0.62409708113561 0.641128811294968
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6048 M528T2853 M528.4T47.5 528.400024414062 528.400024414062 528.400024414062 47.546201958519 47.546201958519 47.546201958519 1 1 0 4266 Inf -1.58543713437698 0.358236727119166
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6049 M528T3881 M528.4T64.7 528.400024414062 528.400024414062 528.400024414062 64.6911140182902 64.6911140182902 64.6911140182902 1 1 0 2257 Inf -3.41292715754646 0.181453059223158
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6050 M528T3790 M528.4T63.2 528.400024414062 528.400024414062 528.400024414062 63.1609050395012 63.1609050395012 63.1609050395012 1 0 1 4460 5.00888458642554 0.78486590383682 0.56836547331917
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6051 M528T4036 M528.4T67.3 528.400024414062 528.400024414062 528.400024414062 67.2652684988748 67.2652684988748 67.2652684988748 1 1 0 3781 11.6050628335465 -0.910456825943739 0.528022509232967
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6052 M528T3969 M528.5T66.1 528.5 528.5 528.5 66.1451987706191 66.1451987706191 66.1451987706191 1 1 0 2061 Inf -1 0.5
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6053 M528T3914 M528.5T65.2 528.5 528.5 528.5 65.2293272940666 65.2293272940666 65.2293272940666 1 1 0 152 Inf -1.21677652436531 0.437942851189103
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6054 M528T2567 M528.5T42.8 528.5 528.5 528.5 42.7834444711501 42.7834444711501 42.7834444711501 1 0 1 5865 Inf 1 0.5
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6055 M529T3812 M528.6T63.5 528.600036621094 528.600036621094 528.600036621094 63.5371921982908 63.5371921982908 63.5371921982908 1 1 0 2396 Inf -1 0.5
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6056 M529T2800 M528.8T46.7 528.799987792969 528.799987792969 528.799987792969 46.6673199901314 46.6673199901314 46.6673199901314 1 0 1 3948 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6057 M529T2861 M528.9T47.7 528.900024414062 528.900024414062 528.900024414062 47.6800257773271 47.6800257773271 47.6800257773271 1 0 1 3654 2.08712828252527 0.618269129241183 0.634194911129288
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6058 M529T3520 M528.9T58.7 528.900024414062 528.900024414062 528.900024414062 58.673055717006 58.673055717006 58.673055717006 1 1 0 426 Inf -1 0.5
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6059 M529T2753 M528.9T45.9 528.900024414062 528.900024414062 528.900024414062 45.8792931886908 45.8792931886908 45.8792931886908 1 1 0 4361 Inf -5.11551499899041 0.122898972090757
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6060 M529T2965 M528.9T49.4 528.900024414062 528.900024414062 528.900024414062 49.41366612654 49.41366612654 49.41366612654 1 1 0 3237 Inf -1 0.5
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6061 M529T4111 M528.9T68.5 528.900024414062 528.900024414062 528.900024414062 68.5201145759188 68.5201145759188 68.5201145759188 1 1 0 2313 Inf -1 0.5
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6062 M529T3397 M528.9T56.6 528.900024414062 528.900024414062 528.900024414062 56.6197962236287 56.6197962236287 56.6197962236287 1 1 0 3 1.045751525926 -0.0316197998927811 0.977652093766946
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6063 M529T3923 M528.9T65.4 528.900024414062 528.900024414062 528.900024414062 65.3775611335403 65.3775611335403 65.3775611335403 1 1 0 3015 Inf -1 0.5
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6064 M529T2935 M528.9T48.9 528.900024414062 528.900024414062 528.900024414062 48.9089703004758 48.9089703004758 48.9089703004758 1 0 1 2817 Inf 1 0.5
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6065 M529T2521 M529T42 529 529 529 42.0245995766058 42.0245995766058 42.0245995766058 1 1 0 5056 2.30124011491737 -0.826451505334901 0.552464696583284
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6066 M529T3408 M529T56.8 529 529 529 56.798835200874 56.798835200874 56.798835200874 1 0 1 2559 1.17408835535279 0.184874137232613 0.883616753305865
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6067 M529T3238 M529.1T54 529.100036621094 529.100036621094 529.100036621094 53.9609295625356 53.859103151994 54.1052465611015 3 1 2 [121][M+1]- 2698 1.45707194146612 -1.33500364157076 0.396691809365018
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6068 M529T2953 M529.1T49.2 529.100036621094 529.100036621094 529.100036621094 49.2161434872003 49.2161434872003 49.2161434872003 1 0 1 3174 1.97624400595071 0.487870729526848 0.70789194529586
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6069 M529T2838 M529.1T47.3 529.100036621094 529.100036621094 529.100036621094 47.2971388839626 47.2971388839626 47.2971388839626 1 1 0 4641 15.5203142499805 -1.96957155679422 0.292049879611614
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6070 M529T4190 M529.1T69.8 529.100036621094 529.100036621094 529.100036621094 69.8383408859445 69.8383408859445 69.8383408859445 1 0 1 6081 Inf 1 0.5
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6071 M529T3283 M529.1T54.7 529.100036621094 529.100036621094 529.100036621094 54.7140030166286 54.7140030166286 54.7140030166286 1 0 1 1219 1.02039875710423 -0.0291180698928895 0.980372774903359
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6072 M529T4221 M529.2T70.4 529.200012207031 529.200012207031 529.200012207031 70.3555724833019 70.3555724833019 70.3555724833019 1 0 1 5988 Inf 1 0.5
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6073 M529T2919 M529.2T48.7 529.200012207031 529.200012207031 529.200012207031 48.650806428958 48.650806428958 48.650806428958 1 1 0 [M-H-CO]- 558.21 56 Inf -1.35967926479336 0.403703064836406
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6074 M529T3731 M529.2T62.2 529.200012207031 529.200012207031 529.200012207031 62.1804575745192 62.1804575745192 62.1804575745192 1 1 0 3578 1.01000437735844 0.00703886571330311 0.995022888049943
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6075 M529T3007 M529.2T50.1 529.200012207031 529.200012207031 529.200012207031 50.1123585753981 50.1123585753981 50.1123585753981 1 0 1 [M-H-H2O]- 548.21 105 2.60044982884464 0.692315475243991 0.612466629133309
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6076 M529T4181 M529.2T69.7 529.200012207031 529.200012207031 529.200012207031 69.685485159254 69.685485159254 69.685485159254 1 0 1 248 4.96675885768967 2.23021818266098 0.172390535575476
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6077 M529T3152 M529.3T52.5 529.299987792969 529.299987792969 529.299987792969 52.531098603379 52.531098603379 52.531098603379 1 0 1 3058 2.75887233410454 0.66523176286846 0.623973339867549
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6078 M529T3622 M529.3T60.4 529.299987792969 529.299987792969 529.299987792969 60.3625377209829 60.3625377209829 60.3625377209829 1 1 0 [M-H-HF]- 550.309 26 1.80496233876295 -1.11420971997056 0.45970597216761
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6079 M529T2551 M529.3T42.5 529.299987792969 529.299987792969 529.299987792969 42.5201662432725 42.5201662432725 42.5201662432725 1 1 0 3086 Inf -1.4121892542101 0.39225653381713
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6080 M529T3589 M529.3T59.8 529.299987792969 529.299987792969 529.299987792969 59.8099111549971 59.8099111549971 59.8099111549971 1 1 0 28 1.98945364975624 -0.495937605352471 0.706160160166198
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6081 M529T2584 M529.3T43.1 529.299987792969 529.299987792969 529.299987792969 43.0678995766058 43.0678995766058 43.0678995766058 1 1 0 5746 Inf -1 0.5
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6082 M529T4201 M529.3T70 529.299987792969 529.299987792969 529.299987792969 70.0115045250293 70.0115045250293 70.0115045250293 1 1 0 5704 Inf -1.30087862712248 0.417220951260653
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6083 M529T3423 M529.3T57.1 529.299987792969 529.299987792969 529.299987792969 57.057103190847 57.057103190847 57.057103190847 1 0 1 885 3.13454168711775 0.648759358519262 0.618221844043102
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6084 M529T3936 M529.4T65.6 529.400024414062 529.400024414062 529.400024414062 65.5923732990028 65.5923732990028 65.5923732990028 1 1 0 [M-H+CF3COOH]- 416.425 107 5.39543565536322 -1.36872720811678 0.371088898160672
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6085 M529T3887 M529.4T64.8 529.400024414062 529.400024414062 529.400024414062 64.7879859455199 64.7879859455199 64.7879859455199 1 1 0 2258 1.8099975514925 -0.720449581053744 0.567072246443482
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6086 M529T2931 M529.4T48.9 529.400024414062 529.400024414062 529.400024414062 48.8518426113699 48.8518426113699 48.8518426113699 1 0 1 86 2.20984227835346 -0.529858370881009 0.68114289640613
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6087 M530T4022 M529.5T67 529.5 529.5 529.5 67.0298242711538 67.0298242711538 67.0298242711538 1 1 0 5584 Inf -1 0.5
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6088 M530T4046 M529.5T67.4 529.5 529.5 529.5 67.4407973223917 67.4407973223917 67.4407973223917 1 1 0 4124 Inf -1 0.5
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6089 M530T4111 M529.6T68.5 529.600036621094 529.600036621094 529.600036621094 68.5201145759188 68.5201145759188 68.5201145759188 1 1 0 2314 Inf -1 0.5
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6090 M530T2782 M529.9T46.4 529.900024414062 529.900024414062 529.900024414062 46.3676942436727 46.3676942436727 46.3676942436727 1 0 1 [M+Cl]- 494.933 [M-H]- 530.906 112 Inf 1 0.5
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6091 M530T3728 M530T62.1 530 530 530 62.1361187572841 62.1361187572841 62.1361187572841 1 1 0 84 Inf -1 0.5
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6092 M530T4037 M530T67.3 530 530 530 67.2818438258993 67.2818438258993 67.2818438258993 1 0 1 3782 Inf 1 0.5
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6093 M530T3168 M530T52.8 530 530 530 52.7953942454613 52.7953942454613 52.7953942454613 1 1 0 756 2.30437529133769 -0.974468533228568 0.498197591024681
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6094 M530T4175 M530T69.6 530 530 530 69.5904079700352 69.5904079700352 69.5904079700352 1 1 0 4415 1.88814095497996 -0.436943165325971 0.723265045950879
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6095 M530T4195 M530T69.9 530 530 530 69.9172826384991 69.9172826384991 69.9172826384991 1 0 1 6170 1.05947004297726 0.0866523582300989 0.940307733833964
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6096 M530T3332 M530.1T55.5 530.100036621094 530.100036621094 530.100036621094 55.5388872663233 55.5388872663233 55.5388872663233 1 1 0 1121 30.6441457307988 -0.991791663468549 0.502623308402405
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6097 M530T4221 M530.1T70.4 530.100036621094 530.100036621094 530.100036621094 70.3518106861615 70.3518106861615 70.3518106861615 1 1 0 5989 3.19925536896262 -0.656121972957528 0.615287617612749
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6098 M530T3432 M530.1T57.2 530.100036621094 530.100036621094 530.100036621094 57.2074214757873 57.2074214757873 57.2074214757873 1 0 1 139 1.92827335290455 0.984747640377786 0.493242808134013
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6099 M530T4238 M530.1T70.6 530.100036621094 530.100036621094 530.100036621094 70.6338566931594 70.6338566931594 70.6338566931594 1 1 0 5789 1.67014095721671 0.536834174578406 0.654062572460389
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6100 M530T3347 M530.2T55.8 530.200012207031 530.200012207031 530.200012207031 55.7884663560016 55.7434284078368 55.8746527962526 4 2 2 [M+Cl+NaCOOH]- 427.235 [M-H+NaCOOH]- 463.21 9 1.01304011148248 -0.0849158543975423 0.941314291695728
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6101 M530T4225 M530.2T70.4 530.200012207031 530.200012207031 530.200012207031 70.4171804896116 70.4171804896116 70.4171804896116 1 0 1 171 4.48115967091875 1.81243485629407 0.307178570137395
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6102 M530T4365 M530.2T72.8 530.200012207031 530.200012207031 530.200012207031 72.7536957405337 72.7536957405337 72.7536957405337 1 0 1 6234 Inf 3.2191485680969 0.191743826078601
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6103 M530T2522 M530.3T42 530.299987792969 530.299987792969 530.299987792969 42.0270444711501 42.0270444711501 42.0270444711501 1 0 1 5057 Inf 1 0.5
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6104 M530T4100 M530.4T68.3 530.400024414062 530.400024414062 530.400024414062 68.3372156672256 68.3372156672256 68.3372156672256 1 1 0 5814 Inf -1 0.5
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6105 M530T2551 M530.4T42.5 530.400024414062 530.400024414062 530.400024414062 42.5226111378167 42.5226111378167 42.5226111378167 1 0 1 3087 Inf 1 0.5
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6106 M530T2613 M530.4T43.5 530.400024414062 530.400024414062 530.400024414062 43.5422714460137 43.5422714460137 43.5422714460137 1 1 0 4002 2.70932358318103 -0.591874939940603 0.641968119789765
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6107 M530T3993 M530.4T66.5 530.400024414062 530.400024414062 530.400024414062 66.5423475209995 66.5423475209995 66.5423475209995 1 1 0 4465 Inf -1 0.5
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6108 M530T4166 M530.4T69.4 530.400024414062 530.400024414062 530.400024414062 69.4338653966226 69.4338653966226 69.4338653966226 1 1 0 5930 2.51254405411661 -0.559324547261285 0.656459624758634
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6109 M531T3727 M531T62.1 531 531 531 62.1152861364611 62.1152861364611 62.1152861364611 1 0 1 3579 Inf 1 0.5
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6110 M531T3146 M531T52.4 531 531 531 52.4287045278577 52.4287045278577 52.4287045278577 1 1 0 3044 8.11917701750874 -1.14162837592563 0.450487927421667
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6111 M531T3527 M531.1T58.8 531.100036621094 531.100036621094 531.100036621094 58.7780081104952 58.7780081104952 58.7780081104952 1 1 0 356 5.17370601570039 -1.49799415985461 0.332914949930341
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6112 M531T3348 M531.2T55.8 531.200012207031 531.200012207031 531.200012207031 55.8017814095673 55.7434284078368 55.8746527962526 4 2 2 [122][M]- 7 1.06365438322511 0.859080450034372 0.522247091583729
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6113 M531T3973 M531.2T66.2 531.200012207031 531.200012207031 531.200012207031 66.2186471064123 66.2186471064123 66.2186471064123 2 1 0 1982 2.88943356025436 -0.87480350655224 0.516256060767228
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6114 M531T2731 M531.3T45.5 531.299987792969 531.299987792969 531.299987792969 45.5249249622249 45.5249249622249 45.5249249622249 1 0 1 2448 2.55552769541409 0.566838637897994 0.653053853187792
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6115 M531T4224 M531.3T70.4 531.299987792969 531.299987792969 531.299987792969 70.4041939341676 70.4041939341676 70.4041939341676 1 1 0 [M-H-H2O]- 550.31 171 2.66906598218191 -0.585586246466651 0.644715123416646
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6116 M531T4223 M531.4T70.4 531.400024414062 531.400024414062 531.400024414062 70.3908742584855 70.3908742584855 70.3908742584855 1 0 1 171 3.45945636156059 0.806622357999413 0.559763961648298
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6117 M531T4210 M531.4T70.2 531.400024414062 531.400024414062 531.400024414062 70.168531901892 70.168531901892 70.168531901892 1 1 0 [M-H-C2H4]- 560.433 [M-H-C2H5Cl]- 596.409 140 1.98548461110876 -0.582005769757541 0.624087723920026
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6118 M531T2757 M531.4T45.9 531.400024414062 531.400024414062 531.400024414062 45.9496029783558 45.9496029783558 45.9496029783558 1 0 1 5978 Inf 1 0.5
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6119 M531T4004 M531.4T66.7 531.400024414062 531.400024414062 531.400024414062 66.7373675287742 66.7373675287742 66.7373675287742 1 0 1 5820 Inf 1 0.5
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6120 M532T4037 M531.5T67.3 531.5 531.5 531.5 67.2914265502955 67.2914265502955 67.2914265502955 1 1 0 3783 Inf -1 0.5
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6121 M532T2534 M531.5T42.2 531.5 531.5 531.5 42.2357111378167 42.2357111378167 42.2357111378167 1 0 1 5892 Inf 1 0.5
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6122 M532T2542 M531.8T42.4 531.799987792969 531.799987792969 531.799987792969 42.3661111378167 42.3661111378167 42.3661111378167 1 0 1 5552 8.22540181650418 0.872004747001467 0.540062014944759
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6123 M532T2905 M531.9T48.4 531.900024414062 531.900024414062 531.900024414062 48.4195025289281 48.4195025289281 48.4195025289281 1 1 0 3923 Inf -1 0.5
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6124 M532T2662 M531.9T44.4 531.900024414062 531.900024414062 531.900024414062 44.3707216271742 44.3707216271742 44.3707216271742 1 0 1 2272 Inf 1.07398351560408 0.477300009525135
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6125 M532T2807 M531.9T46.8 531.900024414062 531.900024414062 531.900024414062 46.7890116701889 46.7890116701889 46.7890116701889 1 0 1 6032 8.72281516775185 0.944922271062075 0.514270365698659
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6126 M532T2896 M532T48.3 532 532 532 48.2626799398078 48.2626799398078 48.2626799398078 1 1 0 [M-H-HCNO]- 576.009 95 50.7725626177201 -0.980114238500726 0.506292236976366
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6127 M532T3160_1 M532T52.7_1 532 532 532 52.6675848142911 52.6675848142911 52.6675848142911 1 1 0 10 14.0081452837762 -12.392050418361 0.0324609257773241
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6128 M532T3252 M532T54.2 532 532 532 54.1990734623451 54.1990734623451 54.1990734623451 1 0 1 [M+Cl]- 497.028 [M-H-HCN]- 560.01 34 1.97073916778504 0.576602711113976 0.649902502049789
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6129 M532T3138 M532T52.3 532 532 532 52.2954483632949 52.2954483632949 52.2954483632949 1 0 1 3123 Inf 1 0.5
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6130 M532T4141 M532.1T69 532.100036621094 532.100036621094 532.100036621094 69.0162711786498 69.0162711786498 69.0162711786498 1 1 0 4242 Inf -1 0.5
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6131 M532T2883 M532.1T48.1 532.100036621094 532.100036621094 532.100036621094 48.0517104703616 48.0517104703616 48.0517104703616 1 1 0 5501 Inf -1 0.5
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6132 M532T3973 M532.1T66.2 532.100036621094 532.100036621094 532.100036621094 66.2186471064123 66.2186471064123 66.2186471064123 1 1 0 1981 3.23351191878464 -1.24220088044012 0.413891519771425
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6133 M532T3482 M532.2T58 532.200012207031 532.200012207031 532.200012207031 58.0400737545261 57.9898675193144 58.0652451156923 4 2 2 [123][M]- [M+HCOO]- 487.204 31 1.1911072780981 1.656413833112 0.341687639834995
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6134 M532T2869 M532.2T47.8 532.200012207031 532.200012207031 532.200012207031 47.8102881184304 47.7324648504356 47.8738616553085 4 2 2 [124][M]- [M+Cl]- 497.231 87 1.17307500010805 0.19683353993093 0.876125575045316
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6135 M532T3452 M532.2T57.5 532.200012207031 532.200012207031 532.200012207031 57.5369472545413 57.4598633133233 57.6030965008293 4 2 2 [125][M]- 74 1.21852731433014 1.05789165328192 0.401734520520029
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6136 M532T3352 M532.2T55.9 532.200012207031 532.200012207031 532.200012207031 55.8628142299034 55.7974313023316 55.9370665870977 4 2 2 [122][M+1]- 7 1.07190812168528 -0.236794646151406 0.834942867312459
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6137 M532T2548 M532.2T42.5 532.200012207031 532.200012207031 532.200012207031 42.4679995766058 42.4679995766058 42.4679995766058 1 1 0 5152 3.34693877551001 -0.671871570548496 0.609112342406645
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6138 M532T2521 M532.2T42 532.200012207031 532.200012207031 532.200012207031 42.0245995766058 42.0245995766058 42.0245995766058 1 1 0 5058 6.08114528945624 -8.00154622005143 0.0497291539141789
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6139 M532T3730 M532.3T62.2 532.299987792969 532.299987792969 532.299987792969 62.1673415312741 62.1673415312741 62.1673415312741 2 0 1 3539 3.26435380197269 -0.800569393382136 0.558767855692561
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6140 M532T3329 M532.3T55.5 532.299987792969 532.299987792969 532.299987792969 55.4878608086466 55.4878608086466 55.4878608086466 1 0 1 [M+Cl]- 497.328 15 1.1317922259196 -1.35059549384149 0.401225452285635
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6141 M532T3169 M532.3T52.8 532.299987792969 532.299987792969 532.299987792969 52.820858081241 52.820858081241 52.820858081241 1 1 0 790 3.99233259281604 -2.97963569931984 0.202751806033976
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6142 M532T3721 M532.4T62 532.400024414062 532.400024414062 532.400024414062 62.008460136969 61.9797614439352 62.0371588300029 2 1 1 78 6.54959244452762 -0.860898451977643 0.545592670091233
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6143 M532T3908 M532.4T65.1 532.400024414062 532.400024414062 532.400024414062 65.1341527397587 65.1341527397587 65.1341527397587 1 0 1 4849 1.04068530761457 -0.040424079626852 0.974152670656679
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6144 M532T4117 M532.4T68.6 532.400024414062 532.400024414062 532.400024414062 68.6246093674469 68.6246093674469 68.6246093674469 1 1 0 4568 Inf -1 0.5
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6145 M532T3160_2 M532.4T52.7_2 532.400024414062 532.400024414062 532.400024414062 52.6675848142911 52.6675848142911 52.6675848142911 1 1 0 847 Inf -1 0.5
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6146 M532T3790 M532.4T63.2 532.400024414062 532.400024414062 532.400024414062 63.1609050395012 63.1609050395012 63.1609050395012 1 0 1 4461 Inf 1 0.5
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6147 M532T4144 M532.5T69.1 532.5 532.5 532.5 69.0684895681805 69.0684895681805 69.0684895681805 1 1 0 5835 1.71319280790916 -0.359528194121952 0.760733558069474
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6148 M533T2782 M532.7T46.4 532.700012207031 532.700012207031 532.700012207031 46.3676942436727 46.3676942436727 46.3676942436727 1 0 1 4271 Inf 1 0.5
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6149 M533T3301 M532.9T55 532.900024414062 532.900024414062 532.900024414062 55.0118409973691 55.0118409973691 55.0118409973691 1 0 1 5391 Inf 1 0.5
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6150 M533T2544 M532.9T42.4 532.900024414062 532.900024414062 532.900024414062 42.4063680813334 42.4063680813334 42.4063680813334 1 0 1 5167 Inf 1 0.5
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6151 M533T2899 M532.9T48.3 532.900024414062 532.900024414062 532.900024414062 48.3153731170098 48.3153731170098 48.3153731170098 1 1 0 4781 Inf -1 0.5
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6152 M533T2770 M532.9T46.2 532.900024414062 532.900024414062 532.900024414062 46.1708961847819 46.1708961847819 46.1708961847819 1 0 1 5125 Inf 1 0.5
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6153 M533T2844 M532.9T47.4 532.900024414062 532.900024414062 532.900024414062 47.3920502264559 47.3920502264559 47.3920502264559 1 0 1 5529 1.13536483146669 0.089470094123969 0.93697621989621
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6154 M533T3711 M533T61.8 533 533 533 61.8443875035366 61.7916682009438 61.8971068061294 2 1 1 1196 2.46763536196412 0.918046474547884 0.45941397601951
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6155 M533T3148 M533T52.5 533 533 533 52.4665826234117 52.4665826234117 52.4665826234117 1 0 1 3045 Inf 1 0.5
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6156 M533T2521 M533T42 533 533 533 42.0245995766058 42.0245995766058 42.0245995766058 1 1 0 5059 2.69033611370691 -0.58893123807594 0.643250868403579
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6157 M533T3124 M533T52.1 533 533 533 52.0586582754095 52.0586582754095 52.0586582754095 1 0 1 5081 Inf 1 0.5
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6158 M533T3198 M533T53.3 533 533 533 53.3008988298567 53.3008988298567 53.3008988298567 1 1 0 1743 4.01539976248695 -0.728701138937965 0.587901327996244
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6159 M533T3366 M533T56.1 533 533 533 56.1060472233126 56.1060472233126 56.1060472233126 1 1 0 4665 3.69836457979468 -0.704317787811483 0.596806218682392
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6160 M533T3040 M533T50.7 533 533 533 50.6617152145754 50.6617152145754 50.6617152145754 1 0 1 3229 4.4419863330082 0.75595592419171 0.578263646605974
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6161 M533T2689 M533.1T44.8 533.100036621094 533.100036621094 533.100036621094 44.8195764657428 44.7613459684195 44.8574173038808 3 1 2 6 1.41863141766992 0.428696024295795 0.739832733641968
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6162 M533T3349 M533.1T55.8 533.100036621094 533.100036621094 533.100036621094 55.8108282795104 55.7955624154483 55.8260941435724 2 2 0 7 2.4873736132883 -2.03910488034813 0.27215971782265
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6163 M533T3908 M533.1T65.1 533.100036621094 533.100036621094 533.100036621094 65.1396584384625 65.1396584384625 65.1396584384625 1 1 0 4850 3.7764544320682 -0.710706687189193 0.59444568076267
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6164 M533T2881 M533.1T48 533.100036621094 533.100036621094 533.100036621094 48.0207768096326 48.0207768096326 48.0207768096326 1 0 1 [126][M]- [M-H]- 534.105 131 15.2710574072118 1.07093242413654 0.476630815274176
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6165 M533T3028 M533.1T50.5 533.100036621094 533.100036621094 533.100036621094 50.4714835485146 50.4714835485146 50.4714835485146 1 1 0 2117 3.57903361319255 -0.845106131772549 0.548226781777336
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6166 M533T4127_1 M533.1T68.8_1 533.100036621094 533.100036621094 533.100036621094 68.7813078538486 68.7813078538486 68.7813078538486 1 1 0 1508 10.0367356638357 -1.07374207706437 0.473435077659064
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6167 M533T3000 M533.1T50 533.100036621094 533.100036621094 533.100036621094 50.0068041107523 50.0068041107523 50.0068041107523 1 0 1 32 1.82771878383794 0.620248868842861 0.623426008170743
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6168 M533T3483 M533.2T58.1 533.200012207031 533.200012207031 533.200012207031 58.0543318217331 57.9898675193144 58.0879949416152 4 2 2 [123][M+1]- 31 1.02953279745096 -0.141335208090215 0.905220171358506
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6169 M533T2684_1 M533.2T44.7_1 533.200012207031 533.200012207031 533.200012207031 44.740270654862 44.6345715713015 44.740270654862 3 1 1 [M+Cl]- 498.227 6 3.29365791968108 -2.98874028049988 0.203140975827554
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6170 M533T3449 M533.2T57.5 533.200012207031 533.200012207031 533.200012207031 57.4907419468152 57.4598633133233 57.5216205803072 2 2 0 [125][M+1]- 74 1.01346381603218 -0.15109775521195 0.903446293646499
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6171 M533T2866 M533.2T47.8 533.200012207031 533.200012207031 533.200012207031 47.7586831191679 47.7586831191679 47.7586831191679 1 0 1 [124][M+1]- 87 2.65643929906997 0.718972275046854 0.570650116976154
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6172 M533T4127_2 M533.2T68.8_2 533.200012207031 533.200012207031 533.200012207031 68.7816594215337 68.7816594215337 68.7816594215337 1 0 1 23 2.934973522321 3.26618522950849 0.117453757872344
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6173 M533T3289 M533.3T54.8 533.299987792969 533.299987792969 533.299987792969 54.8184125352391 54.8184125352391 54.8184125352391 1 0 1 38 5.17863427655497 0.792263113438552 0.565881041318961
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6174 M533T2878 M533.3T48 533.299987792969 533.299987792969 533.299987792969 47.95871844841 47.95871844841 47.95871844841 1 1 0 4745 1.86501256250693 -0.408758867803622 0.732607783649673
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6175 M533T2684_2 M533.3T44.7_2 533.299987792969 533.299987792969 533.299987792969 44.727118938791 44.727118938791 44.727118938791 1 1 0 668 3.41462542049559 -0.707141599881141 0.608158394946975
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6176 M533T3507 M533.3T58.5 533.299987792969 533.299987792969 533.299987792969 58.4553891318513 58.4553891318513 58.4553891318513 1 0 1 3384 2.43090435583466 0.544369402612497 0.663347739899511
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6177 M533T3415 M533.3T56.9 533.299987792969 533.299987792969 533.299987792969 56.9181117184965 56.9181117184965 56.9181117184965 1 0 1 886 7.90398076398477 0.866573414667734 0.541777028014307
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6178 M533T3780 M533.4T63 533.400024414062 533.400024414062 533.400024414062 63.0023932176446 63.0023932176446 63.0023932176446 1 0 1 3680 Inf 1 0.5
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6179 M533T2738 M533.4T45.6 533.400024414062 533.400024414062 533.400024414062 45.628120700158 45.628120700158 45.628120700158 1 0 1 4438 Inf 1 0.5
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6180 M533T3675 M533.4T61.3 533.400024414062 533.400024414062 533.400024414062 61.2519570581058 61.2519570581058 61.2519570581058 1 0 1 89 Inf 2.6377352423768 0.230693050031162
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6181 M533T3812 M533.4T63.5 533.400024414062 533.400024414062 533.400024414062 63.5304605930993 63.5304605930993 63.5304605930993 1 0 1 2397 1.69400644999442 0.352798900603506 0.76469479537899
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6182 M534T4041 M533.5T67.3 533.5 533.5 533.5 67.341701875434 67.341701875434 67.341701875434 1 0 1 5312 2.63863375517438 0.580711231888587 0.646861846954886
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6183 M534T4183 M533.5T69.7 533.5 533.5 533.5 69.7208450374247 69.7208450374247 69.7208450374247 1 1 0 6019 5.86917258645461 -2.7433042335877 0.127058766545778
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6184 M534T3839 M533.5T64 533.5 533.5 533.5 63.977849295129 63.977849295129 63.977849295129 1 0 1 3169 2.16097361693546 0.487571389736537 0.690860301541909
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6185 M534T2664 M533.7T44.4 533.700012207031 533.700012207031 533.700012207031 44.3944884464446 44.3944884464446 44.3944884464446 1 1 0 2273 1.8710874643098 -0.897049391745733 0.533559696833108
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6186 M534T2779 M533.8T46.3 533.799987792969 533.799987792969 533.799987792969 46.3148340394402 46.3148340394402 46.3148340394402 1 1 0 4279 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6187 M534T2672 M533.9T44.5 533.900024414062 533.900024414062 533.900024414062 44.5290207377522 44.5290207377522 44.5290207377522 1 0 1 4055 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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6188 M534T2893_1 M534T48.2_1 534 534 534 48.2239900144358 48.2239900144358 48.2239900144358 1 0 1 [M+Cl+NH3]- 482.005 95 4.20213122124208 -0.753627081506569 0.584427716976909
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6189 M534T3319 M534T55.3 534 534 534 55.3242954747926 55.3242954747926 55.3242954747926 1 1 0 1151 4.27721443189351 -0.987858581779168 0.481141180362865
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6190 M534T3359 M534T56 534 534 534 55.990251983862 55.990251983862 55.990251983862 1 0 1 734 Inf 1 0.5
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6191 M534T3727 M534T62.1 534 534 534 62.1099996292991 62.1099996292991 62.1099996292991 1 1 0 3543 Inf -1 0.5
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6192 M534T4467 M534T74.4 534 534 534 74.4472203793839 74.4472203793839 74.4472203793839 1 1 0 6239 Inf -1 0.5
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6193 M534T3556 M534.1T59.3 534.100036621094 534.100036621094 534.100036621094 59.2637885237935 59.2530825495194 59.2744944980676 2 2 0 186 2.31931889467317 -1.53401477945226 0.361294369409755
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6194 M534T3675 M534.1T61.3 534.100036621094 534.100036621094 534.100036621094 61.2519570581058 61.2519570581058 61.2519570581058 1 0 1 89 2.37844029175365 0.534255978749578 0.668089272826512
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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6195 M534T2883 M534.1T48 534.100036621094 534.100036621094 534.100036621094 48.0469603938258 48.0469603938258 48.0469603938258 1 0 1 [126][M+1]- 4723 14.60246112744 0.929341761073104 0.522146007546059
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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6196 M534T3583 M534.2T59.7 534.200012207031 534.200012207031 534.200012207031 59.7163735197989 59.6773270792439 59.756367591718 4 2 2 [127][M]- 28 1.06966373487158 0.410341392229191 0.724796826744554
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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6197 M534T2872 M534.2T47.9 534.200012207031 534.200012207031 534.200012207031 47.8635448547683 47.8635448547683 47.8635448547683 1 0 1 4769 3.24895816255583 0.715520288328532 0.60397252064593
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6198 M534T3286 M534.2T54.8 534.200012207031 534.200012207031 534.200012207031 54.766452695745 54.766452695745 54.766452695745 1 0 1 93 1.46061573057371 -0.388075044502269 0.754992728884638
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6199 M534T3906 M534.2T65.1 534.200012207031 534.200012207031 534.200012207031 65.0996975832556 65.0996975832556 65.0996975832556 1 1 0 4851 Inf -1.33239777871889 0.409880039042833
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6200 M534T3931 M534.2T65.5 534.200012207031 534.200012207031 534.200012207031 65.509083322061 65.509083322061 65.509083322061 1 0 1 2946 1.36849115758555 0.258910692523155 0.833963298186445
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6201 M534T3864 M534.3T64.4 534.299987792969 534.299987792969 534.299987792969 64.4031684113159 64.3431672115357 64.4631696110961 2 1 1 [M-H-H2O]- 553.31 21 1.5725135511838 -0.400940518269769 0.731745247781109
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6202 M534T2893_2 M534.3T48.2_2 534.299987792969 534.299987792969 534.299987792969 48.2201124788969 48.2201124788969 48.2201124788969 1 1 0 3842 1.55933022823478 -0.301943446715495 0.795488037558641
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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6203 M534T3666 M534.3T61.1 534.299987792969 534.299987792969 534.299987792969 61.0940809670018 61.0940809670018 61.0940809670018 1 0 1 [M-H-HCN]- 562.31 2 1.58480353627963 -0.900407790313169 0.506376750583243
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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6204 M534T3118 M534.3T52 534.299987792969 534.299987792969 534.299987792969 51.9618833557528 51.9618833557528 51.9618833557528 1 1 0 5032 10.2499809472212 -0.898174473408615 0.531852980148047
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6205 M534T2614 M534.3T43.6 534.299987792969 534.299987792969 534.299987792969 43.5683547793471 43.5683547793471 43.5683547793471 1 1 0 5803 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6206 M534T4114 M534.3T68.6 534.299987792969 534.299987792969 534.299987792969 68.5699403149031 68.5699403149031 68.5699403149031 1 1 0 [M+Cl]- 499.335 [M-H]- 535.309 43 1.06127703865926 -0.111922721475315 0.921546853234078
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6207 M534T3169 M534.3T52.8 534.299987792969 534.299987792969 534.299987792969 52.820858081241 52.820858081241 52.820858081241 1 1 0 791 Inf -1.47381458276809 0.37952599541805
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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6208 M534T2851 M534.3T47.5 534.299987792969 534.299987792969 534.299987792969 47.5200375820765 47.5200375820765 47.5200375820765 1 1 0 6073 1.55734135946099 0.332609714163745 0.773345846152412
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6209 M534T4105 M534.4T68.4 534.400024414062 534.400024414062 534.400024414062 68.4126241167387 68.4126241167387 68.4126241167387 1 1 0 5650 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6210 M534T3929 M534.4T65.5 534.400024414062 534.400024414062 534.400024414062 65.4758462948094 65.4758462948094 65.4758462948094 1 0 1 3016 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6211 M534T3903 M534.4T65.1 534.400024414062 534.400024414062 534.400024414062 65.0553018735158 65.0553018735158 65.0553018735158 1 0 1 4852 Inf 2.17383463339096 0.274480165066037
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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6212 M534T2882 M534.4T48 534.400024414062 534.400024414062 534.400024414062 48.0367053757942 48.0367053757942 48.0367053757942 1 1 0 4746 4.6535644017038 -0.767588380897346 0.574243211590701
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6213 M534T3523 M534.4T58.7 534.400024414062 534.400024414062 534.400024414062 58.7150650367137 58.7150650367137 58.7150650367137 1 0 1 365 3.06096982449333 1.17851988819982 0.371905524393949
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6214 M534T3279 M534.4T54.6 534.400024414062 534.400024414062 534.400024414062 54.6443499441026 54.6443499441026 54.6443499441026 1 0 1 18 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6215 M534T3815 M534.4T63.6 534.400024414062 534.400024414062 534.400024414062 63.5831926317501 63.5831926317501 63.5831926317501 1 0 1 2398 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6216 M534T2534 M534.4T42.2 534.400024414062 534.400024414062 534.400024414062 42.2357111378167 42.2357111378167 42.2357111378167 1 0 1 5893 6.96354702510612 0.84769884207724 0.547776568558436
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6217 M534T3809 M534.5T63.5 534.5 534.5 534.5 63.4777083141576 63.4777083141576 63.4777083141576 1 0 1 3717 Inf 1 0.5
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6218 M535T4171 M534.6T69.5 534.600036621094 534.600036621094 534.600036621094 69.5142005486923 69.5142005486923 69.5142005486923 1 1 0 5931 Inf -1 0.5
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6219 M535T2620 M534.6T43.7 534.600036621094 534.600036621094 534.600036621094 43.6583347480001 43.6583347480001 43.6583347480001 1 0 1 2668 Inf 1.83559633215756 0.31756396561763
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6220 M535T2700 M534.7T45 534.700012207031 534.700012207031 534.700012207031 45.0066297489416 45.0066297489416 45.0066297489416 1 0 1 4874 1.54226332227444 0.295014508199624 0.799795726733755
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6221 M535T2584 M534.7T43.1 534.700012207031 534.700012207031 534.700012207031 43.0703444711501 43.0703444711501 43.0703444711501 1 0 1 5747 Inf 1 0.5
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6222 M535T2893 M534.8T48.2 534.799987792969 534.799987792969 534.799987792969 48.2201124788969 48.2201124788969 48.2201124788969 1 1 0 3843 Inf -1 0.5
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6223 M535T2684 M534.8T44.7 534.799987792969 534.799987792969 534.799987792969 44.727118938791 44.727118938791 44.727118938791 1 1 0 [M-H]- 535.81 6 10.8735892966174 -1.15145547854621 0.451259427576564
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6224 M535T2529 M534.9T42.1 534.900024414062 534.900024414062 534.900024414062 42.1455347480001 42.1455347480001 42.1455347480001 1 0 1 188 1.52628361858198 0.449895518164483 0.704886601619454
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6225 M535T3375 M534.9T56.3 534.900024414062 534.900024414062 534.900024414062 56.2560439698153 56.2560439698153 56.2560439698153 1 0 1 1587 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6226 M535T2569 M534.9T42.8 534.900024414062 534.900024414062 534.900024414062 42.8236847480001 42.8236847480001 42.8236847480001 1 0 1 5298 8.13125837369851 1.67562327049035 0.322857538873631
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6227 M535T3231 M534.9T53.9 534.900024414062 534.900024414062 534.900024414062 53.8581637943718 53.8581637943718 53.8581637943718 1 1 0 2724 3.35122449822527 -0.809610343232074 0.542418956899683
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6229 M535T3978 M535T66.3 535 535 535 66.2933347129474 66.2933347129474 66.2933347129474 1 0 1 1981 Inf 1 0.5
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6230 M535T3338 M535T55.6 535 535 535 55.6389611112185 55.6389611112185 55.6389611112185 1 1 0 [M-H-C3H2]- 574.01 [M-H-C2N]- 574.01 [M-H-F2]- 574.01 15 2.63669430545736 -0.619112016030921 0.646216129084482
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6231 M535T3640 M535.1T60.7 535.100036621094 535.100036621094 535.100036621094 60.6714308407588 60.6714308407588 60.6714308407588 1 0 1 2855 1.23482048346584 0.158049601988774 0.889046878356351
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6232 M535T3611 M535.1T60.2 535.100036621094 535.100036621094 535.100036621094 60.1758107539694 60.1758107539694 60.1758107539694 1 1 0 2568 Inf -1.90963321071324 0.307103189588706
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6233 M535T3583 M535.2T59.7 535.200012207031 535.200012207031 535.200012207031 59.714642734606 59.6549207175915 59.782889852605 4 2 2 [127][M+1]- 28 1.04113795656869 0.201670088671645 0.860541519491199
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6234 M535T3268 M535.3T54.5 535.299987792969 535.299987792969 535.299987792969 54.4607175420238 54.4607175420238 54.4607175420238 1 0 1 5477 Inf 1 0.5
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6235 M535T3510 M535.3T58.5 535.299987792969 535.299987792969 535.299987792969 58.5049043819478 58.5049043819478 58.5049043819478 1 1 0 119 3.9477203496229 -1.32313687065266 0.410074330106669
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6236 M535T4100 M535.4T68.3 535.400024414062 535.400024414062 535.400024414062 68.3339690100793 68.3339690100793 68.3339690100793 1 1 0 5815 24.8317094858677 -1.6086961844031 0.352431068260175
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6237 M535T4118 M535.4T68.6 535.400024414062 535.400024414062 535.400024414062 68.6287722971562 68.6287722971562 68.6287722971562 1 0 1 4569 Inf 1.5659428605161 0.361800139546792
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6238 M535T3180 M535.4T53 535.400024414062 535.400024414062 535.400024414062 53.0026153992651 53.0026153992651 53.0026153992651 1 1 0 2202 1.90393874675705 -0.46623793397485 0.717945984135359
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6239 M535T4155 M535.4T69.3 535.400024414062 535.400024414062 535.400024414062 69.2512124838132 69.2512124838132 69.2512124838132 1 1 0 6211 Inf -1.80119892903839 0.322649011409594
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6240 M535T4180 M535.4T69.7 535.400024414062 535.400024414062 535.400024414062 69.6597049874586 69.6597049874586 69.6597049874586 1 0 1 4416 Inf 1 0.5
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6241 M535T2839 M535.4T47.3 535.400024414062 535.400024414062 535.400024414062 47.3091038574282 47.3091038574282 47.3091038574282 1 1 0 125 Inf -1 0.5
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6242 M535T3800 M535.4T63.3 535.400024414062 535.400024414062 535.400024414062 63.336961218788 63.336961218788 63.336961218788 1 0 1 2841 Inf 3.69523221298145 0.168251395404879
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6243 M535T3411 M535.4T56.9 535.400024414062 535.400024414062 535.400024414062 56.8503510146345 56.8503510146345 56.8503510146345 1 0 1 887 Inf 1 0.5
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6244 M535T2935 M535.4T48.9 535.400024414062 535.400024414062 535.400024414062 48.909336203624 48.909336203624 48.909336203624 1 1 0 2795 Inf -1.4589784951678 0.382524117968446
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6245 M535T2761 M535.4T46 535.400024414062 535.400024414062 535.400024414062 46.0235514467423 46.0235514467423 46.0235514467423 1 0 1 3811 Inf 1 0.5
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6246 M535T3742 M535.4T62.4 535.400024414062 535.400024414062 535.400024414062 62.3690182500501 62.3690182500501 62.3690182500501 1 0 1 1075 5.54037104268472 0.806475343242146 0.561157586130009
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6247 M536T4173 M535.5T69.6 535.5 535.5 535.5 69.5575455437929 69.4700007875602 69.6450903000255 2 1 1 [M-H-HF]- 556.525 115 6.44075577581299 -1.12503683081888 0.450391567214501
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6248 M536T2690 M535.5T44.8 535.5 535.5 535.5 44.8314309752569 44.8314309752569 44.8314309752569 1 1 0 669 Inf -1 0.5
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6249 M536T3532 M535.9T58.9 535.900024414062 535.900024414062 535.900024414062 58.8733962348933 58.8733962348933 58.8733962348933 1 1 0 1974 Inf -1 0.5
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6250 M536T2729 M535.9T45.5 535.900024414062 535.900024414062 535.900024414062 45.4910073783904 45.4910073783904 45.4910073783904 1 1 0 2520 Inf -1 0.5
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6251 M536T2832 M535.9T47.2 535.900024414062 535.900024414062 535.900024414062 47.2028217810781 47.2028217810781 47.2028217810781 1 1 0 4587 Inf -4.63616204347406 0.135244129736619
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6252 M536T3152 M536T52.5 536 536 536 52.5389988150473 52.5389988150473 52.5389988150473 1 1 0 64 3.410753858367 -0.793387076445718 0.551094134985634
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6253 M536T3283 M536T54.7 536 536 536 54.7226026997807 54.7226026997807 54.7226026997807 1 1 0 1249 2.27086024848295 -0.559567800030974 0.675184782130277
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6254 M536T3172 M536T52.9 536 536 536 52.8716986018717 52.8716986018717 52.8716986018717 1 1 0 792 2.73939226594268 -1.15289545457672 0.369626381838908
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6255 M536T4214 M536T70.2 536 536 536 70.2266944485552 70.2266944485552 70.2266944485552 1 0 1 5323 Inf 1 0.5
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6256 M536T3940 M536.1T65.7 536.100036621094 536.100036621094 536.100036621094 65.6658529809898 65.6658529809898 65.6658529809898 1 0 1 107 3.5303297633608 0.713761664129605 0.603759708001368
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6257 M536T3544 M536.1T59.1 536.100036621094 536.100036621094 536.100036621094 59.0600521059129 59.0600521059129 59.0600521059129 1 1 0 2321 1.12181139590653 -0.629017585534898 0.622575175167575
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6258 M536T4190 M536.1T69.8 536.100036621094 536.100036621094 536.100036621094 69.8283074342015 69.8283074342015 69.8283074342015 1 1 0 6082 2.00351143148255 -0.448154379678282 0.711224073348886
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6259 M536T3566 M536.2T59.4 536.200012207031 536.200012207031 536.200012207031 59.4357194890303 59.4305471949041 59.4731537769989 3 1 2 [M-H-CO2]- 581.205 [M-H-N2O]- 581.205 27 1.14414731246208 0.377970594064067 0.767896091582628
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6260 M536T3710 M536.2T61.8 536.200012207031 536.200012207031 536.200012207031 61.8354891839008 61.7394357187606 61.9589721470657 4 2 2 [128][M]- [M-H]- 537.212 17 1.12839508959323 0.25118132218546 0.84279562524768
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6261 M536T2712 M536.2T45.2 536.200012207031 536.200012207031 536.200012207031 45.2077855778326 45.2077855778326 45.2077855778326 1 1 0 2521 Inf -1.28489824438886 0.421029043711353
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6262 M536T4477 M536.2T74.6 536.200012207031 536.200012207031 536.200012207031 74.6166858483176 74.6166858483176 74.6166858483176 1 0 1 6118 Inf 1.37558443645615 0.400175470533432
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6263 M536T2898 M536.2T48.3 536.200012207031 536.200012207031 536.200012207031 48.3081744087354 48.3081744087354 48.3081744087354 1 0 1 4782 Inf 1.81380816291032 0.320767781254135
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6264 M536T3905 M536.3T65.1 536.299987792969 536.299987792969 536.299987792969 65.0910271133202 65.0387550612303 65.14329916541 2 0 1 4853 3.91240846423002 0.956450995181205 0.506212860355214
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6265 M536T2733 M536.3T45.5 536.299987792969 536.299987792969 536.299987792969 45.542602780453 45.542602780453 45.542602780453 1 1 0 2522 Inf -1 0.5
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6266 M536T3413 M536.3T56.9 536.299987792969 536.299987792969 536.299987792969 56.8855316512942 56.8855316512942 56.8855316512942 1 1 0 11 1.63491330481872 -0.331289309333761 0.777537542362746
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6267 M536T3451 M536.3T57.5 536.299987792969 536.299987792969 536.299987792969 57.5130008796504 57.5130008796504 57.5130008796504 1 1 0 3338 1.47411998798247 -0.847539943936828 0.515329782047217
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6268 M536T3055 M536.3T50.9 536.299987792969 536.299987792969 536.299987792969 50.9160977155763 50.9160977155763 50.9160977155763 1 1 0 [M-H-C3H2]- 575.31 [M-H-C2N]- 575.31 [M-H-F2]- 575.31 81 Inf -1 0.5
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6269 M536T4048 M536.4T67.5 536.400024414062 536.400024414062 536.400024414062 67.4671591808225 67.4671591808225 67.4671591808225 1 1 0 4125 4.50821018717023 -1.0835821246091 0.448789641971751
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6270 M536T4398 M536.4T73.3 536.400024414062 536.400024414062 536.400024414062 73.3014290738671 73.3014290738671 73.3014290738671 1 0 1 6113 Inf 1 0.5
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6271 M536T4464 M536.5T74.4 536.5 536.5 536.5 74.3968957405337 74.3968957405337 74.3968957405337 1 0 1 6244 Inf 1 0.5
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6272 M536T4182 M536.5T69.7 536.5 536.5 536.5 69.6947584361798 69.6947584361798 69.6947584361798 1 1 0 6020 Inf -1 0.5
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6273 M537T4449 M536.6T74.1 536.600036621094 536.600036621094 536.600036621094 74.1472025149842 74.1472025149842 74.1472025149842 1 0 1 6077 Inf 1 0.5
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6274 M537T3940 M536.9T65.7 536.900024414062 536.900024414062 536.900024414062 65.6685911472988 65.6685911472988 65.6685911472988 1 1 0 4168 Inf -1 0.5
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6275 M537T2848 M536.9T47.5 536.900024414062 536.900024414062 536.900024414062 47.4675587098144 47.4675587098144 47.4675587098144 1 1 0 5634 Inf -1 0.5
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6276 M537T2671 M536.9T44.5 536.900024414062 536.900024414062 536.900024414062 44.5194788960168 44.5194788960168 44.5194788960168 1 0 1 4056 2.07904602553832 0.467718871666218 0.700986537333237
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6277 M537T3408 M536.9T56.8 536.900024414062 536.900024414062 536.900024414062 56.8008974440787 56.8008974440787 56.8008974440787 1 1 0 50 10.4935476672642 -1.47880682296378 0.370230156033526
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6278 M537T3661 M537T61 537 537 537 61.0095676641139 61.0095676641139 61.0095676641139 1 1 0 2 Inf -8.34022132348002 0.0759686183059591
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6279 M537T3934 M537T65.6 537 537 537 65.5613379214679 65.5613379214679 65.5613379214679 1 0 1 2941 Inf 1 0.5
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6280 M537T3822 M537.1T63.7 537.100036621094 537.100036621094 537.100036621094 63.7024252644404 63.7024252644404 63.7024252644404 1 0 1 1893 Inf 1 0.5
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6281 M537T3967 M537.1T66.1 537.100036621094 537.100036621094 537.100036621094 66.1187165965565 66.1187165965565 66.1187165965565 1 1 0 2062 4.94072428514802 -0.781748854120957 0.569417969398826
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6282 M537T3797 M537.1T63.3 537.100036621094 537.100036621094 537.100036621094 63.2753360145463 63.2753360145463 63.2753360145463 1 1 0 4621 Inf -1 0.5
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6283 M537T3711 M537.2T61.8 537.200012207031 537.200012207031 537.200012207031 61.8484417353214 61.7394357187606 61.932895495876 4 2 2 [128][M+1]- 17 1.03358022711152 0.0688559644284577 0.956181926471241
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6284 M537T2869 M537.2T47.8 537.200012207031 537.200012207031 537.200012207031 47.8161038168281 47.8161038168281 47.8161038168281 1 1 0 3638 1.68072868542841 0.381333750631639 0.757540587751761
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6285 M537T4135 M537.2T68.9 537.200012207031 537.200012207031 537.200012207031 68.9178140980764 68.9178140980764 68.9178140980764 1 0 1 [M-H-C2H2]- 564.228 99 2.40679919309495 1.07322867074025 0.409321086331432
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6286 M537T2534 M537.2T42.2 537.200012207031 537.200012207031 537.200012207031 42.2357111378167 42.2357111378167 42.2357111378167 1 0 1 5894 1.0919505241106 0.083713372587061 0.946589935579606
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6287 M537T4124 M537.3T68.7 537.299987792969 537.299987792969 537.299987792969 68.7290731433405 68.7290731433405 68.7290731433405 1 1 0 1742 6.94143258245931 -1.78509511627411 0.314118922220598
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6288 M537T2756 M537.3T45.9 537.299987792969 537.299987792969 537.299987792969 45.9313544245347 45.9313544245347 45.9313544245347 1 1 0 5824 4.13145873588081 -0.73668227352314 0.585046013611928
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6289 M537T2638 M537.3T44 537.299987792969 537.299987792969 537.299987792969 43.9749350773505 43.9749350773505 43.9749350773505 1 0 1 2669 Inf 1 0.5
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6290 M537T3150 M537.3T52.5 537.299987792969 537.299987792969 537.299987792969 52.5068787390549 52.5068787390549 52.5068787390549 1 1 0 3046 6.29565381429741 -0.830745661074853 0.553227780656025
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6291 M537T2781 M537.3T46.4 537.299987792969 537.299987792969 537.299987792969 46.3513925801032 46.3513925801032 46.3513925801032 1 1 0 112 8.14083156884711 -0.870618606283981 0.540499273951286
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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6292 M537T4177 M537.4T69.6 537.400024414062 537.400024414062 537.400024414062 69.6217308155214 69.5226165936182 69.7208450374247 2 1 1 [M+Cl]- 502.433 [M-H]- 538.409 115 1.88970398476535 0.700301170389778 0.597303922851999
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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6293 M537T3848 M537.4T64.1 537.400024414062 537.400024414062 537.400024414062 64.1390715523787 64.1390715523787 64.1390715523787 1 1 0 1415 4.03578039071737 -0.730136334750757 0.587385783237739
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6294 M537T3836 M537.4T63.9 537.400024414062 537.400024414062 537.400024414062 63.9252990982341 63.9252990982341 63.9252990982341 1 0 1 3342 1.07194585875712 0.0547034272181184 0.961816548482159
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6295 M537T2652 M537.4T44.2 537.400024414062 537.400024414062 537.400024414062 44.207951368371 44.207951368371 44.207951368371 1 1 0 5848 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6296 M537T4132 M537.4T68.9 537.400024414062 537.400024414062 537.400024414062 68.8596528462587 68.8596528462587 68.8596528462587 1 1 0 1509 57.530762768807 -1.22884419472773 0.434717793643242
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6297 M537T2596 M537.4T43.3 537.400024414062 537.400024414062 537.400024414062 43.2670847480001 43.2670847480001 43.2670847480001 1 0 1 2904 Inf 2.01252609603333 0.293580317676154
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6298 M537T3166 M537.4T52.8 537.400024414062 537.400024414062 537.400024414062 52.7679352198924 52.7679352198924 52.7679352198924 1 1 0 819 9.15685183580776 -0.885527257437283 0.535810317788902
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6299 M537T3019 M537.4T50.3 537.400024414062 537.400024414062 537.400024414062 50.3229981256373 50.3229981256373 50.3229981256373 1 0 1 2155 4.12534109663732 1.69521074723274 0.252641483147859
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6300 M537T3459 M537.4T57.7 537.400024414062 537.400024414062 537.400024414062 57.6519855855243 57.6519855855243 57.6519855855243 1 1 0 19 Inf -1 0.5
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6301 M538T2909 M537.5T48.5 537.5 537.5 537.5 48.4831620273513 48.4831620273513 48.4831620273513 1 1 0 2778 Inf -1 0.5
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6302 M538T2853 M537.7T47.5 537.700012207031 537.700012207031 537.700012207031 47.546201958519 47.546201958519 47.546201958519 1 1 0 4267 Inf -1 0.5
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6303 M538T2691 M537.8T44.9 537.799987792969 537.799987792969 537.799987792969 44.8574173038808 44.8574173038808 44.8574173038808 1 1 0 670 2.34821626373874 -0.528240502121238 0.670941689009048
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6304 M538T2916 M537.9T48.6 537.900024414062 537.900024414062 537.900024414062 48.5994804250865 48.5994804250865 48.5994804250865 1 1 0 [M-H]- 538.912 56 2.19394899504461 -0.566114786911927 0.655357217940508
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6305 M538T3511 M538T58.5 538 538 538 58.5232379967681 58.489427289443 58.5570487040932 2 2 0 [M+Cl]- 503.028 119 6.88775670482801 -1.31724957642964 0.397540183730427
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6306 M538T4162 M538T69.4 538 538 538 69.3647791271153 69.3647791271153 69.3647791271153 1 0 1 6037 Inf 1 0.5
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6307 M538T3506 M538.1T58.4 538.100036621094 538.100036621094 538.100036621094 58.4270605014527 58.4270605014527 58.4270605014527 1 1 0 3385 2.84005948404893 -0.918666790389485 0.526898349584568
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6308 M538T3568 M538.1T59.5 538.100036621094 538.100036621094 538.100036621094 59.4731537769989 59.4731537769989 59.4731537769989 1 0 1 1679 1.02804410145223 0.0271463704442668 0.982657807582233
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6309 M538T3922 M538.1T65.4 538.100036621094 538.100036621094 538.100036621094 65.3707090592266 65.3707090592266 65.3707090592266 1 0 1 2969 2.05193479812423 0.507529950144264 0.677549630571292
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6310 M538T3706 M538.2T61.8 538.200012207031 538.200012207031 538.200012207031 61.767025784375 61.7394357187606 61.7946158499894 2 1 1 [128][M+2]- 17 1.06324465404778 0.168149601413527 0.88320359311162
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6311 M538T4121 M538.2T68.7 538.200012207031 538.200012207031 538.200012207031 68.6813180349399 68.6813180349399 68.6813180349399 1 0 1 1734 1.05935581820315 -0.0650951768757808 0.955623015444403
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6312 M538T4184 M538.2T69.7 538.200012207031 538.200012207031 538.200012207031 69.7330875131631 69.7330875131631 69.7330875131631 1 0 1 6021 Inf 1.39930123855615 0.395013421851462
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6313 M538T4211 M538.2T70.2 538.200012207031 538.200012207031 538.200012207031 70.1751457416704 70.1751457416704 70.1751457416704 1 0 1 4943 4.51437306098222 1.01136391699141 0.47515506175185
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6314 M538T3906 M538.2T65.1 538.200012207031 538.200012207031 538.200012207031 65.1078690319994 65.1078690319994 65.1078690319994 1 0 1 4787 5.36446284512375 1.34239131638744 0.406084737469016
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6315 M538T4135 M538.3T68.9 538.299987792969 538.299987792969 538.299987792969 68.9115088116202 68.9111583876206 68.9118592356197 2 2 0 [2M-H+Cl]2- 521.31 99 2.34630445846769 -4.01000660486542 0.148982791903032
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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6316 M538T2885 M538.3T48.1 538.299987792969 538.299987792969 538.299987792969 48.0893577943672 48.0893577943672 48.0893577943672 1 0 1 5663 Inf 1 0.5
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6317 M538T4096 M538.3T68.3 538.299987792969 538.299987792969 538.299987792969 68.2588180815891 68.2588180815891 68.2588180815891 1 1 0 150 1.18820555224805 -0.485466872433627 0.711035282267319
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6318 M538T3462 M538.3T57.7 538.299987792969 538.299987792969 538.299987792969 57.7036355903823 57.7036355903823 57.7036355903823 1 1 0 19 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6319 M538T3991 M538.3T66.5 538.299987792969 538.299987792969 538.299987792969 66.515876976604 66.515876976604 66.515876976604 1 1 0 118 2.19355564316738 -0.495098472209985 0.687090123152004
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6320 M538T3727 M538.3T62.1 538.299987792969 538.299987792969 538.299987792969 62.1099996292991 62.1099996292991 62.1099996292991 1 1 0 [129][M]- 3580 1.79986276006814 -0.424372752488467 0.73516498649106
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6321 M538T3408 M538.3T56.8 538.299987792969 538.299987792969 538.299987792969 56.8008974440787 56.8008974440787 56.8008974440787 1 1 0 2553 11.8587451757737 -1.30370884491067 0.411944881428542
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6322 M538T3130 M538.3T52.2 538.299987792969 538.299987792969 538.299987792969 52.1689159708957 52.1689159708957 52.1689159708957 1 1 0 5002 3.81575283064133 -0.713822374108474 0.593301663078983
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6323 M538T4139 M538.4T69 538.400024414062 538.400024414062 538.400024414062 68.9884877004979 68.9440961100042 68.9901597969697 3 1 2 3995 3.22265734912434 2.16438093255224 0.255682787027259
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6324 M538T3090 M538.4T51.5 538.400024414062 538.400024414062 538.400024414062 51.4929170597402 51.4929170597402 51.4929170597402 1 0 1 166 3.52904417220805 0.689490421751664 0.60236255093076
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6325 M538T3894 M538.4T64.9 538.400024414062 538.400024414062 538.400024414062 64.9020495317245 64.9020495317245 64.9020495317245 1 1 0 4909 5.98513442309575 -0.821531395862569 0.5562195443414
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6326 M538T2599 M538.4T43.3 538.400024414062 538.400024414062 538.400024414062 43.3192514146668 43.3192514146668 43.3192514146668 1 0 1 2905 2.32093023255815 0.553969425547521 0.670347384137817
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6327 M538T3459 M538.4T57.7 538.400024414062 538.400024414062 538.400024414062 57.6519855855243 57.6519855855243 57.6519855855243 1 1 0 1292 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6328 M538T2633 M538.5T43.9 538.5 538.5 538.5 43.8823697168634 43.8823697168634 43.8823697168634 1 0 1 2670 4.39375510432739 0.753144147744172 0.579243497959136
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6329 M538T2925 M538.5T48.8 538.5 538.5 538.5 48.7559206276137 48.7559206276137 48.7559206276137 1 0 1 2877 Inf 4.4115822784178 0.141908370663228
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6330 M538T2613 M538.5T43.5 538.5 538.5 538.5 43.5422714460137 43.5422714460137 43.5422714460137 1 1 0 100 Inf -1 0.5
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6331 M539T2738 M538.7T45.6 538.700012207031 538.700012207031 538.700012207031 45.628120700158 45.628120700158 45.628120700158 1 0 1 4439 Inf 1 0.5
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6332 M539T2541 M538.8T42.4 538.799987792969 538.799987792969 538.799987792969 42.3542014146668 42.3542014146668 42.3542014146668 1 0 1 5553 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6333 M539T2632 M538.8T43.9 538.799987792969 538.799987792969 538.799987792969 43.8693976674685 43.8693976674685 43.8693976674685 1 0 1 2627 Inf 1 0.5
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6334 M539T2552 M538.9T42.5 538.900024414062 538.900024414062 538.900024414062 42.5367847480001 42.5367847480001 42.5367847480001 1 0 1 3088 Inf 1.37183382814635 0.401002505335586
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6335 M539T2956 M538.9T49.3 538.900024414062 538.900024414062 538.900024414062 49.2660849033677 49.2660849033677 49.2660849033677 1 0 1 3200 1.31713493967319 0.191768723419447 0.866749970023067
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6336 M539T2671 M538.9T44.5 538.900024414062 538.900024414062 538.900024414062 44.5168831358622 44.5168831358622 44.5168831358622 1 1 0 4057 11.2669016702326 -1.69453912052658 0.329512901431112
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6337 M539T4065 M539T67.7 539 539 539 67.7478038898782 67.7478038898782 67.7478038898782 1 0 1 3906 5.04861870400128 0.786643172676006 0.567766868056714
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6338 M539T3249 M539T54.1 539 539 539 54.1467271041685 54.1467271041685 54.1467271041685 1 0 1 1903 Inf 1 0.5
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6339 M539T3633 M539T60.5 539 539 539 60.5441153467027 60.5441153467027 60.5441153467027 1 1 0 45 4.26319762695182 -0.745207716824952 0.582026679162879
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6340 M539T3377 M539T56.3 539 539 539 56.2899640785298 56.2899640785298 56.2899640785298 1 1 0 1588 Inf -1 0.5
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6341 M539T3363 M539T56 539 539 539 56.0434326305456 56.0434326305456 56.0434326305456 1 0 1 4666 1.86819342232641 0.409719116739394 0.732074496814993
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6342 M539T3214 M539T53.6 539 539 539 53.5721125297962 53.5721125297962 53.5721125297962 1 0 1 4332 10.1786702975114 0.897434715061318 0.532084037049348
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6343 M539T3410 M539T56.8 539 539 539 56.8389483272374 56.8389483272374 56.8389483272374 1 0 1 2554 1.72413589474866 0.363312398926427 0.758518033796908
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6344 M539T3186 M539T53.1 539 539 539 53.106902764706 53.106902764706 53.106902764706 1 1 0 2203 Inf -1 0.5
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6345 M539T4075 M539.1T67.9 539.100036621094 539.100036621094 539.100036621094 67.9190323704023 67.9190323704023 67.9190323704023 1 1 0 3907 4.65367861033729 -0.767594368393655 0.574241155651461
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6346 M539T4118 M539.2T68.6 539.200012207031 539.200012207031 539.200012207031 68.6287722971562 68.6287722971562 68.6287722971562 1 0 1 4570 1.48343100809699 0.52264870899749 0.662756721287113
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6347 M539T2914 M539.2T48.6 539.200012207031 539.200012207031 539.200012207031 48.5738329707945 48.5738329707945 48.5738329707945 1 1 0 [M-H-H2O]- 558.21 56 5.15978887000499 -1.10412395008363 0.467156374757938
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6348 M539T3461 M539.3T57.7 539.299987792969 539.299987792969 539.299987792969 57.6800603677098 57.6800603677098 57.6800603677098 1 0 1 19 1.39339188018212 0.265723704295743 0.815504826039298
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6349 M539T3296 M539.3T54.9 539.299987792969 539.299987792969 539.299987792969 54.9296169402431 54.9296169402431 54.9296169402431 1 1 0 52 1.21032978874745 -0.825002769771631 0.528859609552765
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6350 M539T3736 M539.3T62.3 539.299987792969 539.299987792969 539.299987792969 62.2670501867713 62.2670501867713 62.2670501867713 1 1 0 [129][M+1]- 3538 1.91380574797734 -0.477447142235651 0.716404226934646
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6351 M539T3487 M539.3T58.1 539.299987792969 539.299987792969 539.299987792969 58.1215299649984 58.1215299649984 58.1215299649984 1 1 0 [M-H]- 540.305 [M-H-HCNO]- 583.309 31 Inf -10.9577076733051 0.057937411109527
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6352 M539T3032 M539.3T50.5 539.299987792969 539.299987792969 539.299987792969 50.5326675803136 50.5326675803136 50.5326675803136 1 0 1 39 2.74780415989776 1.53599660753479 0.298339148327984
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6353 M539T3251 M539.3T54.2 539.299987792969 539.299987792969 539.299987792969 54.1855330204086 54.1855330204086 54.1855330204086 1 1 0 1928 13.772804229008 -4.3822180164175 0.103063955494461
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6354 M539T3504 M539.4T58.4 539.400024414062 539.400024414062 539.400024414062 58.403743769366 58.403743769366 58.403743769366 1 0 1 3386 1.12290482855479 -0.0817385262964046 0.942386080164042
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6355 M539T3873 M539.4T64.6 539.400024414062 539.400024414062 539.400024414062 64.5531370274214 64.5531370274214 64.5531370274214 1 1 0 2751 6.29298581853097 -1.43659766938668 0.362920494499374
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6356 M539T3264 M539.4T54.4 539.400024414062 539.400024414062 539.400024414062 54.4057956275947 54.4057956275947 54.4057956275947 1 1 0 85 Inf -1 0.5
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6357 M539T4090 M539.4T68.2 539.400024414062 539.400024414062 539.400024414062 68.1613971222857 68.1613971222857 68.1613971222857 1 0 1 4985 2.30405145797548 1.29001394486577 0.413024505188905
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6358 M539T4139 M539.4T69 539.400024414062 539.400024414062 539.400024414062 68.9901597969697 68.9901597969697 68.9901597969697 1 1 0 4243 4.31670000565608 -1.41613262393903 0.372959945459049
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6359 M539T3013 M539.4T50.2 539.400024414062 539.400024414062 539.400024414062 50.2142096767481 50.2142096767481 50.2142096767481 1 1 0 2088 Inf -1 0.5
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6360 M539T3638 M539.4T60.6 539.400024414062 539.400024414062 539.400024414062 60.6349610792105 60.6349610792105 60.6349610792105 1 1 0 59 7.01341190435638 -5.76045192260896 0.0834095278112423
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6361 M539T3210 M539.4T53.5 539.400024414062 539.400024414062 539.400024414062 53.4987026834318 53.4987026834318 53.4987026834318 1 1 0 4287 7.87198951716398 -0.866007759909104 0.541955908963953
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6362 M539T3391 M539.4T56.5 539.400024414062 539.400024414062 539.400024414062 56.5214418884401 56.5214418884401 56.5214418884401 1 0 1 464 Inf 1.32286599408973 0.412076569216691
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6363 M539T3359 M539.4T56 539.400024414062 539.400024414062 539.400024414062 55.9771730376966 55.9771730376966 55.9771730376966 1 1 0 691 12.933854356797 -0.919938004335877 0.525071093683176
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6364 M539T2562 M539.4T42.7 539.400024414062 539.400024414062 539.400024414062 42.7027495766058 42.7027495766058 42.7027495766058 1 1 0 3089 Inf -1 0.5
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6365 M539T2534 M539.4T42.2 539.400024414062 539.400024414062 539.400024414062 42.2357111378167 42.2357111378167 42.2357111378167 1 0 1 5895 5.57921033187285 0.807888696044338 0.560691264643637
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6366 M540T3501 M539.5T58.4 539.5 539.5 539.5 58.3580034249702 58.3580034249702 58.3580034249702 1 1 0 3387 Inf -1.38186480357546 0.398797195301349
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6367 M540T4178 M539.5T69.6 539.5 539.5 539.5 69.627839488714 69.627839488714 69.627839488714 1 0 1 4417 14.5657446965319 0.929158593656193 0.522202975819377
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6368 M540T4146 M539.5T69.1 539.5 539.5 539.5 69.1018003546855 69.1018003546855 69.1018003546855 1 0 1 5619 4.5876950716786 0.764084349301606 0.575448744009625
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6369 M540T2689 M539.7T44.8 539.700012207031 539.700012207031 539.700012207031 44.8156498104774 44.8156498104774 44.8156498104774 1 0 1 671 Inf 1 0.5
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6370 M540T3061 M539.9T51 539.900024414062 539.900024414062 539.900024414062 51.0207798693272 51.0207798693272 51.0207798693272 1 1 0 5414 Inf -1 0.5
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6371 M540T3865 M539.9T64.4 539.900024414062 539.900024414062 539.900024414062 64.4245704195963 64.4245704195963 64.4245704195963 1 0 1 1416 Inf 1 0.5
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6372 M540T3124 M540T52.1 540 540 540 52.0711163460589 52.0711163460589 52.0711163460589 1 1 0 5082 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6373 M540T2559 M540T42.7 540 540 540 42.6530278044834 42.6530278044834 42.6530278044834 1 0 1 3090 1.50348027842219 0.278832565791217 0.809954897115025
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6374 M540T2667 M540T44.4 540 540 540 44.4477486267792 44.4477486267792 44.4477486267792 1 1 0 4058 4.78046003596017 -0.774060640235372 0.572028664331649
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6375 M540T3603 M540.1T60.1 540.100036621094 540.100036621094 540.100036621094 60.0523893783347 60.0523893783347 60.0523893783347 1 0 1 1459 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6376 M540T4177 M540.1T69.6 540.100036621094 540.100036621094 540.100036621094 69.6189121737951 69.6189121737951 69.6189121737951 1 1 0 115 1.86620259630389 -0.409118441183913 0.732408019997408
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6377 M540T3255 M540.1T54.3 540.100036621094 540.100036621094 540.100036621094 54.2513997954515 54.2513997954515 54.2513997954515 1 0 1 1929 7.55616205541415 1.12198871473761 0.455054101951364
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6378 M540T3846 M540.2T64.1 540.200012207031 540.200012207031 540.200012207031 64.0960268646872 64.0960268646872 64.0960268646872 1 0 1 [M-H+CF3COOH]- 427.212 21 1.60942174472658 0.355165640538469 0.76495941814663
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6379 M540T3523 M540.2T58.7 540.200012207031 540.200012207031 540.200012207031 58.7145324371275 58.7145324371275 58.7145324371275 1 1 0 366 6.25348152935502 -0.829549614416173 0.553614905204838
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6380 M540T3498 M540.3T58.3 540.299987792969 540.299987792969 540.299987792969 58.2970503672956 58.2970503672956 58.2970503672956 1 1 0 3388 1.32267808100465 -0.328566757273747 0.773792197442233
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6381 M540T3064 M540.3T51.1 540.299987792969 540.299987792969 540.299987792969 51.0616989193162 51.0616989193162 51.0616989193162 1 1 0 170 4.13494619245204 -0.870400533856962 0.530800479717121
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6382 M540T2812 M540.3T46.9 540.299987792969 540.299987792969 540.299987792969 46.8586465724875 46.8586465724875 46.8586465724875 1 1 0 [M+Cl]- 505.329 73 1.48134407134657 0.324554408782285 0.8000140756805
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6383 M540T4131 M540.4T68.8 540.400024414062 540.400024414062 540.400024414062 68.845930136966 68.8060999649748 68.8857603089572 2 2 0 [M-H-CH3]- 556.43 [M-H-CH2O]- 571.411 23 2.14532009527441 -11.9872249301524 0.0339277706129522
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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6384 M540T3913 M540.4T65.2 540.400024414062 540.400024414062 540.400024414062 65.2189319223871 65.2189319223871 65.2189319223871 1 1 0 5148 4.34700930659106 -0.91085540390791 0.512238388412764
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6385 M540T3708 M540.4T61.8 540.400024414062 540.400024414062 540.400024414062 61.7946158499894 61.7946158499894 61.7946158499894 1 1 0 1197 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6386 M540T3870 M540.4T64.5 540.400024414062 540.400024414062 540.400024414062 64.5007646161753 64.5007646161753 64.5007646161753 1 1 0 [M+HCOO]- 495.406 21 3.6057763386138 -1.03234000986611 0.450884587544211
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6387 M540T3507 M540.4T58.5 540.400024414062 540.400024414062 540.400024414062 58.452956891696 58.452956891696 58.452956891696 1 1 0 3389 9.68683437019419 -0.970717846012099 0.508764491222078
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6388 M540T3315 M540.4T55.2 540.400024414062 540.400024414062 540.400024414062 55.2480367227086 55.2480367227086 55.2480367227086 1 0 1 554 32.4220040798089 1.02960451151215 0.490423600904575
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6389 M540T4145 M540.5T69.1 540.5 540.5 540.5 69.0810296496783 68.9884877004979 69.1735715988587 2 1 1 5826 11.1561530506716 0.906727998863831 0.529184380829929
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6390 M540T4473 M540.5T74.6 540.5 540.5 540.5 74.5515537127173 74.5515537127173 74.5515537127173 1 1 0 264 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6391 M541T3741 M540.6T62.3 540.600036621094 540.600036621094 540.600036621094 62.3493828901302 62.3493828901302 62.3493828901302 1 0 1 1021 1.80173397820319 0.389070003379962 0.743672871347846
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6392 M541T4161 M540.6T69.4 540.600036621094 540.600036621094 540.600036621094 69.3555840219287 69.3555840219287 69.3555840219287 1 1 0 250 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6393 M541T2879 M540.6T48 540.600036621094 540.600036621094 540.600036621094 47.9815888070373 47.9815888070373 47.9815888070373 1 0 1 4747 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6394 M541T3721_1 M540.9T62_1 540.900024414062 540.900024414062 540.900024414062 62.0111035508212 62.0111035508212 62.0111035508212 1 0 1 78 2.06648283220644 -0.464551735299278 0.702626454119185
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6395 M541T3532 M540.9T58.9 540.900024414062 540.900024414062 540.900024414062 58.8733962348933 58.8733962348933 58.8733962348933 1 1 0 1975 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6396 M541T3923 M540.9T65.4 540.900024414062 540.900024414062 540.900024414062 65.3775611335403 65.3775611335403 65.3775611335403 1 1 0 3017 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6397 M541T2604 M540.9T43.4 540.900024414062 540.900024414062 540.900024414062 43.4069829099392 43.4069829099392 43.4069829099392 1 1 0 5249 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6398 M541T3720 M541T62 541 541 541 62.0057601073697 62.0057601073697 62.0057601073697 1 1 0 78 2.79670837475974 -0.641294649135914 0.636365127545901
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6399 M541T3009 M541T50.1 541 541 541 50.1453204709847 50.1453204709847 50.1453204709847 1 0 1 2089 2.14822208204398 0.48456997592818 0.692374266664232
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6400 M541T2776 M541T46.3 541 541 541 46.2691580523009 46.2691580523009 46.2691580523009 1 0 1 5126 3.69442620244079 1.02234173562209 0.457151708786938
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6401 M541T4167 M541T69.4 541 541 541 69.4436940588716 69.4436940588716 69.4436940588716 1 0 1 5932 Inf 1 0.5
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6402 M541T3705 M541.1T61.7 541.100036621094 541.100036621094 541.100036621094 61.7434911140765 61.7434911140765 61.7434911140765 1 1 0 1198 1.14787289463449 -0.102431361384386 0.928332866046471
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6403 M541T3945 M541.1T65.7 541.100036621094 541.100036621094 541.100036621094 65.7442474986021 65.7442474986021 65.7442474986021 1 0 1 91 9.69984727926986 0.892176893089512 0.533727666232383
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6404 M541T3498 M541.1T58.3 541.100036621094 541.100036621094 541.100036621094 58.3008264737162 58.3008264737162 58.3008264737162 1 0 1 3390 2.40561621165608 0.665505573316316 0.591618054897199
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6405 M541T3369 M541.1T56.1 541.100036621094 541.100036621094 541.100036621094 56.1497533356641 56.1497533356641 56.1497533356641 1 0 1 4647 Inf 1.3986039547996 0.395163538311814
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6406 M541T4171 M541.1T69.5 541.100036621094 541.100036621094 541.100036621094 69.5121396622068 69.5121396622068 69.5121396622068 1 1 0 5933 Inf -1 0.5
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6407 M541T3742 M541.1T62.4 541.100036621094 541.100036621094 541.100036621094 62.3721746432928 62.3721746432928 62.3721746432928 1 1 0 1023 5.33335041251416 -1.14391751308468 0.437487605841427
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6408 M541T2916 M541.2T48.6 541.200012207031 541.200012207031 541.200012207031 48.5994804250865 48.5994804250865 48.5994804250865 1 1 0 56 Inf -2.67696934118124 0.227594602781171
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6409 M541T4150 M541.2T69.2 541.200012207031 541.200012207031 541.200012207031 69.1735715988587 69.1735715988587 69.1735715988587 1 1 0 6046 3.75237173455785 -1.02420808666633 0.457749905200862
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6410 M541T3492 M541.3T58.2 541.299987792969 541.299987792969 541.299987792969 58.1941890144878 58.1941890144878 58.1941890144878 1 1 0 1809 1.19800253199853 0.237209607717438 0.851693104400252
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6411 M541T4133 M541.3T68.9 541.299987792969 541.299987792969 541.299987792969 68.8851037723597 68.8851037723597 68.8851037723597 1 0 1 [M-H-C2H2]- 568.313 23 1.33589186834148 -2.64331032725373 0.220551740709859
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6412 M541T3183 M541.3T53 541.299987792969 541.299987792969 541.299987792969 53.0494677501524 53.0494677501524 53.0494677501524 1 0 1 2204 5.72957200499475 3.84093254126187 0.0716518737946377
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6413 M541T3721_2 M541.4T62_2 541.400024414062 541.400024414062 541.400024414062 62.0111035508212 62.0111035508212 62.0111035508212 1 0 1 3455 3.21225879122856 1.56672384457328 0.257688366972916
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6414 M541T3308 M541.4T55.1 541.400024414062 541.400024414062 541.400024414062 55.1275803291405 55.1275803291405 55.1275803291405 1 0 1 555 2.17649285463754 0.491181819492181 0.689047154636986
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6415 M541T3417 M541.4T56.9 541.400024414062 541.400024414062 541.400024414062 56.9444770682723 56.9444770682723 56.9444770682723 1 0 1 888 Inf 1.93309776231653 0.303919165615438
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6416 M541T3349 M541.4T55.8 541.400024414062 541.400024414062 541.400024414062 55.823183133314 55.823183133314 55.823183133314 1 0 1 735 Inf 1 0.5
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6417 M542T3369 M541.8T56.2 541.799987792969 541.799987792969 541.799987792969 56.1571318926924 56.1571318926924 56.1571318926924 1 0 1 5764 Inf 1 0.5
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6418 M542T3229 M541.9T53.8 541.900024414062 541.900024414062 541.900024414062 53.8154815700677 53.8154815700677 53.8154815700677 1 0 1 2725 Inf 1 0.5
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6419 M542T2960 M541.9T49.3 541.900024414062 541.900024414062 541.900024414062 49.3250663083565 49.3250663083565 49.3250663083565 1 1 0 3277 10.871039704492 -0.904195021525499 0.529974105832248
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6420 M542T2992 M541.9T49.9 541.900024414062 541.900024414062 541.900024414062 49.8723761766172 49.8723761766172 49.8723761766172 1 1 0 1846 Inf -1 0.5
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6421 M542T3568 M542T59.5 542 542 542 59.4597381993077 59.456889751375 59.4625866472404 2 1 1 1680 1.27399267399271 -0.169174561391461 0.881994183334807
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6422 M542T3900 M542T65 542 542 542 64.9959186851761 64.9959186851761 64.9959186851761 1 1 0 4800 Inf -1 0.5
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6423 M542T3744 M542T62.4 542 542 542 62.3985051571993 62.3985051571993 62.3985051571993 1 1 0 1076 Inf -1 0.5
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6424 M542T3434 M542T57.2 542 542 542 57.2306623113142 57.2306623113142 57.2306623113142 1 1 0 4893 Inf -1.57677290681064 0.359812728658224
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6425 M542T3194 M542T53.2 542 542 542 53.2346956245849 53.2346956245849 53.2346956245849 1 0 1 [M-H+CF3COOH]- 429.025 [M+Cl]- 507.027 30 10.1087064258171 1.55316085588103 0.354010616698292
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6426 M542T3386 M542T56.4 542 542 542 56.4397902940844 56.4397902940844 56.4397902940844 1 1 0 1589 Inf -1 0.5
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6427 M542T3858 M542.1T64.3 542.100036621094 542.100036621094 542.100036621094 64.2965273024001 64.2965273024001 64.2965273024001 1 1 0 [130][M]- [M-H-H2O]- 561.11 21 1.3095079409684 -0.190082008885914 0.867719714425205
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6428 M542T3821 M542.1T63.7 542.100036621094 542.100036621094 542.100036621094 63.6773722568979 63.6773722568979 63.6773722568979 1 1 0 1865 9.69785469705602 -0.892153894360261 0.53373486147261
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6429 M542T3587 M542.1T59.8 542.100036621094 542.100036621094 542.100036621094 59.7840149298601 59.7840149298601 59.7840149298601 1 0 1 1705 1.44904321092173 0.336167653859416 0.778896636157316
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6430 M542T3777 M542.1T63 542.100036621094 542.100036621094 542.100036621094 62.955204852831 62.955204852831 62.955204852831 1 1 0 3681 7.1727230690957 -0.852339290442261 0.546295310171543
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6431 M542T3110 M542.3T51.8 542.299987792969 542.299987792969 542.299987792969 51.8351814475023 51.8351814475023 51.8351814475023 1 1 0 5351 5.70491210447362 -0.859209450785984 0.540509819076871
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6432 M542T3224 M542.3T53.7 542.299987792969 542.299987792969 542.299987792969 53.7349748512176 53.7349748512176 53.7349748512176 1 1 0 [M-H]- 543.306 113 Inf -1.4582884310151 0.38266457930203
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6433 M542T2705 M542.4T45.1 542.400024414062 542.400024414062 542.400024414062 45.082918480445 45.082918480445 45.082918480445 1 0 1 4875 5.02595387866672 0.78563292896503 0.568106997238541
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6434 M542T2736 M542.4T45.6 542.400024414062 542.400024414062 542.400024414062 45.6023451629537 45.6023451629537 45.6023451629537 1 0 1 4619 5.48423597800211 0.804396186661506 0.56184467233542
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6435 M542T3650 M542.4T60.8 542.400024414062 542.400024414062 542.400024414062 60.8292393476107 60.8292393476107 60.8292393476107 1 1 0 1519 6.13598188085191 -0.832761996185081 0.555654311852323
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6436 M542T3017 M542.4T50.3 542.400024414062 542.400024414062 542.400024414062 50.2914608754902 50.2914608754902 50.2914608754902 1 1 0 2156 Inf -1 0.5
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6437 M542T4146 M542.5T69.1 542.5 542.5 542.5 69.0919049656436 69.0919049656436 69.0919049656436 1 0 1 219 2.14289542518368 0.704197336896326 0.557908665075159
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6438 M543T3402 M542.6T56.7 542.600036621094 542.600036621094 542.600036621094 56.6959090926017 56.6959090926017 56.6959090926017 1 0 1 1332 Inf 1 0.5
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6439 M543T2635 M542.8T43.9 542.799987792969 542.799987792969 542.799987792969 43.9088090463909 43.9088090463909 43.9088090463909 1 0 1 2671 Inf 1 0.5
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6440 M543T2710 M542.8T45.2 542.799987792969 542.799987792969 542.799987792969 45.1708376810117 45.1708376810117 45.1708376810117 1 0 1 5879 Inf 1 0.5
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6441 M543T2905 M542.9T48.4 542.900024414062 542.900024414062 542.900024414062 48.4120109385693 48.4120109385693 48.4120109385693 1 0 1 3924 Inf 1.55767136301917 0.363331237307496
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6442 M543T3661 M542.9T61 542.900024414062 542.900024414062 542.900024414062 61.0201672128364 61.0201672128364 61.0201672128364 1 1 0 456 Inf -1 0.5
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6443 M543T2850 M542.9T47.5 542.900024414062 542.900024414062 542.900024414062 47.5041262223151 47.5041262223151 47.5041262223151 1 1 0 5772 3.75615991580193 -0.709071985075861 0.595047775611679
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6444 M543T3791 M542.9T63.2 542.900024414062 542.900024414062 542.900024414062 63.1807627943582 63.1807627943582 63.1807627943582 1 0 1 4462 Inf 1 0.5
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6445 M543T3858 M543T64.3 543 543 543 64.2931743010309 64.2931743010309 64.2931743010309 1 0 1 1417 Inf 1 0.5
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6446 M543T3781 M543T63 543 543 543 63.0135527630966 63.0135527630966 63.0135527630966 1 1 0 3682 Inf -1 0.5
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6447 M543T2577 M543T43 543 543 543 42.9541014146668 42.9541014146668 42.9541014146668 1 0 1 4078 3.18167631692452 1.03240793945947 0.476299700931823
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6448 M543T3934 M543.1T65.6 543.100036621094 543.100036621094 543.100036621094 65.5664247007199 65.5145053640489 65.6183440373909 2 1 0 2957 2.41950636434116 -0.615591360432559 0.632442186295523
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6449 M543T3847 M543.1T64.1 543.100036621094 543.100036621094 543.100036621094 64.109229956313 64.109229956313 64.109229956313 1 0 1 [130][M+1]- 1343 1.65007085031939 0.378977967134066 0.7559730851843
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6450 M543T4029 M543.2T67.2 543.200012207031 543.200012207031 543.200012207031 67.1522076340729 67.1522076340729 67.1522076340729 1 0 1 3784 1.94425682748692 1.00788236378875 0.419794886141842
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6451 M543T3943 M543.2T65.7 543.200012207031 543.200012207031 543.200012207031 65.7123885813693 65.7123885813693 65.7123885813693 1 0 1 4180 1.31636762198651 0.723424422076712 0.580924507459387
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6452 M543T3132 M543.3T52.2 543.299987792969 543.299987792969 543.299987792969 52.2017322730388 52.2017322730388 52.2017322730388 1 1 0 4987 Inf -1.14368373086759 0.457393299295858
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6453 M543T3637 M543.3T60.6 543.299987792969 543.299987792969 543.299987792969 60.6226503844596 60.6226503844596 60.6226503844596 1 0 1 2856 7.87216651925062 0.891056512052527 0.536600004365034
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6454 M543T3903 M543.3T65 543.299987792969 543.299987792969 543.299987792969 65.0478194774903 65.0478194774903 65.0478194774903 1 1 0 4798 5.64546186854877 -0.997172666407253 0.496646583593864
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6455 M543T2628 M543.3T43.8 543.299987792969 543.299987792969 543.299987792969 43.800633744761 43.800633744761 43.800633744761 1 1 0 2624 1.42760271176175 0.245325689265305 0.831409129281377
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6456 M543T3709 M543.4T61.8 543.400024414062 543.400024414062 543.400024414062 61.8242941639601 61.8242941639601 61.8242941639601 1 1 0 1199 Inf -1.50425072011397 0.37350307059779
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6457 M543T2810 M543.4T46.8 543.400024414062 543.400024414062 543.400024414062 46.8413595780299 46.8413595780299 46.8413595780299 1 0 1 3325 Inf 1 0.5
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6458 M544T2945 M543.5T49.1 543.5 543.5 543.5 49.077294936913 49.077294936913 49.077294936913 1 1 0 2818 Inf -1.30988053464447 0.415101579777943
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6459 M544T2977 M543.5T49.6 543.5 543.5 543.5 49.6116162859807 49.6116162859807 49.6116162859807 1 1 0 5285 Inf -1 0.5
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6460 M544T3997 M543.5T66.6 543.5 543.5 543.5 66.6217496555421 66.6217496555421 66.6217496555421 1 1 0 5445 Inf -1 0.5
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6461 M544T4103 M543.6T68.4 543.600036621094 543.600036621094 543.600036621094 68.3894766740669 68.3894766740669 68.3894766740669 1 1 0 6176 Inf -1 0.5
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6462 M544T2860 M543.7T47.7 543.700012207031 543.700012207031 543.700012207031 47.6598499993641 47.6598499993641 47.6598499993641 1 1 0 4251 Inf -1 0.5
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6463 M544T2805 M543.7T46.7 543.700012207031 543.700012207031 543.700012207031 46.7427561774611 46.7427561774611 46.7427561774611 1 0 1 5190 Inf 1 0.5
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6464 M544T2633_1 M543.8T43.9_1 543.799987792969 543.799987792969 543.799987792969 43.8823697168634 43.8823697168634 43.8823697168634 1 0 1 2672 7.07993074782683 0.8503156860759 0.546940723177298
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6465 M544T3710 M543.9T61.8 543.900024414062 543.900024414062 543.900024414062 61.8285264375613 61.8285264375613 61.8285264375613 1 0 1 [M-H]- 544.906 17 1.04997800423259 0.034467967747999 0.975641284542275
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6466 M544T2847 M543.9T47.4 543.900024414062 543.900024414062 543.900024414062 47.4440493646547 47.4440493646547 47.4440493646547 1 0 1 5530 Inf 2.12422357055322 0.280102128142985
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6467 M544T3923 M544T65.4 544 544 544 65.3848345588191 65.3848345588191 65.3848345588191 1 1 0 3018 18.7850868412063 -1.75637750304841 0.325885572228716
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6468 M544T2535 M544T42.2 544 544 544 42.2498680813335 42.2498680813335 42.2498680813335 1 0 1 210 6.67714608357361 1.20975037170274 0.426127460716823
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6469 M544T3832 M544T63.9 544 544 544 63.8649299348912 63.8649299348912 63.8649299348912 1 1 0 3340 4.60959673354047 -0.944476055303781 0.501470794726516
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6470 M544T3227 M544.1T53.8 544.100036621094 544.100036621094 544.100036621094 53.7853287128296 53.7025032953518 53.8681541303073 2 0 2 5507 2.20276035627755 1.20270641193317 0.441551580490779
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6471 M544T3802 M544.1T63.4 544.100036621094 544.100036621094 544.100036621094 63.3630157404382 63.3630157404382 63.3630157404382 1 0 1 2842 2.8715903725048 0.649865748396467 0.63211085465285
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6472 M544T3191 M544.2T53.2 544.200012207031 544.200012207031 544.200012207031 53.1899903700482 53.106902764706 53.2611429409617 4 2 2 [M-H]- 545.209 30 1.06100803032865 0.914538972729204 0.489202689153728
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6473 M544T3424 M544.2T57.1 544.200012207031 544.200012207031 544.200012207031 57.0709919131962 57.0709919131962 57.0709919131962 1 1 0 11 1.3106955322202 -0.660452253679109 0.57957598184524
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6474 M544T3309 M544.3T55.1 544.299987792969 544.299987792969 544.299987792969 55.1447368182792 55.1447368182792 55.1447368182792 1 1 0 556 3.4156132826948 -0.678735504982661 0.606463266215464
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6475 M544T3085 M544.3T51.4 544.299987792969 544.299987792969 544.299987792969 51.4209497918043 51.4209497918043 51.4209497918043 1 1 0 3531 Inf -1 0.5
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6476 M544T3809 M544.3T63.5 544.299987792969 544.299987792969 544.299987792969 63.4848268233574 63.4848268233574 63.4848268233574 1 1 0 3718 1.29156864917837 0.298617684749884 0.793824078319051
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6477 M544T3371 M544.3T56.2 544.299987792969 544.299987792969 544.299987792969 56.1831629572225 56.1831629572225 56.1831629572225 1 1 0 1590 Inf -1 0.5
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6478 M544T3791 M544.4T63.2 544.400024414062 544.400024414062 544.400024414062 63.1807627943582 63.1807627943582 63.1807627943582 1 0 1 [M-H-CH4]- 561.433 [M-H-CO]- 573.406 [M-H-C2N2]- 597.409 117 5.24688583479013 0.795098875738165 0.564933447326256
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6479 M544T2633_2 M544.5T43.9_2 544.5 544.5 544.5 43.8823697168634 43.8823697168634 43.8823697168634 1 0 1 2673 Inf 1.75134075440896 0.330288697557849
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6480 M544T2761 M544.5T46 544.5 544.5 544.5 46.0132852461969 46.0132852461969 46.0132852461969 1 0 1 5497 Inf 1.22285245003795 0.436388131381194
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6481 M545T2748 M544.6T45.8 544.600036621094 544.600036621094 544.600036621094 45.8081693988543 45.8081693988543 45.8081693988543 1 0 1 4362 Inf 1 0.5
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6482 M545T2533 M544.8T42.2 544.799987792969 544.799987792969 544.799987792969 42.2237847480001 42.2237847480001 42.2237847480001 1 0 1 5896 Inf 1 0.5
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6483 M545T2613 M544.8T43.6 544.799987792969 544.799987792969 544.799987792969 43.5540014146668 43.5540014146668 43.5540014146668 1 0 1 5804 Inf 1 0.5
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6484 M545T2981 M544.8T49.7 544.799987792969 544.799987792969 544.799987792969 49.6793912357083 49.6793912357083 49.6793912357083 1 0 1 5286 Inf 1 0.5
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6485 M545T2882 M544.9T48 544.900024414062 544.900024414062 544.900024414062 48.0254466269442 48.0254466269442 48.0254466269442 1 1 0 4748 1.58995024325571 -0.529645347133249 0.665821394114976
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6486 M545T3840 M544.9T64 544.900024414062 544.900024414062 544.900024414062 64.0041248466944 64.0041248466944 64.0041248466944 1 0 1 3170 Inf 1 0.5
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6487 M545T2931 M544.9T48.8 544.900024414062 544.900024414062 544.900024414062 48.8458398001822 48.8458398001822 48.8458398001822 1 1 0 3631 Inf -1 0.5
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6488 M545T3858 M545T64.3 545 545 545 64.2965273024001 64.2965273024001 64.2965273024001 1 1 0 1418 Inf -1 0.5
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6489 M545T3767 M545T62.8 545 545 545 62.7909444986401 62.7909444986401 62.7909444986401 1 0 1 943 1.55789746075402 0.301366179847234 0.795845933324575
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6490 M545T3535 M545T58.9 545 545 545 58.9086888375764 58.9086888375764 58.9086888375764 1 0 1 1976 Inf 1 0.5
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6491 M545T4138 M545T69 545 545 545 68.9703791674612 68.9703791674612 68.9703791674612 1 0 1 3996 Inf 36.4772393559708 0.0174481504708446
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6492 M545T2851 M545T47.5 545 545 545 47.5200375820765 47.5200375820765 47.5200375820765 1 1 0 6074 1.93924602139346 -2.03206255144717 0.243313378391925
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6493 M545T3191 M545.2T53.2 545.200012207031 545.200012207031 545.200012207031 53.1773986396964 53.106902764706 53.2611429409617 4 2 2 [M+Cl]- 510.225 40 1.02979827156149 0.41907224778338 0.719136911659333
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6494 M545T2840 M545.2T47.3 545.200012207031 545.200012207031 545.200012207031 47.3391704894125 47.3391704894125 47.3391704894125 1 0 1 4642 1.56126398928256 0.553001198612204 0.674147989034928
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lecorguille
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6495 M545T3408 M545.3T56.8 545.299987792969 545.299987792969 545.299987792969 56.798835200874 56.798835200874 56.798835200874 1 0 1 2555 Inf 1 0.5
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6496 M545T2824 M545.3T47.1 545.299987792969 545.299987792969 545.299987792969 47.0648189611429 47.0648189611429 47.0648189611429 1 1 0 3307 1.25581920593384 -0.159356226789276 0.888672527276561
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6497 M545T3720 M545.4T62 545.400024414062 545.400024414062 545.400024414062 62.0057601073697 62.0057601073697 62.0057601073697 1 1 0 3456 2.99068703156038 -0.631273948613852 0.625315059820243
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6498 M545T3749 M545.4T62.5 545.400024414062 545.400024414062 545.400024414062 62.4776089558367 62.4776089558367 62.4776089558367 1 1 0 1077 8.06357608731742 -1.27638961844575 0.412865282958355
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6499 M545T3546 M545.4T59.1 545.400024414062 545.400024414062 545.400024414062 59.1072147389838 59.1072147389838 59.1072147389838 1 0 1 2356 Inf 1 0.5
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6500 M546T2668 M545.5T44.5 545.5 545.5 545.5 44.4659690298216 44.4659690298216 44.4659690298216 1 0 1 4059 Inf 2.64435750551202 0.230164422834152
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6501 M546T2767_1 M545.5T46.1_1 545.5 545.5 545.5 46.1156802005202 46.1156802005202 46.1156802005202 1 0 1 [M-H]- 546.506 94 Inf 1.40764081554907 0.393225665023939
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6502 M546T2767_2 M545.9T46.1_2 545.900024414062 545.900024414062 545.900024414062 46.1142656331106 46.1142656331106 46.1142656331106 1 1 0 3812 4.61611185116984 -1.04819149693079 0.462840678713373
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6503 M546T3170 M545.9T52.8 545.900024414062 545.900024414062 545.900024414062 52.8376230496383 52.8376230496383 52.8376230496383 1 0 1 [M+Cl]- 510.927 8 Inf 1 0.5
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6504 M546T2655 M545.9T44.3 545.900024414062 545.900024414062 545.900024414062 44.2529407694737 44.2529407694737 44.2529407694737 1 0 1 5849 4.04509372666294 0.730787302126301 0.587152250332868
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6505 M546T2694 M546T44.9 546 546 546 44.89885670651 44.89885670651 44.89885670651 1 0 1 5707 4.0230387942488 1.07867852413268 0.442448660758745
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6506 M546T2848 M546T47.5 546 546 546 47.4675587098144 47.4675587098144 47.4675587098144 1 1 0 5635 9.88971284859694 -0.894324545103859 0.533055989662595
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6507 M546T3596 M546T59.9 546 546 546 59.9412324658424 59.9412324658424 59.9412324658424 1 1 0 22 Inf -1 0.5
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6508 M546T2789 M546T46.5 546 546 546 46.4843534177973 46.4843534177973 46.4843534177973 1 1 0 926 Inf -1 0.5
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6509 M546T3703 M546.1T61.7 546.100036621094 546.100036621094 546.100036621094 61.7204008509936 61.7204008509936 61.7204008509936 1 1 0 1200 Inf -1 0.5
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6510 M546T3817 M546.1T63.6 546.100036621094 546.100036621094 546.100036621094 63.623963404567 63.623963404567 63.623963404567 1 0 1 2399 5.43992946619976 0.866272802651282 0.536810022187171
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6511 M546T3341 M546.1T55.7 546.100036621094 546.100036621094 546.100036621094 55.6912268812925 55.6912268812925 55.6912268812925 1 1 0 5512 Inf -1 0.5
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6512 M546T3193 M546.1T53.2 546.100036621094 546.100036621094 546.100036621094 53.2112368992992 53.2112368992992 53.2112368992992 1 1 0 1762 Inf -1 0.5
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6513 M546T4182 M546.1T69.7 546.100036621094 546.100036621094 546.100036621094 69.6974427116147 69.6974427116147 69.6974427116147 1 1 0 6022 Inf -1 0.5
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6514 M546T3677 M546.2T61.3 546.200012207031 546.200012207031 546.200012207031 61.2912248224963 61.2516813084134 61.3307683365792 2 1 1 3700 1.04763258709715 -0.0491549276807863 0.967862263687671
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6515 M546T3196 M546.2T53.3 546.200012207031 546.200012207031 546.200012207031 53.2672162474893 53.2335336651218 53.3008988298567 2 1 1 30 1.1861030946307 1.30348615477249 0.325466673227871
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6516 M546T3012 M546.2T50.2 546.200012207031 546.200012207031 546.200012207031 50.2012950184499 50.1650871379422 50.2375028989575 2 1 1 37 2.36776194551961 0.614143586643467 0.643559957946555
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6517 M546T3661 M546.2T61 546.200012207031 546.200012207031 546.200012207031 61.0095676641139 61.0095676641139 61.0095676641139 1 1 0 [M+Cl]- 511.233 [M-H]- 547.206 2 1.61270014091004 -0.661561888331229 0.62324534796083
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6518 M546T2908 M546.2T48.5 546.200012207031 546.200012207031 546.200012207031 48.4711114394429 48.4711114394429 48.4711114394429 1 1 0 56 1.84326195212898 -0.454010424232792 0.722900628357006
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6519 M546T4124 M546.2T68.7 546.200012207031 546.200012207031 546.200012207031 68.7299484690851 68.7299484690851 68.7299484690851 1 0 1 1735 Inf 1 0.5
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6520 M546T4140 M546.3T69 546.299987792969 546.299987792969 546.299987792969 68.993493164867 68.9640534798681 69.0229328498659 2 1 1 4202 1.02888429538197 -0.32954510494094 0.779485403121618
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6521 M546T3053 M546.3T50.9 546.299987792969 546.299987792969 546.299987792969 50.8899444421895 50.8899444421895 50.8899444421895 1 1 0 3498 Inf -1 0.5
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6522 M546T3373 M546.3T56.2 546.299987792969 546.299987792969 546.299987792969 56.2084220817844 56.2084220817844 56.2084220817844 1 0 1 1591 3.7967482368943 0.712323746073531 0.593851349327498
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6523 M546T3632 M546.3T60.5 546.299987792969 546.299987792969 546.299987792969 60.5389149307692 60.5389149307692 60.5389149307692 1 0 1 2370 Inf 1 0.5
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6524 M546T2626 M546.3T43.8 546.299987792969 546.299987792969 546.299987792969 43.7740538815564 43.7740538815564 43.7740538815564 1 1 0 2674 1.0066305212093 0.00595093147067238 0.995962072558974
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6525 M546T4142 M546.4T69 546.400024414062 546.400024414062 546.400024414062 69.0401974996345 68.9440961100042 69.0423810881725 3 1 2 110 1.15605883588516 0.311446400835688 0.792974252375548
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6526 M546T2917 M546.4T48.6 546.400024414062 546.400024414062 546.400024414062 48.6197414605152 48.6197414605152 48.6197414605152 1 0 1 56 1.97320946295182 -0.460930509650345 0.701756474785834
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6527 M546T2948 M546.4T49.1 546.400024414062 546.400024414062 546.400024414062 49.1376200421364 49.1376200421364 49.1376200421364 1 0 1 3201 4.04914635383889 -0.778072448338268 0.565769295708568
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6528 M546T3926 M546.4T65.4 546.400024414062 546.400024414062 546.400024414062 65.4366903693912 65.4366903693912 65.4366903693912 1 1 0 3019 Inf -1.45512888788269 0.38330885491849
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6529 M546T2764 M546.5T46.1 546.5 546.5 546.5 46.0727166645049 46.0727166645049 46.0727166645049 1 0 1 3813 Inf 11.6071202452441 0.0547122481980229
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6530 M546T2821 M546.5T47 546.5 546.5 546.5 47.0246753525252 47.0246753525252 47.0246753525252 1 0 1 3322 7.68047413314417 0.862519661044791 0.543060147077318
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6532 M547T4176 M546.6T69.6 546.600036621094 546.600036621094 546.600036621094 69.5927325930257 69.5927325930257 69.5927325930257 1 1 0 4418 Inf -1 0.5
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6533 M547T2601 M546.7T43.3 546.700012207031 546.700012207031 546.700012207031 43.3453347480001 43.3453347480001 43.3453347480001 1 0 1 2906 Inf 1 0.5
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6534 M547T2551 M546.7T42.5 546.700012207031 546.700012207031 546.700012207031 42.5107014146668 42.5107014146668 42.5107014146668 1 0 1 5168 Inf 1 0.5
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6535 M547T2882 M546.9T48 546.900024414062 546.900024414062 546.900024414062 48.0254466269442 48.0254466269442 48.0254466269442 1 1 0 131 4.42925089292107 -1.03580022486043 0.465051550661673
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6536 M547T2745 M546.9T45.7 546.900024414062 546.900024414062 546.900024414062 45.7494793114797 45.7494793114797 45.7494793114797 1 1 0 4606 1.27839663650041 -0.263493053877487 0.829425240344081
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6537 M547T2930 M546.9T48.8 546.900024414062 546.900024414062 546.900024414062 48.8327454465577 48.8327454465577 48.8327454465577 1 0 1 3632 19.4689167105239 1.24822956910339 0.428567898052739
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6538 M547T4169 M547T69.5 547 547 547 69.4869318420777 69.4356339808898 69.5382297032655 2 2 0 5934 Inf -8.75925925925485 0.0723663225664746
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6539 M547T3132 M547T52.2 547 547 547 52.2018206940751 52.2018206940751 52.2018206940751 1 0 1 144 1.79733731283088 -0.67760520549329 0.579597831336702
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6540 M547T3692 M547.1T61.5 547.100036621094 547.100036621094 547.100036621094 61.5377582431736 61.5377582431736 61.5377582431736 1 1 0 611 Inf -1 0.5
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6541 M547T3669 M547.1T61.1 547.100036621094 547.100036621094 547.100036621094 61.1467514117221 61.1467514117221 61.1467514117221 1 0 1 [M-H-CH2]- 562.128 2 1.64012115816288 0.33323388124131 0.77636533400145
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6542 M547T3712 M547.1T61.9 547.100036621094 547.100036621094 547.100036621094 61.870109312818 61.870109312818 61.870109312818 1 0 1 1201 2.92467873461727 0.622689308971032 0.628863264102528
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6543 M547T3733 M547.1T62.2 547.100036621094 547.100036621094 547.100036621094 62.2193758027016 62.2193758027016 62.2193758027016 1 0 1 3581 Inf 1 0.5
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6544 M547T2980 M547.1T49.7 547.100036621094 547.100036621094 547.100036621094 49.6637401677513 49.6637401677513 49.6637401677513 1 1 0 5287 6.40795184273628 -1.28682692927436 0.402966447827485
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6545 M547T4159 M547.1T69.3 547.100036621094 547.100036621094 547.100036621094 69.3121740153255 69.3121740153255 69.3121740153255 1 0 1 6038 Inf 1 0.5
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6546 M547T3800 M547.1T63.3 547.100036621094 547.100036621094 547.100036621094 63.3291788497538 63.3291788497538 63.3291788497538 1 1 0 2828 3.1345025125891 -0.87365258385018 0.507236586254429
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6547 M547T2566 M547.1T42.8 547.100036621094 547.100036621094 547.100036621094 42.7715180813334 42.7715180813334 42.7715180813334 1 0 1 5866 6.26559057145858 1.17801832115537 0.433374736335658
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6548 M547T3681 M547.2T61.4 547.200012207031 547.200012207031 547.200012207031 61.3570085782962 61.3570085782962 61.3570085782962 1 0 1 [M+Cl]- 512.225 5 1.16590112516476 0.14731718608208 0.900629414990493
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6549 M547T3506 M547.2T58.4 547.200012207031 547.200012207031 547.200012207031 58.4270605014527 58.4270605014527 58.4270605014527 1 1 0 [M-H]- 548.212 76 5.36981323054466 -1.40345217286215 0.382611587312695
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6550 M547T4180 M547.2T69.7 547.200012207031 547.200012207031 547.200012207031 69.6686714714612 69.6686714714612 69.6686714714612 1 1 0 6023 1.62467784798982 -0.67640008092312 0.615496899873561
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6551 M547T2887 M547.2T48.1 547.200012207031 547.200012207031 547.200012207031 48.1162959745194 48.1162959745194 48.1162959745194 1 0 1 5664 1.8002781531586 0.420885289356662 0.73562186476169
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6552 M547T3004 M547.2T50.1 547.200012207031 547.200012207031 547.200012207031 50.0595953435342 50.0595953435342 50.0595953435342 1 0 1 [M-H]- 548.21 105 3.30876613774824 0.769396833314571 0.579887295996545
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6553 M547T3015 M547.3T50.3 547.299987792969 547.299987792969 547.299987792969 50.2539582402106 50.2375028989575 50.2704135814637 2 1 1 37 2.36222361196734 0.586570472457247 0.658345046157945
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6554 M547T2860 M547.3T47.7 547.299987792969 547.299987792969 547.299987792969 47.658911920683 47.658911920683 47.658911920683 1 0 1 4268 1.17753534076842 0.137405692617022 0.903729735294716
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6555 M547T3439 M547.3T57.3 547.299987792969 547.299987792969 547.299987792969 57.3103849225685 57.3103849225685 57.3103849225685 1 1 0 4894 1.4216345978823 0.42036300124637 0.746004087012436
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6556 M547T4139 M547.4T69 547.400024414062 547.400024414062 547.400024414062 68.9884877004979 68.9374216510452 68.9901597969697 3 2 1 3954 1.09652760021363 0.137094494579755 0.904830542097122
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6557 M547T3932 M547.4T65.5 547.400024414062 547.400024414062 547.400024414062 65.5352104594427 65.5352104594427 65.5352104594427 1 0 1 2941 1.00836557161757 -0.00813607493492108 0.994715297639507
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6558 M547T2848 M547.4T47.5 547.400024414062 547.400024414062 547.400024414062 47.4718190298723 47.4718190298723 47.4718190298723 1 0 1 5636 Inf 1.75415395533561 0.329848892622868
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6559 M547T3448 M547.4T57.5 547.400024414062 547.400024414062 547.400024414062 57.4598633133233 57.4598633133233 57.4598633133233 1 1 0 2935 Inf -1 0.5
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6560 M548T4147 M547.5T69.1 547.5 547.5 547.5 69.1211191909261 69.1211191909261 69.1211191909261 1 1 0 5620 7.50249152245944 -2.33433920742436 0.210260398930458
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6561 M548T2730 M547.5T45.5 547.5 547.5 547.5 45.4940257320348 45.4940257320348 45.4940257320348 1 0 1 2523 4.81456946281083 1.19513468693247 0.415180766900397
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6562 M548T2600 M547.7T43.3 547.700012207031 547.700012207031 547.700012207031 43.3287329099392 43.3287329099392 43.3287329099392 1 1 0 2879 Inf -1 0.5
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6563 M548T2659 M547.7T44.3 547.700012207031 547.700012207031 547.700012207031 44.3145983176532 44.3145983176532 44.3145983176532 1 1 0 4060 Inf -1 0.5
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6564 M548T3064 M547.9T51.1 547.900024414062 547.900024414062 547.900024414062 51.0616989193162 51.0616989193162 51.0616989193162 1 1 0 5409 Inf -1 0.5
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6565 M548T2682 M547.9T44.7 547.900024414062 547.900024414062 547.900024414062 44.70757669099 44.70757669099 44.70757669099 1 0 1 6 2.78639112510725 1.10933051158264 0.387910664434983
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6566 M548T4180_1 M548T69.7_1 548 548 548 69.6597049874586 69.6597049874586 69.6597049874586 1 0 1 4419 Inf 1 0.5
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6567 M548T3462 M548.1T57.7 548.100036621094 548.100036621094 548.100036621094 57.6989358978299 57.6989358978299 57.6989358978299 1 1 0 1293 Inf -1 0.5
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6568 M548T4111 M548.1T68.5 548.100036621094 548.100036621094 548.100036621094 68.5174902467128 68.5174902467128 68.5174902467128 1 1 0 2315 Inf -1 0.5
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6569 M548T4180_2 M548.1T69.7_2 548.100036621094 548.100036621094 548.100036621094 69.6686714714612 69.6686714714612 69.6686714714612 1 1 0 6024 7.01689896115391 -0.848909566488017 0.54738967765593
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6570 M548T3414 M548.1T56.9 548.100036621094 548.100036621094 548.100036621094 56.8917349501817 56.8917349501817 56.8917349501817 1 0 1 11 4.05752279915519 2.47514386865944 0.229521634834873
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6571 M548T3047 M548.1T50.8 548.100036621094 548.100036621094 548.100036621094 50.7795980546724 50.7795980546724 50.7795980546724 1 1 0 [M-H-CO2]- 593.105 [M-H-N2O]- 593.105 81 1.03171664821037 0.0795612623435099 0.945029803783494
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6572 M548T3186 M548.1T53.1 548.100036621094 548.100036621094 548.100036621094 53.099351150571 53.099351150571 53.099351150571 1 1 0 40 1.04274109548157 -7.05103853162668 0.0203768354146274
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6573 M548T3826 M548.2T63.8 548.200012207031 548.200012207031 548.200012207031 63.7675648069988 63.7675648069988 63.7675648069988 1 0 1 1894 1.65735772931071 0.538747630889033 0.649502323057347
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6574 M548T3057 M548.3T50.9 548.299987792969 548.299987792969 548.299987792969 50.9465657149006 50.9465657149006 50.9465657149006 1 0 1 3499 3.81940171465441 0.714108391821776 0.593196875454094
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6575 M548T3506 M548.3T58.4 548.299987792969 548.299987792969 548.299987792969 58.436859117781 58.436859117781 58.436859117781 1 1 0 [M-H]- 549.312 76 2.42327856516762 -0.697612199525608 0.573928672741257
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6576 M548T3401 M548.3T56.7 548.299987792969 548.299987792969 548.299987792969 56.6765408961091 56.6765408961091 56.6765408961091 1 1 0 1333 4.67089673153471 -1.72583651137104 0.263622365529279
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6577 M548T4227 M548.3T70.5 548.299987792969 548.299987792969 548.299987792969 70.4512620842117 70.4512620842117 70.4512620842117 1 1 0 [M-H-HF]- 569.309 171 8.01469333947274 -0.911000945626498 0.525536896592228
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6578 M548T4226 M548.4T70.4 548.400024414062 548.400024414062 548.400024414062 70.4303891917813 70.4171804896116 70.4587200129397 3 1 2 [131][M]- [M-H-H2O]- 567.41 171 2.39838414314714 4.54411599187794 0.122140370341684
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6579 M548T3068 M548.4T51.1 548.400024414062 548.400024414062 548.400024414062 51.1386255195752 51.1386255195752 51.1386255195752 1 1 0 2439 Inf -1 0.5
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6580 M548T3756 M548.4T62.6 548.400024414062 548.400024414062 548.400024414062 62.6062922505441 62.6062922505441 62.6062922505441 1 0 1 [132][M]- [M+Cl]- 513.431 [M-H]- 549.409 13 1.42870470198918 0.247568160309842 0.829799619050621
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6581 M548T3771 M548.4T62.9 548.400024414062 548.400024414062 548.400024414062 62.856667837333 62.856667837333 62.856667837333 1 1 0 [M+Cl]- 513.431 [M-H]- 549.409 13 1.44967782492954 -0.257060217335451 0.824074612870536
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6582 M548T2945 M548.4T49.1 548.400024414062 548.400024414062 548.400024414062 49.0854746236027 49.0854746236027 49.0854746236027 1 0 1 3202 Inf 1 0.5
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6583 M548T3942 M548.4T65.7 548.400024414062 548.400024414062 548.400024414062 65.6919835399717 65.6919835399717 65.6919835399717 1 0 1 4128 2.03117724782789 0.467940574780099 0.700621098731419
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6584 M548T2562 M548.4T42.7 548.400024414062 548.400024414062 548.400024414062 42.6932680813334 42.6932680813334 42.6932680813334 1 0 1 3062 Inf 1 0.5
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6585 M548T4149 M548.5T69.2 548.5 548.5 548.5 69.1577787787158 69.0686510330055 69.2469065244261 2 1 1 6047 1.29174797006948 -0.241008813539259 0.834486023102138
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6586 M548T2937 M548.5T49 548.5 548.5 548.5 48.9554017616016 48.9554017616016 48.9554017616016 1 0 1 2819 Inf 1 0.5
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6587 M548T2972 M548.5T49.5 548.5 548.5 548.5 49.5334252292089 49.5334252292089 49.5334252292089 1 1 0 3278 Inf -1 0.5
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6588 M548T2587 M548.5T43.1 548.5 548.5 548.5 43.1200662432725 43.1200662432725 43.1200662432725 1 1 0 2907 Inf -2.37163093322754 0.254030642094195
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6589 M549T3515 M548.6T58.6 548.600036621094 548.600036621094 548.600036621094 58.5831744152706 58.5831744152706 58.5831744152706 1 1 0 427 Inf -1 0.5
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6590 M549T2737 M548.7T45.6 548.700012207031 548.700012207031 548.700012207031 45.6200799184472 45.6200799184472 45.6200799184472 1 1 0 4440 Inf -1 0.5
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6592 M549T2913 M548.9T48.5 548.900024414062 548.900024414062 548.900024414062 48.5457226423973 48.5457226423973 48.5457226423973 1 0 1 [M+Cl]- 513.926 56 1.9457189721714 -0.676108114703759 0.616745067698403
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6593 M549T2657 M548.9T44.3 548.900024414062 548.900024414062 548.900024414062 44.2879648525883 44.2879648525883 44.2879648525883 1 1 0 4061 3.52914470308955 -0.689499647660462 0.602359059013599
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6594 M549T2749 M548.9T45.8 548.900024414062 548.900024414062 548.900024414062 45.8165418949376 45.8165418949376 45.8165418949376 1 1 0 4363 Inf -1.14997521430458 0.455663315211414
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6595 M549T2813 M548.9T46.9 548.900024414062 548.900024414062 548.900024414062 46.8826807513566 46.8826807513566 46.8826807513566 1 1 0 3308 3.43327436590335 -1.6968115404422 0.312438982282214
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6596 M549T3005 M549T50.1 549 549 549 50.0853221794258 50.0853221794258 50.0853221794258 1 1 0 4093 Inf -30.7967386890004 0.0206644014242761
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6597 M549T3510 M549T58.5 549 549 549 58.5049043819478 58.5049043819478 58.5049043819478 1 1 0 119 Inf -1.11640283823211 0.465020949881748
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6598 M549T3501 M549.1T58.4 549.100036621094 549.100036621094 549.100036621094 58.3580034249702 58.3580034249702 58.3580034249702 1 1 0 3391 1.25451268769581 -0.268370254083603 0.828690095258575
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6599 M549T4152 M549.1T69.2 549.100036621094 549.100036621094 549.100036621094 69.2069770851045 69.2069770851045 69.2069770851045 1 0 1 6048 Inf 3.212954920137 0.192091441840065
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6600 M549T3030 M549.1T50.5 549.100036621094 549.100036621094 549.100036621094 50.4971820183579 50.4971820183579 50.4971820183579 1 1 0 2130 3.50864086331003 -0.830465884100848 0.54344853076065
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6601 M549T2725 M549.2T45.4 549.200012207031 549.200012207031 549.200012207031 45.4214590396891 45.4214590396891 45.4214590396891 1 0 1 2524 1.05044890406678 -0.0432511145161086 0.970177755942843
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6602 M549T4230 M549.3T70.5 549.299987792969 549.299987792969 549.299987792969 70.4939762168466 70.4773566931594 70.5105957405337 2 1 1 [M-H]- 550.31 171 1.41532421936161 -0.370401745204346 0.749413386851503
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6603 M549T4048 M549.3T67.5 549.299987792969 549.299987792969 549.299987792969 67.4701529175865 67.4467895790106 67.4935162561624 2 1 1 [133][M]- [M-H-C2H2]- 576.311 106 1.85618825299683 0.418531273941969 0.726948936833535
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6604 M549T4089 M549.3T68.2 549.299987792969 549.299987792969 549.299987792969 68.1542769430593 68.1542769430593 68.1542769430593 1 1 0 4960 1.68214756614295 -0.956012406117055 0.469956630521839
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6605 M549T4128 M549.3T68.8 549.299987792969 549.299987792969 549.299987792969 68.8074238019644 68.8074238019644 68.8074238019644 1 1 0 [134][M]- [M-H]- 550.31 [M-H-H2O]- 568.313 23 1.04320898570402 0.0689123984339516 0.951544220291827
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6606 M549T3629 M549.3T60.5 549.299987792969 549.299987792969 549.299987792969 60.4822405703266 60.4822405703266 60.4822405703266 1 1 0 [M-H]- 550.309 26 3.58082390035429 -1.50681897076609 0.28271651327414
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6607 M549T3561 M549.3T59.4 549.299987792969 549.299987792969 549.299987792969 59.3517616027253 59.3517616027253 59.3517616027253 1 0 1 1643 Inf 1 0.5
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6608 M549T3727 M549.3T62.1 549.299987792969 549.299987792969 549.299987792969 62.1152861364611 62.1152861364611 62.1152861364611 1 0 1 3582 1.64377926955094 -0.682058662463534 0.572600927198894
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6609 M549T3406 M549.3T56.8 549.299987792969 549.299987792969 549.299987792969 56.7596900619163 56.7596900619163 56.7596900619163 1 0 1 1302 2.84604189204301 0.670344629277309 0.601904785545108
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6610 M549T2518 M549.3T42 549.299987792969 549.299987792969 549.299987792969 41.9724329099392 41.9724329099392 41.9724329099392 1 1 0 5060 Inf -1.49705317165263 0.374912103210601
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6611 M549T3720 M549.4T62 549.400024414062 549.400024414062 549.400024414062 61.9954007591572 61.9850414109447 62.0057601073697 2 1 1 78 2.29449143370502 -0.599066556338822 0.640502982786012
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6612 M549T3124 M549.4T52.1 549.400024414062 549.400024414062 549.400024414062 52.0653281782806 52.0653281782806 52.0653281782806 1 1 0 149 Inf -1 0.5
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6613 M549T3756 M549.4T62.6 549.400024414062 549.400024414062 549.400024414062 62.6062922505441 62.6062922505441 62.6062922505441 1 0 1 [132][M+1]- 1008 1.38268910420325 0.240904768075557 0.833653327883934
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6614 M549T2891 M549.4T48.2 549.400024414062 549.400024414062 549.400024414062 48.1833795870331 48.1833795870331 48.1833795870331 1 1 0 95 2.73836063024624 -0.732472915271787 0.590717172943196
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6615 M549T2682 M549.4T44.7 549.400024414062 549.400024414062 549.400024414062 44.70757669099 44.70757669099 44.70757669099 1 0 1 672 4.33821777877969 0.749827524114448 0.580403415990165
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6616 M549T4228 M549.4T70.5 549.400024414062 549.400024414062 549.400024414062 70.4695691816509 70.4695691816509 70.4695691816509 1 0 1 [131][M+1]- 171 2.98188276484827 1.04410034452173 0.482918530496115
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6617 M549T4143 M549.4T69 549.400024414062 549.400024414062 549.400024414062 69.0423810881725 69.0423810881725 69.0423810881725 1 1 0 4244 1.33697240234905 0.235080278068585 0.836481928971489
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6618 M550T4242 M549.5T70.7 549.5 549.5 549.5 70.6931790738671 70.6931790738671 70.6931790738671 1 0 1 265 4.69901854995871 0.778580307686451 0.574307036807196
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6619 M550T4218 M549.5T70.3 549.5 549.5 549.5 70.3040101363921 70.3040101363921 70.3040101363921 1 0 1 164 5.29044898689013 0.796869574950136 0.564343076197625
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6620 M550T4196 M549.5T69.9 549.5 549.5 549.5 69.93299106529 69.93299106529 69.93299106529 1 1 0 6171 1.92240325290196 -1.78106766569402 0.295373850047739
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6621 M550T4247 M549.6T70.8 549.600036621094 549.600036621094 549.600036621094 70.7903566931594 70.7903566931594 70.7903566931594 1 1 0 342 2.2514419063388 -0.507986837506606 0.680722890719863
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6622 M550T3419 M549.9T57 549.900024414062 549.900024414062 549.900024414062 56.9912551293289 56.9912551293289 56.9912551293289 1 1 0 11 Inf -1 0.5
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6623 M550T3504 M550T58.4 550 550 550 58.4010105242278 58.4010105242278 58.4010105242278 1 1 0 3392 Inf -1 0.5
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6624 M550T3725 M550T62.1 550 550 550 62.0892498595149 62.0892498595149 62.0892498595149 1 0 1 4685 15.2590947916463 0.932465085130049 0.521174581849929
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6625 M550T3074 M550T51.2 550 550 550 51.2322779954189 51.2322779954189 51.2322779954189 1 0 1 2440 1.24980202511949 -0.156065159193566 0.890917928280949
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6626 M550T3412 M550T56.9 550 550 550 56.8653470556536 56.8653470556536 56.8653470556536 1 0 1 889 1.82030497198726 0.439861495556905 0.730853358990335
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6627 M550T4246 M550.2T70.8 550.200012207031 550.200012207031 550.200012207031 70.7642733598261 70.7642733598261 70.7642733598261 1 1 0 6231 9.04938271604903 -0.884113514664566 0.536253729625799
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6628 M550T3647 M550.2T60.8 550.200012207031 550.200012207031 550.200012207031 60.7774621763444 60.7774621763444 60.7774621763444 1 1 0 [135][M]- 24 1.60670166885312 -2.9844036793963 0.101618388222281
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6629 M550T3585 M550.2T59.8 550.200012207031 550.200012207031 550.200012207031 59.7582451026669 59.7582451026669 59.7582451026669 1 0 1 28 1.23613084496292 -7.49172264957673 0.0177232643297063
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6630 M550T3667 M550.2T61.1 550.200012207031 550.200012207031 550.200012207031 61.1204224959539 61.1204224959539 61.1204224959539 1 0 1 [136][M]- 2 1.40451543665967 -0.964251152050078 0.465939362745896
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6631 M550T4048 M550.3T67.5 550.299987792969 550.299987792969 550.299987792969 67.4730606077411 67.4730606077411 67.4730606077411 2 0 1 [133][M+1]- 106 1.53950802152364 0.318259895906935 0.787770200784651
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6632 M550T4473 M550.3T74.6 550.299987792969 550.299987792969 550.299987792969 74.5515537127173 74.5515537127173 74.5515537127173 1 1 0 264 Inf -1.07747916225941 0.476268393942905
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6633 M550T4128 M550.3T68.8 550.299987792969 550.299987792969 550.299987792969 68.8074238019644 68.8074238019644 68.8074238019644 1 1 0 [134][M+1]- 1510 1.12432052539955 -0.130648533467601 0.90944801694956
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6634 M550T4454 M550.3T74.2 550.299987792969 550.299987792969 550.299987792969 74.2254525149842 74.2254525149842 74.2254525149842 1 0 1 6196 12.643114892144 1.29453588726658 0.414787759956973
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6635 M550T3670 M550.3T61.2 550.299987792969 550.299987792969 550.299987792969 61.1630778176642 61.1630778176642 61.1630778176642 1 1 0 2 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6636 M550T4381 M550.3T73 550.299987792969 550.299987792969 550.299987792969 73.0145290738671 73.0145290738671 73.0145290738671 1 0 1 6200 1.9589441563192 0.435998027414676 0.717713502878918
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6637 M550T3630 M550.3T60.5 550.299987792969 550.299987792969 550.299987792969 60.5075637611423 60.5075637611423 60.5075637611423 1 1 0 [137][M]- 1622 3.17319159334467 -1.4026528756796 0.383011111991546
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6638 M550T3191 M550.3T53.2 550.299987792969 550.299987792969 550.299987792969 53.1814849627454 53.1814849627454 53.1814849627454 1 0 1 2205 Inf 109.20970779064 0.00582917026027996
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6639 M550T2699 M550.3T45 550.299987792969 550.299987792969 550.299987792969 44.9779101077089 44.9779101077089 44.9779101077089 1 0 1 5073 Inf 1 0.5
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6640 M550T4138 M550.4T69 550.400024414062 550.400024414062 550.400024414062 68.963635614732 68.8848901412914 69.0423810881725 2 2 0 [M-2H+Na]- 529.431 [M-H-CH2O]- 581.413 99 1.65971303824574 -1.28692617066689 0.416174740935765
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6641 M550T3057 M550.4T50.9 550.400024414062 550.400024414062 550.400024414062 50.9465657149006 50.9465657149006 50.9465657149006 1 0 1 3500 Inf 1 0.5
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6642 M550T3319 M550.4T55.3 550.400024414062 550.400024414062 550.400024414062 55.3242954747926 55.3242954747926 55.3242954747926 1 1 0 1152 Inf -4.7957309419281 0.130871914219389
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6643 M550T2634 M550.4T43.9 550.400024414062 550.400024414062 550.400024414062 43.8957819894929 43.8957819894929 43.8957819894929 1 0 1 2625 4.72868522045542 0.788499715501989 0.574922355725925
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6644 M550T3856 M550.4T64.3 550.400024414062 550.400024414062 550.400024414062 64.2640666387519 64.2640666387519 64.2640666387519 1 1 0 [M+Cl]- 515.435 21 1.22739574701289 0.214916847152445 0.85119972214355
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6645 M550T2983 M550.4T49.7 550.400024414062 550.400024414062 550.400024414062 49.7158895462007 49.7158895462007 49.7158895462007 1 1 0 124 Inf -1 0.5
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6646 M550T2938 M550.4T49 550.400024414062 550.400024414062 550.400024414062 48.9741533968068 48.9741533968068 48.9741533968068 1 1 0 2820 1.80864694313324 -0.391276534950918 0.742420494148875
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6647 M550T3835 M550.4T63.9 550.400024414062 550.400024414062 550.400024414062 63.9184995221688 63.9184995221688 63.9184995221688 1 1 0 3359 2.47083190189458 -0.708509691523611 0.56968700439459
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6648 M550T4362 M550.4T72.7 550.400024414062 550.400024414062 550.400024414062 72.6996870460506 72.6996870460506 72.6996870460506 1 1 0 302 1.6058851324923 -0.421872963285298 0.73533655634583
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6649 M550T3505 M550.5T58.4 550.5 550.5 550.5 58.4105714219249 58.4105714219249 58.4105714219249 1 1 0 3393 Inf -1 0.5
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6651 M550T2744 M550.5T45.7 550.5 550.5 550.5 45.7251221718692 45.7251221718692 45.7251221718692 1 0 1 4607 Inf 1 0.5
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6652 M550T2584 M550.5T43.1 550.5 550.5 550.5 43.0703444711501 43.0703444711501 43.0703444711501 1 0 1 5748 Inf 2.40042826552459 0.251291507186139
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6653 M550T3997 M550.5T66.6 550.5 550.5 550.5 66.6111897990507 66.6111897990507 66.6111897990507 1 1 0 5446 4.82189701703634 -0.7760986411439 0.571334545453138
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6654 M550T2803 M550.5T46.7 550.5 550.5 550.5 46.7228686864629 46.7228686864629 46.7228686864629 1 1 0 5191 Inf -1 0.5
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6655 M550T3962 M550.5T66 550.5 550.5 550.5 66.0392702688823 66.0392702688823 66.0392702688823 1 1 0 6135 Inf -1 0.5
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6656 M551T2723 M550.6T45.4 550.600036621094 550.600036621094 550.600036621094 45.3882792454419 45.3882792454419 45.3882792454419 1 0 1 2525 5.73082320972376 3.31093029582402 0.0804224416754913
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6657 M551T4366 M550.6T72.8 550.600036621094 550.600036621094 550.600036621094 72.7726233598261 72.7726233598261 72.7726233598261 1 1 0 6235 1.50202429149797 0.607083429214821 0.627970392748208
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6658 M551T2700 M550.7T45 550.700012207031 550.700012207031 550.700012207031 45.0066297489416 45.0066297489416 45.0066297489416 1 0 1 4877 Inf 1 0.5
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6659 M551T4314 M550.7T71.9 550.700012207031 550.700012207031 550.700012207031 71.9041025149842 71.9041025149842 71.9041025149842 1 0 1 6128 Inf 1 0.5
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6660 M551T2592 M550.7T43.2 550.700012207031 550.700012207031 550.700012207031 43.2007611378167 43.2007611378167 43.2007611378167 1 0 1 2908 Inf 1 0.5
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6661 M551T4292 M550.8T71.5 550.799987792969 550.799987792969 550.799987792969 71.5278124072004 71.5278124072004 71.5278124072004 1 0 1 344 Inf 1 0.5
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6662 M551T2942 M550.9T49 550.900024414062 550.900024414062 550.900024414062 49.0256362415781 49.0256362415781 49.0256362415781 1 1 0 2821 Inf -1 0.5
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6663 M551T3197 M550.9T53.3 550.900024414062 550.900024414062 550.900024414062 53.2855755655575 53.2855755655575 53.2855755655575 1 0 1 1763 Inf 1 0.5
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6664 M551T2699 M550.9T45 550.900024414062 550.900024414062 550.900024414062 44.9756696019677 44.9756696019677 44.9756696019677 1 1 0 5074 Inf -1 0.5
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6665 M551T2594 M550.9T43.2 550.900024414062 550.900024414062 550.900024414062 43.2292714460137 43.2292714460137 43.2292714460137 1 1 0 2909 Inf -2.50768568563345 0.241564790124972
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6666 M551T3355 M550.9T55.9 550.900024414062 550.900024414062 550.900024414062 55.910472838249 55.910472838249 55.910472838249 1 0 1 736 Inf 1 0.5
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6667 M551T3507 M551.1T58.5 551.100036621094 551.100036621094 551.100036621094 58.452956891696 58.452956891696 58.452956891696 1 1 0 [M+Cl]- 516.128 76 5.72744712179595 -1.32940131534565 0.385785399423795
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6668 M551T3581 M551.2T59.7 551.200012207031 551.200012207031 551.200012207031 59.6790578644368 59.6773270792439 59.6807886496297 2 1 1 1644 1.00468741660419 -0.0522042649266529 0.965350357199645
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6669 M551T4472 M551.2T74.5 551.200012207031 551.200012207031 551.200012207031 74.5384525149842 74.5384525149842 74.5384525149842 1 0 1 6102 2.62577655078224 0.578619373795658 0.647787641895986
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6670 M551T3664 M551.2T61.1 551.200012207031 551.200012207031 551.200012207031 61.0677260191083 61.0677260191083 61.0677260191083 1 0 1 [136][M+1]- 2 1.2439849834266 -0.505177188086903 0.691253738392901
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6671 M551T3767 M551.2T62.8 551.200012207031 551.200012207031 551.200012207031 62.7910670431966 62.7910670431966 62.7910670431966 1 0 1 958 1.54156784541482 0.657908605640293 0.598977955606484
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6672 M551T3010 M551.2T50.2 551.200012207031 551.200012207031 551.200012207031 50.1650871379422 50.1650871379422 50.1650871379422 1 0 1 37 3.33088423561773 0.778490165259357 0.573285751625013
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6673 M551T3647 M551.2T60.8 551.200012207031 551.200012207031 551.200012207031 60.7774621763444 60.7774621763444 60.7774621763444 1 1 0 [135][M+1]- 24 1.34911298805389 -1.16779564767247 0.447581001862455
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6674 M551T4004 M551.2T66.7 551.200012207031 551.200012207031 551.200012207031 66.7373675287742 66.7373675287742 66.7373675287742 1 0 1 5821 3.88313593908559 0.719016819550115 0.591404616661741
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6675 M551T2914 M551.2T48.6 551.200012207031 551.200012207031 551.200012207031 48.5738329707945 48.5738329707945 48.5738329707945 1 1 0 56 6.95490812479858 -0.940584602655063 0.513284471227766
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6676 M551T2844 M551.2T47.4 551.200012207031 551.200012207031 551.200012207031 47.3920502264559 47.3920502264559 47.3920502264559 1 0 1 5524 7.62386098314982 3.67352319281695 0.0819356932815363
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6677 M551T3859 M551.3T64.3 551.299987792969 551.299987792969 551.299987792969 64.3227928759286 64.3227928759286 64.3227928759286 1 1 0 [3M-2H]2- 368.207 21 1.17197008266038 -0.126126037400879 0.911708653676608
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6678 M551T3847 M551.3T64.1 551.299987792969 551.299987792969 551.299987792969 64.109229956313 64.109229956313 64.109229956313 1 0 1 [3M-2H]2- 368.207 21 1.42831831466829 0.289021715424652 0.801175214854938
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6679 M551T4447 M551.3T74.1 551.299987792969 551.299987792969 551.299987792969 74.1099957405337 74.1099957405337 74.1099957405337 1 0 1 324 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6680 M551T3627 M551.3T60.4 551.299987792969 551.299987792969 551.299987792969 60.4455469845131 60.4455469845131 60.4455469845131 1 0 1 [137][M+1]- 1623 3.651383806483 -2.37837834747445 0.185429877281658
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6681 M551T2823 M551.3T47.1 551.299987792969 551.299987792969 551.299987792969 47.050398741134 47.050398741134 47.050398741134 1 0 1 3309 Inf 5.78494161248735 0.108970856565666
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6682 M551T3020 M551.3T50.3 551.299987792969 551.299987792969 551.299987792969 50.3259416320112 50.3259416320112 50.3259416320112 1 0 1 2157 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6683 M551T4095 M551.4T68.2 551.400024414062 551.400024414062 551.400024414062 68.2457486637366 68.1804133862753 68.3110839411979 2 1 0 5116 2.17149449547878 -1.08440920064857 0.43686484109059
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6684 M551T4119 M551.4T68.7 551.400024414062 551.400024414062 551.400024414062 68.6507308456228 68.6507308456228 68.6507308456228 1 1 0 4543 1.69604633278387 -0.439447961127543 0.7314584533539
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6685 M551T4132 M551.4T68.9 551.400024414062 551.400024414062 551.400024414062 68.8592396341954 68.8592396341954 68.8592396341954 1 0 1 1511 7.39890168176266 0.857052373381061 0.544795189966077
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6686 M551T3513 M551.4T58.6 551.400024414062 551.400024414062 551.400024414062 58.5570487040932 58.5570487040932 58.5570487040932 1 1 0 4533 10.9769233408301 -0.905151514455808 0.529675844764283
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6687 M551T3965 M551.4T66.1 551.400024414062 551.400024414062 551.400024414062 66.0877825894543 66.0877825894543 66.0877825894543 1 1 0 [M-H-C2H2]- 578.411 [M-H-CH2O]- 582.41 36 8.75763773707792 -0.905297053941539 0.529592352305592
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6688 M551T3166 M551.4T52.8 551.400024414062 551.400024414062 551.400024414062 52.7653437439906 52.7653437439906 52.7653437439906 1 0 1 848 Inf 1.22970579552228 0.434645558627154
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6689 M552T2906 M551.5T48.4 551.5 551.5 551.5 48.4382867648494 48.4382867648494 48.4382867648494 1 0 1 3925 Inf 1.17509956809874 0.448861201029215
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6690 M552T4251 M551.5T70.8 551.5 551.5 551.5 70.8478203793839 70.8478203793839 70.8478203793839 1 1 0 327 4.86445406574718 -1.59655996134591 0.300902276718008
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6691 M552T2707 M551.6T45.1 551.600036621094 551.600036621094 551.600036621094 45.1160872895489 45.1160872895489 45.1160872895489 1 0 1 4878 Inf 1 0.5
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6692 M552T4387 M551.7T73.1 551.700012207031 551.700012207031 551.700012207031 73.1117066931594 73.1117066931594 73.1117066931594 1 1 0 340 Inf -1 0.5
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6693 M552T3721 M551.9T62 551.900024414062 551.900024414062 551.900024414062 62.0214594686863 62.0057601073697 62.0371588300029 2 1 1 78 5.53271162900921 -0.806194207884149 0.561250415071347
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6694 M552T3021 M551.9T50.3 551.900024414062 551.900024414062 551.900024414062 50.342929430464 50.342929430464 50.342929430464 1 1 0 2158 8.90591699227718 -0.882171355301035 0.536863264180871
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6695 M552T2914 M551.9T48.6 551.900024414062 551.900024414062 551.900024414062 48.5679884388234 48.5679884388234 48.5679884388234 1 0 1 2779 4.88692572222168 0.779225620083993 0.570272454366106
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6696 M552T2611 M551.9T43.5 551.900024414062 551.900024414062 551.900024414062 43.5137444711501 43.5137444711501 43.5137444711501 1 0 1 4019 1.74525833896539 4.23307362271611 0.123137172299092
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6697 M552T2892 M552T48.2 552 552 552 48.1970781341587 48.1970781341587 48.1970781341587 1 0 1 3844 Inf 13.2686243326782 0.0478888025276003
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6698 M552T3200 M552T53.3 552 552 552 53.3404618054631 53.3404618054631 53.3404618054631 1 0 1 30 1.04592562717952 -0.0317373646662896 0.977569082335681
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6699 M552T4162 M552.1T69.4 552.100036621094 552.100036621094 552.100036621094 69.3610143742437 69.3046405735277 69.4173881749597 2 1 1 250 1.0015727096755 0.00151871486663764 0.999009870761937
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6700 M552T2633 M552.1T43.9 552.100036621094 552.100036621094 552.100036621094 43.8803971347528 43.8803971347528 43.8803971347528 1 1 0 2631 1.11010618422928 0.506409535652488 0.685912018967999
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6701 M552T3695 M552.1T61.6 552.100036621094 552.100036621094 552.100036621094 61.5899865543956 61.5899865543956 61.5899865543956 1 1 0 612 6.92350569474832 -1.52548824229251 0.364357436821663
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6702 M552T3545 M552.1T59.1 552.100036621094 552.100036621094 552.100036621094 59.0868063610179 59.0868063610179 59.0868063610179 1 1 0 2357 1.89717981168119 -0.600873739611295 0.60951654805205
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6703 M552T3888 M552.2T64.8 552.200012207031 552.200012207031 552.200012207031 64.8034310387987 64.8034310387987 64.8034310387987 1 0 1 41 3.85333883728418 0.759727566916679 0.575728214446826
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6704 M552T3348 M552.2T55.8 552.200012207031 552.200012207031 552.200012207031 55.7974313023316 55.7974313023316 55.7974313023316 1 0 1 700 1.72037367498487 2.41043871708852 0.181989827780995
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6705 M552T3825 M552.3T63.8 552.299987792969 552.299987792969 552.299987792969 63.7562728035454 63.7547840012908 63.7577616058 2 1 1 [138][M]- 1863 4.60288186930631 -0.877513712207557 0.540816717443912
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6706 M552T3855 M552.3T64.3 552.299987792969 552.299987792969 552.299987792969 64.2554244701526 64.1617841826784 64.3490647576268 2 1 1 [139][M]- [M-H]- 553.31 21 1.31157724061439 -3.5942045560528 0.168050054218307
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6707 M552T3876 M552.3T64.6 552.299987792969 552.299987792969 552.299987792969 64.5941080983655 64.5941080983655 64.5941080983655 1 0 1 [M+Cl]- 517.325 55 1.27589039919856 0.351192995974107 0.77571968583016
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6708 M552T3631 M552.3T60.5 552.299987792969 552.299987792969 552.299987792969 60.5122878429917 60.5122878429917 60.5122878429917 1 0 1 2359 1.38423386411662 0.294303288847376 0.796995598684775
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6709 M552T4226 M552.4T70.4 552.400024414062 552.400024414062 552.400024414062 70.4369375200494 70.4303891917813 70.4434858483176 2 1 1 5430 2.337186801171 -0.614345279767369 0.619010840906378
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6710 M552T3823 M552.4T63.7 552.400024414062 552.400024414062 552.400024414062 63.7203738266737 63.7203738266737 63.7203738266737 1 1 0 1852 Inf -1 0.5
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6711 M552T3836 M552.4T63.9 552.400024414062 552.400024414062 552.400024414062 63.9252990982341 63.9252990982341 63.9252990982341 1 0 1 3360 Inf 1.25734456939388 0.427735281229187
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6712 M552T3309 M552.4T55.1 552.400024414062 552.400024414062 552.400024414062 55.1430121663691 55.1430121663691 55.1430121663691 1 0 1 557 Inf 1.80560117840665 0.321989934444034
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6713 M552T2689 M552.4T44.8 552.400024414062 552.400024414062 552.400024414062 44.8193045146433 44.8193045146433 44.8193045146433 1 1 0 673 14.1158537219503 -0.926834854989896 0.522925704590133
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6714 M552T4469 M552.4T74.5 552.400024414062 552.400024414062 552.400024414062 74.4862858483176 74.4862858483176 74.4862858483176 1 0 1 6194 Inf 1.65849995201196 0.345422943755514
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6715 M552T3152 M552.4T52.5 552.400024414062 552.400024414062 552.400024414062 52.531098603379 52.531098603379 52.531098603379 1 0 1 3047 Inf 1 0.5
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6716 M552T2887 M552.4T48.1 552.400024414062 552.400024414062 552.400024414062 48.1162959745194 48.1162959745194 48.1162959745194 1 0 1 5665 1.11269693821628 0.0753308572205903 0.946877077673872
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6717 M552T2775 M552.4T46.2 552.400024414062 552.400024414062 552.400024414062 46.2445319224406 46.2445319224406 46.2445319224406 1 0 1 5127 Inf 1 0.5
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6718 M552T4321 M552.5T72 552.5 552.5 552.5 72.0084358483176 72.0084358483176 72.0084358483176 1 0 1 336 Inf 1 0.5
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6719 M552T2806 M552.5T46.8 552.5 552.5 552.5 46.7628430062386 46.7628430062386 46.7628430062386 1 0 1 154 Inf 1 0.5
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6720 M553T3156 M552.8T52.6 552.799987792969 552.799987792969 552.799987792969 52.5991246043886 52.5991246043886 52.5991246043886 1 0 1 849 Inf 1 0.5
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6721 M553T2783 M552.8T46.4 552.799987792969 552.799987792969 552.799987792969 46.3778941866322 46.3778941866322 46.3778941866322 1 1 0 4958 3.70567898263097 -0.704927700851855 0.596580011606754
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6722 M553T2628 M552.8T43.8 552.799987792969 552.799987792969 552.799987792969 43.800633744761 43.800633744761 43.800633744761 1 1 0 2675 1.36178211034563 -0.214134098024698 0.851846898223324
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6723 M553T2722 M552.9T45.4 552.900024414062 552.900024414062 552.900024414062 45.3621905128769 45.3621905128769 45.3621905128769 1 1 0 2526 Inf -1.20097572137522 0.442029670150539
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6724 M553T3132 M553T52.2 553 553 553 52.2017322730388 52.2017322730388 52.2017322730388 1 1 0 144 2.3489037693843 -1.01914962398795 0.417181230687379
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6725 M553T3738 M553T62.3 553 553 553 62.2933008732179 62.2933008732179 62.2933008732179 1 1 0 5201 13.4892117084936 -0.923332957073962 0.52401493914269
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6726 M553T3346 M553.1T55.8 553.100036621094 553.100036621094 553.100036621094 55.7695040562218 55.6176931945718 55.9517815655405 3 1 2 816 1.66594524840015 0.871846854741614 0.536232068414921
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6727 M553T3705 M553.1T61.7 553.100036621094 553.100036621094 553.100036621094 61.7464232883198 61.7464232883198 61.7464232883198 1 1 0 1202 4.60151795477681 -0.764828179861081 0.575192441994576
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6728 M553T4161 M553.1T69.4 553.100036621094 553.100036621094 553.100036621094 69.3501753041533 69.3501753041533 69.3501753041533 1 0 1 6039 1.65035678870143 0.337027738260336 0.774084681706655
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6729 M553T4146 M553.1T69.1 553.100036621094 553.100036621094 553.100036621094 69.1018003546855 69.1018003546855 69.1018003546855 1 0 1 5621 3.59185248704939 0.695153867739775 0.600227181912918
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6730 M553T3615 M553.1T60.2 553.100036621094 553.100036621094 553.100036621094 60.2437135525526 60.2437135525526 60.2437135525526 1 0 1 2591 1.39535700111352 0.230302051551336 0.841200126548244
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6731 M553T4198 M553.1T70 553.100036621094 553.100036621094 553.100036621094 69.9699105978118 69.9699105978118 69.9699105978118 1 0 1 6086 4.99962271321649 0.784447464148277 0.568506566731031
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6732 M553T3374 M553.1T56.2 553.100036621094 553.100036621094 553.100036621094 56.2294767463462 56.2294767463462 56.2294767463462 1 0 1 1592 4.23873969637277 1.52459465488704 0.302209683813556
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6733 M553T4093 M553.2T68.2 553.200012207031 553.200012207031 553.200012207031 68.2085009397011 68.2085009397011 68.2085009397011 1 0 1 4986 1.52638935406601 0.663194730260111 0.62686525762625
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6734 M553T3877 M553.2T64.6 553.200012207031 553.200012207031 553.200012207031 64.6202857662103 64.6202857662103 64.6202857662103 1 0 1 55 4.47709885877139 0.79044819145656 0.569813142689592
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6735 M553T3499 M553.2T58.3 553.200012207031 553.200012207031 553.200012207031 58.3175819839292 58.3175819839292 58.3175819839292 1 0 1 [M+Cl]- 518.228 76 1.52320603889404 0.478132395454177 0.69087886259112
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6736 M553T3934 M553.2T65.6 553.200012207031 553.200012207031 553.200012207031 65.5627445235485 65.5627445235485 65.5627445235485 1 1 0 3020 11.2799538294544 -0.90778683980362 0.528854375417883
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6737 M553T2554 M553.2T42.6 553.200012207031 553.200012207031 553.200012207031 42.5723329099392 42.5723329099392 42.5723329099392 1 1 0 65 1.17857791480529 -0.191226689106306 0.866483158672888
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6738 M553T2655 M553.2T44.3 553.200012207031 553.200012207031 553.200012207031 44.2529407694737 44.2529407694737 44.2529407694737 1 0 1 5850 1.44127095983216 0.251549299240668 0.827383335844123
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6739 M553T3826 M553.3T63.8 553.299987792969 553.299987792969 553.299987792969 63.7693705072602 63.7577616058 63.7809794087204 2 1 1 [138][M+1]- 1858 6.07479521686315 -0.894575236659083 0.532417516403812
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6740 M553T3451 M553.3T57.5 553.299987792969 553.299987792969 553.299987792969 57.523877271637 57.4737949279535 57.5739596153205 2 1 1 3332 1.88383853395871 -0.86819158823634 0.476973634595926
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6741 M553T3853 M553.3T64.2 553.299987792969 553.299987792969 553.299987792969 64.2143394697321 64.2143394697321 64.2143394697321 1 0 1 [139][M+1]- 21 4.43086249372026 -1.08304744753509 0.47456838781577
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6742 M553T3936 M553.3T65.6 553.299987792969 553.299987792969 553.299987792969 65.6072513111386 65.6072513111386 65.6072513111386 1 0 1 4128 3.45066770187108 1.42440900074036 0.386745067287308
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6743 M553T3475 M553.3T57.9 553.299987792969 553.299987792969 553.299987792969 57.9095149351113 57.9095149351113 57.9095149351113 1 0 1 1810 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6744 M553T3171 M553.3T52.8 553.299987792969 553.299987792969 553.299987792969 52.8461856331342 52.8461856331342 52.8461856331342 1 1 0 793 1.09776614361183 -0.0885664919383143 0.940492302666243
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6745 M553T4179 M553.4T69.7 553.400024414062 553.400024414062 553.400024414062 69.6509907201428 69.6164962810316 69.685485159254 2 1 1 [2M-2H+K]- 258.229 115 2.12066800609349 1.82107270372711 0.265054955634787
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6746 M553T2885 M553.4T48.1 553.400024414062 553.400024414062 553.400024414062 48.0779969380808 48.0779969380808 48.0779969380808 1 1 0 5657 6.65097457429819 -0.840202238689878 0.550179052440301
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6747 M553T4097 M553.4T68.3 553.400024414062 553.400024414062 553.400024414062 68.2906027695799 68.2906027695799 68.2906027695799 1 0 1 5109 Inf 1.41909786765101 0.390792452168771
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6748 M553T3842 M553.4T64 553.400024414062 553.400024414062 553.400024414062 64.0304006936283 64.0304006936283 64.0304006936283 1 0 1 1419 33.7824541957437 0.969973968427331 0.509476642861064
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6749 M553T3164 M553.4T52.7 553.400024414062 553.400024414062 553.400024414062 52.7316395756493 52.7316395756493 52.7316395756493 1 0 1 850 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6750 M553T4139 M553.4T69 553.400024414062 553.400024414062 553.400024414062 68.9884877004979 68.9884877004979 68.9884877004979 1 0 1 3997 12.9885871084442 0.920285835668169 0.524962873425826
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6751 M553T2622 M553.4T43.7 553.400024414062 553.400024414062 553.400024414062 43.6943514696204 43.6943514696204 43.6943514696204 1 1 0 2676 7.35665362331375 -0.856194737024806 0.545067852573095
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6752 M553T3183 M553.4T53 553.400024414062 553.400024414062 553.400024414062 53.0488811899415 53.0488811899415 53.0488811899415 1 1 0 40 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6753 M553T2992 M553.4T49.9 553.400024414062 553.400024414062 553.400024414062 49.8747472861688 49.8747472861688 49.8747472861688 1 0 1 1827 1.09241380537131 -0.0623995000299712 0.955958804560379
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6754 M553T3318 M553.4T55.3 553.400024414062 553.400024414062 553.400024414062 55.3026466544419 55.3026466544419 55.3026466544419 1 1 0 4 Inf -1 0.5
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6755 M554T3314 M553.5T55.2 553.5 553.5 553.5 55.2305163847596 55.2305163847596 55.2305163847596 1 0 1 558 4.31177116091939 0.748217584265479 0.580968091317849
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6756 M554T4183 M553.5T69.7 553.5 553.5 553.5 69.7208450374247 69.7208450374247 69.7208450374247 1 1 0 6025 2.9552472849529 -0.626711228360511 0.627195459815447
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6757 M554T3174 M553.9T52.9 553.900024414062 553.900024414062 553.900024414062 52.8970785626083 52.8970785626083 52.8970785626083 1 1 0 794 3.50783853214641 -0.687532535690462 0.603104584304946
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6758 M554T2540 M554T42.3 554 554 554 42.3400278044834 42.3400278044834 42.3400278044834 1 0 1 5554 3.91415647074651 0.721347496011352 0.590557550639582
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6759 M554T2736 M554T45.6 554 554 554 45.6023451629537 45.6023451629537 45.6023451629537 1 0 1 4594 14.0273828307788 1.39892728988572 0.391245815918261
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6760 M554T2662 M554T44.4 554 554 554 44.3583859212274 44.3583859212274 44.3583859212274 1 1 0 2274 25.9708945782155 -1.30081588628786 0.416365312085202
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6761 M554T3447 M554T57.4 554 554 554 57.4427244480407 57.4427244480407 57.4427244480407 1 1 0 [M+Cl]- 519.032 62 4.58760327375157 -0.764079394208845 0.575450452103206
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6762 M554T3186 M554T53.1 554 554 554 53.1024061825699 53.1024061825699 53.1024061825699 1 0 1 2206 Inf 1 0.5
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6763 M554T3129 M554.1T52.1 554.100036621094 554.100036621094 554.100036621094 52.1429992675103 52.1429992675103 52.1429992675103 1 1 0 5318 Inf -1.99651128885718 0.295612052462735
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6764 M554T3736 M554.2T62.3 554.200012207031 554.200012207031 554.200012207031 62.2670501867713 62.2670501867713 62.2670501867713 1 1 0 3583 1.26689153841352 -0.18961642902537 0.872775748515936
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6765 M554T3215 M554.2T53.6 554.200012207031 554.200012207031 554.200012207031 53.5781685456716 53.5781685456716 53.5781685456716 1 0 1 4281 1.34257308241203 0.342365182331562 0.789899356517795
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6766 M554T4207 M554.2T70.1 554.200012207031 554.200012207031 554.200012207031 70.1161968284805 70.1161968284805 70.1161968284805 1 1 0 140 Inf -1 0.5
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6767 M554T3334 M554.2T55.6 554.200012207031 554.200012207031 554.200012207031 55.5652477366008 55.5652477366008 55.5652477366008 1 0 1 15 1.30217215121167 0.383033177076896 0.749567465453936
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6768 M554T2534 M554.2T42.2 554.200012207031 554.200012207031 554.200012207031 42.2332662432725 42.2332662432725 42.2332662432725 1 1 0 227 3.67111111111105 -1.54539652591375 0.275208158766585
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6769 M554T3237 M554.3T54 554.299987792969 554.299987792969 554.299987792969 53.9552676194097 53.9113482599675 53.999186978852 2 1 1 2702 1.87832417062944 -0.47101097018171 0.691206046675589
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6770 M554T3716_1 M554.3T61.9_1 554.299987792969 554.299987792969 554.299987792969 61.932895495876 61.932895495876 61.932895495876 1 0 1 17 1.4649632424204 -0.390414230437573 0.753014558273402
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6771 M554T3825 M554.3T63.8 554.299987792969 554.299987792969 554.299987792969 63.7577616058 63.7577616058 63.7577616058 1 1 0 [138][M+2]- 1859 6.29595555670794 -0.872449085357476 0.539093173459874
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6772 M554T3093 M554.4T51.5 554.400024414062 554.400024414062 554.400024414062 51.5451573874517 51.5451573874517 51.5451573874517 1 0 1 5374 Inf 1 0.5
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6773 M554T3716_2 M554.4T61.9_2 554.400024414062 554.400024414062 554.400024414062 61.927840334887 61.927840334887 61.927840334887 1 1 0 [M+Cl]- 519.429 [M-H-CO2]- 599.405 [M-H-N2O]- 599.405 17 11.2614546606509 -0.932013871184945 0.522343595470851
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6774 M554T3841 M554.4T64 554.400024414062 554.400024414062 554.400024414062 64.0172295070377 64.0172295070377 64.0172295070377 1 0 1 3171 4.60137919912037 3.46143563863057 0.150532684869206
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6775 M554T2916 M554.4T48.6 554.400024414062 554.400024414062 554.400024414062 48.5938745194084 48.5938745194084 48.5938745194084 1 0 1 2780 24.96129406353 0.959168566650102 0.512856673208691
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6776 M554T3002 M554.4T50 554.400024414062 554.400024414062 554.400024414062 50.0337327095693 50.0337327095693 50.0337327095693 1 1 0 4094 Inf -1 0.5
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6777 M554T4138 M554.4T69 554.400024414062 554.400024414062 554.400024414062 68.9703791674612 68.9703791674612 68.9703791674612 1 0 1 [M-H-C2H2]- 581.413 [M-H-HCNO]- 598.406 99 1.92279126223372 0.730726794312277 0.570219494695001
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6778 M554T2836 M554.5T47.3 554.5 554.5 554.5 47.2598122596236 47.2598122596236 47.2598122596236 1 0 1 4588 Inf 1 0.5
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6779 M555T2871 M554.7T47.8 554.700012207031 554.700012207031 554.700012207031 47.8469642025984 47.8469642025984 47.8469642025984 1 0 1 4770 Inf 1 0.5
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6780 M555T2628 M554.8T43.8 554.799987792969 554.799987792969 554.799987792969 43.800633744761 43.800633744761 43.800633744761 1 1 0 2677 Inf -1 0.5
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6781 M555T3975 M554.9T66.3 554.900024414062 554.900024414062 554.900024414062 66.2511083848454 66.2511083848454 66.2511083848454 1 1 0 2063 Inf -1 0.5
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6782 M555T2930 M554.9T48.8 554.900024414062 554.900024414062 554.900024414062 48.8327454465577 48.8327454465577 48.8327454465577 1 0 1 3633 Inf 1 0.5
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6783 M555T2964 M555T49.4 555 555 555 49.3998659864841 49.3998659864841 49.3998659864841 1 0 1 3279 1.35595676600113 0.244328182248992 0.829823078286113
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6784 M555T2911 M555T48.5 555 555 555 48.5161606673473 48.5161606673473 48.5161606673473 1 0 1 2781 2.34964604429727 0.626956027759647 0.639028753113124
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6785 M555T3038 M555T50.6 555 555 555 50.6372073861865 50.6372073861865 50.6372073861865 1 0 1 3215 4.56064805435046 0.914262069186764 0.512845854685388
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6786 M555T3905 M555.1T65.1 555.100036621094 555.100036621094 555.100036621094 65.0910298043821 65.0910298043821 65.0910298043821 1 0 1 135 1.02873598115664 -0.022169034782004 0.984445252692789
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6787 M555T4298 M555.1T71.6 555.100036621094 555.100036621094 555.100036621094 71.6321457405337 71.6321457405337 71.6321457405337 1 0 1 346 Inf 1 0.5
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6788 M555T2980 M555.1T49.7 555.100036621094 555.100036621094 555.100036621094 49.6634559810655 49.6634559810655 49.6634559810655 1 0 1 5288 2.54612447767593 0.825754182287882 0.560146858656687
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6789 M555T3463 M555.1T57.7 555.100036621094 555.100036621094 555.100036621094 57.7086062162146 57.7086062162146 57.7086062162146 1 0 1 1294 10.4510783829273 1.61970374115668 0.341666025583139
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6790 M555T3987 M555.1T66.4 555.100036621094 555.100036621094 555.100036621094 66.4483004191523 66.4483004191523 66.4483004191523 1 0 1 4508 Inf 1 0.5
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6791 M555T4142 M555.1T69 555.100036621094 555.100036621094 555.100036621094 69.0401974996345 69.0401974996345 69.0401974996345 1 0 1 4245 Inf 1 0.5
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6792 M555T4110 M555.2T68.5 555.200012207031 555.200012207031 555.200012207031 68.4973340588448 68.4973340588448 68.4973340588448 1 0 1 2316 1.42863456459755 -0.245798491553072 0.831102661783508
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6793 M555T4130 M555.2T68.8 555.200012207031 555.200012207031 555.200012207031 68.8335388019452 68.8335388019452 68.8335388019452 1 1 0 1512 Inf -2.24649618800451 0.266618289891762
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6794 M555T2882 M555.3T48 555.299987792969 555.299987792969 555.299987792969 48.0254466269442 48.0254466269442 48.0254466269442 1 1 0 4749 Inf -3.95112010033481 0.157810018267905
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6795 M555T2565 M555.3T42.8 555.299987792969 555.299987792969 555.299987792969 42.7549162432725 42.7549162432725 42.7549162432725 1 1 0 223 2.99797937930216 -2.24125435336073 0.234365124030001
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6796 M555T3113 M555.4T51.9 555.400024414062 555.400024414062 555.400024414062 51.8788734795883 51.8475299886557 51.9102169705209 2 1 1 5352 1.00664117528679 -0.0046804525089987 0.996690454904771
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6797 M555T3848 M555.4T64.1 555.400024414062 555.400024414062 555.400024414062 64.1390715523787 64.1390715523787 64.1390715523787 1 1 0 1420 1.36554913966915 -0.247618564674686 0.828840638172992
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6798 M555T3887 M555.4T64.8 555.400024414062 555.400024414062 555.400024414062 64.7772731038213 64.7772731038213 64.7772731038213 1 0 1 2259 4.5233176219048 1.40554104663072 0.344784926078656
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6799 M555T3174 M555.4T52.9 555.400024414062 555.400024414062 555.400024414062 52.8983353012027 52.8983353012027 52.8983353012027 1 1 0 795 Inf -1 0.5
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6800 M556T4111 M555.5T68.5 555.5 555.5 555.5 68.5174902467128 68.5174902467128 68.5174902467128 1 1 0 43 4.50610366119781 -1.02690211063452 0.469300721855004
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6801 M556T3805 M555.5T63.4 555.5 555.5 555.5 63.4249379121707 63.4249379121707 63.4249379121707 1 0 1 4186 Inf 1 0.5
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6802 M556T2622 M555.7T43.7 555.700012207031 555.700012207031 555.700012207031 43.697161463341 43.697161463341 43.697161463341 1 0 1 2678 Inf 1 0.5
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6803 M556T3699 M555.8T61.6 555.799987792969 555.799987792969 555.799987792969 61.6421958967278 61.6421958967278 61.6421958967278 1 1 0 4192 Inf -1 0.5
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6804 M556T2967 M555.8T49.4 555.799987792969 555.799987792969 555.799987792969 49.4465931738099 49.4465931738099 49.4465931738099 1 0 1 3280 Inf 1 0.5
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6805 M556T2714 M555.9T45.2 555.900024414062 555.900024414062 555.900024414062 45.2255634917378 45.2255634917378 45.2255634917378 1 0 1 2527 1.00531840336824 0.00375069201420701 0.997347878054496
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6806 M556T2798 M555.9T46.6 555.900024414062 555.900024414062 555.900024414062 46.6264255958417 46.6264255958417 46.6264255958417 1 1 0 3949 Inf -1 0.5
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6807 M556T3313 M556T55.2 556 556 556 55.2237562221118 55.2237562221118 55.2237562221118 1 1 0 [M-H-H2O]- 575.01 4 Inf -1 0.5
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6808 M556T3973 M556T66.2 556 556 556 66.2186471064123 66.2186471064123 66.2186471064123 1 1 0 36 3.74288515374589 -0.707993069858082 0.59544587036983
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6809 M556T4129 M556.1T68.8 556.100036621094 556.100036621094 556.100036621094 68.8207817002959 68.7558030916346 68.8857603089572 2 1 1 1513 1.58415841584168 -0.311820334321043 0.789392741524807
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6810 M556T4053 M556.1T67.5 556.100036621094 556.100036621094 556.100036621094 67.5462092090621 67.5462092090621 67.5462092090621 1 1 0 3433 Inf -1 0.5
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6811 M556T3448 M556.1T57.5 556.100036621094 556.100036621094 556.100036621094 57.4690606377124 57.4690606377124 57.4690606377124 1 1 0 [M+Cl]- 521.132 62 5.93802502614734 -2.25691085022121 0.260328614780003
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6812 M556T3625 M556.1T60.4 556.100036621094 556.100036621094 556.100036621094 60.4204003306338 60.4204003306338 60.4204003306338 1 0 1 1624 2.26544729580316 0.85541731343575 0.483017897705725
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6813 M556T3994 M556.1T66.6 556.100036621094 556.100036621094 556.100036621094 66.5688165444256 66.5688165444256 66.5688165444256 1 1 0 4465 1.74994665291143 -0.735598249452823 0.588823797397608
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6814 M556T3734 M556.1T62.2 556.100036621094 556.100036621094 556.100036621094 62.2408204419624 62.2408204419624 62.2408204419624 1 1 0 3584 1.78336522747339 -0.413241015292098 0.738908830856443
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6815 M556T3958 M556.1T66 556.100036621094 556.100036621094 556.100036621094 65.959826190323 65.959826190323 65.959826190323 1 1 0 5399 5.82794806220509 -4.75194179849879 0.120839950217519
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6816 M556T3439 M556.2T57.3 556.200012207031 556.200012207031 556.200012207031 57.3103849225685 57.2598474731472 57.3176053882996 3 1 2 [140][M]- 137 1.92370327288126 1.77716895233732 0.318539513517855
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6817 M556T2676 M556.2T44.6 556.200012207031 556.200012207031 556.200012207031 44.6074742963545 44.6074742963545 44.6074742963545 1 1 0 629 2.17596324028764 -0.491059368788065 0.689108505582643
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6818 M556T3104 M556.2T51.7 556.200012207031 556.200012207031 556.200012207031 51.7296528300039 51.7296528300039 51.7296528300039 1 1 0 3152 2.05213566579605 -2.99480750206703 0.165317340192464
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6819 M556T3119 M556.2T52 556.200012207031 556.200012207031 556.200012207031 51.9908895013549 51.9908895013549 51.9908895013549 1 0 1 5033 1.5302000843031 -1.65075344915774 0.242365976793585
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6820 M556T2914 M556.3T48.6 556.299987792969 556.299987792969 556.299987792969 48.5607748740183 48.4569026009951 48.5990345517257 4 2 1 [141][M]- 56 3.9919569113949 -0.90499816027694 0.527610075924199
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6821 M556T3113 M556.3T51.9 556.299987792969 556.299987792969 556.299987792969 51.8791700206621 51.8739429217541 51.8843971195701 2 1 1 5353 1.1760105378411 0.136370250349726 0.904459509515466
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6822 M556T3496 M556.3T58.3 556.299987792969 556.299987792969 556.299987792969 58.2666138953485 58.2666138953485 58.2666138953485 1 0 1 3511 1.47938952865355 -0.268465803111841 0.816533932290849
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6823 M556T3258 M556.3T54.3 556.299987792969 556.299987792969 556.299987792969 54.292408350193 54.292408350193 54.292408350193 1 1 0 3608 Inf -1 0.5
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6824 M556T3898 M556.4T65 556.400024414062 556.400024414062 556.400024414062 64.9603311356583 64.9603311356583 64.9603311356583 2 0 1 5757 3.59731637112145 0.805812806646021 0.548257413122855
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6825 M556T2626 M556.4T43.8 556.400024414062 556.400024414062 556.400024414062 43.7740538815564 43.7740538815564 43.7740538815564 1 1 0 2679 6.927681885471 -0.846874124299669 0.548040283396327
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6826 M556T2643 M556.4T44 556.400024414062 556.400024414062 556.400024414062 44.0477025683827 44.0477025683827 44.0477025683827 1 1 0 5675 3.37021893241403 -0.674229525055413 0.608199465051984
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6827 M556T3968 M556.5T66.1 556.5 556.5 556.5 66.1329293615875 66.1329293615875 66.1329293615875 1 0 1 2064 Inf 1 0.5
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6828 M556T2595 M556.5T43.3 556.5 556.5 556.5 43.2553547793471 43.2553547793471 43.2553547793471 1 1 0 2910 Inf -3.29020428242383 0.187841458329793
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6829 M556T2579 M556.5T43 556.5 556.5 556.5 42.9896495766058 42.9896495766058 42.9896495766058 1 1 0 4079 Inf -1.48436460412508 0.377419030018359
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6830 M556T4146 M556.5T69.1 556.5 556.5 556.5 69.0945966613164 69.0945966613164 69.0945966613164 1 1 0 5836 Inf -1 0.5
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6831 M557T3943 M556.6T65.7 556.600036621094 556.600036621094 556.600036621094 65.7215326151903 65.7215326151903 65.7215326151903 1 1 0 4169 Inf -1 0.5
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6832 M557T4172 M556.6T69.5 556.600036621094 556.600036621094 556.600036621094 69.5307764198623 69.5307764198623 69.5307764198623 1 0 1 4420 Inf 1 0.5
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6833 M557T4062 M557T67.7 557 557 557 67.6960729123313 67.6960729123313 67.6960729123313 1 0 1 4704 Inf 1 0.5
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6834 M557T3565 M557T59.4 557 557 557 59.412096709312 59.412096709312 59.412096709312 1 1 0 1627 3.78120588522776 -0.711086860877128 0.594305839415577
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6835 M557T4029 M557T67.2 557 557 557 67.1522076340729 67.1522076340729 67.1522076340729 1 0 1 3785 Inf 1.93795546850757 0.303267597341241
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6836 M557T3158 M557T52.6 557 557 557 52.6353514783596 52.6353514783596 52.6353514783596 1 0 1 851 1.25067072444027 0.421903432098211 0.722354854257203
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6837 M557T3756 M557.1T62.6 557.100036621094 557.100036621094 557.100036621094 62.60793258277 62.5831845957211 62.6326805698188 2 0 2 934 9.52681568647476 3.68583249412499 0.106866751852795
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6838 M557T3712 M557.1T61.9 557.100036621094 557.100036621094 557.100036621094 61.8635183896562 61.8202089154605 61.9068278638518 2 1 1 1157 1.13693842775541 -0.119933508872461 0.91816413164789
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6839 M557T3433 M557.1T57.2 557.100036621094 557.100036621094 557.100036621094 57.2166536306614 57.14178766703 57.2915195942929 2 1 1 4918 1.26866144240088 0.169018567018283 0.882354071932049
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6840 M557T3453 M557.1T57.6 557.100036621094 557.100036621094 557.100036621094 57.5526018361723 57.5526018361723 57.5526018361723 1 0 1 1295 8.92935341339392 0.88249302521603 0.536762278392805
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6841 M557T3348 M557.1T55.8 557.100036621094 557.100036621094 557.100036621094 55.8040877446846 55.8040877446846 55.8040877446846 1 0 1 737 6.82640211115523 0.871552976577728 0.538424335832222
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6842 M557T3777 M557.1T62.9 557.100036621094 557.100036621094 557.100036621094 62.9468006650891 62.9468006650891 62.9468006650891 1 0 1 6058 1.29630286635094 0.180982239224467 0.874005162014518
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lecorguille
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6843 M557T2568 M557.1T42.8 557.100036621094 557.100036621094 557.100036621094 42.7976014146668 42.7976014146668 42.7976014146668 1 0 1 5867 2.62981162981165 0.614920506212602 0.646467672026733
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6844 M557T3346 M557.2T55.8 557.200012207031 557.200012207031 557.200012207031 55.7716673141231 55.7218214079965 55.8216030760909 3 2 1 815 3.64789892041749 -1.11853905944453 0.463338116586986
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lecorguille
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6845 M557T2913 M557.2T48.5 557.200012207031 557.200012207031 557.200012207031 48.5481814919484 48.4388023567418 48.5617656308504 3 2 1 [M-H]- 558.21 56 4.55296760989354 -1.94990919498868 0.299806347240891
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6846 M557T3824_1 M557.2T63.7_1 557.200012207031 557.200012207031 557.200012207031 63.7285993743001 63.7285993743001 63.7285993743001 2 0 1 1862 1.96094721168228 0.510281541475973 0.678007637347287
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6847 M557T4125 M557.2T68.8 557.200012207031 557.200012207031 557.200012207031 68.7558030916346 68.7558030916346 68.7558030916346 1 0 1 1514 1.36418097374131 -0.22839270095382 0.841418315430414
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6848 M557T4091 M557.2T68.2 557.200012207031 557.200012207031 557.200012207031 68.1872389481614 68.1872389481614 68.1872389481614 1 0 1 4959 1.60406966323692 -1.01062123697698 0.484483125838794
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6849 M557T3434 M557.2T57.2 557.200012207031 557.200012207031 557.200012207031 57.2336419375963 57.2336419375963 57.2336419375963 1 0 1 [140][M+1]- 137 1.06714887763912 0.094208610551573 0.940180164017794
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6850 M557T3369 M557.2T56.2 557.200012207031 557.200012207031 557.200012207031 56.1571318926924 56.1571318926924 56.1571318926924 1 0 1 5765 2.55871521025665 1.08439759920045 0.468870266171014
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6851 M557T3503 M557.3T58.4 557.299987792969 557.299987792969 557.299987792969 58.3885076434048 58.3317289697945 58.4452863170151 2 1 1 76 1.81814466806183 0.394285440781368 0.740717689491877
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6852 M557T3277 M557.3T54.6 557.299987792969 557.299987792969 557.299987792969 54.6180701143941 54.6180701143941 54.6180701143941 1 0 1 [M+Cl]- 522.337 18 2.37251120028573 0.533087048580716 0.668641674578212
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6853 M557T4108 M557.3T68.5 557.299987792969 557.299987792969 557.299987792969 68.4650466102311 68.4650466102311 68.4650466102311 1 1 0 2280 7.92382212305368 -0.98525356804026 0.499479304760827
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6854 M557T2917 M557.3T48.6 557.299987792969 557.299987792969 557.299987792969 48.6197414605152 48.6197414605152 48.6197414605152 1 0 1 [141][M+1]- 2782 1.32322333235519 0.315365299760049 0.801728280464187
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6855 M557T4071 M557.3T67.9 557.299987792969 557.299987792969 557.299987792969 67.8512413067894 67.8512413067894 67.8512413067894 1 0 1 3854 1.16966802759871 0.503443784268006 0.702313731100717
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6856 M557T3366 M557.3T56.1 557.299987792969 557.299987792969 557.299987792969 56.0965892015683 56.0965892015683 56.0965892015683 1 0 1 126 1.31898768912326 -0.314102926593081 0.803837691546996
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6857 M557T3824_2 M557.3T63.7_2 557.299987792969 557.299987792969 557.299987792969 63.7309657474684 63.7309657474684 63.7309657474684 1 1 0 1868 13.0899173180394 -0.950696863855055 0.515744416704045
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6858 M557T3733 M557.4T62.2 557.400024414062 557.400024414062 557.400024414062 62.2146120327001 62.2146120327001 62.2146120327001 1 1 0 3585 2.09683420145554 -0.808928002493052 0.512255811651265
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6859 M557T2680 M557.4T44.7 557.400024414062 557.400024414062 557.400024414062 44.6609710624358 44.6609710624358 44.6609710624358 1 0 1 6 4.05768509876168 1.166785930479 0.410993204491224
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6860 M557T3507 M557.4T58.5 557.400024414062 557.400024414062 557.400024414062 58.452956891696 58.452956891696 58.452956891696 1 1 0 [M-H]- 558.412 [M-H-HCN]- 585.41 76 6.10991925958791 -0.933268413203988 0.519855036338686
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6861 M557T3780 M557.4T63 557.400024414062 557.400024414062 557.400024414062 63.0023932176446 63.0023932176446 63.0023932176446 1 0 1 [M-2H+Na]- 536.429 [M-H-CH2]- 572.411 88 92.1818748719386 1.04259227083841 0.486691263190285
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6862 M557T3222 M557.4T53.7 557.400024414062 557.400024414062 557.400024414062 53.7025032953518 53.7025032953518 53.7025032953518 1 0 1 4333 Inf 1 0.5
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6863 M557T3359 M557.4T56 557.400024414062 557.400024414062 557.400024414062 55.9774734345901 55.9774734345901 55.9774734345901 1 0 1 710 3.24148555863733 0.690691803480265 0.614757983379788
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6864 M557T3377 M557.4T56.3 557.400024414062 557.400024414062 557.400024414062 56.2858378510571 56.2858378510571 56.2858378510571 1 1 0 1593 2.41368985857649 -0.541095873613637 0.664875086783642
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6865 M557T3875 M557.4T64.6 557.400024414062 557.400024414062 557.400024414062 64.5792961109386 64.5792961109386 64.5792961109386 1 1 0 2752 Inf -1.26573662741014 0.42567369555803
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6866 M558T4104 M557.5T68.4 557.5 557.5 557.5 68.3939657182249 68.3939657182249 68.3939657182249 1 0 1 6177 Inf 1 0.5
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6867 M558T3500 M557.5T58.3 557.5 557.5 557.5 58.3265122292451 58.3265122292451 58.3265122292451 1 0 1 3394 2.1752059859359 0.490884193263126 0.689196290524653
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6868 M558T3769 M557.5T62.8 557.5 557.5 557.5 62.8169163944725 62.8169163944725 62.8169163944725 1 0 1 959 8.92708176124083 0.882461922570495 0.536772042272565
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6869 M558T2803 M557.5T46.7 557.5 557.5 557.5 46.7105168769603 46.7105168769603 46.7105168769603 1 0 1 5175 Inf 1 0.5
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6870 M558T3894 M557.6T64.9 557.600036621094 557.600036621094 557.600036621094 64.8976196108427 64.8976196108427 64.8976196108427 1 0 1 4910 2.80318757291066 0.638833864749975 0.6357378864751
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6871 M558T3970 M557.6T66.2 557.600036621094 557.600036621094 557.600036621094 66.1625684051512 66.1625684051512 66.1625684051512 1 0 1 1990 Inf 1 0.5
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6872 M558T4094 M557.7T68.2 557.700012207031 557.700012207031 557.700012207031 68.2389213595141 68.2389213595141 68.2389213595141 1 0 1 5110 Inf 1 0.5
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6873 M558T2688 M557.9T44.8 557.900024414062 557.900024414062 557.900024414062 44.7931198317599 44.7931198317599 44.7931198317599 1 0 1 674 1.61943529125103 0.325452425136371 0.78106917299817
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6874 M558T3335 M557.9T55.6 557.900024414062 557.900024414062 557.900024414062 55.591099298546 55.591099298546 55.591099298546 1 0 1 1122 11.3068215055128 0.987783998876796 0.501514311549495
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6875 M558T3997 M558T66.6 558 558 558 66.6217496555421 66.6217496555421 66.6217496555421 1 1 0 5447 Inf -1 0.5
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6876 M558T3266 M558T54.4 558 558 558 54.4256937512455 54.4256937512455 54.4256937512455 1 1 0 3609 5.635179790501 -3.17017449299744 0.0872139813859381
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6877 M558T4012 M558T66.9 558 558 558 66.8666235855479 66.8666235855479 66.8666235855479 1 0 1 5236 Inf 2.32568552999782 0.258519708833692
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6878 M558T4122 M558T68.7 558 558 558 68.7029543960126 68.7029543960126 68.7029543960126 1 1 0 1736 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6879 M558T3252 M558.1T54.2 558.100036621094 558.100036621094 558.100036621094 54.1990734623451 54.1686664324199 54.1990734623451 3 1 1 [M-H]- 559.11 34 1.36176403877508 0.352882013095333 0.760268076505187
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6880 M558T3573 M558.1T59.5 558.100036621094 558.100036621094 558.100036621094 59.5446936857574 59.5446936857574 59.5446936857574 1 1 0 27 Inf -1 0.5
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6881 M558T3523 M558.1T58.7 558.100036621094 558.100036621094 558.100036621094 58.7145324371275 58.7145324371275 58.7145324371275 1 1 0 428 2.16185390277768 -0.487777421466041 0.690756597483658
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6882 M558T3763 M558.1T62.7 558.100036621094 558.100036621094 558.100036621094 62.7118680963244 62.7118680963244 62.7118680963244 1 0 1 951 Inf 1.2585352829932 0.427441744946421
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6883 M558T4138 M558.1T69 558.100036621094 558.100036621094 558.100036621094 68.9640534798681 68.9640534798681 68.9640534798681 1 1 0 3952 2.6206586073923 -1.19943217632093 0.407374103678426
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6884 M558T3708 M558.2T61.8 558.200012207031 558.200012207031 558.200012207031 61.8024089058433 61.7690431357558 61.8501716451439 3 2 1 [142][M]- [M-2H+Na]- 537.212 17 2.02666492104813 -2.17590048689322 0.234784332726746
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6885 M558T3535 M558.2T58.9 558.200012207031 558.200012207031 558.200012207031 58.9086888375764 58.7517435294873 58.9266008987241 3 2 1 [M-H]- 559.208 35 1.08771500553283 0.251738794532047 0.832651265203583
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6886 M558T3732 M558.2T62.2 558.200012207031 558.200012207031 558.200012207031 62.193361175757 62.193361175757 62.193361175757 1 0 1 3537 2.41648989123996 0.657735570649775 0.623418942604939
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6887 M558T2523 M558.2T42.1 558.200012207031 558.200012207031 558.200012207031 42.0531278044834 42.0531278044834 42.0531278044834 1 0 1 147 4.57306064326643 2.86983310193449 0.182677784680151
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6888 M558T3388 M558.2T56.5 558.200012207031 558.200012207031 558.200012207031 56.4648195460913 56.4648195460913 56.4648195460913 1 0 1 461 4.54073145933936 0.935149553551492 0.520537085236739
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6889 M558T3454 M558.3T57.6 558.299987792969 558.299987792969 558.299987792969 57.5661422598193 57.5661422598193 57.5661422598193 1 1 0 1255 2.04436522986191 -0.458893022473947 0.70557319849111
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6890 M558T2911 M558.3T48.5 558.299987792969 558.299987792969 558.299987792969 48.5190253696061 48.5190253696061 48.5190253696061 1 0 1 [141][M+2]- 2783 1.11346005463576 0.114430557149525 0.919927663982272
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6891 M558T3782 M558.3T63 558.299987792969 558.299987792969 558.299987792969 63.0288128162637 63.0288128162637 63.0288128162637 1 0 1 [M+Cl]- 523.333 88 3.18246079220416 1.59072697496287 0.33537794215088
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6892 M558T3681 M558.4T61.4 558.400024414062 558.400024414062 558.400024414062 61.3553114285312 61.3553114285312 61.3553114285312 1 1 0 613 Inf -1 0.5
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6893 M558T3840 M558.4T64 558.400024414062 558.400024414062 558.400024414062 64.0041248466944 64.0041248466944 64.0041248466944 1 0 1 3172 1.20325200345411 0.168702976792829 0.893494814445254
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6894 M558T2575 M558.4T42.9 558.400024414062 558.400024414062 558.400024414062 42.9138444711501 42.9138444711501 42.9138444711501 1 0 1 4080 5.03731343283582 0.786140426449666 0.567936089169959
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6895 M558T3115 M558.4T51.9 558.400024414062 558.400024414062 558.400024414062 51.9102169705209 51.9102169705209 51.9102169705209 1 1 0 5977 Inf -1 0.5
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6896 M558T3872 M558.5T64.5 558.5 558.5 558.5 64.5269600764688 64.5269600764688 64.5269600764688 1 1 0 2753 Inf -1 0.5
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6897 M558T3935 M558.5T65.6 558.5 558.5 558.5 65.587465806386 65.587465806386 65.587465806386 1 0 1 4170 Inf 1 0.5
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6898 M558T3339 M558.5T55.6 558.5 558.5 558.5 55.6426907807288 55.6426907807288 55.6426907807288 1 0 1 1123 2.8092262948491 0.606735227634021 0.635575336513006
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6899 M559T2723 M558.8T45.4 558.799987792969 558.799987792969 558.799987792969 45.3882792454419 45.3882792454419 45.3882792454419 1 0 1 2528 5.25008640710568 0.7952299962879 0.564889695604674
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6900 M559T2745 M558.8T45.8 558.799987792969 558.799987792969 558.799987792969 45.7567892601721 45.7567892601721 45.7567892601721 1 0 1 4608 Inf 1 0.5
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6901 M559T3269 M558.9T54.5 558.900024414062 558.900024414062 558.900024414062 54.4848733423112 54.4848733423112 54.4848733423112 1 1 0 5478 2.46175115451056 -0.550128781708273 0.660677691363825
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6902 M559T3500 M558.9T58.3 558.900024414062 558.900024414062 558.900024414062 58.3317289697945 58.3317289697945 58.3317289697945 1 1 0 3395 1.83363585804408 -0.399137545162257 0.737983934606098
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6903 M559T3356 M558.9T55.9 558.900024414062 558.900024414062 558.900024414062 55.9297776307842 55.9297776307842 55.9297776307842 1 1 0 699 7.65311555428221 -1.13994843948704 0.449917577669317
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6904 M559T2648 M558.9T44.1 558.900024414062 558.900024414062 558.900024414062 44.1278582178184 44.1278582178184 44.1278582178184 1 1 0 5681 1.74020463078071 -0.417470934966495 0.744290286281361
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6905 M559T3414 M559T56.9 559 559 559 56.9062208609975 56.8330184481852 56.9794232738098 2 1 1 890 1.56288427515694 -0.409091815214467 0.722232382693166
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6906 M559T3861 M559T64.3 559 559 559 64.3431672115357 64.3431672115357 64.3431672115357 1 1 0 21 2.77916473885549 -0.602371466351578 0.637438357506683
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6907 M559T3881 M559T64.7 559 559 559 64.6911140182902 64.6911140182902 64.6911140182902 1 1 0 2260 6.31718054575695 -0.831349830128246 0.553032363299022
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6908 M559T3252 M559T54.2 559 559 559 54.1990734623451 54.1990734623451 54.1990734623451 1 0 1 [M-H]- 560.01 34 1.60192185174081 0.449561716608779 0.73027995851936
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6909 M559T3609 M559T60.1 559 559 559 60.1499408556889 60.1499408556889 60.1499408556889 1 1 0 4674 Inf -1 0.5
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6910 M559T3800 M559T63.3 559 559 559 63.3277143462953 63.3277143462953 63.3277143462953 1 1 0 2843 1.45033914288675 0.255631852628412 0.824752380559759
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6911 M559T3978 M559T66.3 559 559 559 66.3040690513673 66.3040690513673 66.3040690513673 1 1 0 2065 Inf -1.42209468122185 0.39016032086079
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6912 M559T3362 M559T56 559 559 559 56.0329982680254 56.0329982680254 56.0329982680254 1 1 0 4667 6.20463117473345 -0.828143200952072 0.554070574906467
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6913 M559T2871 M559.1T47.8 559.100036621094 559.100036621094 559.100036621094 47.8422056405314 47.8422056405314 47.8422056405314 1 1 0 4771 1.59699248498392 0.36960860726542 0.758143576921717
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6914 M559T3816 M559.1T63.6 559.100036621094 559.100036621094 559.100036621094 63.5970006162998 63.5970006162998 63.5970006162998 1 1 0 46 73.7355372247991 -0.99561752550324 0.50138438293507
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6915 M559T3389 M559.2T56.5 559.200012207031 559.200012207031 559.200012207031 56.4904722617241 56.4904722617241 56.4904722617241 2 0 1 465 1.83132397818486 0.794979510233475 0.572343574267775
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6916 M559T3713 M559.2T61.9 559.200012207031 559.200012207031 559.200012207031 61.876040013584 61.876040013584 61.876040013584 1 1 0 [142][M+1]- 17 1.13309274705407 0.123756224187194 0.917864467679306
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6917 M559T2853 M559.2T47.6 559.200012207031 559.200012207031 559.200012207031 47.5559822779906 47.5559822779906 47.5559822779906 1 1 0 111 1.21699502859068 -0.201134843473421 0.867129686414886
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6918 M559T4022 M559.2T67 559.200012207031 559.200012207031 559.200012207031 67.0298242711538 67.0298242711538 67.0298242711538 1 1 0 5564 6.15730987784514 -0.842539709876767 0.548887571667693
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6919 M559T2658 M559.2T44.3 559.200012207031 559.200012207031 559.200012207031 44.3060679932296 44.3060679932296 44.3060679932296 1 0 1 4062 7.42427383101582 5.48706771263178 0.114011966937796
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6920 M559T2633 M559.3T43.9 559.299987792969 559.299987792969 559.299987792969 43.8872724426705 43.8872724426705 43.8872724426705 1 1 0 2680 2.74558532311958 -0.597388604572678 0.639580128463193
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6921 M559T3310 M559.3T55.2 559.299987792969 559.299987792969 559.299987792969 55.1710807974486 55.1710807974486 55.1710807974486 1 1 0 4 101.685518161809 -1.0041498398116 0.498655373135485
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6922 M559T2884 M559.4T48.1 559.400024414062 559.400024414062 559.400024414062 48.0624786659533 48.0469603938258 48.0779969380808 2 1 1 5503 1.10543360921197 -0.0707308149912463 0.950105017255258
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6923 M559T4069 M559.4T67.8 559.400024414062 559.400024414062 559.400024414062 67.8092446566765 67.8092446566765 67.8092446566765 1 1 0 3908 Inf -1 0.5
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6924 M559T3320 M559.4T55.3 559.400024414062 559.400024414062 559.400024414062 55.3289173675151 55.3289173675151 55.3289173675151 1 1 0 1153 313.133796059801 -0.996806275570198 0.50101811244423
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6925 M559T2710 M559.4T45.2 559.400024414062 559.400024414062 559.400024414062 45.1672414316353 45.1672414316353 45.1672414316353 1 1 0 225 2.34353525891112 -0.527296081913031 0.671391698426211
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6926 M559T3180 M559.4T53 559.400024414062 559.400024414062 559.400024414062 52.9993792316762 52.9993792316762 52.9993792316762 1 0 1 2207 Inf 1 0.5
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6927 M559T4182 M559.4T69.7 559.400024414062 559.400024414062 559.400024414062 69.6974427116147 69.6974427116147 69.6974427116147 1 1 0 6026 2.71572832849142 -0.72310565072558 0.570313914078619
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6928 M560T3892 M559.5T64.9 559.5 559.5 559.5 64.8713368401868 64.8713368401868 64.8713368401868 1 0 1 4911 9.03067320190829 1.37105054525218 0.391633717410781
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6929 M560T2686 M559.5T44.8 559.5 559.5 559.5 44.7613459684195 44.7613459684195 44.7613459684195 1 0 1 675 Inf 1 0.5
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6930 M560T2736 M559.5T45.6 559.5 559.5 559.5 45.6023451629537 45.6023451629537 45.6023451629537 1 0 1 4609 18.0600587749111 0.943184434248394 0.517839404364079
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6931 M560T3315_1 M559.5T55.3_1 559.5 559.5 559.5 55.2562486416525 55.2562486416525 55.2562486416525 1 0 1 559 Inf 1 0.5
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6932 M560T3986 M559.5T66.4 559.5 559.5 559.5 66.4280194132474 66.4280194132474 66.4280194132474 1 1 0 4509 3.58994968165491 -0.694985202866526 0.600290540254708
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6933 M560T2919 M559.6T48.6 559.600036621094 559.600036621094 559.600036621094 48.6455888101118 48.6455888101118 48.6455888101118 1 0 1 2784 Inf 1 0.5
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6934 M560T2891 M559.6T48.2 559.600036621094 559.600036621094 559.600036621094 48.1777245677541 48.1777245677541 48.1777245677541 1 0 1 3845 Inf 1 0.5
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6935 M560T4216 M559.6T70.3 559.600036621094 559.600036621094 559.600036621094 70.2686385510373 70.2686385510373 70.2686385510373 1 1 0 5335 Inf -1 0.5
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6936 M560T2928 M559.7T48.8 559.700012207031 559.700012207031 559.700012207031 48.8072215714548 48.8072215714548 48.8072215714548 1 0 1 3634 Inf 1 0.5
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6937 M560T2707 M559.7T45.1 559.700012207031 559.700012207031 559.700012207031 45.1160872895489 45.1160872895489 45.1160872895489 1 0 1 4879 Inf 1 0.5
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6938 M560T2631 M559.7T43.9 559.700012207031 559.700012207031 559.700012207031 43.8559283691516 43.8559283691516 43.8559283691516 1 0 1 2681 1.47092260271646 0.264763332675375 0.81889662711399
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6939 M560T2702 M559.8T45 559.799987792969 559.799987792969 559.799987792969 45.0304690481739 45.0304690481739 45.0304690481739 1 0 1 4857 Inf 1 0.5
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6940 M560T2905 M559.9T48.4 559.900024414062 559.900024414062 559.900024414062 48.4122953400694 48.4122953400694 48.4122953400694 1 0 1 3932 3.52383158677894 0.711613729077585 0.603808075341302
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6941 M560T2918 M559.9T48.6 559.900024414062 559.900024414062 559.900024414062 48.6251346470619 48.6251346470619 48.6251346470619 1 1 0 [M-2H+Na]- 538.912 56 9.63227677764591 -0.921758987721269 0.52310340405527
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6942 M560T2555 M559.9T42.6 559.900024414062 559.900024414062 559.900024414062 42.5889347480001 42.5889347480001 42.5889347480001 1 0 1 65 Inf 1.21702419711505 0.43787929491072
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6943 M560T3158 M559.9T52.6 559.900024414062 559.900024414062 559.900024414062 52.6374243127141 52.6374243127141 52.6374243127141 1 1 0 10 Inf -1 0.5
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6944 M560T2925 M560T48.8 560 560 560 48.7538850004983 48.7538850004983 48.7538850004983 1 1 0 60 3.21035193226835 -0.791025122651455 0.548439162336548
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6945 M560T2909 M560T48.5 560 560 560 48.4902198805205 48.4902198805205 48.4902198805205 1 0 1 2785 23.1864737311834 1.48428739514832 0.375888129341835
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6946 M560T2575 M560T42.9 560 560 560 42.9138444711501 42.9138444711501 42.9138444711501 1 0 1 4081 2.55201151291673 5.17624216859313 0.119595605164549
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6947 M560T3507 M560T58.4 560 560 560 58.4452863170151 58.4452863170151 58.4452863170151 1 0 1 [M-H]- 561.012 76 1.21944286689327 -0.250836333200359 0.825447599106188
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6948 M560T3847 M560.1T64.1 560.100036621094 560.100036621094 560.100036621094 64.1242125878931 64.0866409931078 64.1617841826784 2 1 1 [143][M]- [M-H]- 561.11 21 1.57390613289503 0.405778286702302 0.748104646090953
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6950 M560T3953 M560.1T65.9 560.100036621094 560.100036621094 560.100036621094 65.8803868774642 65.8803868774642 65.8803868774642 1 1 0 5463 1.54083070729231 -1.13465398387389 0.413533331088778
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6951 M560T3867 M560.1T64.5 560.100036621094 560.100036621094 560.100036621094 64.4542135019796 64.4542135019796 64.4542135019796 1 1 0 1421 5.17276487135329 -0.858658975635954 0.538709193989491
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6952 M560T2942 M560.1T49 560.100036621094 560.100036621094 560.100036621094 49.0390862979343 49.0390862979343 49.0390862979343 1 1 0 [M-H]- 561.109 57 3.33702667575344 -0.803659768990885 0.567376426305606
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6953 M560T3640 M560.2T60.7 560.200012207031 560.200012207031 560.200012207031 60.672923879347 60.6478420395625 60.7370569345947 4 2 2 [M+Cl]- 525.229 59 1.37846296161964 -0.774084838845024 0.566776464785589
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6954 M560T3856 M560.2T64.3 560.200012207031 560.200012207031 560.200012207031 64.2702681302482 64.2702681302482 64.2702681302482 1 1 0 [M-H-C3H2]- 599.212 [M-H-C2N]- 599.212 [M-H-F2]- 599.212 21 1.68586152342955 -0.442313541603977 0.71141895439618
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6955 M560T2953 M560.3T49.2 560.299987792969 560.299987792969 560.299987792969 49.2161434872003 49.2161434872003 49.2161434872003 1 0 1 3203 Inf 1 0.5
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6956 M560T3315_2 M560.4T55.3_2 560.400024414062 560.400024414062 560.400024414062 55.2500715017082 55.2500715017082 55.2500715017082 1 1 0 [144][M]- 4 65.0329920758386 -0.989857185771077 0.503235922218362
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6957 M560T4119 M560.4T68.6 560.400024414062 560.400024414062 560.400024414062 68.6486319434924 68.6486319434924 68.6486319434924 1 1 0 4571 6.58180572432238 -0.838443929388931 0.55074434003085
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6958 M560T4073 M560.5T67.9 560.5 560.5 560.5 67.8880238713253 67.8880238713253 67.8880238713253 1 1 0 3909 Inf -1 0.5
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6959 M560T2963 M560.5T49.4 560.5 560.5 560.5 49.387798558049 49.387798558049 49.387798558049 1 1 0 3236 Inf -1.15070490680589 0.455463366761567
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6960 M561T2952 M560.6T49.2 560.600036621094 560.600036621094 560.600036621094 49.1949847078354 49.1949847078354 49.1949847078354 1 1 0 3175 Inf -1 0.5
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6961 M561T2551 M560.8T42.5 560.799987792969 560.799987792969 560.799987792969 42.5107014146668 42.5107014146668 42.5107014146668 1 0 1 5169 Inf 1 0.5
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6962 M561T2705 M560.9T45.1 560.900024414062 560.900024414062 560.900024414062 45.090055008527 45.090055008527 45.090055008527 1 1 0 4880 Inf -1 0.5
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6963 M561T3500 M560.9T58.3 560.900024414062 560.900024414062 560.900024414062 58.3265122292451 58.3265122292451 58.3265122292451 1 0 1 3396 1.12321312660693 0.081931015629555 0.942251270305225
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6964 M561T3427 M561T57.1 561 561 561 57.1090612789796 57.1090612789796 57.1090612789796 1 0 1 158 4.09632408300305 2.19448398817784 0.15943002792565
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6965 M561T3459 M561T57.7 561 561 561 57.654467057015 57.654467057015 57.654467057015 1 0 1 1296 Inf 1 0.5
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6966 M561T3853 M561.1T64.2 561.100036621094 561.100036621094 561.100036621094 64.2143394697321 64.2143394697321 64.2143394697321 1 0 1 [143][M+1]- 1422 3.99327910466673 0.788222707526072 0.560755410235664
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6967 M561T3928 M561.1T65.5 561.100036621094 561.100036621094 561.100036621094 65.4626238885315 65.4626238885315 65.4626238885315 1 1 0 3021 Inf -1 0.5
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6968 M561T3647 M561.1T60.8 561.100036621094 561.100036621094 561.100036621094 60.7880664087671 60.7880664087671 60.7880664087671 1 1 0 24 14.2626010728609 -1.63205108147475 0.344521685625315
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6969 M561T3400 M561.2T56.7 561.200012207031 561.200012207031 561.200012207031 56.6702028061549 56.6702028061549 56.6702028061549 2 0 1 1306 1.07400854188533 -0.123081907078946 0.921799277785866
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6970 M561T2911 M561.2T48.5 561.200012207031 561.200012207031 561.200012207031 48.5225151963109 48.5225151963109 48.5225151963109 1 1 0 56 4.05083150139541 -0.990475838926119 0.502376811991664
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6971 M561T3648 M561.2T60.8 561.200012207031 561.200012207031 561.200012207031 60.8034663219623 60.8034663219623 60.8034663219623 1 0 1 [M+Cl]- 526.233 24 1.80964750527369 0.494142160889925 0.695552846679002
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6972 M561T4119 M561.2T68.7 561.200012207031 561.200012207031 561.200012207031 68.6550448101035 68.6550448101035 68.6550448101035 1 0 1 4544 1.19680046539035 0.271429165120133 0.822454539426316
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6973 M561T4294 M561.3T71.6 561.299987792969 561.299987792969 561.299987792969 71.5660163932922 71.4998870460506 71.6321457405337 2 1 1 6146 2.09643718579174 0.824149009778801 0.512882375447085
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6974 M561T3634 M561.3T60.6 561.299987792969 561.299987792969 561.299987792969 60.5654924402783 60.5654924402783 60.5654924402783 1 0 1 2371 1.93681594502156 0.740570594175196 0.589851729999647
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6975 M561T3667 M561.3T61.1 561.299987792969 561.299987792969 561.299987792969 61.1204224959539 61.1204224959539 61.1204224959539 1 0 1 [M-H]- 562.31 2 1.56030831742409 0.34828016455074 0.781469376066699
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6976 M561T3923 M561.4T65.4 561.400024414062 561.400024414062 561.400024414062 65.3783266845239 65.3261941974717 65.4304591715761 2 1 1 2960 2.27490247093607 -0.551896733869918 0.674557919544727
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6977 M561T3481 M561.4T58 561.400024414062 561.400024414062 561.400024414062 58.0162236857315 58.0162236857315 58.0162236857315 1 1 0 1811 1.73335701383117 -0.366471209840559 0.7566753575031
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6978 M561T3317 M561.4T55.3 561.400024414062 561.400024414062 561.400024414062 55.2763665058289 55.2763665058289 55.2763665058289 1 1 0 [144][M+1]- 506 34.0115451390895 -1.02422890373108 0.492359527624945
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6979 M561T4312 M561.4T71.9 561.400024414062 561.400024414062 561.400024414062 71.8668957405337 71.8668957405337 71.8668957405337 1 0 1 6129 3.79550098738333 1.04291019375211 0.485457001896813
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6980 M561T3857 M561.4T64.3 561.400024414062 561.400024414062 561.400024414062 64.2904575688701 64.2904575688701 64.2904575688701 1 1 0 21 Inf -1 0.5
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6981 M561T3149 M561.4T52.5 561.400024414062 561.400024414062 561.400024414062 52.480807721958 52.480807721958 52.480807721958 1 1 0 3048 2.80012585547604 -0.605423709868133 0.636134026830782
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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6982 M561T3502 M561.4T58.4 561.400024414062 561.400024414062 561.400024414062 58.3686104898001 58.3686104898001 58.3686104898001 1 0 1 3362 Inf 1.81238468221113 0.320979152535135
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6983 M561T2951 M561.4T49.2 561.400024414062 561.400024414062 561.400024414062 49.1899670356545 49.1899670356545 49.1899670356545 1 0 1 3204 Inf 1 0.5
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6984 M561T2751 M561.4T45.8 561.400024414062 561.400024414062 561.400024414062 45.8427816733374 45.8427816733374 45.8427816733374 1 1 0 4344 Inf -4.61979501949726 0.135708913135447
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6985 M562T4136_1 M561.5T68.9_1 561.5 561.5 561.5 68.937955126004 68.937955126004 68.937955126004 1 1 0 99 7.39471178848704 -1.03901255455984 0.480689796380995
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6986 M562T4299 M561.5T71.7 561.5 561.5 561.5 71.6563870460506 71.6563870460506 71.6563870460506 1 1 0 325 1.69909909909897 -0.5078734158169 0.662149977838646
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6987 M562T3959 M561.5T66 561.5 561.5 561.5 65.9830969659619 65.9830969659619 65.9830969659619 1 1 0 231 Inf -2.36814991513515 0.254365581373261
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6988 M562T2849 M561.6T47.5 561.600036621094 561.600036621094 561.600036621094 47.4782158020951 47.4782158020951 47.4782158020951 1 1 0 5637 Inf -1.79283757252042 0.323907624400596
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6989 M562T4332 M561.6T72.2 561.600036621094 561.600036621094 561.600036621094 72.2059624072004 72.2059624072004 72.2059624072004 1 0 1 348 1.56896551724147 0.3058047264185 0.793098769077596
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6990 M562T2625 M561.6T43.7 561.600036621094 561.600036621094 561.600036621094 43.7474795776171 43.7474795776171 43.7474795776171 1 1 0 2682 Inf -1.36959794223217 0.401496940113886
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6991 M562T3046 M561.6T50.8 561.600036621094 561.600036621094 561.600036621094 50.7592682682344 50.7592682682344 50.7592682682344 1 1 0 4955 Inf -1 0.5
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6992 M562T2729 M561.8T45.5 561.799987792969 561.799987792969 561.799987792969 45.4910073783904 45.4910073783904 45.4910073783904 1 1 0 2529 Inf -1 0.5
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6993 M562T2611 M561.8T43.5 561.799987792969 561.799987792969 561.799987792969 43.5112995766058 43.5112995766058 43.5112995766058 1 1 0 4020 Inf -1 0.5
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6994 M562T3359 M561.8T56 561.799987792969 561.799987792969 561.799987792969 55.9771730376966 55.9771730376966 55.9771730376966 1 1 0 689 Inf -1 0.5
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6995 M562T3181 M561.8T53 561.799987792969 561.799987792969 561.799987792969 53.0229941104091 53.0229941104091 53.0229941104091 1 0 1 2208 6.18823892157376 0.827666131232239 0.554225255607027
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6996 M562T2532 M561.9T42.2 561.900024414062 561.900024414062 561.900024414062 42.2071829099392 42.2071829099392 42.2071829099392 1 1 0 5613 2.51757287503766 -0.899946976690728 0.47021551181881
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6997 M562T2694 M561.9T44.9 561.900024414062 561.900024414062 561.900024414062 44.897354881768 44.897354881768 44.897354881768 1 0 1 5708 2.30384319898047 0.519146673330224 0.6752995221643
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6998 M562T2963 M561.9T49.4 561.900024414062 561.900024414062 561.900024414062 49.387798558049 49.387798558049 49.387798558049 1 1 0 3232 Inf -2.4032422447972 0.251026846990559
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6999 M562T2648 M561.9T44.1 561.900024414062 561.900024414062 561.900024414062 44.1278582178184 44.1278582178184 44.1278582178184 1 1 0 5682 Inf -1 0.5
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7000 M562T3508 M562T58.5 562 562 562 58.4631453812742 58.4631453812742 58.4631453812742 1 1 0 4534 Inf -1 0.5
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7001 M562T3575 M562T59.6 562 562 562 59.5899535738399 59.5899535738399 59.5899535738399 1 0 1 1681 Inf 1.51743315091907 0.37094651444866
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7002 M562T3598 M562T60 562 562 562 59.9688500880854 59.9688500880854 59.9688500880854 1 1 0 1460 Inf -1 0.5
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7003 M562T3179 M562T53 562 562 562 52.9765462364708 52.9765462364708 52.9765462364708 1 1 0 796 1.70909114359461 -0.36302249138053 0.759716131843887
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7004 M562T2561 M562.1T42.7 562.100036621094 562.100036621094 562.100036621094 42.6791111378167 42.6791111378167 42.6791111378167 1 0 1 3064 1.16707339771419 0.230417456989373 0.847131983248488
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7005 M562T4042 M562.1T67.4 562.100036621094 562.100036621094 562.100036621094 67.3616839806232 67.3616839806232 67.3616839806232 1 1 0 5313 1.8129637691916 -0.3926473530047 0.741644004798829
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7006 M562T2834 M562.1T47.2 562.100036621094 562.100036621094 562.100036621094 47.2334779756979 47.2334779756979 47.2334779756979 1 0 1 4589 1.86858002856848 -0.463818662962108 0.722991167210518
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7007 M562T3510 M562.1T58.5 562.100036621094 562.100036621094 562.100036621094 58.5071429576591 58.5071429576591 58.5071429576591 1 0 1 4535 3.16165721291809 1.33166247229932 0.32089054226196
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7008 M562T2812 M562.1T46.9 562.100036621094 562.100036621094 562.100036621094 46.8698722049404 46.8698722049404 46.8698722049404 1 0 1 3310 1.75497073485847 0.697596567019799 0.605235002384704
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7009 M562T3199 M562.2T53.3 562.200012207031 562.200012207031 562.200012207031 53.3140261392106 53.3140261392106 53.3140261392106 1 0 1 30 3.3379627656455 1.30269571387926 0.33796555697278
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7010 M562T3427 M562.2T57.1 562.200012207031 562.200012207031 562.200012207031 57.1153840088599 57.1153840088599 57.1153840088599 1 1 0 5272 1.48674234046768 0.848264122243004 0.529523493775576
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7011 M562T4114 M562.2T68.6 562.200012207031 562.200012207031 562.200012207031 68.5748676214309 68.5748676214309 68.5748676214309 1 0 1 2317 2.02125547323764 -0.58949317873311 0.620987546014694
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7012 M562T2913 M562.3T48.5 562.299987792969 562.299987792969 562.299987792969 48.5418896657809 48.5355978396134 48.5481814919484 2 2 0 [M+Cl]- 527.325 56 28.1927961622173 -1.46001740342646 0.381324700364151
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7013 M562T4301 M562.3T71.7 562.299987792969 562.299987792969 562.299987792969 71.6771566931594 71.6771566931594 71.6771566931594 1 1 0 337 1.21530249110321 -0.247452041641893 0.841681711403024
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7014 M562T3638 M562.3T60.6 562.299987792969 562.299987792969 562.299987792969 60.6349610792105 60.6349610792105 60.6349610792105 1 1 0 2846 3.21662855498919 -0.658048875731579 0.614524729051418
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7015 M562T3771 M562.3T62.8 562.299987792969 562.299987792969 562.299987792969 62.8428895919912 62.8428895919912 62.8428895919912 1 0 1 941 Inf 1.8160938886324 0.320428907828322
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7016 M562T2526 M562.3T42.1 562.299987792969 562.299987792969 562.299987792969 42.1028495766058 42.1028495766058 42.1028495766058 1 1 0 5960 1.8364910112036 -0.653618509288396 0.590005491532467
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7017 M562T3360 M562.4T56 562.400024414062 562.400024414062 562.400024414062 56.0029966944767 56.0029966944767 56.0029966944767 1 1 0 698 6.47499026809904 -0.83565242049453 0.551643252855618
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7018 M562T3210 M562.4T53.5 562.400024414062 562.400024414062 562.400024414062 53.4989690772055 53.4989690772055 53.4989690772055 1 0 1 4334 17.2176215435456 0.940335292020207 0.5187261739719
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7019 M562T2789 M562.4T46.5 562.400024414062 562.400024414062 562.400024414062 46.4843534177973 46.4843534177973 46.4843534177973 1 1 0 927 22.3366568978842 -2.43426725652291 0.24296767515886
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7020 M562T4215 M562.4T70.3 562.400024414062 562.400024414062 562.400024414062 70.2524704926843 70.2524704926843 70.2524704926843 1 0 1 5336 7.22846728500015 0.85352916772546 0.545916184375861
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7021 M562T4115 M562.4T68.6 562.400024414062 562.400024414062 562.400024414062 68.5762292856048 68.5762292856048 68.5762292856048 1 0 1 [M+Cl]- 527.43 43 1.78490189003776 0.383638566807939 0.746768746006139
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7022 M562T4136_2 M562.5T68.9_2 562.5 562.5 562.5 68.9374216510452 68.9374216510452 68.9374216510452 1 1 0 [M+Cl+NaCOOH]- 459.535 [M-H+NaCOOH]- 495.51 99 4.07446715972944 -1.27786860394402 0.373115060913586
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7023 M562T3829 M562.5T63.8 562.5 562.5 562.5 63.8201795634223 63.8201795634223 63.8201795634223 1 0 1 1895 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7024 M563T3697 M562.6T61.6 562.600036621094 562.600036621094 562.600036621094 61.6160695906516 61.6160695906516 61.6160695906516 1 1 0 5487 3.5340196753921 -0.964328605006187 0.497320731997807
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7025 M563T2843 M562.8T47.4 562.799987792969 562.799987792969 562.799987792969 47.3916084829654 47.3916084829654 47.3916084829654 2 0 1 5531 Inf 1.04032552410651 0.487419319252146
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7026 M563T2623 M562.8T43.7 562.799987792969 562.799987792969 562.799987792969 43.7209117884646 43.7209117884646 43.7209117884646 1 1 0 2683 3.48342353879751 -0.68524886791587 0.603972594326049
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7027 M563T2956 M562.9T49.3 562.900024414062 562.900024414062 562.900024414062 49.2660849033677 49.2660849033677 49.2660849033677 1 0 1 3205 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7028 M563T3713 M563T61.9 563 563 563 61.876040013584 61.7394357187606 61.9850414109447 3 1 2 17 3.01332785201407 -0.763330683528136 0.584848744005895
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7029 M563T3233 M563T53.9 563 563 563 53.8837948056497 53.8837948056497 53.8837948056497 1 1 0 2693 1.39750781136745 -0.753694339593865 0.54209723167905
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7030 M563T3608 M563T60.1 563 563 563 60.1271780204571 60.1271780204571 60.1271780204571 1 1 0 127 9.14101618331777 -1.14083122205469 0.452461940319676
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7031 M563T4170 M563T69.5 563 563 563 69.4963083146132 69.4963083146132 69.4963083146132 1 0 1 5935 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7032 M563T3205 M563.1T53.4 563.100036621094 563.100036621094 563.100036621094 53.4197437790151 53.4197437790151 53.4197437790151 1 0 1 4335 5.80636700737705 4.53079173289836 0.12729321278659
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7033 M563T4142 M563.2T69 563.200012207031 563.200012207031 563.200012207031 69.0401974996345 69.0401974996345 69.0401974996345 1 0 1 4246 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7034 M563T4130 M563.2T68.8 563.200012207031 563.200012207031 563.200012207031 68.8389740321595 68.8389740321595 68.8389740321595 1 0 1 1515 3.32181436622116 0.669290034087729 0.610115221818589
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7035 M563T3433 M563.2T57.2 563.200012207031 563.200012207031 563.200012207031 57.2132587893329 57.2132587893329 57.2132587893329 1 0 1 4919 1.23618596115953 0.266195519581354 0.828289003768757
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7036 M563T3240 M563.2T54 563.200012207031 563.200012207031 563.200012207031 53.9997241796059 53.9997241796059 53.9997241796059 1 0 1 3470 1.04628550560203 -0.0977489185636504 0.937904893643914
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7037 M563T3214 M563.2T53.6 563.200012207031 563.200012207031 563.200012207031 53.5721125297962 53.5721125297962 53.5721125297962 1 0 1 4285 1.73921174261184 0.368462762253795 0.755516743628763
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7038 M563T3752 M563.3T62.5 563.299987792969 563.299987792969 563.299987792969 62.5312392052914 62.5312392052914 62.5312392052914 1 0 1 [M+Cl]- 528.331 14 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7039 M563T3578 M563.3T59.6 563.299987792969 563.299987792969 563.299987792969 59.629028166437 59.629028166437 59.629028166437 1 0 1 [M-H-H2O]- 582.31 1628 1.66345753798602 0.341829923785399 0.771209951588868
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7040 M563T3469 M563.4T57.8 563.400024414062 563.400024414062 563.400024414062 57.809151155075 57.780968787484 57.8373335226661 2 1 1 66 22.7316313352423 -1.03790997060519 0.488152316479308
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7041 M563T3653 M563.4T60.9 563.400024414062 563.400024414062 563.400024414062 60.8809514467087 60.8809514467087 60.8809514467087 1 1 0 2411 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7042 M563T3696 M563.4T61.6 563.400024414062 563.400024414062 563.400024414062 61.5931237225614 61.5931237225614 61.5931237225614 1 0 1 614 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7043 M563T3070 M563.4T51.2 563.400024414062 563.400024414062 563.400024414062 51.1608945821892 51.1608945821892 51.1608945821892 1 0 1 2441 1.03739557290174 -0.0259529474900897 0.98165439468609
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7044 M563T3822 M563.4T63.7 563.400024414062 563.400024414062 563.400024414062 63.6942170087623 63.6942170087623 63.6942170087623 1 1 0 [M-2H+Na]- 542.429 [M-H-CH2]- 578.411 33 1.15876868246692 0.103729514217096 0.927027580781896
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7045 M563T4335 M563.4T72.3 563.400024414062 563.400024414062 563.400024414062 72.2581290738671 72.2581290738671 72.2581290738671 1 0 1 316 6.88157894736802 0.845800948752992 0.548383659126882
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7046 M563T3807 M563.4T63.5 563.400024414062 563.400024414062 563.400024414062 63.4513252462169 63.4513252462169 63.4513252462169 1 0 1 3719 1.51087684966079 0.281966422301028 0.807976802033842
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7047 M563T2624 M563.4T43.7 563.400024414062 563.400024414062 563.400024414062 43.7374745074099 43.7374745074099 43.7374745074099 1 0 1 2612 3.80782636528071 0.713199155546065 0.593530125099624
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7048 M563T4135 M563.4T68.9 563.400024414062 563.400024414062 563.400024414062 68.9118592356197 68.9118592356197 68.9118592356197 1 1 0 [M-H-H2S]- 598.406 99 2.46044419743398 -0.714177881558402 0.56608709113208
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7049 M564T2553_1 M563.5T42.5_1 563.5 563.5 563.5 42.5486944711501 42.5486944711501 42.5486944711501 1 0 1 3092 2.34206219312606 0.526998164923329 0.671533776881308
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7050 M564T2822 M563.5T47 563.5 563.5 563.5 47.0390367231235 47.0390367231235 47.0390367231235 1 1 0 3311 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7051 M564T4150 M563.5T69.2 563.5 563.5 563.5 69.1729100459197 69.1729100459197 69.1729100459197 1 1 0 6049 1.04461861155566 -0.0361577795862257 0.974973457811334
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7052 M564T2553_2 M563.6T42.5_2 563.600036621094 563.600036621094 563.600036621094 42.5462495766058 42.5462495766058 42.5462495766058 1 1 0 3093 Inf -3.0479776024738 0.201821776436814
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7053 M564T3116 M564T51.9 564 564 564 51.9267528846444 51.9267528846444 51.9267528846444 1 0 1 5034 2.51822743071981 0.780461728025652 0.577065333445028
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7054 M564T2880 M564T48 564 564 564 47.9945840303785 47.9945840303785 47.9945840303785 1 0 1 4722 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7055 M564T2714 M564T45.2 564 564 564 45.2335100467561 45.2335100467561 45.2335100467561 1 1 0 2530 Inf -1.47504145156489 0.379279913423598
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7056 M564T3701 M564.1T61.7 564.100036621094 564.100036621094 564.100036621094 61.6872549806172 61.6872549806172 61.6872549806172 1 0 1 4193 1.04813008380003 0.0470451043334846 0.969567686522717
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7057 M564T3769 M564.1T62.8 564.100036621094 564.100036621094 564.100036621094 62.8174773684723 62.8174773684723 62.8174773684723 1 0 1 955 1.69691153025297 0.690076645893222 0.611844936847906
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7058 M564T3443 M564.2T57.4 564.200012207031 564.200012207031 564.200012207031 57.3776433320745 57.3125622161082 57.4427244480407 2 1 1 [145][M]- 62 1.36808633181212 1.32726765020923 0.395955456483222
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7059 M564T4167 M564.2T69.4 564.200012207031 564.200012207031 564.200012207031 69.4436940588716 69.4436940588716 69.4436940588716 1 0 1 5936 1.08558212405345 0.0765670596101253 0.950311396524349
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7060 M564T3265 M564.3T54.4 564.299987792969 564.299987792969 564.299987792969 54.4083566198248 54.4083566198248 54.4083566198248 1 0 1 3610 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7061 M564T3498 M564.3T58.3 564.299987792969 564.299987792969 564.299987792969 58.2921002917181 58.2921002917181 58.2921002917181 1 0 1 3397 1.96296909196917 0.437115413956507 0.717112922648422
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7062 M564T3049 M564.3T50.8 564.299987792969 564.299987792969 564.299987792969 50.8200476434968 50.8200476434968 50.8200476434968 1 0 1 3501 1.27363880872156 0.476406879519919 0.684755220905279
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7063 M564T3866 M564.3T64.4 564.299987792969 564.299987792969 564.299987792969 64.4279173196712 64.4279173196712 64.4279173196712 1 1 0 21 1.3159770206641 0.332616099243132 0.794524935477479
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7064 M564T2761 M564.3T46 564.299987792969 564.299987792969 564.299987792969 46.0132852461969 46.0132852461969 46.0132852461969 1 0 1 176 1.8532036758412 0.441102934450698 0.726428989787187
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7065 M564T4147 M564.3T69.1 564.299987792969 564.299987792969 564.299987792969 69.1207024102231 69.1207024102231 69.1207024102231 1 1 0 189 1.98414077524326 -0.776278222415419 0.563225511774212
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7066 M564T3143 M564.3T52.4 564.299987792969 564.299987792969 564.299987792969 52.3766518541813 52.3766518541813 52.3766518541813 1 1 0 3124 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7067 M564T2823 M564.3T47.1 564.299987792969 564.299987792969 564.299987792969 47.05087412726 47.05087412726 47.05087412726 1 0 1 3328 22.8176079944652 1.20526678514971 0.439982670461415
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7068 M564T3467 M564.3T57.8 564.299987792969 564.299987792969 564.299987792969 57.780968787484 57.780968787484 57.780968787484 1 1 0 66 Inf -1.06878661118986 0.4788403552078
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7069 M564T4138 M564.4T69 564.400024414062 564.400024414062 564.400024414062 68.9640534798681 68.9440961100042 69.0143366635432 3 1 2 [146][M]- [M+Cl]- 529.431 99 1.01354519108472 0.0535070586558501 0.962500239379098
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7070 M564T4461 M564.4T74.3 564.400024414062 564.400024414062 564.400024414062 74.3428870460506 74.3428870460506 74.3428870460506 1 1 0 6243 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7071 M564T3837 M564.4T63.9 564.400024414062 564.400024414062 564.400024414062 63.9452645690482 63.9452645690482 63.9452645690482 1 1 0 3158 3.13968290912787 -2.1326879931862 0.276571045763222
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7072 M564T3288 M564.4T54.8 564.400024414062 564.400024414062 564.400024414062 54.7925197533959 54.7925197533959 54.7925197533959 1 0 1 38 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7073 M564T3737 M564.4T62.3 564.400024414062 564.400024414062 564.400024414062 62.2900359088911 62.2900359088911 62.2900359088911 1 0 1 5202 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7074 M564T4284 M564.5T71.4 564.5 564.5 564.5 71.3955537127173 71.3955537127173 71.3955537127173 1 1 0 347 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7075 M564T4151 M564.5T69.2 564.5 564.5 564.5 69.1806808927375 69.1806808927375 69.1806808927375 1 0 1 6050 13.3807757197368 0.925190234003727 0.524685053552949
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7076 M564T4208 M564.5T70.1 564.5 564.5 564.5 70.1381993525153 70.1381993525153 70.1381993525153 1 1 0 140 4.28878038377463 -0.991388557287725 0.479934987941073
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7077 M565T2853 M564.6T47.6 564.600036621094 564.600036621094 564.600036621094 47.5559822779906 47.5559822779906 47.5559822779906 1 1 0 4252 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7078 M565T4413 M564.6T73.5 564.600036621094 564.600036621094 564.600036621094 73.5473025149842 73.5473025149842 73.5473025149842 1 0 1 6123 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7079 M565T2709 M564.8T45.1 564.799987792969 564.799987792969 564.799987792969 45.1434640030725 45.1434640030725 45.1434640030725 1 0 1 225 1.2351483256404 0.217851991640737 0.856334147804266
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7080 M565T2964 M564.8T49.4 564.799987792969 564.799987792969 564.799987792969 49.4031716032574 49.4031716032574 49.4031716032574 1 1 0 3281 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7081 M565T2632 M564.8T43.9 564.799987792969 564.799987792969 564.799987792969 43.8605261029407 43.8605261029407 43.8605261029407 1 1 0 2684 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7082 M565T2541 M564.9T42.3 564.900024414062 564.900024414062 564.900024414062 42.3424714460137 42.3424714460137 42.3424714460137 1 1 0 5562 23.3398345306458 -2.69011721616503 0.220784548059755
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7083 M565T2686 M564.9T44.8 564.900024414062 564.900024414062 564.900024414062 44.7613459684195 44.7613459684195 44.7613459684195 1 0 1 676 1.66356804588529 0.372852195665089 0.761474046336375
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7084 M565T2972 M564.9T49.5 564.900024414062 564.900024414062 564.900024414062 49.5334252292089 49.5334252292089 49.5334252292089 1 1 0 3282 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7085 M565T3172 M565T52.9 565 565 565 52.8716986018717 52.8716986018717 52.8716986018717 1 1 0 797 Inf -4.21453447532825 0.14831074901617
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7086 M565T3426_1 M565.1T57.1_1 565.100036621094 565.100036621094 565.100036621094 57.0975984460567 57.0975984460567 57.0975984460567 1 1 0 5273 2.92901776875393 -1.20891139137854 0.355013023071803
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7087 M565T3584 M565.1T59.7 565.100036621094 565.100036621094 565.100036621094 59.7324508050054 59.7324508050054 59.7324508050054 1 0 1 1706 Inf 5.22635624510993 0.120354819519153
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7088 M565T3869 M565.2T64.5 565.200012207031 565.200012207031 565.200012207031 64.477130406166 64.4542135019796 64.6726318582847 3 1 2 [M-H-CO]- 594.208 21 6.62643792965567 0.967257734109082 0.507528686596028
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7089 M565T3444 M565.2T57.4 565.200012207031 565.200012207031 565.200012207031 57.3958000162103 57.3958000162103 57.3958000162103 1 0 1 [145][M+1]- 62 1.29972614798454 2.45731890559658 0.216908838988825
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7090 M565T3966 M565.2T66.1 565.200012207031 565.200012207031 565.200012207031 66.1066461909734 66.1066461909734 66.1066461909734 1 0 1 2066 2.86636292597866 0.614786054560489 0.632168912228956
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7091 M565T4015 M565.2T66.9 565.200012207031 565.200012207031 565.200012207031 66.9213160700182 66.9213160700182 66.9213160700182 1 0 1 5972 3.6527035040102 1.11845821396915 0.418143323955823
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7092 M565T4174 M565.2T69.6 565.200012207031 565.200012207031 565.200012207031 69.5665514270307 69.5665514270307 69.5665514270307 1 1 0 4375 3.58773654617117 -0.971205645702271 0.494409313560183
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7093 M565T4432 M565.2T73.9 565.200012207031 565.200012207031 565.200012207031 73.8603025149842 73.8603025149842 73.8603025149842 1 0 1 6224 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7094 M565T3426_2 M565.3T57.1_2 565.299987792969 565.299987792969 565.299987792969 57.1024130073816 57.1024130073816 57.1024130073816 1 0 1 5274 2.15451072167909 0.557109207530964 0.653002854924903
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7095 M565T4138 M565.4T69 565.400024414062 565.400024414062 565.400024414062 68.9703791674612 68.9636800622515 69.0162711786498 3 2 1 [146][M+1]- 99 1.35466833674805 -2.3811537561494 0.155073698238765
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7096 M565T3272 M565.4T54.5 565.400024414062 565.400024414062 565.400024414062 54.537605802131 54.537605802131 54.537605802131 1 1 0 5007 2.42821883608806 -0.98225517630948 0.480136232312249
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7097 M565T3792 M565.4T63.2 565.400024414062 565.400024414062 565.400024414062 63.2067818595567 63.2067818595567 63.2067818595567 1 0 1 5521 6.77558208330303 0.843276367325021 0.549192396002205
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7098 M565T3391 M565.4T56.5 565.400024414062 565.400024414062 565.400024414062 56.5168534750467 56.5168534750467 56.5168534750467 1 1 0 497 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7099 M565T2747 M565.4T45.8 565.400024414062 565.400024414062 565.400024414062 45.7754061239891 45.7754061239891 45.7754061239891 1 1 0 4343 13.8866340162771 -0.925591499738259 0.523312424419017
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7100 M565T2922 M565.4T48.7 565.400024414062 565.400024414062 565.400024414062 48.7022458414622 48.7022458414622 48.7022458414622 1 1 0 2859 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7101 M565T2844 M565.4T47.4 565.400024414062 565.400024414062 565.400024414062 47.3920502264559 47.3920502264559 47.3920502264559 1 0 1 5532 Inf 6.55811951138551 0.096331496953133
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7102 M566T2850 M565.5T47.5 565.5 565.5 565.5 47.4964921445892 47.4964921445892 47.4964921445892 1 0 1 5773 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7103 M566T2522 M565.5T42 565.5 565.5 565.5 42.0270444711501 42.0270444711501 42.0270444711501 1 0 1 5061 6.74647887323944 0.842568867694167 0.54941928693541
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7104 M566T2802 M565.5T46.7 565.5 565.5 565.5 46.6923993484446 46.6923993484446 46.6923993484446 1 0 1 5192 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7105 M566T3606 M565.5T60.1 565.5 565.5 565.5 60.0980487373986 60.0980487373986 60.0980487373986 1 1 0 1439 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7106 M566T2611 M565.5T43.5 565.5 565.5 565.5 43.5137444711501 43.5137444711501 43.5137444711501 1 0 1 4021 4.27046263345171 0.745662323383238 0.581866547851481
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7107 M566T2558 M565.5T42.6 565.5 565.5 565.5 42.6269444711501 42.6269444711501 42.6269444711501 1 0 1 3094 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7108 M566T3277 M565.9T54.6 565.900024414062 565.900024414062 565.900024414062 54.6093088228788 54.6093088228788 54.6093088228788 1 0 1 1250 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7109 M566T2712 M566T45.2 566 566 566 45.2077855778326 45.2077855778326 45.2077855778326 1 1 0 2531 Inf -1.33034611457266 0.410351132305482
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7110 M566T2788 M566T46.5 566 566 566 46.4670382320035 46.4670382320035 46.4670382320035 1 0 1 928 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7111 M566T2705 M566.1T45.1 566.100036621094 566.100036621094 566.100036621094 45.0887281424159 45.0887281424159 45.0887281424159 1 0 1 4881 8.88376601837016 0.881865718560306 0.536959228317556
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7112 M566T3837 M566.1T64 566.100036621094 566.100036621094 566.100036621094 63.9515740439647 63.9515740439647 63.9515740439647 1 0 1 3173 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7113 M566T2530 M566.1T42.2 566.100036621094 566.100036621094 566.100036621094 42.1598881126804 42.1598881126804 42.1598881126804 1 1 0 5604 7.72659732540899 -0.863376034201592 0.542788852651606
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7114 M566T3567 M566.2T59.4 566.200012207031 566.200012207031 566.200012207031 59.4470878514955 59.4386146354483 59.5098593155534 3 1 2 27 1.55857188027225 0.985182030603841 0.502142805206846
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7115 M566T3850 M566.2T64.2 566.200012207031 566.200012207031 566.200012207031 64.1652973195444 64.1652973195444 64.1652973195444 1 1 0 1423 1.07960822900259 -0.0540970347923726 0.96180101184417
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7116 M566T4474 M566.3T74.6 566.299987792969 566.299987792969 566.299987792969 74.5645358483176 74.5645358483176 74.5645358483176 1 0 1 6103 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7117 M566T4227 M566.4T70.5 566.400024414062 566.400024414062 566.400024414062 70.4539245651311 70.4434858483176 70.4845124072004 4 2 2 [147][M]- [M-H]- 567.41 171 1.90044499608018 1.7954521943316 0.28508408045957
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7118 M566T3513 M566.4T58.5 566.400024414062 566.400024414062 566.400024414062 58.5419663479614 58.5419663479614 58.5419663479614 1 1 0 4536 Inf -1.66511571139803 0.34430328051564
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7119 M566T3756 M566.4T62.6 566.400024414062 566.400024414062 566.400024414062 62.6062922505441 62.6062922505441 62.6062922505441 1 0 1 1009 1.60576900998706 0.320226226925943 0.784247831081706
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7120 M566T3674 M566.4T61.2 566.400024414062 566.400024414062 566.400024414062 61.2256705374983 61.2256705374983 61.2256705374983 1 0 1 89 2.2512046854397 0.507935243918679 0.680748157380312
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7121 M566T3771 M566.4T62.9 566.400024414062 566.400024414062 566.400024414062 62.856667837333 62.856667837333 62.856667837333 1 1 0 13 1.23294796814478 -0.156355128827222 0.891594313874423
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7122 M566T4202 M566.4T70 566.400024414062 566.400024414062 566.400024414062 70.0376765155409 70.0376765155409 70.0376765155409 1 1 0 198 1.15595320750117 -0.266224974134494 0.815287029112739
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7123 M566T3391 M566.4T56.5 566.400024414062 566.400024414062 566.400024414062 56.5213564282762 56.5213564282762 56.5213564282762 1 1 0 498 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7124 M566T3931 M566.4T65.5 566.400024414062 566.400024414062 566.400024414062 65.509083322061 65.509083322061 65.509083322061 1 0 1 63 44.8735594332094 1.05157819092499 0.483839818899722
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7125 M566T2624 M566.4T43.7 566.400024414062 566.400024414062 566.400024414062 43.7267983308522 43.7267983308522 43.7267983308522 1 1 0 [M+Cl]- 531.437 2612 1.02303692958837 0.0196803157373119 0.986410343434514
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7126 M566T4249 M566.5T70.8 566.5 566.5 566.5 70.8235957405337 70.8235957405337 70.8235957405337 1 0 1 6219 1.54052994278925 0.366484324595015 0.749344383683556
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7127 M566T3405 M566.5T56.7 566.5 566.5 566.5 56.7490052029721 56.7490052029721 56.7490052029721 1 1 0 1334 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7128 M567T2913 M566.6T48.5 566.600036621094 566.600036621094 566.600036621094 48.5481814919484 48.5481814919484 48.5481814919484 1 1 0 [M+Cl]- 531.631 56 6.22636794877258 -1.31491033169382 0.394050942958643
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7129 M567T2567 M566.7T42.8 566.700012207031 566.700012207031 566.700012207031 42.7809995766058 42.7809995766058 42.7809995766058 1 1 0 223 Inf -1 0.5
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lecorguille
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7130 M567T2828 M566.7T47.1 566.700012207031 566.700012207031 566.700012207031 47.1285769709032 47.1285769709032 47.1285769709032 1 0 1 4590 Inf 2.18862095063238 0.27284526898133
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7131 M567T2630 M566.8T43.8 566.799987792969 566.799987792969 566.799987792969 43.8272182117096 43.8272182117096 43.8272182117096 1 1 0 2685 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7132 M567T3126 M566.9T52.1 566.900024414062 566.900024414062 566.900024414062 52.0972710597599 52.0972710597599 52.0972710597599 1 1 0 5083 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7133 M567T3279 M566.9T54.6 566.900024414062 566.900024414062 566.900024414062 54.6443499441026 54.6443499441026 54.6443499441026 1 0 1 18 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7134 M567T3276 M567T54.6 567 567 567 54.6010088186186 54.5588267801301 54.6431908571071 2 2 0 1213 8.81069493369403 -3.31222244403383 0.125091201878512
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7135 M567T3537 M567T59 567 567 567 58.9532437404871 58.9532437404871 58.9532437404871 1 1 0 1977 Inf -1 0.5
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lecorguille
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7136 M567T3008 M567.2T50.1 567.200012207031 567.200012207031 567.200012207031 50.1387276071103 50.1387276071103 50.1387276071103 1 0 1 37 8.56905958464513 0.920682930666457 0.525342245730997
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7137 M567T3317 M567.3T55.3 567.299987792969 567.299987792969 567.299987792969 55.2763665058289 55.2763665058289 55.2763665058289 1 1 0 560 2.01448588696873 -0.708523058127855 0.552108478039493
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7138 M567T3090 M567.3T51.5 567.299987792969 567.299987792969 567.299987792969 51.4980463471907 51.4980463471907 51.4980463471907 1 1 0 5375 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7139 M567T4132 M567.3T68.9 567.299987792969 567.299987792969 567.299987792969 68.8592396341954 68.8592396341954 68.8592396341954 1 0 1 [M+Cl]- 532.325 [2M-H+Cl]2- 550.31 [M-H]- 568.313 23 1.7087059458937 0.538242295639601 0.683932619542064
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7140 M567T4228 M567.4T70.5 567.400024414062 567.400024414062 567.400024414062 70.4587200129397 70.4171804896116 70.4773566931594 3 1 2 [147][M+1]- 5416 1.41423827406034 0.639134711101654 0.589103399425579
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7141 M567T3692 M567.4T61.5 567.400024414062 567.400024414062 567.400024414062 61.5377582431736 61.5377582431736 61.5377582431736 1 1 0 [148][M]- 615 13.6516767725817 -0.926748764148055 0.524191307209387
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7142 M567T2660 M567.4T44.3 567.400024414062 567.400024414062 567.400024414062 44.3412374205579 44.3412374205579 44.3412374205579 1 1 0 2275 Inf -1 0.5
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7143 M567T3937 M567.4T65.6 567.400024414062 567.400024414062 567.400024414062 65.6135942124462 65.6135942124462 65.6135942124462 1 0 1 4171 18.3278584982936 0.945423968814382 0.517847128634375
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7144 M567T3503 M567.4T58.4 567.400024414062 567.400024414062 567.400024414062 58.3842852166675 58.3842852166675 58.3842852166675 1 1 0 3364 3.29145559196632 -2.24985610481446 0.25225801756544
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7145 M568T4237 M567.5T70.6 567.5 567.5 567.5 70.6149290738671 70.6149290738671 70.6149290738671 1 0 1 5790 3.72721093936055 1.76597580683157 0.237219392722527
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7146 M568T3878 M567.5T64.6 567.5 567.5 567.5 64.6315632432903 64.6315632432903 64.6315632432903 1 1 0 2754 Inf -1.42166449444605 0.390250952506144
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7147 M568T2973 M567.5T49.5 567.5 567.5 567.5 49.5499932935581 49.5499932935581 49.5499932935581 1 0 1 3283 Inf 1 0.5
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7148 M568T2942 M567.5T49 567.5 567.5 567.5 49.0356376807688 49.0356376807688 49.0356376807688 1 0 1 2822 Inf 1 0.5
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7149 M568T2675 M567.8T44.6 567.799987792969 567.799987792969 567.799987792969 44.5817888056605 44.5817888056605 44.5817888056605 1 0 1 677 5.80340040994101 0.815666546523285 0.558135477994148
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7150 M568T2542 M567.8T42.4 567.799987792969 567.799987792969 567.799987792969 42.3685547793471 42.3685547793471 42.3685547793471 1 1 0 5170 4.09106830122575 -0.733956767347886 0.586017911383537
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7151 M568T2804 M567.9T46.7 567.900024414062 567.900024414062 567.900024414062 46.7297365966852 46.7297365966852 46.7297365966852 1 1 0 5193 Inf -19.6294182710409 0.0324039094230888
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7152 M568T2534 M567.9T42.2 567.900024414062 567.900024414062 567.900024414062 42.2381381126804 42.2381381126804 42.2381381126804 1 1 0 5897 4.30727242482748 -0.747941720942918 0.581064956448943
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7153 M568T3505 M568T58.4 568 568 568 58.4105714219249 58.4105714219249 58.4105714219249 1 1 0 3398 Inf -1.91637166594526 0.306182539479751
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7154 M568T3029 M568T50.5 568 568 568 50.4808100699148 50.4808100699148 50.4808100699148 1 0 1 39 Inf 1 0.5
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7155 M568T3490 M568.1T58.2 568.100036621094 568.100036621094 568.100036621094 58.1645324324705 58.1645324324705 58.1645324324705 1 0 1 1812 1.62192808393167 0.874837605952004 0.536312237667931
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7156 M568T2866 M568.1T47.8 568.100036621094 568.100036621094 568.100036621094 47.7639532942553 47.7639532942553 47.7639532942553 1 1 0 3655 1.51190613210704 -0.367760940731135 0.761444508395493
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7157 M568T3957 M568.1T65.9 568.100036621094 568.100036621094 568.100036621094 65.9489450914091 65.9489450914091 65.9489450914091 1 0 1 5400 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7158 M568T4238 M568.1T70.6 568.100036621094 568.100036621094 568.100036621094 70.6338566931594 70.6338566931594 70.6338566931594 1 1 0 5791 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7159 M568T4122 M568.1T68.7 568.100036621094 568.100036621094 568.100036621094 68.7075920019962 68.7075920019962 68.7075920019962 1 0 1 1737 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7160 M568T3197 M568.2T53.3 568.200012207031 568.200012207031 568.200012207031 53.2798078062908 53.1851468207896 53.3668933727213 4 2 2 [149][M]- [M-H]- 569.208 30 1.43076420653772 3.6348622164699 0.170913924599986
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7161 M568T3250 M568.2T54.2 568.200012207031 568.200012207031 568.200012207031 54.1664165117322 54.0943793752581 54.2384536482062 2 0 2 [M+Cl]- 533.231 34 1.31708299411049 4.1437306036026 0.135628188036995
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7162 M568T2911 M568.2T48.5 568.200012207031 568.200012207031 568.200012207031 48.5190253696061 48.5190253696061 48.5190253696061 1 0 1 2786 1.75109980762187 0.411695199617112 0.743247784277527
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7163 M568T3614 M568.3T60.2 568.299987792969 568.299987792969 568.299987792969 60.2273927664993 60.1534545531716 60.270616510631 3 2 1 [150][M]- 51 5.21627752360765 -1.18272287676962 0.446124304147639
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7164 M568T4226 M568.3T70.4 568.299987792969 568.299987792969 568.299987792969 70.4251683483748 70.4251683483748 70.4251683483748 1 1 0 [151][M]- [M-H]- 569.309 171 1.06400326376583 -0.0477830965635735 0.966493134887789
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7165 M568T3307 M568.3T55.1 568.299987792969 568.299987792969 568.299987792969 55.116771308306 55.116771308306 55.116771308306 1 0 1 561 6.90728433862288 0.846401138332704 0.548191591234422
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7166 M568T2628 M568.3T43.8 568.299987792969 568.299987792969 568.299987792969 43.800633744761 43.800633744761 43.800633744761 1 1 0 2686 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7167 M568T2914 M568.3T48.6 568.299987792969 568.299987792969 568.299987792969 48.5738329707945 48.5738329707945 48.5738329707945 1 1 0 [M+Cl+NaCOOH]- 465.335 [M-H+NaCOOH]- 501.31 [M+Cl]- 533.331 56 2.28156998138899 -0.654584511406514 0.605954700504516
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7168 M568T3461 M568.4T57.7 568.400024414062 568.400024414062 568.400024414062 57.6778499237897 57.6778499237897 57.6778499237897 1 1 0 1297 4.3346413525473 -0.749610978041771 0.580479305568277
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7169 M568T4229 M568.4T70.5 568.400024414062 568.400024414062 568.400024414062 70.4845124072004 70.4845124072004 70.4845124072004 1 0 1 [147][M+2]- 171 1.7652551475915 1.75808337942349 0.275696011093316
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7170 M568T3119 M568.4T52 568.400024414062 568.400024414062 568.400024414062 51.9877302699441 51.9877302699441 51.9877302699441 1 1 0 5035 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7171 M568T2776 M568.4T46.3 568.400024414062 568.400024414062 568.400024414062 46.2625650369449 46.2625650369449 46.2625650369449 1 1 0 151 4.06373670486433 -0.732081298076544 0.586688594848234
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7172 M568T3788 M568.4T63.1 568.400024414062 568.400024414062 568.400024414062 63.1344882463539 63.1344882463539 63.1344882463539 1 0 1 4445 2.13216621360993 0.510855550855557 0.685358887271267
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7173 M568T3691 M568.4T61.5 568.400024414062 568.400024414062 568.400024414062 61.5116474731666 61.5116474731666 61.5116474731666 1 1 0 [148][M+1]- 5 15.5543130492561 -0.994766360860313 0.501594252160052
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7174 M568T3688 M568.5T61.5 568.5 568.5 568.5 61.4619911020552 61.4619911020552 61.4619911020552 1 0 1 616 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7175 M568T3157 M568.5T52.6 568.5 568.5 568.5 52.6112967067067 52.6112967067067 52.6112967067067 1 1 0 820 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7176 M568T2567 M568.5T42.8 568.5 568.5 568.5 42.7858714460137 42.7858714460137 42.7858714460137 1 1 0 5868 7.24095262006366 -0.853793078290496 0.545832132859072
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7177 M569T2621 M568.8T43.7 568.799987792969 568.799987792969 568.799987792969 43.6826799137785 43.6417162432725 43.7236435842846 2 1 1 2687 2.05196461220416 0.622732899861801 0.601912715122086
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7178 M569T3448 M568.8T57.5 568.799987792969 568.799987792969 568.799987792969 57.4690606377124 57.4690606377124 57.4690606377124 1 1 0 62 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7179 M569T2893 M568.9T48.2 568.900024414062 568.900024414062 568.900024414062 48.2239900144358 48.2239900144358 48.2239900144358 1 0 1 3846 3.41124554559915 0.678307134246845 0.606627856619097
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7180 M569T2540 M569T42.3 569 569 569 42.3400278044834 42.3400278044834 42.3400278044834 1 0 1 5555 6.33426388527928 1.93248687654964 0.257264447018828
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7181 M569T2866 M569T47.8 569 569 569 47.7586831191679 47.7586831191679 47.7586831191679 1 0 1 3656 Inf 1.28080271401737 0.422014526717133
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7182 M569T2918 M569T48.6 569 569 569 48.6255705767146 48.6255705767146 48.6255705767146 1 0 1 2787 Inf 1 0.5
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lecorguille
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7183 M569T3367 M569T56.1 569 569 569 56.1231725930966 56.1231725930966 56.1231725930966 1 0 1 126 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7184 M569T3984 M569T66.4 569 569 569 66.4018487153635 66.4018487153635 66.4018487153635 1 1 0 4510 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7185 M569T2864 M569.1T47.7 569.100036621094 569.100036621094 569.100036621094 47.7379035418801 47.7379035418801 47.7379035418801 1 1 0 3657 3.82050044613252 -0.714194408045063 0.593165369507409
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7186 M569T4102 M569.1T68.4 569.100036621094 569.100036621094 569.100036621094 68.3633465806927 68.3633465806927 68.3633465806927 1 1 0 5816 Inf -29.5775923380461 0.0215155230850801
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7187 M569T4042 M569.1T67.4 569.100036621094 569.100036621094 569.100036621094 67.3595782938506 67.3595782938506 67.3595782938506 1 0 1 5314 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7188 M569T3197 M569.2T53.3 569.200012207031 569.200012207031 569.200012207031 53.2798078062908 53.2112368992992 53.3668933727213 4 2 2 [149][M+1]- 30 1.41635045215802 3.78199811629426 0.147700537540613
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7189 M569T3504 M569.2T58.4 569.200012207031 569.200012207031 569.200012207031 58.4010105242278 58.4010105242278 58.4010105242278 1 1 0 [M-2H+Na]- 548.212 76 1.78942629297583 -0.910305670693801 0.518410665038909
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7190 M569T2698 M569.2T45 569.200012207031 569.200012207031 569.200012207031 44.9610546101059 44.9610546101059 44.9610546101059 1 1 0 5075 1.22697380381612 -0.342041360703518 0.783296537058604
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7191 M569T4179 M569.2T69.7 569.200012207031 569.200012207031 569.200012207031 69.654150830977 69.654150830977 69.654150830977 1 0 1 4421 1.80045571498806 0.435812323047 0.733965729117116
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7192 M569T4228 M569.3T70.5 569.299987792969 569.299987792969 569.299987792969 70.4734629374051 70.4695691816509 70.4773566931594 2 1 1 [151][M+1]- 5431 1.0816771039523 0.0718570000504098 0.952747511036424
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7193 M569T3611 M569.3T60.2 569.299987792969 569.299987792969 569.299987792969 60.1904236598355 60.1534545531716 60.2273927664993 2 2 0 [150][M+1]- 51 5.40885045110343 -1.23403099994928 0.433516828259293
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7194 M569T3780 M569.3T63 569.299987792969 569.299987792969 569.299987792969 63.0023932176446 63.0023932176446 63.0023932176446 1 0 1 88 2.79156007171373 0.69728843949825 0.611937077786688
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7195 M569T3171 M569.3T52.8 569.299987792969 569.299987792969 569.299987792969 52.8462923207302 52.8462923207302 52.8462923207302 1 1 0 745 1.07281133069826 -0.119417205319228 0.921892431921565
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7196 M569T3794 M569.4T63.2 569.400024414062 569.400024414062 569.400024414062 63.2312149711378 63.1609050395012 63.3015249027743 2 1 1 5407 1.10849904514587 0.0757587381299332 0.946510971961744
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7197 M569T3760 M569.4T62.7 569.400024414062 569.400024414062 569.400024414062 62.6610953289903 62.6610953289903 62.6610953289903 1 0 1 935 7.3089146587618 2.4802310086677 0.240387379588944
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7198 M569T3691 M569.4T61.5 569.400024414062 569.400024414062 569.400024414062 61.5145265918963 61.5145265918963 61.5145265918963 1 1 0 [148][M+2]- 627 3.93642452049446 -2.5328967072787 0.158790771552546
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7199 M569T2747 M569.4T45.8 569.400024414062 569.400024414062 569.400024414062 45.7754586791105 45.7754586791105 45.7754586791105 1 0 1 4364 4.20166680243049 0.741293344704183 0.583409105199133
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7200 M570T2712 M569.5T45.2 569.5 569.5 569.5 45.192954567823 45.192954567823 45.192954567823 1 1 0 2532 Inf -1 0.5
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7201 M570T2898 M569.5T48.3 569.5 569.5 569.5 48.2990354917678 48.2990354917678 48.2990354917678 1 1 0 4783 Inf -1 0.5
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7202 M570T3941 M569.5T65.7 569.5 569.5 569.5 65.6861042988527 65.6861042988527 65.6861042988527 1 0 1 4172 3.56876855030395 1.21719671534725 0.378123805670911
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7203 M570T3637 M569.5T60.6 569.5 569.5 569.5 60.6226503844596 60.6226503844596 60.6226503844596 1 0 1 2857 Inf 1 0.5
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7204 M570T4103 M569.5T68.4 569.5 569.5 569.5 68.3864055010878 68.3864055010878 68.3864055010878 1 1 0 6178 Inf -1 0.5
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7205 M570T4078 M569.5T68 569.5 569.5 569.5 67.9713176910834 67.9713176910834 67.9713176910834 1 1 0 3910 Inf -1 0.5
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7206 M570T2893 M569.6T48.2 569.600036621094 569.600036621094 569.600036621094 48.2097870775546 48.2097870775546 48.2097870775546 1 1 0 [M-H-H2]- 572.611 95 Inf -1 0.5
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7207 M570T2761 M569.7T46 569.700012207031 569.700012207031 569.700012207031 46.0235514467423 46.0235514467423 46.0235514467423 1 0 1 3814 Inf 1 0.5
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7208 M570T2739 M569.8T45.7 569.799987792969 569.799987792969 569.799987792969 45.6538815594275 45.6538815594275 45.6538815594275 1 0 1 4441 2.46890724640897 0.551445731713441 0.660070214966537
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7209 M570T2919 M569.8T48.7 569.799987792969 569.799987792969 569.799987792969 48.650806428958 48.650806428958 48.650806428958 1 1 0 56 1024.94599566422 -1.00208548567273 0.499336606950729
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7210 M570T2611 M569.8T43.5 569.799987792969 569.799987792969 569.799987792969 43.5161881126804 43.5161881126804 43.5161881126804 1 1 0 100 4.38434163701072 -0.752588009683133 0.57943768125129
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7211 M570T3287 M570T54.8 570 570 570 54.7757035132238 54.7757035132238 54.7757035132238 1 0 1 3797 Inf 1 0.5
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7212 M570T3052 M570.1T50.9 570.100036621094 570.100036621094 570.100036621094 50.863709738917 50.7939197442855 50.9334997335484 2 1 1 [152][M]- 81 1.49247950488862 0.282215414858782 0.808042653715397
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7213 M570T3104 M570.1T51.7 570.100036621094 570.100036621094 570.100036621094 51.729076658099 51.6511943998491 51.8069589163489 2 1 1 [153][M]- [M-H]- 571.112 68 1.64246000102652 0.409542058107211 0.732461743299891
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7214 M570T3650 M570.1T60.8 570.100036621094 570.100036621094 570.100036621094 60.8292393476107 60.8292393476107 60.8292393476107 1 1 0 1526 11.8661720305616 -1.88417513925803 0.2993272891737
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7215 M570T3519 M570.1T58.6 570.100036621094 570.100036621094 570.100036621094 58.6468635907993 58.6468635907993 58.6468635907993 1 1 0 429 Inf -1 0.5
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7216 M570T2542 M570.1T42.4 570.100036621094 570.100036621094 570.100036621094 42.3636662432725 42.3636662432725 42.3636662432725 1 1 0 5556 2.08937010775257 -0.564233147581743 0.639829357463063
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7217 M570T3132 M570.2T52.2 570.200012207031 570.200012207031 570.200012207031 52.2018206940751 52.2018206940751 52.2018206940751 1 0 1 5003 Inf 1.58687867835816 0.35797570823539
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7218 M570T3498 M570.3T58.3 570.299987792969 570.299987792969 570.299987792969 58.2991714325715 58.2666138953485 58.3317289697945 2 1 1 [M-2H+Na]- 549.312 76 2.52571477419942 -0.59927315985362 0.65376421220146
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7219 M570T4122 M570.3T68.7 570.299987792969 570.299987792969 570.299987792969 68.7020307103336 68.7011070246547 68.7029543960126 2 2 0 [154][M]- 29 3.2628883784924 -2.06119484688728 0.187875978338218
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7220 M570T3615 M570.3T60.3 570.299987792969 570.299987792969 570.299987792969 60.2531026958278 60.2531026958278 60.2531026958278 2 1 0 [150][M+2]- 51 2.12277113723853 -0.906215771573952 0.517324356776932
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7221 M570T3169 M570.3T52.8 570.299987792969 570.299987792969 570.299987792969 52.8173454554494 52.8173454554494 52.8173454554494 1 0 1 798 6.91213515628258 0.84651388211985 0.548155520326937
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7222 M570T4132 M570.4T68.9 570.400024414062 570.400024414062 570.400024414062 68.8592396341954 68.7601422840924 68.8596528462587 3 1 2 [155][M]- [M+Cl]- 535.433 [M-H]- 571.411 23 1.20291907348714 0.325447447970818 0.797028064069492
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7223 M570T3504 M570.4T58.4 570.400024414062 570.400024414062 570.400024414062 58.403743769366 58.403743769366 58.403743769366 1 0 1 3399 3.28863621825382 0.665821090575825 0.61146854982549
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7224 M570T3861 M570.4T64.3 570.400024414062 570.400024414062 570.400024414062 64.3490647576268 64.3490647576268 64.3490647576268 1 1 0 1424 1.35967574500374 -0.460607736513292 0.717644181134788
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7225 M570T2751 M570.4T45.8 570.400024414062 570.400024414062 570.400024414062 45.8427816733374 45.8427816733374 45.8427816733374 1 1 0 4365 2.03303895963563 -0.699908287405757 0.578676491078126
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7226 M570T3604 M570.4T60.1 570.400024414062 570.400024414062 570.400024414062 60.0745266554824 60.0745266554824 60.0745266554824 1 1 0 1461 Inf -1 0.5
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7227 M570T3761 M570.4T62.7 570.400024414062 570.400024414062 570.400024414062 62.6892893594409 62.6892893594409 62.6892893594409 1 1 0 1010 3.23935514666273 -0.66053875452136 0.613542019514536
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7228 M570T2889 M570.5T48.2 570.5 570.5 570.5 48.1515937393471 48.1515937393471 48.1515937393471 1 0 1 3847 12.4546736136924 1.36273034824465 0.398374774972404
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7229 M570T3689 M570.5T61.5 570.5 570.5 570.5 61.4882293714724 61.4882293714724 61.4882293714724 1 0 1 617 Inf 1 0.5
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7230 M570T4141 M570.5T69 570.5 570.5 570.5 69.0229328498659 69.0229328498659 69.0229328498659 1 0 1 4247 Inf 1 0.5
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7231 M571T2728 M570.6T45.5 570.600036621094 570.600036621094 570.600036621094 45.4652243811903 45.4652243811903 45.4652243811903 1 1 0 2448 Inf -1 0.5
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7232 M571T2903 M570.6T48.4 570.600036621094 570.600036621094 570.600036621094 48.386287940036 48.386287940036 48.386287940036 1 0 1 3926 Inf 1 0.5
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7233 M571T3515 M570.6T58.6 570.600036621094 570.600036621094 570.600036621094 58.5831744152706 58.5831744152706 58.5831744152706 1 1 0 [156][M]2- 351 7.98020123951961 -0.905807077098373 0.527375786602802
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7234 M571T2916 M570.8T48.6 570.799987792969 570.799987792969 570.799987792969 48.5994804250865 48.5994804250865 48.5994804250865 1 1 0 56 12.3309088179579 -0.916505850244478 0.526440295862228
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7235 M571T2687 M570.8T44.8 570.799987792969 570.799987792969 570.799987792969 44.7884791958349 44.7884791958349 44.7884791958349 1 0 1 678 2.54636764914849 0.565257337131289 0.653767536308415
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7236 M571T3494 M570.9T58.2 570.900024414062 570.900024414062 570.900024414062 58.2266815549943 58.2266815549943 58.2266815549943 1 1 0 3512 Inf -11.3238705764385 0.0560738114063082
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7237 M571T3479 M570.9T58 570.900024414062 570.900024414062 570.900024414062 57.985984878753 57.985984878753 57.985984878753 1 0 1 1813 Inf 1 0.5
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7238 M571T3549 M570.9T59.1 570.900024414062 570.900024414062 570.900024414062 59.1472024168757 59.1472024168757 59.1472024168757 1 1 0 2330 Inf -1 0.5
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7239 M571T3503 M571T58.4 571 571 571 58.3850696409577 58.3430787804628 58.4270605014527 2 1 1 [M+Cl]- 536.034 [M-2H+Na]- 550.029 [M-H-CH2]- 586.011 76 7.66350778580378 -0.865527859209963 0.543686556622211
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7240 M571T2909 M571T48.5 571 571 571 48.4902198805205 48.4902198805205 48.4902198805205 1 0 1 56 2.62693531249341 0.610041996475191 0.646455628610895
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7241 M571T2617 M571T43.6 571 571 571 43.6180778044834 43.6180778044834 43.6180778044834 1 0 1 5640 1.24929180264475 0.579593721956761 0.665596141354144
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7242 M571T3231 M571T53.8 571 571 571 53.8418209238434 53.8418209238434 53.8418209238434 1 0 1 2726 Inf 1 0.5
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7243 M571T3391 M571T56.5 571 571 571 56.5214418884401 56.5214418884401 56.5214418884401 1 0 1 499 4.04239959225687 1.31230156596239 0.360781391343056
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7244 M571T3170 M571T52.8 571 571 571 52.8376230496383 52.8376230496383 52.8376230496383 1 0 1 8 Inf 1 0.5
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7245 M571T3102 M571.1T51.7 571.100036621094 571.100036621094 571.100036621094 51.7028194027904 51.624893231595 51.7807455739858 2 1 1 [153][M+1]- 68 1.76955422112738 0.432966629065012 0.721283046912533
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7246 M571T3053 M571.1T50.9 571.100036621094 571.100036621094 571.100036621094 50.8765321185061 50.7939197442855 50.9591444927266 2 1 1 [152][M+1]- 81 1.21127506240367 0.139001542762017 0.902809781210698
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7247 M571T3517 M571.1T58.6 571.100036621094 571.100036621094 571.100036621094 58.6093617735738 58.6093617735738 58.6093617735738 1 1 0 [156][M+1]2- 430 15.2916071787999 -0.958437981566805 0.512361628349215
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7248 M571T3689 M571.1T61.5 571.100036621094 571.100036621094 571.100036621094 61.4892002526786 61.4892002526786 61.4892002526786 1 1 0 568 9.94844517028948 -0.894971785220491 0.532853650755302
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7249 M571T4081 M571.1T68 571.100036621094 571.100036621094 571.100036621094 68.0246480020215 68.0246480020215 68.0246480020215 1 0 1 5729 Inf 1 0.5
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7250 M571T3910 M571.1T65.2 571.100036621094 571.100036621094 571.100036621094 65.160436526486 65.160436526486 65.160436526486 1 0 1 4786 5.77177103889802 0.825604176046649 0.560017358837894
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7251 M571T3763 M571.1T62.7 571.100036621094 571.100036621094 571.100036621094 62.7130339881799 62.7130339881799 62.7130339881799 1 0 1 [157][M]- 956 1.92704020693205 0.435349874396236 0.720220725807232
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7252 M571T2733 M571.2T45.5 571.200012207031 571.200012207031 571.200012207031 45.542602780453 45.542602780453 45.542602780453 1 1 0 2533 Inf -1.21505311581594 0.438385529725879
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7253 M571T3918 M571.2T65.3 571.200012207031 571.200012207031 571.200012207031 65.2982336596082 65.2982336596082 65.2982336596082 1 1 0 2944 1.41900944040646 -0.317677340064673 0.786728873511286
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7254 M571T2570 M571.2T42.8 571.200012207031 571.200012207031 571.200012207031 42.8355944711501 42.8355944711501 42.8355944711501 1 0 1 5299 1.46681210711729 0.31787003023807 0.803873595285239
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7255 M571T4124 M571.3T68.7 571.299987792969 571.299987792969 571.299987792969 68.7290731433405 68.7290731433405 68.7290731433405 1 1 0 [154][M+1]- 1738 1.39281313674205 -0.380854164863595 0.768243659101307
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7256 M571T2723 M571.3T45.4 571.299987792969 571.299987792969 571.299987792969 45.3879422491882 45.3879422491882 45.3879422491882 1 1 0 2450 6.41540641373812 -1.02967430502853 0.481043299563673
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7257 M571T3246 M571.3T54.1 571.299987792969 571.299987792969 571.299987792969 54.105513406832 54.105513406832 54.105513406832 1 1 0 3471 1.04513339923829 0.252487223305586 0.833327950519715
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7258 M571T3791 M571.3T63.2 571.299987792969 571.299987792969 571.299987792969 63.187320477587 63.187320477587 63.187320477587 1 0 1 4445 7.81428243231933 1.36584167332819 0.38927435315611
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7259 M571T4259 M571.3T71 571.299987792969 571.299987792969 571.299987792969 70.9800790738671 70.9800790738671 70.9800790738671 1 0 1 297 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7260 M571T3158 M571.3T52.6 571.299987792969 571.299987792969 571.299987792969 52.6353514783596 52.6353514783596 52.6353514783596 1 0 1 852 2.89769685747244 0.619070886373713 0.630372038562912
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7261 M571T4125 M571.4T68.8 571.400024414062 571.400024414062 571.400024414062 68.7579726878635 68.7011070246547 68.8857603089572 4 2 2 [155][M+1]- 23 1.64120544888186 -2.87742902944425 0.119170067629478
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7262 M571T2780 M571.4T46.3 571.400024414062 571.400024414062 571.400024414062 46.3335681719076 46.2445319224406 46.4226044213745 2 0 2 4270 15.248422095281 2.25624806454477 0.25577219486569
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7263 M571T4085 M571.4T68.1 571.400024414062 571.400024414062 571.400024414062 68.0771770379932 68.0771770379932 68.0771770379932 1 0 1 5730 2.30641621363806 0.519682732718413 0.675041108406764
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7264 M571T3281 M571.4T54.7 571.400024414062 571.400024414062 571.400024414062 54.6915940667403 54.6915940667403 54.6915940667403 1 1 0 1251 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7265 M571T3708 M571.4T61.8 571.400024414062 571.400024414062 571.400024414062 61.7946158499894 61.7946158499894 61.7946158499894 1 1 0 [M+Cl]- 536.433 [M-H]- 572.406 17 3.07287084579567 -0.746126443035474 0.57246591481991
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7266 M571T3033 M571.4T50.5 571.400024414062 571.400024414062 571.400024414062 50.5485649630851 50.5485649630851 50.5485649630851 1 1 0 2159 Inf -1.42549421431202 0.389445396892434
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7267 M571T3299 M571.4T55 571.400024414062 571.400024414062 571.400024414062 54.985612032835 54.985612032835 54.985612032835 1 0 1 2596 2.82663111293293 0.609220889307776 0.634519379899763
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7268 M571T3782 M571.4T63 571.400024414062 571.400024414062 571.400024414062 63.0288128162637 63.0288128162637 63.0288128162637 1 0 1 [M+Cl]- 536.429 [M-H]- 572.411 88 42.4622984291188 1.06193969578615 0.480699643163957
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7269 M572T3733 M571.5T62.2 571.5 571.5 571.5 62.2193758027016 62.2193758027016 62.2193758027016 1 0 1 3586 36.5338150965164 0.972263946085446 0.508758679057778
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7270 M572T2801 M571.5T46.7 571.5 571.5 571.5 46.6781059981469 46.6781059981469 46.6781059981469 1 1 0 5194 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7271 M572T3801 M571.5T63.3 571.5 571.5 571.5 63.3457698290879 63.3457698290879 63.3457698290879 1 0 1 2844 10.3479320777249 1.37567091688127 0.393029047750856
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7272 M572T2893 M571.6T48.2 571.600036621094 571.600036621094 571.600036621094 48.2097870775546 48.2097870775546 48.2097870775546 1 1 0 [M-H]- 572.611 95 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7273 M572T3921 M571.6T65.4 571.600036621094 571.600036621094 571.600036621094 65.3523218133275 65.3523218133275 65.3523218133275 1 0 1 63 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7274 M572T4232 M571.6T70.5 571.600036621094 571.600036621094 571.600036621094 70.5366790738671 70.5366790738671 70.5366790738671 1 0 1 6136 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7275 M572T2918 M571.7T48.6 571.700012207031 571.700012207031 571.700012207031 48.6251346470619 48.6251346470619 48.6251346470619 1 1 0 [M-H-H2]- 574.711 56 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7276 M572T2953 M571.7T49.2 571.700012207031 571.700012207031 571.700012207031 49.220990790413 49.220990790413 49.220990790413 1 1 0 3174 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7277 M572T2686 M571.8T44.8 571.799987792969 571.799987792969 571.799987792969 44.7613459684195 44.7613459684195 44.7613459684195 1 0 1 679 3.1249714209907 0.647645082634916 0.618668597672092
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7278 M572T2907 M571.8T48.4 571.799987792969 571.799987792969 571.799987792969 48.445335973608 48.445335973608 48.445335973608 1 1 0 3927 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7279 M572T2930 M571.8T48.8 571.799987792969 571.799987792969 571.799987792969 48.8315744781086 48.8315744781086 48.8315744781086 1 1 0 86 286.690307131999 -0.996505853466003 0.501110954336415
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7280 M572T3173 M571.9T52.9 571.900024414062 571.900024414062 571.900024414062 52.8906029138105 52.8906029138105 52.8906029138105 1 0 1 751 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7281 M572T3516 M572T58.6 572 572 572 58.5991307439076 58.5991307439076 58.5991307439076 1 0 1 362 8.2197763993874 1.04514401825123 0.480247979949364
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7282 M572T3761 M572T62.7 572 572 572 62.6854687573647 62.6854687573647 62.6854687573647 1 0 1 1011 1.36270263432637 0.2145846965136 0.851548688769342
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7283 M572T3495 M572T58.3 572 572 572 58.2529507086965 58.2529507086965 58.2529507086965 1 1 0 3513 5.94701513057776 -2.38351617777125 0.175027699722302
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7284 M572T3327 M572T55.5 572 572 572 55.4555890568 55.4555890568 55.4555890568 1 1 0 1124 Inf -1.83895099581035 0.317075882016773
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7285 M572T3695 M572T61.6 572 572 572 61.5830738323386 61.5830738323386 61.5830738323386 1 0 1 618 3.00855145303436 0.633534216443057 0.624388113916975
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7286 M572T3746 M572T62.4 572 572 572 62.4273437838414 62.4273437838414 62.4273437838414 1 0 1 1026 34.0911889765704 0.97024958116457 0.509390264938868
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7287 M572T3347 M572T55.8 572 572 572 55.7774686755621 55.7774686755621 55.7774686755621 1 0 1 812 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7288 M572T2996 M572T49.9 572 572 572 49.9305080673032 49.9305080673032 49.9305080673032 1 1 0 1847 5.26346116584305 -1.12195814318839 0.444011174803662
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7289 M572T2534 M572T42.2 572 572 572 42.2381381126804 42.2381381126804 42.2381381126804 1 1 0 5898 14.776348400803 -1.43462131934727 0.383866701412651
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7290 M572T3690 M572.1T61.5 572.100036621094 572.100036621094 572.100036621094 61.4953779374785 61.4791084017905 61.5116474731666 2 1 1 628 2.88494825520343 -1.36807189040471 0.305040743077556
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7291 M572T3461 M572.1T57.7 572.100036621094 572.100036621094 572.100036621094 57.6778499237897 57.6778499237897 57.6778499237897 1 1 0 1298 Inf -2.27366776684002 0.263786191598955
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7292 M572T3049 M572.1T50.8 572.100036621094 572.100036621094 572.100036621094 50.8200476434968 50.8200476434968 50.8200476434968 1 0 1 [152][M+2]- 81 2.56467294587569 0.670673199660632 0.621429390799444
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7293 M572T3110 M572.1T51.8 572.100036621094 572.100036621094 572.100036621094 51.8332001944449 51.8332001944449 51.8332001944449 1 0 1 5354 2.0054188944966 0.584355628717041 0.648229279048873
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7294 M572T3766 M572.1T62.8 572.100036621094 572.100036621094 572.100036621094 62.7649736411858 62.7649736411858 62.7649736411858 1 0 1 [157][M+1]- 957 1.24755505354934 0.196574521300561 0.875522853296408
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7295 M572T3658 M572.2T61 572.200012207031 572.200012207031 572.200012207031 60.9684569543405 60.85510455482 61.0149726434676 3 2 1 [158][M]- [M+Cl]- 537.229 47 1.09577830513891 0.0761954674909938 0.947565549632876
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7296 M572T3379 M572.2T56.3 572.200012207031 572.200012207031 572.200012207031 56.3091657926628 56.2858378510571 56.4904722617241 3 1 2 [3M-2H]2- 382.136 25 1.10060911041187 0.60530840793781 0.6498934583051
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7297 M572T3090 M572.3T51.5 572.299987792969 572.299987792969 572.299987792969 51.4929170597402 51.4929170597402 51.4929170597402 1 0 1 5380 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7298 M572T3694 M572.3T61.6 572.299987792969 572.299987792969 572.299987792969 61.5669160088384 61.5669160088384 61.5669160088384 1 0 1 619 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7299 M572T3678 M572.3T61.3 572.299987792969 572.299987792969 572.299987792969 61.3034134676322 61.3034134676322 61.3034134676322 1 1 0 3696 25.4554981355386 -1.5822380814949 0.3573257609095
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7300 M572T2974 M572.3T49.6 572.299987792969 572.299987792969 572.299987792969 49.5594860383117 49.5594860383117 49.5594860383117 1 1 0 235 Inf -2.3071327611657 0.260375135644852
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7301 M572T3520 M572.4T58.7 572.400024414062 572.400024414062 572.400024414062 58.6618656936205 58.6618656936205 58.6618656936205 1 1 0 431 1.50535346002103 -0.279628371483674 0.809452106208856
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7302 M572T2825 M572.4T47.1 572.400024414062 572.400024414062 572.400024414062 47.0764079402373 47.0764079402373 47.0764079402373 1 0 1 3312 8.53661102700739 0.876861685380224 0.538532102998888
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7303 M572T3028 M572.4T50.5 572.400024414062 572.400024414062 572.400024414062 50.4721928677572 50.4721928677572 50.4721928677572 1 1 0 2160 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7304 M572T3243 M572.4T54 572.400024414062 572.400024414062 572.400024414062 54.042055990214 54.042055990214 54.042055990214 1 0 1 3472 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7305 M572T3675 M572.4T61.2 572.400024414062 572.400024414062 572.400024414062 61.2442079737163 61.2442079737163 61.2442079737163 1 0 1 3697 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7306 M572T3786 M572.4T63.1 572.400024414062 572.400024414062 572.400024414062 63.1080703628007 63.1080703628007 63.1080703628007 1 0 1 [M-H]- 573.406 117 29.3224851500631 1.44384844044664 0.384739002363339
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7307 M572T3061 M572.5T51 572.5 572.5 572.5 51.0243994216216 51.0243994216216 51.0243994216216 1 0 1 5415 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7308 M572T3348 M572.5T55.8 572.5 572.5 572.5 55.8040877446846 55.8040877446846 55.8040877446846 1 0 1 738 Inf 1.34463177498132 0.407090098648214
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7309 M572T2939 M572.5T49 572.5 572.5 572.5 48.9813636525727 48.9813636525727 48.9813636525727 1 0 1 2823 5.10029167717999 0.788911963137508 0.567004276662935
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7310 M572T4182 M572.5T69.7 572.5 572.5 572.5 69.6947584361798 69.6947584361798 69.6947584361798 1 1 0 6027 Inf -1 0.5
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7311 M573T2808 M572.6T46.8 572.600036621094 572.600036621094 572.600036621094 46.8071117251896 46.8071117251896 46.8071117251896 1 1 0 5948 Inf -1 0.5
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7312 M573T2526 M572.7T42.1 572.700012207031 572.700012207031 572.700012207031 42.1077214460137 42.1077214460137 42.1077214460137 1 1 0 5961 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7313 M573T2921 M572.8T48.7 572.799987792969 572.799987792969 572.799987792969 48.6765065630123 48.6765065630123 48.6765065630123 1 1 0 2863 Inf -1 0.5
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7314 M573T2876 M572.8T47.9 572.799987792969 572.799987792969 572.799987792969 47.9277143465266 47.9277143465266 47.9277143465266 1 0 1 4750 Inf 1 0.5
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7315 M573T3744 M572.9T62.4 572.900024414062 572.900024414062 572.900024414062 62.4013598181144 62.4013598181144 62.4013598181144 1 0 1 1024 Inf 1 0.5
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7316 M573T3155 M572.9T52.6 572.900024414062 572.900024414062 572.900024414062 52.5832662105394 52.5832662105394 52.5832662105394 1 0 1 229 Inf 1 0.5
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7317 M573T2589 M572.9T43.1 572.900024414062 572.900024414062 572.900024414062 43.1461495766058 43.1461495766058 43.1461495766058 1 1 0 2878 2.07116788321168 -0.465736770539453 0.702012066350692
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7318 M573T2800 M572.9T46.7 572.900024414062 572.900024414062 572.900024414062 46.6673199901314 46.6673199901314 46.6673199901314 1 0 1 3950 7.05908997479362 1.39451143216552 0.378736055349341
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7319 M573T4070 M573T67.8 573 573 573 67.8253847751177 67.8253847751177 67.8253847751177 1 0 1 3852 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7320 M573T2902 M573T48.4 573 573 573 48.3676185340835 48.3676185340835 48.3676185340835 1 1 0 203 21.5987189989436 -1.15194364793727 0.454200484615604
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7321 M573T3106 M573T51.8 573 573 573 51.7682662605924 51.7682662605924 51.7682662605924 1 0 1 3153 1.31746302794401 -0.537110519252039 0.658822258435616
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7322 M573T3356 M573T55.9 573 573 573 55.9254437958134 55.9254437958134 55.9254437958134 1 1 0 691 1.04611711557494 0.0318666465334054 0.977477798594516
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7323 M573T3326 M573T55.4 573 573 573 55.4322087716037 55.4322087716037 55.4322087716037 1 0 1 [M-H]- 574.01 15 Inf 1.17220112016137 0.449637329233906
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7324 M573T3823 M573T63.7 573 573 573 63.7149202826779 63.7149202826779 63.7149202826779 1 0 1 1867 Inf 1 0.5
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7325 M573T3574 M573T59.6 573 573 573 59.5698170075672 59.5698170075672 59.5698170075672 1 1 0 1682 9.78597934998461 -0.893161816715103 0.53341957743006
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7326 M573T4121 M573.1T68.7 573.100036621094 573.100036621094 573.100036621094 68.6813180349399 68.6813180349399 68.6813180349399 1 0 1 1739 1.30336442679313 -0.184664160062309 0.871523908270978
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7327 M573T3875 M573.1T64.6 573.100036621094 573.100036621094 573.100036621094 64.5792961109386 64.5792961109386 64.5792961109386 1 1 0 2755 Inf -1.19568885026901 0.443411332991745
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7328 M573T4186 M573.1T69.8 573.100036621094 573.100036621094 573.100036621094 69.7628004491662 69.7628004491662 69.7628004491662 1 0 1 255 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7329 M573T3048 M573.1T50.8 573.100036621094 573.100036621094 573.100036621094 50.7939197442855 50.7939197442855 50.7939197442855 1 0 1 [152][M+3]- 3502 5.20915810332706 1.0201053392406 0.492126738785051
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7330 M573T3657 M573.2T61 573.200012207031 573.200012207031 573.200012207031 60.952089374175 60.9357217940096 60.9684569543405 2 1 1 [158][M+1]- 47 1.21782354519173 -0.164622081447305 0.884511809942881
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7331 M573T3848 M573.2T64.1 573.200012207031 573.200012207031 573.200012207031 64.1355069343933 64.1355069343933 64.1355069343933 1 0 1 [M-H-HF]- 594.208 21 3.34070695766343 -3.26383669469564 0.150399577276206
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7332 M573T3388 M573.2T56.5 573.200012207031 573.200012207031 573.200012207031 56.4648195460913 56.4648195460913 56.4648195460913 1 0 1 [M+Cl]- 538.237 3 1.19634588374978 -0.205885514641028 0.863328764256192
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7333 M573T3783 M573.2T63.1 573.200012207031 573.200012207031 573.200012207031 63.0552323830999 63.0552323830999 63.0552323830999 1 0 1 88 1.62860635139088 0.492573756028634 0.703861221846453
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7334 M573T2520 M573.3T42 573.299987792969 573.299987792969 573.299987792969 41.9985162432725 41.9985162432725 41.9985162432725 1 1 0 5062 1.41362966362253 -2.67381428460935 0.22188809656845
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7335 M573T3666 M573.3T61.1 573.299987792969 573.299987792969 573.299987792969 61.0940809670018 61.0940809670018 61.0940809670018 1 0 1 [M-H+CF3COOH]- 460.309 2 Inf 1.11687241408064 0.464887902577229
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7336 M573T3379 M573.3T56.3 573.299987792969 573.299987792969 573.299987792969 56.3091657926628 56.3091657926628 56.3091657926628 1 0 1 25 7.77965626604206 1.13608504645856 0.458679857656936
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7337 M573T3615 M573.3T60.3 573.299987792969 573.299987792969 573.299987792969 60.2531026958278 60.2531026958278 60.2531026958278 1 1 0 [159][M]- 51 16.1509519790032 -1.23373797513072 0.433617861007177
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7338 M573T3348 M573.4T55.8 573.400024414062 573.400024414062 573.400024414062 55.7974313023316 55.7974313023316 55.7974313023316 1 0 1 739 Inf 2.26093280178754 0.265106470672877
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7339 M573T4078 M573.4T68 573.400024414062 573.400024414062 573.400024414062 67.9713176910834 67.9713176910834 67.9713176910834 1 1 0 3911 1.0375038670688 -0.0430764910954162 0.969567389092088
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7340 M573T3691 M573.4T61.5 573.400024414062 573.400024414062 573.400024414062 61.5116474731666 61.5116474731666 61.5116474731666 1 1 0 620 1.88218649477545 -0.586377433763395 0.617690493154781
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7341 M573T3970 M573.4T66.2 573.400024414062 573.400024414062 573.400024414062 66.1716808217559 66.1716808217559 66.1716808217559 1 1 0 1982 5.96545252384936 -1.0058081608432 0.487439710268117
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7342 M574T3927 M573.5T65.5 573.5 573.5 573.5 65.4569118275977 65.4569118275977 65.4569118275977 1 1 0 3022 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7343 M574T2646 M573.5T44.1 573.5 573.5 573.5 44.1011457645514 44.1011457645514 44.1011457645514 1 1 0 5945 23.4266100417922 -2.06320300733974 0.284029341678499
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7344 M574T3736 M573.6T62.3 573.600036621094 573.600036621094 573.600036621094 62.2670501867713 62.2670501867713 62.2670501867713 1 1 0 3587 1.85604004127539 -0.406035337862794 0.734123573682573
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7345 M574T3715 M573.6T61.9 573.600036621094 573.600036621094 573.600036621094 61.9224618921501 61.9224618921501 61.9224618921501 1 0 1 1203 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7346 M574T2913 M573.7T48.5 573.700012207031 573.700012207031 573.700012207031 48.5481814919484 48.5481814919484 48.5481814919484 1 1 0 [M-H]- 574.711 56 48.9586020096776 -0.993575106394803 0.501938661997909
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7347 M574T2900 M573.7T48.3 573.700012207031 573.700012207031 573.700012207031 48.3315223028897 48.3315223028897 48.3315223028897 1 0 1 4773 5.61875781183636 -0.809307158494109 0.560223852895276
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7348 M574T3698 M573.7T61.6 573.700012207031 573.700012207031 573.700012207031 61.6415130442269 61.6415130442269 61.6415130442269 1 1 0 4194 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7349 M574T3301 M573.8T55 573.799987792969 573.799987792969 573.799987792969 55.0086965617651 55.0086965617651 55.0086965617651 1 1 0 167 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7350 M574T2924 M573.8T48.7 573.799987792969 573.799987792969 573.799987792969 48.7280350565451 48.7280350565451 48.7280350565451 1 1 0 2861 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7351 M574T2755 M573.8T45.9 573.799987792969 573.799987792969 573.799987792969 45.9108043388673 45.9108043388673 45.9108043388673 1 0 1 4610 Inf 1.08652902587589 0.473614293483888
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7352 M574T3704 M574T61.7 574 574 574 61.7409354153033 61.6872549806172 61.7946158499894 2 1 1 17 1.45282588576843 -0.681913404759561 0.611474418909005
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7353 M574T3013 M574T50.2 574 574 574 50.2142096767481 50.2142096767481 50.2142096767481 1 1 0 2090 3.80950453009244 -0.713331319298512 0.59348166050099
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7354 M574T3262 M574T54.4 574 574 574 54.3724034864464 54.3724034864464 54.3724034864464 1 1 0 79 Inf -1 0.5
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lecorguille
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7355 M574T3311 M574T55.2 574 574 574 55.1790615859739 55.1790615859739 55.1790615859739 1 0 1 [M-H]- 575.01 4 2.73684934880462 0.996598923354483 0.450491236194341
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7356 M574T4080 M574.1T68 574.100036621094 574.100036621094 574.100036621094 67.9974592945175 67.9974592945175 67.9974592945175 1 1 0 5737 Inf -1.23106373756292 0.434301666202737
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7357 M574T3629 M574.1T60.5 574.100036621094 574.100036621094 574.100036621094 60.4857812117369 60.4857812117369 60.4857812117369 1 0 1 1625 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7358 M574T3414 M574.1T56.9 574.100036621094 574.100036621094 574.100036621094 56.9051252893982 56.9051252893982 56.9051252893982 1 1 0 891 1.74314026972932 -2.0508206019586 0.286550975244509
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7359 M574T4016 M574.1T66.9 574.100036621094 574.100036621094 574.100036621094 66.9391540824249 66.9391540824249 66.9391540824249 1 1 0 5973 Inf -1.12133728607365 0.463625944741982
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7360 M574T3593 M574.1T59.9 574.100036621094 574.100036621094 574.100036621094 59.8868502771894 59.8868502771894 59.8868502771894 1 0 1 5888 1.03196082900786 0.0222414955030973 0.984276601334661
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7361 M574T4215 M574.1T70.2 574.100036621094 574.100036621094 574.100036621094 70.2470695998152 70.2470695998152 70.2470695998152 1 1 0 5337 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7362 M574T4036 M574.3T67.3 574.299987792969 574.299987792969 574.299987792969 67.2605924335048 67.2297583167141 67.2914265502955 2 2 0 92 13.3785181723525 -1.62705154254765 0.350735350158129
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7363 M574T2725 M574.3T45.4 574.299987792969 574.299987792969 574.299987792969 45.4137007506199 45.4137007506199 45.4137007506199 1 1 0 2534 16.9486979674088 -1.47933407322249 0.375458884721835
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7364 M574T3054 M574.3T50.9 574.299987792969 574.299987792969 574.299987792969 50.8947123968248 50.8947123968248 50.8947123968248 1 0 1 [M-H]- 575.31 81 Inf 3.90942483121305 0.159423966714469
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7365 M574T3614 M574.3T60.2 574.299987792969 574.299987792969 574.299987792969 60.2273927664993 60.2273927664993 60.2273927664993 1 1 0 [159][M+1]- 51 4.13734115176578 -0.84678340712228 0.550663844771673
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7366 M574T3167 M574.3T52.8 574.299987792969 574.299987792969 574.299987792969 52.7846349827584 52.7846349827584 52.7846349827584 1 0 1 746 3.51964763588621 -0.713052756098421 0.604138955807984
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7367 M574T4211 M574.3T70.2 574.299987792969 574.299987792969 574.299987792969 70.1903736491491 70.1903736491491 70.1903736491491 1 1 0 4944 5.76495925156936 -0.81437714667959 0.558557974763568
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7368 M574T3296 M574.4T54.9 574.400024414062 574.400024414062 574.400024414062 54.9331519056266 54.9331519056266 54.9331519056266 1 0 1 2609 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7369 M574T2677 M574.4T44.6 574.400024414062 574.400024414062 574.400024414062 44.6221200080709 44.6221200080709 44.6221200080709 1 1 0 6 2.18430433251837 -0.604809661180638 0.618715301701534
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7370 M574T3356 M574.4T55.9 574.400024414062 574.400024414062 574.400024414062 55.9370665870977 55.9370665870977 55.9370665870977 1 0 1 697 6.4687872556056 0.835487387868989 0.551696452980649
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lecorguille
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7371 M574T3628 M574.4T60.5 574.400024414062 574.400024414062 574.400024414062 60.4592472487597 60.4592472487597 60.4592472487597 1 0 1 1626 2.69479687014736 0.589626363114626 0.642947467901078
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7372 M574T2530 M574.5T42.2 574.5 574.5 574.5 42.1598881126804 42.1598881126804 42.1598881126804 1 1 0 5605 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7373 M574T4009 M574.5T66.8 574.5 574.5 574.5 66.8205274164213 66.8205274164213 66.8205274164213 1 1 0 5237 4.90193378292794 -0.779935229724253 0.570031919589556
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7374 M574T4163 M574.5T69.4 574.5 574.5 574.5 69.3832446405307 69.3832446405307 69.3832446405307 1 1 0 6116 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7375 M575T2606 M574.6T43.4 574.600036621094 574.600036621094 574.600036621094 43.4354944711501 43.4354944711501 43.4354944711501 1 0 1 4022 8.43944770576956 0.87538498286602 0.53899690267474
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7376 M575T3793 M574.6T63.2 574.600036621094 574.600036621094 574.600036621094 63.2229612692366 63.2229612692366 63.2229612692366 1 1 0 5522 3.39809614506071 -0.677010880357957 0.607126502513894
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7377 M575T2924 M574.7T48.7 574.700012207031 574.700012207031 574.700012207031 48.7280350565451 48.7280350565451 48.7280350565451 1 1 0 2860 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7378 M575T2527 M574.7T42.1 574.700012207031 574.700012207031 574.700012207031 42.1194514146668 42.1194514146668 42.1194514146668 1 0 1 5962 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7379 M575T2739 M574.7T45.6 574.700012207031 574.700012207031 574.700012207031 45.6490077932008 45.6490077932008 45.6490077932008 1 0 1 4442 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7380 M575T2595 M574.7T43.3 574.700012207031 574.700012207031 574.700012207031 43.2504829099392 43.2504829099392 43.2504829099392 1 1 0 61 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7381 M575T2820 M574.8T47 574.799987792969 574.799987792969 574.799987792969 46.9985380443816 46.9985380443816 46.9985380443816 1 0 1 3313 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7382 M575T2522 M574.9T42 574.900024414062 574.900024414062 574.900024414062 42.0270444711501 42.0270444711501 42.0270444711501 1 0 1 5063 1.48922109649594 0.272726311041421 0.813823550857168
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7383 M575T3189 M574.9T53.2 574.900024414062 574.900024414062 574.900024414062 53.1554640236387 53.1554640236387 53.1554640236387 1 0 1 2209 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7384 M575T3705 M575T61.7 575 575 575 61.7434911140765 61.7434911140765 61.7434911140765 1 1 0 1204 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7385 M575T3365 M575T56.1 575 575 575 56.080310724162 56.080310724162 56.080310724162 1 1 0 4648 4.14185530171806 -0.925917251830785 0.512972165803963
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7386 M575T2895 M575T48.3 575 575 575 48.2508917852465 48.2508917852465 48.2508917852465 1 0 1 [M+Cl]- 540.03 [M-H]- 576.009 95 1.97186603505933 -0.646130891210757 0.585212265016029
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7387 M575T3230 M575.1T53.8 575.100036621094 575.100036621094 575.100036621094 53.8404022205945 53.8404022205945 53.8404022205945 1 1 0 [M+Cl]- 540.133 54 2.14512763463331 -0.595701291582482 0.649946786129202
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7388 M575T3843 M575.1T64 575.100036621094 575.100036621094 575.100036621094 64.0435005355467 64.0435005355467 64.0435005355467 1 0 1 1425 3.92256305866566 0.72197270145337 0.590330753775039
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7389 M575T2990 M575.1T49.8 575.100036621094 575.100036621094 575.100036621094 49.8348004840383 49.8348004840383 49.8348004840383 1 0 1 4635 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7390 M575T3811 M575.2T63.5 575.200012207031 575.200012207031 575.200012207031 63.5166230732481 63.5166230732481 63.5166230732481 1 1 0 46 2.325062235975 -0.559359022011096 0.669926244745344
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7391 M575T4048 M575.3T67.5 575.299987792969 575.299987792969 575.299987792969 67.4671591808225 67.4671591808225 67.4671591808225 1 1 0 [M-H]- 576.311 106 1.53898515088881 -0.332468207043632 0.774571195442884
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7392 M575T3101 M575.4T51.7 575.400024414062 575.400024414062 575.400024414062 51.6759344793926 51.6759344793926 51.6759344793926 1 0 1 3154 Inf 1.56293054073945 0.362356404706066
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7393 M575T3752 M575.4T62.5 575.400024414062 575.400024414062 575.400024414062 62.5304175417591 62.5304175417591 62.5304175417591 1 1 0 1027 1.71732877574191 -0.46374044907228 0.69699966733521
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7394 M575T3371 M575.4T56.2 575.400024414062 575.400024414062 575.400024414062 56.1872744421998 56.1872744421998 56.1872744421998 1 1 0 1594 1.88890302856797 -0.41590437993681 0.728653755533935
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7395 M575T3040 M575.4T50.7 575.400024414062 575.400024414062 575.400024414062 50.6633275593669 50.6633275593669 50.6633275593669 1 0 1 71 Inf 1.09029256305458 0.472517570076049
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7396 M575T4130 M575.4T68.8 575.400024414062 575.400024414062 575.400024414062 68.8333775949274 68.8333775949274 68.8333775949274 1 0 1 [160][M]- [2M+Cl]- 270.209 [M+Cl]- 540.429 23 1.61507885666304 0.405093708138087 0.746253871048184
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7397 M576T3277 M575.5T54.6 575.5 575.5 575.5 54.6180701143941 54.6180701143941 54.6180701143941 1 0 1 1218 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7398 M576T2928 M575.5T48.8 575.5 575.5 575.5 48.8002477541488 48.8002477541488 48.8002477541488 1 0 1 3635 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7399 M576T2694 M575.5T44.9 575.5 575.5 575.5 44.897354881768 44.897354881768 44.897354881768 1 0 1 5709 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7400 M576T2729 M575.5T45.5 575.5 575.5 575.5 45.4910073783904 45.4910073783904 45.4910073783904 1 1 0 2535 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7401 M576T3310 M575.5T55.2 575.5 575.5 575.5 55.1666207548031 55.1666207548031 55.1666207548031 1 1 0 562 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7402 M576T3674 M575.5T61.2 575.5 575.5 575.5 61.238653379219 61.238653379219 61.238653379219 1 1 0 3698 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7403 M576T3814 M575.5T63.6 575.5 575.5 575.5 63.5633712819043 63.5633712819043 63.5633712819043 1 1 0 2400 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7404 M576T4034 M575.6T67.2 575.600036621094 575.600036621094 575.600036621094 67.2300016503884 67.2300016503884 67.2300016503884 1 0 1 3786 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7405 M576T3985 M575.6T66.4 575.600036621094 575.600036621094 575.600036621094 66.4220189278529 66.4220189278529 66.4220189278529 1 0 1 4511 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7406 M576T3023 M575.7T50.4 575.700012207031 575.700012207031 575.700012207031 50.377546440684 50.377546440684 50.377546440684 1 0 1 2161 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7407 M576T2977 M575.9T49.6 575.900024414062 575.900024414062 575.900024414062 49.6106672886108 49.6106672886108 49.6106672886108 1 0 1 5289 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7408 M576T2814 M575.9T46.9 575.900024414062 575.900024414062 575.900024414062 46.8937207675487 46.8937207675487 46.8937207675487 1 0 1 3323 6.08626516905608 0.824638804594644 0.555208160798243
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7409 M576T3016 M575.9T50.3 575.900024414062 575.900024414062 575.900024414062 50.2657171305911 50.2657171305911 50.2657171305911 1 1 0 2091 8.01363620066176 -0.868476919354544 0.541175447773355
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7410 M576T2942 M576T49 576 576 576 49.0390862979343 49.0390862979343 49.0390862979343 1 1 0 2790 Inf -1.57783704369983 0.359618499360046
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7411 M576T3739 M576.1T62.3 576.100036621094 576.100036621094 576.100036621094 62.3233894012569 62.3233894012569 62.3233894012569 1 0 1 4720 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7412 M576T4196 M576.1T69.9 576.100036621094 576.100036621094 576.100036621094 69.9295132115743 69.9295132115743 69.9295132115743 1 1 0 6172 11.7951080401513 -1.76144201022645 0.318906749867908
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7413 M576T2855 M576.2T47.6 576.200012207031 576.200012207031 576.200012207031 47.5785835007499 47.4412492895342 47.5819289669518 5 2 2 [161][M]- 111 2.25885088208481 0.821301449929312 0.526625311735043
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7414 M576T2857 M576.3T47.6 576.299987792969 576.299987792969 576.299987792969 47.6243643958564 47.6243643958564 47.6243643958564 1 1 0 111 6.74121273198382 -2.57196144043193 0.230806582134639
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7415 M576T2758 M576.3T46 576.299987792969 576.299987792969 576.299987792969 45.9742855204777 45.9742855204777 45.9742855204777 1 0 1 5494 3.16930388846987 0.652751108256679 0.616627205575355
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7416 M576T4051 M576.3T67.5 576.299987792969 576.299987792969 576.299987792969 67.5198667782087 67.5198667782087 67.5198667782087 1 1 0 [M+Cl+NH3]- 524.306 77 1.2911389746025 0.202068065795215 0.862683390054746
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7417 M576T4336 M576.4T72.3 576.400024414062 576.400024414062 576.400024414062 72.2675928835132 72.1988066931594 72.3363790738671 2 1 1 6220 1.37054263565894 -0.218405507280185 0.849023416868361
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7418 M576T4132 M576.4T68.9 576.400024414062 576.400024414062 576.400024414062 68.8592396341954 68.8592396341954 68.8592396341954 1 0 1 [160][M+1]- 1516 7.54818383351325 0.926215960092686 0.51945688013977
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7419 M576T3050 M576.4T50.8 576.400024414062 576.400024414062 576.400024414062 50.8309062958886 50.8309062958886 50.8309062958886 1 1 0 3503 5.79131863373923 -0.815263197658073 0.5582675928423
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7420 M576T4042 M576.4T67.4 576.400024414062 576.400024414062 576.400024414062 67.3616839806232 67.3616839806232 67.3616839806232 1 1 0 162 1.23925001724315 0.352250019088693 0.759686757082551
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7421 M576T3714 M576.4T61.9 576.400024414062 576.400024414062 576.400024414062 61.9068278638518 61.9068278638518 61.9068278638518 1 0 1 1161 3.18566519539301 -0.654600214535769 0.615891575130489
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7422 M576T3836 M576.4T63.9 576.400024414062 576.400024414062 576.400024414062 63.9252990982341 63.9252990982341 63.9252990982341 1 0 1 3340 4.83856850607387 0.805765863299789 0.56598117299518
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7423 M576T4304 M576.5T71.7 576.5 576.5 576.5 71.7293233598261 71.7293233598261 71.7293233598261 1 1 0 6225 5.81395348837243 -0.816017446951481 0.558020579379906
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7424 M576T4149 M576.5T69.1 576.5 576.5 576.5 69.143594352247 69.143594352247 69.143594352247 1 0 1 5622 Inf 1 0.5
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7425 M576T3706 M576.5T61.8 576.5 576.5 576.5 61.772415785973 61.772415785973 61.772415785973 1 1 0 1205 Inf -1 0.5
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7426 M576T4203 M576.5T70 576.5 576.5 576.5 70.0488517949489 70.0488517949489 70.0488517949489 1 0 1 5705 Inf 1 0.5
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7427 M576T2807 M576.5T46.8 576.5 576.5 576.5 46.7813277287183 46.7813277287183 46.7813277287183 1 1 0 6033 Inf -1 0.5
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7428 M576T2935 M576.5T48.9 576.5 576.5 576.5 48.909336203624 48.909336203624 48.909336203624 1 1 0 2796 Inf -1 0.5
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7429 M577T3927 M576.6T65.5 576.600036621094 576.600036621094 576.600036621094 65.4569118275977 65.4569118275977 65.4569118275977 1 1 0 3023 Inf -1 0.5
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7430 M577T2580 M576.8T43 576.799987792969 576.799987792969 576.799987792969 43.0062680813335 43.0062680813335 43.0062680813335 1 0 1 5690 Inf 5.59402985074649 0.112613924217289
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7431 M577T2606 M577T43.4 577 577 577 43.4379381126804 43.4379381126804 43.4379381126804 2 1 0 100 6.36154092965048 -0.945513377475566 0.514310568953043
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7432 M577T3700 M577T61.7 577 577 577 61.6669788967231 61.6669788967231 61.6669788967231 1 1 0 4200 Inf -1 0.5
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7433 M577T3272 M577T54.5 577 577 577 54.537605802131 54.537605802131 54.537605802131 1 1 0 5007 8.1558269121153 -0.870866550776437 0.540421038411071
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7434 M577T2837 M577T47.3 577 577 577 47.2825728692538 47.2825728692538 47.2825728692538 1 1 0 125 1.33580605538072 0.201244694934619 0.860411867746033
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7435 M577T3731 M577T62.2 577 577 577 62.1884253528936 62.1884253528936 62.1884253528936 1 1 0 3588 11.3924921845912 -0.908728814711531 0.528560847589909
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7436 M577T3406 M577T56.8 577 577 577 56.7596900619163 56.7596900619163 56.7596900619163 1 0 1 1335 3.58877376163006 0.719698003838424 0.601969017087125
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
7437 M577T3695 M577.1T61.6 577.100036621094 577.100036621094 577.100036621094 61.5830738323386 61.5830738323386 61.5830738323386 1 0 1 621 23.5820679086814 1.0542086674532 0.482602160295116
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7438 M577T2855 M577.2T47.6 577.200012207031 577.200012207031 577.200012207031 47.5916542032902 47.5819289669518 47.6013794396285 2 1 1 [161][M+1]- 111 1.39815867220142 0.494063856761377 0.697161687658674
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7439 M577T4149 M577.2T69.1 577.200012207031 577.200012207031 577.200012207031 69.143594352247 69.143594352247 69.143594352247 1 0 1 5623 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7440 M577T3925 M577.2T65.4 577.200012207031 577.200012207031 577.200012207031 65.4232776298017 65.4232776298017 65.4232776298017 1 0 1 3024 2.22750023715628 0.502729578893377 0.683306673945458
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7441 M577T4187 M577.2T69.8 577.200012207031 577.200012207031 577.200012207031 69.7857137166616 69.7857137166616 69.7857137166616 1 0 1 6066 3.93935673826538 0.7232135923242 0.589881148455289
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7442 M577T4124 M577.3T68.7 577.299987792969 577.299987792969 577.299987792969 68.7305723875391 68.6550448101035 68.8060999649748 2 1 1 29 2.94504334966555 -0.653712502501041 0.615374829930293
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7443 M577T3963 M577.3T66.1 577.299987792969 577.299987792969 577.299987792969 66.0579353422806 66.0579353422806 66.0579353422806 1 0 1 36 2.10963566067164 0.492689670062434 0.688427480932205
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7444 M577T2603 M577.3T43.4 577.299987792969 577.299987792969 577.299987792969 43.3833444711501 43.3833444711501 43.3833444711501 1 0 1 5250 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7445 M577T3652 M577.4T60.9 577.400024414062 577.400024414062 577.400024414062 60.8739602112696 60.86512245267 60.8827979698692 2 1 1 2412 1.44207191048378 -0.251911377060924 0.827149680356258
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7446 M577T3824 M577.4T63.7 577.400024414062 577.400024414062 577.400024414062 63.7412461334976 63.7412461334976 63.7412461334976 2 0 1 [M+Cl]- 542.429 [M-H]- 578.411 33 1.01529556653129 0.0107438741627083 0.992403408459538
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7447 M577T4141 M577.4T69 577.400024414062 577.400024414062 577.400024414062 69.0161660796057 69.0161660796057 69.0161660796057 1 1 0 110 1.10445922264332 0.0703401741496824 0.950387262995637
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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diff changeset
7448 M577T4129 M577.4T68.8 577.400024414062 577.400024414062 577.400024414062 68.8126958990395 68.8126958990395 68.8126958990395 1 0 1 [160][M+2]- 23 11.1676813967022 0.91655706345261 0.526157044954203
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7449 M577T3469 M577.4T57.8 577.400024414062 577.400024414062 577.400024414062 57.8115779640251 57.8115779640251 57.8115779640251 1 0 1 3108 8.05970826885747 6.28350611235963 0.0475382477653383
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7450 M577T2884 M577.4T48.1 577.400024414062 577.400024414062 577.400024414062 48.0628003565 48.0628003565 48.0628003565 1 1 0 5504 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7451 M577T3971 M577.4T66.2 577.400024414062 577.400024414062 577.400024414062 66.1887331316529 66.1887331316529 66.1887331316529 1 0 1 [M-H]- 578.411 36 2.30174265202457 0.535399319596378 0.667868687555171
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7452 M577T4175 M577.4T69.6 577.400024414062 577.400024414062 577.400024414062 69.5904079700352 69.5904079700352 69.5904079700352 1 1 0 [162][M]- 115 1.51632381893918 0.536264661367671 0.661603276330735
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7453 M577T3010 M577.4T50.2 577.400024414062 577.400024414062 577.400024414062 50.1650871379422 50.1650871379422 50.1650871379422 1 0 1 2092 Inf 2.20545184211643 0.271006409212553
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7454 M577T3602 M577.4T60 577.400024414062 577.400024414062 577.400024414062 60.040359198069 60.040359198069 60.040359198069 1 0 1 1440 1.63652850518133 0.486359012830746 0.710279582712987
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7455 M577T3797 M577.4T63.3 577.400024414062 577.400024414062 577.400024414062 63.2756641206997 63.2756641206997 63.2756641206997 1 1 0 123 2.25630358231839 0.515275652538521 0.677887900305745
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7456 M577T3443 M577.4T57.4 577.400024414062 577.400024414062 577.400024414062 57.3801896141091 57.3801896141091 57.3801896141091 1 1 0 2936 6.8781264159646 -0.845719983516664 0.548409574800413
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7457 M577T2707 M577.4T45.1 577.400024414062 577.400024414062 577.400024414062 45.1091035113845 45.1091035113845 45.1091035113845 1 0 1 4882 12.0784615581077 3.403979953979 0.147016464064198
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7458 M577T2667 M577.4T44.4 577.400024414062 577.400024414062 577.400024414062 44.4498780174902 44.4498780174902 44.4498780174902 1 0 1 4063 5.33396587060086 1.04619742444287 0.470048000756949
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7459 M578T3296_1 M577.5T54.9_1 577.5 577.5 577.5 54.9331519056266 54.9331519056266 54.9331519056266 2 0 1 52 14.7371305625919 0.931059508518811 0.522139448880115
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7460 M578T4169 M577.5T69.5 577.5 577.5 577.5 69.4791896480895 69.4791896480895 69.4791896480895 1 0 1 5937 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7461 M578T4183 M577.5T69.7 577.5 577.5 577.5 69.7236172583463 69.7236172583463 69.7236172583463 1 1 0 6028 4.35085040055192 -0.750589505453835 0.580136529904747
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7462 M578T3335 M577.5T55.6 577.5 577.5 577.5 55.5910595484731 55.5910595484731 55.5910595484731 1 0 1 1125 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7463 M578T4234 M577.5T70.6 577.5 577.5 577.5 70.5609203793839 70.5609203793839 70.5609203793839 1 1 0 6137 1.06846733668335 -0.0467855758421311 0.966952148096458
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7464 M578T3134 M577.5T52.2 577.5 577.5 577.5 52.2282444037285 52.2282444037285 52.2282444037285 1 0 1 5004 Inf 1.59815545025473 0.355945495672489
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7465 M578T2694 M577.6T44.9 577.600036621094 577.600036621094 577.600036621094 44.89885670651 44.89885670651 44.89885670651 1 0 1 5710 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7466 M578T3507 M577.6T58.4 577.600036621094 577.600036621094 577.600036621094 58.4452863170151 58.4452863170151 58.4452863170151 1 0 1 3400 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7467 M578T2950 M577.6T49.2 577.600036621094 577.600036621094 577.600036621094 49.1632759659363 49.1632759659363 49.1632759659363 1 0 1 3206 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7468 M578T2628 M577.7T43.8 577.700012207031 577.700012207031 577.700012207031 43.8030341593415 43.8030341593415 43.8030341593415 1 0 1 2688 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7469 M578T2826 M577.8T47.1 577.799987792969 577.799987792969 577.799987792969 47.0962298327086 47.0962298327086 47.0962298327086 1 1 0 4591 4.97402392511704 -0.783282629534035 0.568899655734083
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7470 M578T2791 M577.8T46.5 577.799987792969 577.799987792969 577.799987792969 46.5170629593961 46.5170629593961 46.5170629593961 1 0 1 929 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7471 M578T3283 M577.9T54.7 577.900024414062 577.900024414062 577.900024414062 54.7231998769429 54.7231998769429 54.7231998769429 1 0 1 1214 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7472 M578T2529 M577.9T42.2 577.900024414062 577.900024414062 577.900024414062 42.1574611378167 42.1574611378167 42.1574611378167 1 0 1 5606 2.64616680707682 -0.581927891237083 0.646324672841149
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7473 M578T2755 M577.9T45.9 577.900024414062 577.900024414062 577.900024414062 45.9108043388673 45.9108043388673 45.9108043388673 1 0 1 4611 2.25859719014044 0.544833052380872 0.676130501323535
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7474 M578T2627 M577.9T43.8 577.900024414062 577.900024414062 577.900024414062 43.7802861110493 43.7802861110493 43.7802861110493 1 1 0 2689 3.46231171172512 -0.683248266623954 0.604735243228639
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7475 M578T2823 M577.9T47.1 577.900024414062 577.900024414062 577.900024414062 47.050398741134 47.050398741134 47.050398741134 1 0 1 3314 9.98726977412798 1.41289123412448 0.383861170765708
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7476 M578T3397 M578T56.6 578 578 578 56.6125232426659 56.5744464204614 56.6506000648704 2 1 1 461 2.453839078527 0.54866437540496 0.661354522439674
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7477 M578T3296_2 M578T54.9_2 578 578 578 54.9331519056266 54.9331519056266 54.9331519056266 1 0 1 2593 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7478 M578T3525_1 M578T58.8_1 578 578 578 58.7535947597625 58.7535947597625 58.7535947597625 1 0 1 432 1.49805985435012 -0.276521461274555 0.811416887522393
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7479 M578T2863 M578T47.7 578 578 578 47.7125644540217 47.7125644540217 47.7125644540217 1 0 1 3658 5.38288403244635 0.80052922745966 0.563126072838156
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7480 M578T3664 M578.1T61.1 578.100036621094 578.100036621094 578.100036621094 61.0616722596106 61.0616722596106 61.0616722596106 1 0 1 2 4.32078727585411 -1.50279994588062 0.311016525339243
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7481 M578T3753 M578.1T62.6 578.100036621094 578.100036621094 578.100036621094 62.5535284842697 62.5535284842697 62.5535284842697 1 0 1 1031 Inf 4.36961241547461 0.143226067167593
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7482 M578T3649 M578.2T60.8 578.200012207031 578.200012207031 578.200012207031 60.8136776214434 60.8136776214434 60.8136776214434 1 1 0 1528 1.4879655113126 -1.75586319533236 0.304448377603102
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7483 M578T4253 M578.2T70.9 578.200012207031 578.200012207031 578.200012207031 70.8868858483176 70.8868858483176 70.8868858483176 1 0 1 291 1.65506329113938 0.338759834431705 0.773046237252392
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7484 M578T3879 M578.2T64.7 578.200012207031 578.200012207031 578.200012207031 64.657672575936 64.657672575936 64.657672575936 1 1 0 2756 1.70321166052675 0.356042619099292 0.762781945138659
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7485 M578T3821 M578.2T63.7 578.200012207031 578.200012207031 578.200012207031 63.6762614084037 63.6762614084037 63.6762614084037 1 0 1 1896 2.14684197675025 0.484243223935828 0.692539451205915
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7486 M578T4075 M578.2T67.9 578.200012207031 578.200012207031 578.200012207031 67.9195894950223 67.9195894950223 67.9195894950223 1 0 1 3912 4.00536261715782 0.727988893877967 0.588157522018226
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7487 M578T3932 M578.3T65.5 578.299987792969 578.299987792969 578.299987792969 65.5404546042375 65.5404546042375 65.5404546042375 2 1 0 2951 4.59464700092829 -0.855879663126387 0.543198284760349
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7488 M578T2852 M578.3T47.5 578.299987792969 578.299987792969 578.299987792969 47.5401992175178 47.4984694680838 47.5819289669518 2 1 1 [M+Cl]- 543.329 111 2.84152940972 -0.919816314247312 0.474903750128893
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7489 M578T3277 M578.3T54.6 578.299987792969 578.299987792969 578.299987792969 54.6180701143941 54.6180701143941 54.6180701143941 1 0 1 1220 4.65975458744331 1.6351841750148 0.285614030864372
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7490 M578T4118 M578.3T68.6 578.299987792969 578.299987792969 578.299987792969 68.6287722971562 68.6287722971562 68.6287722971562 1 0 1 4541 17.2310074377715 0.975836288020901 0.507778660628573
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7491 M578T3850 M578.3T64.2 578.299987792969 578.299987792969 578.299987792969 64.1652973195444 64.1652973195444 64.1652973195444 1 1 0 [M+Cl+CF3COOH]- 429.337 21 1.78504526226862 -0.756440829603891 0.574439565064447
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7492 M578T3806 M578.3T63.4 578.299987792969 578.299987792969 578.299987792969 63.4324541135946 63.4324541135946 63.4324541135946 1 1 0 4187 1.28075361209226 0.29915352842445 0.793342995651862
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7493 M578T3600 M578.3T60 578.299987792969 578.299987792969 578.299987792969 59.9953150282766 59.9953150282766 59.9953150282766 1 1 0 1435 1.46601643101055 -0.43668054540189 0.705108373903936
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7494 M578T4129 M578.4T68.8 578.400024414062 578.400024414062 578.400024414062 68.8225272500634 68.8126958990395 68.8323586010873 2 1 1 [160][M+3]- 23 1.39473165702279 0.23488494842758 0.838385491188884
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7495 M578T4179 M578.4T69.7 578.400024414062 578.400024414062 578.400024414062 69.6511445440423 69.642584100626 69.6597049874586 2 1 1 [162][M+1]- 115 1.18808816020042 -0.178012930157721 0.875379983167075
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7496 M578T3948 M578.4T65.8 578.400024414062 578.400024414062 578.400024414062 65.8004117494083 65.8004117494083 65.8004117494083 1 1 0 3745 1.03102685497658 0.0220986425930948 0.984376437772603
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7497 M578T3025 M578.4T50.4 578.400024414062 578.400024414062 578.400024414062 50.420031836573 50.420031836573 50.420031836573 1 1 0 2126 3.38178360005528 -3.03253895903065 0.200334085521037
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7498 M578T3711 M578.4T61.9 578.400024414062 578.400024414062 578.400024414062 61.8501716451439 61.8501716451439 61.8501716451439 1 1 0 1206 3.90619621459781 -0.913430865253406 0.50580416080794
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7499 M578T3834 M578.4T63.9 578.400024414062 578.400024414062 578.400024414062 63.903380773541 63.903380773541 63.903380773541 1 1 0 3346 1.27614528527841 -0.178293793211332 0.875318021422562
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7500 M578T3122 M578.4T52 578.400024414062 578.400024414062 578.400024414062 52.0322931488955 52.0322931488955 52.0322931488955 1 0 1 149 1.28953045709999 0.177426195619362 0.876406126079805
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7501 M578T3525_2 M578.5T58.8_2 578.5 578.5 578.5 58.7535947597625 58.7535947597625 58.7535947597625 1 0 1 433 Inf 1 0.5
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7502 M578T2710 M578.5T45.2 578.5 578.5 578.5 45.1708376810117 45.1708376810117 45.1708376810117 1 0 1 5880 4.83608757571225 0.776788358102038 0.571099977811414
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7503 M579T2700 M578.7T45 578.700012207031 578.700012207031 578.700012207031 45.004203542541 45.004203542541 45.004203542541 1 0 1 136 Inf 1 0.5
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7504 M579T2614 M578.7T43.6 578.700012207031 578.700012207031 578.700012207031 43.5683547793471 43.5683547793471 43.5683547793471 1 1 0 5805 Inf -1.40462427745664 0.39387069490687
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7505 M579T2689 M578.8T44.8 578.799987792969 578.799987792969 578.799987792969 44.8156498104774 44.8156498104774 44.8156498104774 1 0 1 680 Inf 1 0.5
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7506 M579T3173 M578.9T52.9 578.900024414062 578.900024414062 578.900024414062 52.8906029138105 52.8906029138105 52.8906029138105 1 0 1 747 Inf 1 0.5
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7507 M579T3239 M578.9T54 578.900024414062 578.900024414062 578.900024414062 53.9897560694855 53.9897560694855 53.9897560694855 1 0 1 3473 Inf 1 0.5
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7508 M579T2828 M578.9T47.1 578.900024414062 578.900024414062 578.900024414062 47.1285769709032 47.1285769709032 47.1285769709032 1 0 1 121 Inf 4.89373123782508 0.128322216815498
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7509 M579T3129 M579T52.1 579 579 579 52.1429992675103 52.1429992675103 52.1429992675103 1 1 0 5319 2.4566604056595 -0.549187568593742 0.661112547100742
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7510 M579T2846 M579T47.4 579 579 579 47.4264275431257 47.4264275431257 47.4264275431257 1 1 0 5533 3.59493830906117 -0.695427015384557 0.600124605517315
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7511 M579T3335 M579T55.6 579 579 579 55.591099298546 55.591099298546 55.591099298546 1 0 1 15 Inf 9.62195043754265 0.0659265938021627
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7512 M579T2742 M579T45.7 579 579 579 45.7053614527651 45.7053614527651 45.7053614527651 1 0 1 4612 2.2071114768129 0.811380856519577 0.522940068824383
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7513 M579T2526 M579T42.1 579 579 579 42.1028495766058 42.1028495766058 42.1028495766058 1 1 0 5963 1.01189689358889 0.0098283017315837 0.993153917392413
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7514 M579T2789 M579.1T46.5 579.100036621094 579.100036621094 579.100036621094 46.4906461390584 46.4743610582872 46.5420360174014 4 2 2 [163][M]- 12 1.0049232386873 0.00872290769361814 0.99387821613696
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7515 M579T4269 M579.2T71.1 579.200012207031 579.200012207031 579.200012207031 71.1477191816509 71.1477191816509 71.1477191816509 1 0 1 6241 Inf 1 0.5
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7516 M579T2784 M579.2T46.4 579.200012207031 579.200012207031 579.200012207031 46.3924307296657 46.3924307296657 46.3924307296657 1 0 1 930 Inf 1 0.5
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7517 M579T2802 M579.2T46.7 579.200012207031 579.200012207031 579.200012207031 46.7039268768081 46.7039268768081 46.7039268768081 1 1 0 154 2.77806980636882 -0.639999906792359 0.637543515016914
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7518 M579T3816 M579.3T63.6 579.299987792969 579.299987792969 579.299987792969 63.6026052962216 63.5166230732481 63.6885875191952 2 1 1 [164][M]- 46 1.45463924947387 -0.504528002135594 0.701353725962255
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7519 M579T3957 M579.3T66 579.299987792969 579.299987792969 579.299987792969 65.9533087445668 65.8525379560735 66.0540795330602 2 1 1 5401 1.73106292325739 -0.660897098058174 0.598616851325095
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7520 M579T2913 M579.3T48.5 579.299987792969 579.299987792969 579.299987792969 48.5481814919484 48.5481814919484 48.5481814919484 1 1 0 [M-H-H2O]- 598.31 56 2.73883161119268 -0.63488040312308 0.639881298246122
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7521 M579T3234 M579.3T53.9 579.299987792969 579.299987792969 579.299987792969 53.8944810816496 53.8944810816496 53.8944810816496 1 0 1 2693 6.36776890282038 2.29172157280085 0.197893800531983
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7522 M579T2883 M579.3T48.1 579.299987792969 579.299987792969 579.299987792969 48.0517104703616 48.0517104703616 48.0517104703616 1 1 0 5505 1.29335770884055 -0.292898946055902 0.818374955974516
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7523 M579T4135 M579.3T68.9 579.299987792969 579.299987792969 579.299987792969 68.9111583876206 68.9111583876206 68.9111583876206 1 1 0 99 1.22528989462413 -0.1700730614085 0.880833005415685
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7524 M579T3500 M579.4T58.3 579.400024414062 579.400024414062 579.400024414062 58.3265122292451 58.2529507086965 58.3748252024416 3 2 1 [M-2H+Na]- 558.412 76 4.75288919849835 -1.09364046414287 0.471518310685373
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7525 M579T4126 M579.4T68.8 579.400024414062 579.400024414062 579.400024414062 68.7699940143081 68.7601422840924 68.7798457445238 2 1 1 [160][M+4]- 23 1.80139076686132 0.465450643628197 0.699914584569485
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7526 M579T3340 M579.4T55.7 579.400024414062 579.400024414062 579.400024414062 55.6709307995349 55.6709307995349 55.6709307995349 1 0 1 5513 Inf 1 0.5
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7527 M579T3328 M579.4T55.5 579.400024414062 579.400024414062 579.400024414062 55.4620905826162 55.4620905826162 55.4620905826162 1 0 1 1126 Inf 1 0.5
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7528 M579T2921 M579.4T48.7 579.400024414062 579.400024414062 579.400024414062 48.6765065630123 48.6765065630123 48.6765065630123 1 1 0 2862 Inf -1 0.5
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7529 M580T3296 M579.5T54.9 579.5 579.5 579.5 54.9340092491062 54.9340092491062 54.9340092491062 1 1 0 2610 Inf -1 0.5
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7530 M580T3673 M579.5T61.2 579.5 579.5 579.5 61.2182231708786 61.2182231708786 61.2182231708786 1 0 1 457 3.33996162101251 0.67115852969561 0.609388985001606
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7531 M580T4045 M579.5T67.4 579.5 579.5 579.5 67.4113832176194 67.4113832176194 67.4113832176194 1 0 1 4126 Inf 1 0.5
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7532 M580T2583 M579.5T43 579.5 579.5 579.5 43.0467047793471 43.0467047793471 43.0467047793471 1 1 0 5691 Inf -1 0.5
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7533 M580T2522 M579.7T42 579.700012207031 579.700012207031 579.700012207031 42.0270444711501 42.0270444711501 42.0270444711501 1 0 1 5064 6.28373738058089 0.830409378134149 0.553336589639932
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7534 M580T2692 M579.8T44.9 579.799987792969 579.799987792969 579.799987792969 44.8716358855293 44.8716358855293 44.8716358855293 1 1 0 5874 Inf -1.28485112319904 0.421040359961579
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7535 M580T2864 M579.8T47.7 579.799987792969 579.799987792969 579.799987792969 47.7276981979435 47.7276981979435 47.7276981979435 1 1 0 3659 Inf -1 0.5
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7536 M580T2526 M579.8T42.1 579.799987792969 579.799987792969 579.799987792969 42.1077214460137 42.1077214460137 42.1077214460137 1 1 0 5964 Inf -1 0.5
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7537 M580T3494 M579.9T58.2 579.900024414062 579.900024414062 579.900024414062 58.2266815549943 58.2266815549943 58.2266815549943 1 1 0 3514 Inf -1.28964692947426 0.419891283245017
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7538 M580T2540 M579.9T42.3 579.900024414062 579.900024414062 579.900024414062 42.3400278044834 42.3400278044834 42.3400278044834 1 0 1 5557 Inf 2.92762907316534 0.209542204918688
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7539 M580T2520 M579.9T42 579.900024414062 579.900024414062 579.900024414062 41.9985162432725 41.9985162432725 41.9985162432725 1 1 0 5065 Inf -1 0.5
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7540 M580T2694 M579.9T44.9 579.900024414062 579.900024414062 579.900024414062 44.89885670651 44.89885670651 44.89885670651 1 0 1 5711 4.79370273493538 0.997103041884371 0.483272136918982
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7541 M580T4354 M579.9T72.6 579.900024414062 579.900024414062 579.900024414062 72.5711124072004 72.5711124072004 72.5711124072004 1 0 1 6245 Inf 1 0.5
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7542 M580T3497 M580T58.3 580 580 580 58.2751090000565 58.2751090000565 58.2751090000565 1 0 1 3515 6.13008074178357 1.14185112259331 0.455964322171024
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7543 M580T2787 M580.1T46.4 580.100036621094 580.100036621094 580.100036621094 46.4484203110933 46.4451542533488 46.4670382320035 5 2 2 [163][M+1]- 12 1.27940663826667 0.494713243831993 0.676131787178095
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7544 M580T3340 M580.1T55.7 580.100036621094 580.100036621094 580.100036621094 55.6709307995349 55.6709307995349 55.6709307995349 1 0 1 5514 Inf 1 0.5
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7545 M580T4209 M580.1T70.1 580.100036621094 580.100036621094 580.100036621094 70.1493728202669 70.1493728202669 70.1493728202669 1 0 1 4945 1.91172622086823 0.422589527819512 0.724984557660585
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7546 M580T3310 M580.1T55.2 580.100036621094 580.100036621094 580.100036621094 55.1692582034151 55.1692582034151 55.1692582034151 1 0 1 563 2.08924753023176 0.518309515372781 0.693973779194285
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7547 M580T3377 M580.2T56.3 580.200012207031 580.200012207031 580.200012207031 56.2853419111995 56.2853419111995 56.2853419111995 1 0 1 [M+Cl]- 545.228 25 1.90601601125936 3.62342938808081 0.167288008841115
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7548 M580T3364 M580.2T56.1 580.200012207031 580.200012207031 580.200012207031 56.0700034534047 56.0700034534047 56.0700034534047 1 0 1 [M-2H+Na]- 559.229 [M-H-CH2]- 595.211 126 1.62870959335549 0.982773023130337 0.430498457443631
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7549 M580T3288 M580.2T54.8 580.200012207031 580.200012207031 580.200012207031 54.8019619815078 54.8019619815078 54.8019619815078 1 0 1 [M+Cl]- 545.233 [M-H]- 581.209 38 2.37953641683142 1.64979025325755 0.32854473176416
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7550 M580T3858 M580.2T64.3 580.200012207031 580.200012207031 580.200012207031 64.2965273024001 64.2965273024001 64.2965273024001 1 1 0 1426 1.17665069885744 0.114397378176027 0.919612015025027
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7551 M580T4106 M580.2T68.4 580.200012207031 580.200012207031 580.200012207031 68.4388265657596 68.4388265657596 68.4388265657596 1 1 0 5649 Inf -1.1342727641104 0.460001276576412
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7552 M580T3119 M580.2T52 580.200012207031 580.200012207031 580.200012207031 51.9795378221015 51.9795378221015 51.9795378221015 1 0 1 5036 1.91497536804972 0.732011639894011 0.59767378322189
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7553 M580T3967 M580.2T66.1 580.200012207031 580.200012207031 580.200012207031 66.1139558526 66.1139558526 66.1139558526 1 1 0 2067 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7554 M580T3567 M580.2T59.4 580.200012207031 580.200012207031 580.200012207031 59.4470878514955 59.4470878514955 59.4470878514955 1 0 1 [M-H]- 581.205 27 1.57168275097014 1.04324783499588 0.47879017140752
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7555 M580T2794 M580.2T46.6 580.200012207031 580.200012207031 580.200012207031 46.574685052508 46.574685052508 46.574685052508 1 1 0 [165][M]- 931 3.94833310490798 -2.21824622162168 0.1589978040041
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7556 M580T4279 M580.2T71.3 580.200012207031 580.200012207031 580.200012207031 71.3120066931594 71.3120066931594 71.3120066931594 1 1 0 266 1.50958206028183 0.400938941900881 0.730368379136673
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7557 M580T2747 M580.2T45.8 580.200012207031 580.200012207031 580.200012207031 45.7754586791105 45.7754586791105 45.7754586791105 1 0 1 114 1.67744914781689 -0.779127567555934 0.550145712742041
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7558 M580T4127 M580.3T68.8 580.299987792969 580.299987792969 580.299987792969 68.7864186597941 68.7273495296124 68.7864186597941 3 1 1 23 2.25968637691217 0.808727023416457 0.549448742444897
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7559 M580T3813 M580.3T63.5 580.299987792969 580.299987792969 580.299987792969 63.5434136843954 63.5434136843954 63.5434136843954 1 1 0 [164][M+1]- 46 2.38174616489124 -1.03121613957702 0.489341758652957
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7560 M580T3326 M580.3T55.4 580.299987792969 580.299987792969 580.299987792969 55.4322087716037 55.4322087716037 55.4322087716037 1 0 1 1083 Inf 3.50581015701919 0.176892334060581
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7561 M580T4135 M580.4T68.9 580.400024414062 580.400024414062 580.400024414062 68.9111583876206 68.9111583876206 68.9111583876206 1 1 0 [M-H]- 581.413 99 209.284347963439 -2.54543706670582 0.238249688446498
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7562 M580T3870 M580.5T64.5 580.5 580.5 580.5 64.5007646161753 64.5007646161753 64.5007646161753 1 1 0 [M-H-H2]- 583.511 21 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7563 M580T4259 M580.5T71 580.5 580.5 580.5 70.9800790738671 70.9800790738671 70.9800790738671 1 0 1 6198 Inf 1 0.5
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7564 M580T4143 M580.5T69 580.5 580.5 580.5 69.0424107210837 69.0424107210837 69.0424107210837 1 1 0 4248 Inf -1 0.5
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7565 M581T2658 M580.8T44.3 580.799987792969 580.799987792969 580.799987792969 44.3054196313544 44.3054196313544 44.3054196313544 1 1 0 4064 1.73303488581546 -0.366361318533624 0.7567393593137
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7566 M581T2811 M580.8T46.8 580.799987792969 580.799987792969 580.799987792969 46.8443193592914 46.8443193592914 46.8443193592914 1 0 1 3315 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7567 M581T2910 M580.9T48.5 580.900024414062 580.900024414062 580.900024414062 48.4968397186701 48.4968397186701 48.4968397186701 1 1 0 2788 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7568 M581T2756 M580.9T45.9 580.900024414062 580.900024414062 580.900024414062 45.9313544245347 45.9313544245347 45.9313544245347 1 1 0 5825 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7569 M581T2644 M580.9T44.1 580.900024414062 580.900024414062 580.900024414062 44.0665109372853 44.0665109372853 44.0665109372853 1 1 0 5656 5.16579114221536 -0.791720892562527 0.56606252937731
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7570 M581T2881 M581T48 581 581 581 48.010657199321 48.010657199321 48.010657199321 1 1 0 4724 5.59809259695556 -1.67074908947361 0.29848779684687
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7571 M581T3498 M581T58.3 581 581 581 58.2921002917181 58.2921002917181 58.2921002917181 1 0 1 3401 Inf 1 0.5
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7572 M581T3261 M581T54.4 581 581 581 54.353057603626 54.353057603626 54.353057603626 1 1 0 3613 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7573 M581T3766 M581T62.8 581 581 581 62.7689282172037 62.7689282172037 62.7689282172037 1 1 0 1012 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7574 M581T2786 M581.1T46.4 581.100036621094 581.100036621094 581.100036621094 46.4397287456349 46.4310371801766 46.4484203110933 2 1 1 [163][M+2]- 12 1.22207336041392 -0.240368937343046 0.84789907270121
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7575 M581T4064 M581.1T67.7 581.100036621094 581.100036621094 581.100036621094 67.7357474354811 67.7357474354811 67.7357474354811 1 0 1 5801 7.67111030785694 0.862344503448665 0.543115651544543
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7576 M581T4258 M581.1T71 581.100036621094 581.100036621094 581.100036621094 70.9651358483176 70.9651358483176 70.9651358483176 1 0 1 6199 2.00673400673407 0.44901526001539 0.71076822900996
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7577 M581T3903 M581.1T65 581.100036621094 581.100036621094 581.100036621094 65.0478194774903 65.0478194774903 65.0478194774903 1 1 0 4790 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7578 M581T3639 M581.1T60.6 581.100036621094 581.100036621094 581.100036621094 60.6479941909217 60.6479941909217 60.6479941909217 1 0 1 2845 1.45731111671279 0.340917939772642 0.766004262351358
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7579 M581T4225 M581.2T70.4 581.200012207031 581.200012207031 581.200012207031 70.4171804896116 70.4171804896116 70.4171804896116 1 0 1 5432 11.9359384013157 1.33685799250615 0.404009223874978
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7580 M581T2784 M581.2T46.4 581.200012207031 581.200012207031 581.200012207031 46.3924307296657 46.3924307296657 46.3924307296657 1 0 1 [165][M+1]- 932 3.48890304264466 2.45594463664138 0.235771854363976
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7581 M581T3309 M581.3T55.1 581.299987792969 581.299987792969 581.299987792969 55.1430121663691 55.1430121663691 55.1430121663691 1 0 1 564 1.10188769330561 -0.0835681214102041 0.941803149842591
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7582 M581T2873 M581.3T47.9 581.299987792969 581.299987792969 581.299987792969 47.8897568351542 47.8897568351542 47.8897568351542 1 0 1 4772 5.03158178665306 1.0850943136925 0.473377506970061
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7583 M581T3952 M581.3T65.9 581.299987792969 581.299987792969 581.299987792969 65.8749118479471 65.8749118479471 65.8749118479471 1 0 1 5464 10.7825441998324 1.45404395234534 0.37603539693093
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7584 M581T4262 M581.3T71 581.299987792969 581.299987792969 581.299987792969 71.0322457405337 71.0322457405337 71.0322457405337 1 0 1 268 1.46411001504695 0.284265500876577 0.811269391771675
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7585 M581T2810 M581.3T46.8 581.299987792969 581.299987792969 581.299987792969 46.8328732615757 46.8328732615757 46.8328732615757 1 1 0 5750 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7586 M581T3427 M581.3T57.1 581.299987792969 581.299987792969 581.299987792969 57.1090612789796 57.1090612789796 57.1090612789796 1 0 1 5275 1.39921228070722 -0.634241363490086 0.639797865050914
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7587 M581T3577 M581.3T59.6 581.299987792969 581.299987792969 581.299987792969 59.6168033121876 59.6168033121876 59.6168033121876 1 0 1 [M-H]- 582.31 1628 9.34938965564409 0.887976279405088 0.535042737064845
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7588 M581T3807 M581.4T63.5 581.400024414062 581.400024414062 581.400024414062 63.4513252462169 63.3827143219229 63.6680556266083 3 2 1 [166][M]- 3723 1.06370622491643 0.0449233691947925 0.968287918795267
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7589 M581T3968 M581.4T66.1 581.400024414062 581.400024414062 581.400024414062 66.1364063612123 66.1364063612123 66.1364063612123 1 0 1 [167][M]- [M-H]- 582.41 36 1.70005912549679 0.414162629595202 0.733187840240161
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7590 M581T2886 M581.4T48.1 581.400024414062 581.400024414062 581.400024414062 48.1043065568547 48.1043065568547 48.1043065568547 1 1 0 194 16.182205533605 -0.93641744433142 0.519945166624923
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7591 M581T2579 M581.4T43 581.400024414062 581.400024414062 581.400024414062 42.9896495766058 42.9896495766058 42.9896495766058 1 1 0 4082 Inf -1.5307543735705 0.368394310341348
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7592 M581T2934 M581.4T48.9 581.400024414062 581.400024414062 581.400024414062 48.8971335724859 48.8971335724859 48.8971335724859 1 1 0 2824 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7593 M582T2676 M581.5T44.6 581.5 581.5 581.5 44.6074742963545 44.6074742963545 44.6074742963545 1 1 0 681 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7594 M582T3698 M581.5T61.6 581.5 581.5 581.5 61.6351447488872 61.6351447488872 61.6351447488872 1 0 1 4195 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7595 M582T3979 M581.5T66.3 581.5 581.5 581.5 66.3168913366957 66.3168913366957 66.3168913366957 1 0 1 2068 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7596 M582T3766 M581.5T62.8 581.5 581.5 581.5 62.7689282172037 62.7689282172037 62.7689282172037 1 1 0 1013 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7597 M582T2668 M581.6T44.5 581.600036621094 581.600036621094 581.600036621094 44.4659690298216 44.4659690298216 44.4659690298216 1 0 1 4065 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7598 M582T2724 M581.9T45.4 581.900024414062 581.900024414062 581.900024414062 45.3990336112615 45.3990336112615 45.3990336112615 1 1 0 2448 1.51242644320357 -0.520764429538364 0.654669751804368
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7599 M582T2566 M581.9T42.8 581.900024414062 581.900024414062 581.900024414062 42.7597881126804 42.7597881126804 42.7597881126804 1 1 0 5869 1.87669683257919 -0.412272712430399 0.730659229171883
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7600 M582T3501 M582T58.3 582 582 582 58.3457013995553 58.3227923093105 58.3686104898001 2 1 1 [M-2H+Na]- 561.012 76 1.57541244164608 -0.347740991080553 0.778982485763804
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7601 M582T3073 M582T51.2 582 582 582 51.2135936215813 51.2135936215813 51.2135936215813 1 0 1 2442 5.42686954155106 1.54505924982425 0.32536971393446
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7602 M582T3708 M582T61.8 582 582 582 61.7983741443782 61.7983741443782 61.7983741443782 1 1 0 1164 6.05047096315833 -0.823551212928889 0.555561855733413
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7603 M582T3238 M582T54 582 582 582 53.96361463338 53.96361463338 53.96361463338 1 0 1 [M+Cl]- 547.035 54 1.14308224118175 0.109302234534951 0.925289775291825
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7604 M582T3180 M582T53 582 582 582 52.9993792316762 52.9993792316762 52.9993792316762 1 0 1 2210 1.73496961097871 1.15893412264196 0.450626808046281
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7605 M582T3215 M582T53.6 582 582 582 53.5781685456716 53.5781685456716 53.5781685456716 1 0 1 4336 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7606 M582T3508 M582.1T58.5 582.100036621094 582.100036621094 582.100036621094 58.4708890380632 58.4708890380632 58.4708890380632 1 0 1 4537 4.58459752344454 1.61973262849305 0.287366185147336
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7607 M582T3601 M582.1T60 582.100036621094 582.100036621094 582.100036621094 60.0148320162631 60.0148320162631 60.0148320162631 1 0 1 22 2.73935556597691 0.596451294875784 0.639984738546008
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7608 M582T3550 M582.1T59.2 582.100036621094 582.100036621094 582.100036621094 59.1595740226939 59.1595740226939 59.1595740226939 1 0 1 2358 3.24634925420078 1.04860896722485 0.455928865400745
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7609 M582T3926 M582.2T65.4 582.200012207031 582.200012207031 582.200012207031 65.4304591715761 65.4304591715761 65.4304591715761 1 1 0 2949 1.44226530853013 0.279282478996911 0.807205593385887
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7610 M582T4177 M582.2T69.6 582.200012207031 582.200012207031 582.200012207031 69.6189121737951 69.6189121737951 69.6189121737951 1 1 0 115 1.06830562508623 -0.0466788398112433 0.967027386081799
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7611 M582T3473 M582.3T57.9 582.299987792969 582.299987792969 582.299987792969 57.8843027616373 57.8843027616373 57.8843027616373 1 1 0 [M-H]- 583.309 31 1.50769544693651 -0.501738722992601 0.690167563973072
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7612 M582T3848_1 M582.3T64.1_1 582.299987792969 582.299987792969 582.299987792969 64.1355069343933 64.1355069343933 64.1355069343933 1 0 1 1427 3.86560910623219 0.908306645567294 0.529396597180851
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7613 M582T3351 M582.3T55.9 582.299987792969 582.299987792969 582.299987792969 55.8572847012461 55.8572847012461 55.8572847012461 1 0 1 706 1.29767830194646 0.208268272311085 0.861096803458424
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7614 M582T3377 M582.3T56.3 582.299987792969 582.299987792969 582.299987792969 56.2826070826959 56.2826070826959 56.2826070826959 1 0 1 1595 3.53918185102487 9.72654161575375 0.0229587129648208
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7615 M582T3987 M582.3T66.4 582.299987792969 582.299987792969 582.299987792969 66.4499946237471 66.4499946237471 66.4499946237471 1 0 1 4476 Inf 1.77106424855001 0.327227489688402
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7616 M582T3460 M582.4T57.7 582.400024414062 582.400024414062 582.400024414062 57.6639410066056 57.6192757969965 57.7086062162146 2 1 1 1299 1.29077854996135 0.287629433746557 0.820138991785923
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7617 M582T3820 M582.4T63.7 582.400024414062 582.400024414062 582.400024414062 63.6680556266083 63.6680556266083 63.6680556266083 1 1 0 33 1.15343562593985 0.107781381400534 0.924849851317901
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7618 M582T2900 M582.4T48.3 582.400024414062 582.400024414062 582.400024414062 48.3342270223368 48.3342270223368 48.3342270223368 1 0 1 4784 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7619 M582T3807 M582.4T63.5 582.400024414062 582.400024414062 582.400024414062 63.4513252462169 63.4513252462169 63.4513252462169 1 0 1 [166][M+1]- 3720 1.46035353459067 0.275604010802326 0.81488301920919
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7620 M582T3528 M582.4T58.8 582.400024414062 582.400024414062 582.400024414062 58.8052214540047 58.8052214540047 58.8052214540047 1 0 1 434 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7621 M582T2736 M582.4T45.6 582.400024414062 582.400024414062 582.400024414062 45.607100507916 45.607100507916 45.607100507916 1 1 0 4443 Inf -2.20838720594405 0.270688086555212
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7622 M582T2540 M582.4T42.3 582.400024414062 582.400024414062 582.400024414062 42.3400278044834 42.3400278044834 42.3400278044834 1 0 1 5563 1.16063773833003 -0.25947088985878 0.82206027198672
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7623 M582T3016 M582.4T50.3 582.400024414062 582.400024414062 582.400024414062 50.2743535162671 50.2743535162671 50.2743535162671 1 0 1 2093 1.08485007100915 -0.0575086274774035 0.959399395204919
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7624 M582T3970 M582.4T66.2 582.400024414062 582.400024414062 582.400024414062 66.1625684051512 66.1625684051512 66.1625684051512 1 0 1 [167][M+1]- 36 2.39117073195275 0.589832962575486 0.646992796280359
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7625 M582T3725 M582.5T62.1 582.5 582.5 582.5 62.0839038064061 62.0839038064061 62.0839038064061 1 1 0 4686 Inf -2.7098615671686 0.225057750130777
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7626 M582T2894 M582.5T48.2 582.5 582.5 582.5 48.2299333733085 48.2299333733085 48.2299333733085 1 0 1 3848 5.63898080702657 0.81002458961194 0.55998767025889
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7627 M582T3848_2 M582.5T64.1_2 582.5 582.5 582.5 64.1317421799532 64.1317421799532 64.1317421799532 1 1 0 [M-H]- 583.511 21 2.33964943995605 -0.526509458752073 0.671766971833331
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7628 M582T4185 M582.5T69.7 582.5 582.5 582.5 69.7497908732843 69.7497908732843 69.7497908732843 1 1 0 6029 1.81064471315882 0.632242842665936 0.59449884205563
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7629 M583T3933 M582.6T65.6 582.600036621094 582.600036621094 582.600036621094 65.5546993813092 65.5546993813092 65.5546993813092 1 0 1 3025 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7630 M583T2617 M582.6T43.6 582.600036621094 582.600036621094 582.600036621094 43.6180778044834 43.6180778044834 43.6180778044834 1 0 1 5641 9.15309216134594 4.90724387145068 0.0451712631840575
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7631 M583T4208 M582.6T70.1 582.600036621094 582.600036621094 582.600036621094 70.1381993525153 70.1381993525153 70.1381993525153 1 1 0 4946 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7632 M583T2958 M582.8T49.3 582.799987792969 582.799987792969 582.799987792969 49.2918295342363 49.2918295342363 49.2918295342363 1 0 1 3284 3.80886439792395 0.71328091957309 0.593500141155005
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7633 M583T3083 M582.9T51.4 582.900024414062 582.900024414062 582.900024414062 51.3885518689886 51.3885518689886 51.3885518689886 1 0 1 3532 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7634 M583T3006 M582.9T50.1 582.900024414062 582.900024414062 582.900024414062 50.0936487572112 50.0936487572112 50.0936487572112 1 0 1 4095 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7635 M583T2945 M582.9T49.1 582.900024414062 582.900024414062 582.900024414062 49.0910170193413 49.0910170193413 49.0910170193413 1 1 0 3207 Inf -9.39415853337466 0.0675133793044944
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7636 M583T2799 M582.9T46.6 582.900024414062 582.900024414062 582.900024414062 46.6432780857951 46.6432780857951 46.6432780857951 1 1 0 3951 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7637 M583T3169 M582.9T52.8 582.900024414062 582.900024414062 582.900024414062 52.8201062340874 52.8201062340874 52.8201062340874 1 1 0 799 2.28428119361119 -0.785267784113331 0.574492835086673
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7638 M583T3496 M583T58.3 583 583 583 58.2713130322852 58.2713130322852 58.2713130322852 1 1 0 3516 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7639 M583T3145 M583T52.4 583 583 583 52.4097493193418 52.4097493193418 52.4097493193418 1 1 0 3029 2.42555918910161 -0.972857561012561 0.491770715865053
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7640 M583T2937 M583T48.9 583 583 583 48.9484600216724 48.9484600216724 48.9484600216724 1 1 0 2800 2.50155832202227 -1.34500698129813 0.34960105430155
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7641 M583T3402 M583T56.7 583 583 583 56.7068024082299 56.7068024082299 56.7068024082299 1 0 1 1336 1.94353754479896 0.431684239386839 0.720039840313327
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7642 M583T3440 M583T57.3 583 583 583 57.3271125810327 57.3271125810327 57.3271125810327 1 1 0 2937 2.89925635642449 -0.619281801351391 0.630283876815422
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7643 M583T3221 M583.1T53.7 583.100036621094 583.100036621094 583.100036621094 53.6823616160006 53.6823616160006 53.6823616160006 2 1 0 [M+Cl]- 548.13 113 9.88924074910087 -1.05104039184353 0.483287766398096
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7644 M583T2964 M583.1T49.4 583.100036621094 583.100036621094 583.100036621094 49.3949541594699 49.3949541594699 49.3949541594699 1 0 1 3241 1.21141439051807 -0.236868705728056 0.834860143053699
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7645 M583T3854 M583.1T64.2 583.100036621094 583.100036621094 583.100036621094 64.2376507802357 64.2376507802357 64.2376507802357 1 1 0 21 3.32651136847497 -0.669775590023569 0.609926316454095
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7646 M583T3197 M583.1T53.3 583.100036621094 583.100036621094 583.100036621094 53.2855755655575 53.2855755655575 53.2855755655575 1 0 1 1746 23.3057406566676 0.987586291851101 0.503829507074895
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7647 M583T3655 M583.1T60.9 583.100036621094 583.100036621094 583.100036621094 60.9167454656271 60.9167454656271 60.9167454656271 1 1 0 2413 1.060905485387 -0.0553302814513152 0.96387925615951
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7648 M583T3243 M583.1T54.1 583.100036621094 583.100036621094 583.100036621094 54.05229990878 54.05229990878 54.05229990878 1 1 0 80 30.2049466948922 -1.14334624198732 0.457478638761598
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7649 M583T2888 M583.2T48.1 583.200012207031 583.200012207031 583.200012207031 48.1306398534361 48.1306398534361 48.1306398534361 1 1 0 95 3.7748334610033 -1.01076564765726 0.49392898538616
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7650 M583T3182 M583.2T53 583.200012207031 583.200012207031 583.200012207031 53.0253890511655 53.0253890511655 53.0253890511655 1 0 1 2211 20.2224730811777 0.990264063735679 0.502988047541686
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7651 M583T3445 M583.3T57.4 583.299987792969 583.299987792969 583.299987792969 57.4163279271016 57.4163279271016 57.4163279271016 1 1 0 [M+Cl]- 548.333 2916 Inf -1.48584941763605 0.377124146504611
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7652 M583T2904 M583.3T48.4 583.299987792969 583.299987792969 583.299987792969 48.3936003131657 48.3936003131657 48.3936003131657 1 1 0 3928 4.07923627992443 -0.766385633853886 0.577114753717787
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7653 M583T4428 M583.3T73.8 583.299987792969 583.299987792969 583.299987792969 73.7951537127173 73.7951537127173 73.7951537127173 1 1 0 6188 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7654 M583T2956 M583.4T49.3 583.400024414062 583.400024414062 583.400024414062 49.26855457368 49.26855457368 49.26855457368 1 0 1 3208 5.77961904462123 1.21761122454819 0.418362642616072
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7655 M583T3764 M583.4T62.7 583.400024414062 583.400024414062 583.400024414062 62.7261187804133 62.7261187804133 62.7261187804133 1 1 0 960 1.83709187486565 -0.455596897075982 0.727811940231397
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7656 M583T2931 M583.4T48.9 583.400024414062 583.400024414062 583.400024414062 48.8518426113699 48.8518426113699 48.8518426113699 1 0 1 3636 5.23853595717175 1.01784973450919 0.479285576403531
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7657 M583T3951 M583.4T65.9 583.400024414062 583.400024414062 583.400024414062 65.8539086005212 65.8539086005212 65.8539086005212 1 1 0 3742 1.11415852548163 -0.113276411652554 0.927426471787372
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7658 M583T2906 M583.4T48.4 583.400024414062 583.400024414062 583.400024414062 48.4382867648494 48.4382867648494 48.4382867648494 1 0 1 3929 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7659 M583T2581 M583.4T43 583.400024414062 583.400024414062 583.400024414062 43.0206214460137 43.0206214460137 43.0206214460137 1 1 0 5692 2.23804347826089 -0.505057270039936 0.682160398181108
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7660 M584T4174 M583.5T69.6 583.5 583.5 583.5 69.5665514270307 69.5665514270307 69.5665514270307 1 1 0 4373 4.44189230130813 -1.83089407166389 0.231775978945406
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7661 M584T4436 M583.6T73.9 583.600036621094 583.600036621094 583.600036621094 73.9385525149842 73.9385525149842 73.9385525149842 1 0 1 319 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7662 M584T2597 M583.6T43.3 583.600036621094 583.600036621094 583.600036621094 43.2790111378167 43.2790111378167 43.2790111378167 1 0 1 2911 Inf 10.2767016047211 0.0617534501968735
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7663 M584T4143 M583.6T69 583.600036621094 583.600036621094 583.600036621094 69.0424107210837 69.0424107210837 69.0424107210837 1 1 0 4249 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7664 M584T3668 M583.7T61.1 583.700012207031 583.700012207031 583.700012207031 61.1376453253415 61.1376453253415 61.1376453253415 1 1 0 2 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7665 M584T2686 M583.7T44.8 583.700012207031 583.700012207031 583.700012207031 44.7666654287087 44.7666654287087 44.7666654287087 1 0 1 6 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7666 M584T2561 M583.7T42.7 583.700012207031 583.700012207031 583.700012207031 42.6791111378167 42.6791111378167 42.6791111378167 1 0 1 3095 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7667 M584T2587 M583.7T43.1 583.700012207031 583.700012207031 583.700012207031 43.1225111378167 43.1225111378167 43.1225111378167 1 0 1 2912 Inf 1.75404284979764 0.329866242240322
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7668 M584T2654 M583.8T44.2 583.799987792969 583.799987792969 583.799987792969 44.225870956202 44.225870956202 44.225870956202 1 1 0 220 Inf -1.5426454517741 0.366142261035608
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7669 M584T3458 M583.9T57.6 583.900024414062 583.900024414062 583.900024414062 57.6288110220746 57.6288110220746 57.6288110220746 1 0 1 1300 Inf 1 0.5
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lecorguille
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7670 M584T2731 M583.9T45.5 583.900024414062 583.900024414062 583.900024414062 45.5249249622249 45.5249249622249 45.5249249622249 1 0 1 2464 3.75459419352192 0.732985987457257 0.596959067649306
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7671 M584T2763 M583.9T46.1 583.900024414062 583.900024414062 583.900024414062 46.0528375938208 46.0528375938208 46.0528375938208 1 1 0 3815 Inf -1.68330694434601 0.341258023556534
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7672 M584T2575 M583.9T42.9 583.900024414062 583.900024414062 583.900024414062 42.9138444711501 42.9138444711501 42.9138444711501 1 0 1 4083 4.62573893593241 0.7661205975632 0.574747618585127
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7673 M584T3342 M584T55.7 584 584 584 55.6975647523619 55.6685046526721 55.7218214079965 3 1 2 [168][M]- 9 1.47888537132104 0.433314595396696 0.739313969519979
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7674 M584T2536 M584T42.3 584 584 584 42.2617944711501 42.2617944711501 42.2617944711501 1 0 1 5787 5.84976797198396 2.06929015233419 0.223408765043104
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7675 M584T3667 M584T61.1 584 584 584 61.1232252152794 61.1232252152794 61.1232252152794 1 1 0 458 Inf -1 0.5
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7676 M584T3227 M584T53.8 584 584 584 53.7814895523913 53.7814895523913 53.7814895523913 1 1 0 5508 1.19685996748091 -0.126221496536505 0.911423154418179
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7677 M584T3016 M584T50.3 584 584 584 50.2635773029958 50.2635773029958 50.2635773029958 1 1 0 2094 Inf -1 0.5
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lecorguille
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7678 M584T3235 M584.1T53.9 584.100036621094 584.100036621094 584.100036621094 53.9196953479261 53.9196953479261 53.9196953479261 2 1 0 2703 4.18585859662942 -0.894920067304782 0.532264525873824
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7679 M584T3852 M584.1T64.2 584.100036621094 584.100036621094 584.100036621094 64.2010025966276 64.2010025966276 64.2010025966276 1 0 1 1428 Inf 2.06970441790387 0.286533462143019
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7680 M584T3356 M584.1T55.9 584.100036621094 584.100036621094 584.100036621094 55.9260812482431 55.9260812482431 55.9260812482431 1 0 1 701 1.00961624853568 0.022961654613275 0.98392952285428
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7681 M584T3515 M584.1T58.6 584.100036621094 584.100036621094 584.100036621094 58.5849576119471 58.5849576119471 58.5849576119471 1 0 1 351 2.40154791954143 1.40154754463355 0.394530313484529
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7682 M584T2554 M584.1T42.6 584.100036621094 584.100036621094 584.100036621094 42.5628680813334 42.5628680813334 42.5628680813334 1 0 1 65 11.4332007906349 1.15625101815344 0.450324504316652
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7683 M584T3845 M584.2T64.1 584.200012207031 584.200012207031 584.200012207031 64.0829532534703 64.0829532534703 64.0829532534703 1 0 1 [M-H-CH2]- 599.212 21 1.1979492604406 -0.136165817616356 0.904293486240014
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7684 M584T3365 M584.2T56.1 584.200012207031 584.200012207031 584.200012207031 56.080310724162 56.080310724162 56.080310724162 1 1 0 126 1.6647943794669 -2.07003702527571 0.228931277270003
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7685 M584T2545 M584.3T42.4 584.299987792969 584.299987792969 584.299987792969 42.4158329099392 42.4158329099392 42.4158329099392 1 1 0 153 1.24050534911773 -0.150940546303327 0.894420906222556
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7686 M584T2759 M584.3T46 584.299987792969 584.299987792969 584.299987792969 45.9834849324727 45.9834849324727 45.9834849324727 1 1 0 5495 3.09734532710601 -0.676416265687098 0.620995881529667
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7687 M584T3957 M584.3T66 584.299987792969 584.299987792969 584.299987792969 65.9569495268011 65.9569495268011 65.9569495268011 1 1 0 5402 1.95828505317092 -0.947967438744777 0.511632196653624
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7688 M584T3718 M584.3T62 584.299987792969 584.299987792969 584.299987792969 61.9748588051615 61.9748588051615 61.9748588051615 1 0 1 3457 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7689 M584T3504 M584.4T58.4 584.400024414062 584.400024414062 584.400024414062 58.3941287848805 58.1979191760685 58.4631453812742 3 1 2 [M-H]- 585.41 76 1.34784466958659 0.91966145490865 0.495518243626048
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7690 M584T4136 M584.4T68.9 584.400024414062 584.400024414062 584.400024414062 68.9368222184917 68.9368222184917 68.9368222184917 1 0 1 3998 2.19273710268385 0.543946234515585 0.682845048393939
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7691 M584T3579 M584.4T59.6 584.400024414062 584.400024414062 584.400024414062 59.6499590027822 59.6499590027822 59.6499590027822 1 1 0 1683 Inf -1.66283459416233 0.344688601978967
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7692 M584T3819 M584.4T63.6 584.400024414062 584.400024414062 584.400024414062 63.6418900215286 63.6418900215286 63.6418900215286 1 1 0 2401 7.25527298858215 -0.854094622385513 0.545736112065561
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7693 M584T3279 M584.4T54.6 584.400024414062 584.400024414062 584.400024414062 54.6443499441026 54.6443499441026 54.6443499441026 1 0 1 1223 2.75056597744625 0.767367559184179 0.548007453017081
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7694 M584T2539 M584.4T42.3 584.400024414062 584.400024414062 584.400024414062 42.3115162432725 42.3115162432725 42.3115162432725 1 1 0 5558 2.29475984867734 -0.855608875281891 0.483600503543903
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7695 M584T2996 M584.4T49.9 584.400024414062 584.400024414062 584.400024414062 49.9305080673032 49.9305080673032 49.9305080673032 1 1 0 1848 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7696 M584T3700 M584.5T61.7 584.5 584.5 584.5 61.6611846771998 61.6611846771998 61.6611846771998 1 0 1 4196 73.7865529062982 0.998560970368194 0.500457900081833
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7697 M584T3756 M584.5T62.6 584.5 584.5 584.5 62.5957546278818 62.5957546278818 62.5957546278818 1 1 0 1014 6.99778319450296 -0.848477960434723 0.54752756420075
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7698 M585T2842 M584.6T47.4 584.600036621094 584.600036621094 584.600036621094 47.3655261750533 47.3655261750533 47.3655261750533 1 0 1 6053 1.50527533138348 -0.279595208475882 0.809473052162031
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7699 M585T3787 M584.6T63.1 584.600036621094 584.600036621094 584.600036621094 63.1152759049516 63.1152759049516 63.1152759049516 1 1 0 4463 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7700 M585T3331 M584.7T55.5 584.700012207031 584.700012207031 584.700012207031 55.5136455924675 55.5136455924675 55.5136455924675 1 0 1 1127 Inf 9.21945151712282 0.0687829042079753
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7701 M585T3488 M584.8T58.1 584.799987792969 584.799987792969 584.799987792969 58.1390165906051 58.1390165906051 58.1390165906051 1 0 1 1814 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7702 M585T2847 M584.8T47.4 584.799987792969 584.799987792969 584.799987792969 47.4440493646547 47.4440493646547 47.4440493646547 1 0 1 5534 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7703 M585T3707 M584.8T61.8 584.799987792969 584.799987792969 584.799987792969 61.7762824071347 61.7762824071347 61.7762824071347 1 0 1 17 2.00438610160253 0.472255863235546 0.706030755269311
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7704 M585T3713 M584.9T61.9 584.900024414062 584.900024414062 584.900024414062 61.8807356532575 61.8807356532575 61.8807356532575 1 0 1 17 5.37039776505723 0.800042441192886 0.563287708346173
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7705 M585T2681 M584.9T44.7 584.900024414062 584.900024414062 584.900024414062 44.6873773440001 44.6873773440001 44.6873773440001 1 0 1 [M+Cl]- 549.926 6 3.34118063755816 0.671283321896573 0.609340548809707
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7706 M585T2894 M584.9T48.2 584.900024414062 584.900024414062 584.900024414062 48.2299333733085 48.2299333733085 48.2299333733085 1 0 1 3849 Inf 1 0.5
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lecorguille
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7707 M585T2531 M584.9T42.2 584.900024414062 584.900024414062 584.900024414062 42.1835444711501 42.1835444711501 42.1835444711501 1 0 1 5607 Inf 1 0.5
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lecorguille
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7708 M585T3406 M584.9T56.8 584.900024414062 584.900024414062 584.900024414062 56.774934472761 56.774934472761 56.774934472761 1 1 0 1337 Inf -1 0.5
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lecorguille
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7709 M585T3702 M585T61.7 585 585 585 61.7072218675149 61.6160695906516 61.7983741443782 2 2 0 4201 14.2972172050419 -1.13975959824543 0.457767046113168
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7710 M585T3505 M585T58.4 585 585 585 58.4196996073545 58.4196996073545 58.4196996073545 1 0 1 [M+Cl]- 550.029 [M-H]- 586.011 76 4.08976370186253 1.08327843417173 0.442049927925461
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7711 M585T3485 M585T58.1 585 585 585 58.0910688515679 58.0910688515679 58.0910688515679 1 1 0 1815 12.7972621738698 -2.62042532068 0.212801175353686
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lecorguille
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7712 M585T3347 M585T55.8 585 585 585 55.7774686755621 55.7774686755621 55.7774686755621 1 0 1 [168][M+1]- 813 3.58121559652473 0.694208711175187 0.600582412327176
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lecorguille
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7713 M585T3853 M585.1T64.2 585.100036621094 585.100036621094 585.100036621094 64.2143394697321 64.2143394697321 64.2143394697321 1 0 1 1429 13.1065422708005 1.19767875490872 0.439926587096516
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7714 M585T4110 M585.1T68.5 585.100036621094 585.100036621094 585.100036621094 68.4939886959916 68.4939886959916 68.4939886959916 1 1 0 2318 1.53521011434597 -0.292117143040046 0.801604621924406
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7715 M585T3955 M585.1T65.9 585.100036621094 585.100036621094 585.100036621094 65.9226612758071 65.9226612758071 65.9226612758071 1 0 1 5465 1.11440156699612 0.0764055208640761 0.946123420367929
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7716 M585T3711 M585.1T61.8 585.100036621094 585.100036621094 585.100036621094 61.8458219908521 61.8458219908521 61.8458219908521 1 1 0 1207 Inf -7.46475833410932 0.0847786311133769
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7717 M585T3597 M585.1T59.9 585.100036621094 585.100036621094 585.100036621094 59.9429220702058 59.9429220702058 59.9429220702058 1 0 1 1462 4.93845784781314 1.8831571537592 0.236252859918577
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7718 M585T3700 M585.2T61.7 585.200012207031 585.200012207031 585.200012207031 61.6611846771998 61.6611846771998 61.6611846771998 1 0 1 4197 Inf 1 0.5
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7719 M585T3940 M585.2T65.7 585.200012207031 585.200012207031 585.200012207031 65.6598199896202 65.6598199896202 65.6598199896202 1 0 1 4127 1.33810095478369 1.00902948918797 0.494847357884372
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7720 M585T4198 M585.2T70 585.200012207031 585.200012207031 585.200012207031 69.9591619305903 69.9591619305903 69.9591619305903 1 1 0 6087 3.28522362936068 -0.694945074820567 0.61300708050465
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7721 M585T3839 M585.2T64 585.200012207031 585.200012207031 585.200012207031 63.977849295129 63.977849295129 63.977849295129 1 0 1 69 1.04412913415975 0.0446634484429673 0.971365365521762
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7722 M585T3925 M585.3T65.4 585.299987792969 585.299987792969 585.299987792969 65.4232776298017 65.4232776298017 65.4232776298017 1 0 1 2963 1.00713859357348 -0.00822167782088816 0.994188755093566
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7723 M585T4180 M585.3T69.7 585.299987792969 585.299987792969 585.299987792969 69.6597049874586 69.6597049874586 69.6597049874586 1 0 1 4422 1.45300537783171 0.722222471102535 0.574007158748443
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7724 M585T3385 M585.3T56.4 585.299987792969 585.299987792969 585.299987792969 56.4183799730882 56.4183799730882 56.4183799730882 1 1 0 1596 9.73609260814006 -1.36647628736007 0.394178258967358
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7725 M585T3692 M585.4T61.5 585.400024414062 585.400024414062 585.400024414062 61.531061010891 61.531061010891 61.531061010891 1 0 1 622 Inf 1.18659987108116 0.445803505348348
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7726 M585T2541 M585.4T42.3 585.400024414062 585.400024414062 585.400024414062 42.3424714460137 42.3424714460137 42.3424714460137 1 1 0 184 6.58578308040478 -1.30275514612329 0.399718670471064
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7727 M585T3524 M585.4T58.7 585.400024414062 585.400024414062 585.400024414062 58.7254962366818 58.7254962366818 58.7254962366818 1 1 0 435 1.1863006397195 -0.120073842198983 0.915676567807431
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7728 M585T3278 M585.4T54.6 585.400024414062 585.400024414062 585.400024414062 54.6353168269519 54.6353168269519 54.6353168269519 1 0 1 1252 5.18378359826472 0.792479736384203 0.565808562035451
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7729 M585T2674 M585.4T44.6 585.400024414062 585.400024414062 585.400024414062 44.5730945661027 44.5730945661027 44.5730945661027 1 0 1 682 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7730 M585T3218 M585.4T53.6 585.400024414062 585.400024414062 585.400024414062 53.6289782169185 53.6289782169185 53.6289782169185 1 1 0 4337 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7731 M585T2939 M585.4T49 585.400024414062 585.400024414062 585.400024414062 48.9849543250987 48.9849543250987 48.9849543250987 1 0 1 2825 2.40889639566933 -1.3819336661028 0.386366132214117
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7732 M585T3792 M585.4T63.2 585.400024414062 585.400024414062 585.400024414062 63.1967760947888 63.1967760947888 63.1967760947888 1 1 0 5768 1.99582759799024 0.488031818479893 0.705473290318148
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7733 M585T4220 M585.4T70.3 585.400024414062 585.400024414062 585.400024414062 70.3297904661244 70.3297904661244 70.3297904661244 1 0 1 164 6.30564360766341 1.4297651636874 0.3647362018634
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7734 M586T2728 M585.5T45.5 585.5 585.5 585.5 45.4652243811903 45.4652243811903 45.4652243811903 1 1 0 2536 3.90804614530747 -0.720891360954008 0.590723130525902
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7735 M586T3912 M585.5T65.2 585.5 585.5 585.5 65.1925041642146 65.1925041642146 65.1925041642146 1 1 0 4854 2.20314274798124 -0.543965937144415 0.681704294834037
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7736 M586T3439 M585.5T57.3 585.5 585.5 585.5 57.3125622161082 57.3125622161082 57.3125622161082 1 0 1 2938 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7737 M586T4023 M585.5T67.1 585.5 585.5 585.5 67.0527000884346 67.0527000884346 67.0527000884346 1 0 1 5585 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7738 M586T2990 M585.6T49.8 585.600036621094 585.600036621094 585.600036621094 49.8348004840383 49.8348004840383 49.8348004840383 1 0 1 4622 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7739 M586T3329 M585.8T55.5 585.799987792969 585.799987792969 585.799987792969 55.4878608086466 55.4878608086466 55.4878608086466 1 0 1 1128 2.31028895026888 0.520487517338159 0.674653512736197
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7740 M586T4029 M585.9T67.2 585.900024414062 585.900024414062 585.900024414062 67.1522076340729 67.1522076340729 67.1522076340729 1 0 1 3787 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7741 M586T2985 M585.9T49.7 585.900024414062 585.900024414062 585.900024414062 49.7419670958824 49.7419670958824 49.7419670958824 1 1 0 4623 3.53585484706753 -0.791538642268288 0.5737446201851
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7742 M586T3339 M585.9T55.6 585.900024414062 585.900024414062 585.900024414062 55.6426907807288 55.6426907807288 55.6426907807288 1 0 1 1129 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7743 M586T2762 M585.9T46 585.900024414062 585.900024414062 585.900024414062 46.0265819700675 46.0265819700675 46.0265819700675 1 1 0 94 2.63486772721752 -1.61903991128372 0.345348676866642
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7744 M586T3531 M586T58.9 586 586 586 58.8569000794157 58.8569000794157 58.8569000794157 2 1 0 1978 11.4884753650301 -1.21302920534238 0.434826019169276
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7745 M586T3349 M586T55.8 586 586 586 55.813394378734 55.7695040562218 55.8572847012461 2 1 1 694 1.6404572033801 0.737279357709943 0.53909907399242
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7746 M586T3061 M586T51 586 586 586 51.010431131708 51.010431131708 51.010431131708 1 1 0 170 3.10493883734787 -0.726399064497083 0.578140806672704
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7747 M586T3152 M586T52.5 586 586 586 52.531098603379 52.531098603379 52.531098603379 1 0 1 3049 2.30236213552705 0.794037398485638 0.515117020077546
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7748 M586T3558 M586T59.3 586 586 586 59.2993398729394 59.2993398729394 59.2993398729394 1 0 1 1684 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7749 M586T4144 M586.1T69.1 586.100036621094 586.100036621094 586.100036621094 69.0684895681805 69.0684895681805 69.0684895681805 1 1 0 5837 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7750 M586T3730 M586.1T62.2 586.100036621094 586.100036621094 586.100036621094 62.1673415312741 62.1673415312741 62.1673415312741 1 0 1 3541 1.35935928571765 0.212946119979341 0.852633509881449
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7751 M586T4127 M586.2T68.8 586.200012207031 586.200012207031 586.200012207031 68.7798457445238 68.7798457445238 68.7798457445238 1 1 0 1465 3.57578156866405 -1.7351968498911 0.225906604817407
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7752 M586T3221 M586.3T53.7 586.299987792969 586.299987792969 586.299987792969 53.6797065942106 53.6797065942106 53.6797065942106 1 1 0 4338 1.55105236532894 -0.368909088745586 0.74792391974502
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7753 M586T4209 M586.3T70.2 586.299987792969 586.299987792969 586.299987792969 70.1540865774829 70.1540865774829 70.1540865774829 1 0 1 4947 Inf 1.74286267554992 0.331620593743873
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7754 M586T2829 M586.4T47.1 586.400024414062 586.400024414062 586.400024414062 47.1495479969475 47.1495479969475 47.1495479969475 1 1 0 4592 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7755 M586T2752 M586.4T45.9 586.400024414062 586.400024414062 586.400024414062 45.8595062860174 45.8595062860174 45.8595062860174 1 0 1 114 3.65067615549125 0.700281134766686 0.598307975286847
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7756 M586T3790 M586.4T63.2 586.400024414062 586.400024414062 586.400024414062 63.1609050395012 63.1609050395012 63.1609050395012 1 0 1 4464 10.8170877328515 0.986265675661288 0.50177126986123
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7757 M586T3808 M586.4T63.5 586.400024414062 586.400024414062 586.400024414062 63.4586412146712 63.4586412146712 63.4586412146712 1 1 0 3721 14.6369333428867 -0.929512875459445 0.522092787957519
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7758 M586T4142 M586.4T69 586.400024414062 586.400024414062 586.400024414062 69.0401974996345 69.0401974996345 69.0401974996345 1 0 1 4250 1.32755733764234 -0.327501365828038 0.798485755398775
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7759 M586T3726 M586.4T62.1 586.400024414062 586.400024414062 586.400024414062 62.1029782006783 62.1029782006783 62.1029782006783 1 1 0 4687 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7760 M586T4054 M586.5T67.6 586.5 586.5 586.5 67.5621382931255 67.5198667782087 67.6044098080423 2 1 1 3411 1.18187619655394 -0.117478157308051 0.917475200089521
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7761 M586T4082 M586.5T68 586.5 586.5 586.5 68.0351104103134 67.9667792128715 68.1034416077553 2 1 1 5712 1.65091058506118 0.373114262310028 0.763129290841065
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7762 M586T3665 M586.5T61.1 586.5 586.5 586.5 61.087810612743 61.087810612743 61.087810612743 1 0 1 2 4.45173543128971 2.55009604503352 0.12651079926752
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7763 M586T2894 M586.5T48.2 586.5 586.5 586.5 48.2299333733085 48.2299333733085 48.2299333733085 1 0 1 3850 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7764 M586T3825 M586.5T63.7 586.5 586.5 586.5 63.7465257390256 63.7465257390256 63.7465257390256 1 1 0 1897 8.36706038477322 -0.87426181126257 0.53935063131174
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7765 M586T3763 M586.5T62.7 586.5 586.5 586.5 62.7158215312295 62.7158215312295 62.7158215312295 1 1 0 1015 Inf -1.26324712628384 0.426283508127523
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7766 M586T3636 M586.5T60.6 586.5 586.5 586.5 60.5959660942512 60.5959660942512 60.5959660942512 1 1 0 2858 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7767 M587T2878 M586.6T48 586.600036621094 586.600036621094 586.600036621094 47.95871844841 47.95871844841 47.95871844841 1 1 0 4751 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7768 M587T3918 M586.6T65.3 586.600036621094 586.600036621094 586.600036621094 65.3000661202654 65.3000661202654 65.3000661202654 1 0 1 3026 Inf 1.88265093085835 0.310841298340794
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7769 M587T3121 M586.8T52 586.799987792969 586.799987792969 586.799987792969 52.0172124727161 52.0172124727161 52.0172124727161 1 0 1 5084 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7770 M587T3764 M586.8T62.7 586.799987792969 586.799987792969 586.799987792969 62.738270579201 62.738270579201 62.738270579201 1 0 1 1016 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7771 M587T2837 M586.9T47.3 586.900024414062 586.900024414062 586.900024414062 47.2825728692538 47.2825728692538 47.2825728692538 1 1 0 125 1.72858092333824 -0.364838495470083 0.757627029777355
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7772 M587T2775 M586.9T46.2 586.900024414062 586.900024414062 586.900024414062 46.2435838175157 46.2435838175157 46.2435838175157 1 0 1 5128 7.29024975566587 3.15659056817528 0.114997832701662
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7773 M587T2727 M587T45.4 587 587 587 45.4473527826571 45.4473527826571 45.4473527826571 1 0 1 2460 3.81769443952503 0.899021929666934 0.510523082509289
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7774 M587T4245 M587.1T70.8 587.100036621094 587.100036621094 587.100036621094 70.7564691816509 70.7564691816509 70.7564691816509 1 0 1 6232 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7775 M587T3576 M587.1T59.6 587.100036621094 587.100036621094 587.100036621094 59.6031109590044 59.6031109590044 59.6031109590044 1 0 1 1685 Inf 2.49606462491183 0.242583916529773
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7776 M587T3188 M587.1T53.1 587.100036621094 587.100036621094 587.100036621094 53.129445212661 53.129445212661 53.129445212661 1 0 1 2172 1.34864654622791 -0.368354264528026 0.761110361050121
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7777 M587T3979 M587.2T66.3 587.200012207031 587.200012207031 587.200012207031 66.3168913366957 66.3168913366957 66.3168913366957 1 0 1 1996 Inf 2.99308186250153 0.205274102912059
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7778 M587T4279 M587.2T71.3 587.200012207031 587.200012207031 587.200012207031 71.3120066931594 71.3120066931594 71.3120066931594 1 1 0 266 1.65207879801049 -0.394258825344492 0.760688672273416
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7779 M587T3921 M587.3T65.3 587.299987792969 587.299987792969 587.299987792969 65.344424821933 65.344424821933 65.344424821933 1 0 1 2952 1.09530029334527 0.073231824749922 0.948414658673958
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7780 M587T4304 M587.3T71.7 587.299987792969 587.299987792969 587.299987792969 71.7293233598261 71.7293233598261 71.7293233598261 1 1 0 6226 1.02573246214575 -0.0303802531670601 0.978931461284818
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7781 M587T4253 M587.3T70.9 587.299987792969 587.299987792969 587.299987792969 70.8757457405337 70.8757457405337 70.8757457405337 1 0 1 6184 8.40389768380539 0.874835879621059 0.539169813417815
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7782 M587T3026 M587.3T50.4 587.299987792969 587.299987792969 587.299987792969 50.4291689255603 50.4291689255603 50.4291689255603 1 0 1 2162 1.10914011359024 0.0730824831208877 0.948454416911299
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7783 M587T2591 M587.3T43.2 587.299987792969 587.299987792969 587.299987792969 43.1771047793471 43.1771047793471 43.1771047793471 1 1 0 2913 Inf -1.53170444619556 0.368213474498876
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7784 M587T4287 M587.4T71.5 587.400024414062 587.400024414062 587.400024414062 71.4551324610923 71.4346191816509 71.4756457405337 2 0 2 6096 28.1062735986049 3.22792370870107 0.185641451479288
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7785 M587T4252 M587.4T70.9 587.400024414062 587.400024414062 587.400024414062 70.8686066931594 70.8686066931594 70.8686066931594 1 1 0 6185 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7786 M587T3911 M587.4T65.2 587.400024414062 587.400024414062 587.400024414062 65.1867203871485 65.1867203871485 65.1867203871485 1 0 1 4855 2.10606190248402 0.481485437805377 0.693025560415757
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7787 M587T2679 M587.4T44.7 587.400024414062 587.400024414062 587.400024414062 44.6537981733315 44.6537981733315 44.6537981733315 1 0 1 683 Inf 1 0.5
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7788 M587T2614 M587.4T43.6 587.400024414062 587.400024414062 587.400024414062 43.5659111378167 43.5659111378167 43.5659111378167 1 0 1 5806 2.24460431654673 -0.506495755700029 0.681453829734532
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7789 M587T3371 M587.4T56.2 587.400024414062 587.400024414062 587.400024414062 56.1831629572225 56.1831629572225 56.1831629572225 1 1 0 1597 1.40291718907942 -0.278319146144586 0.823015643123926
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7790 M588T3749 M587.5T62.5 587.5 587.5 587.5 62.4855044049816 62.387697805142 62.5833110048213 2 2 0 1029 4.43482006176103 -1.99246270109844 0.197974346906729
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7791 M588T3261 M587.5T54.3 587.5 587.5 587.5 54.3457617907021 54.3457617907021 54.3457617907021 1 1 0 3611 Inf -1 0.5
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7792 M588T4242 M587.5T70.7 587.5 587.5 587.5 70.7043025149842 70.7043025149842 70.7043025149842 1 0 1 6104 Inf 2.20765491164458 0.270767433740204
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7793 M588T3706 M587.5T61.8 587.5 587.5 587.5 61.772415785973 61.772415785973 61.772415785973 1 1 0 17 22.4546668410039 -0.954519750716562 0.514307574401041
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7794 M588T3897 M587.6T64.9 587.600036621094 587.600036621094 587.600036621094 64.9439900710676 64.9439900710676 64.9439900710676 1 1 0 5758 4.5245592997534 -0.999251062046241 0.479793936377251
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7795 M588T4296 M587.6T71.6 587.600036621094 587.600036621094 587.600036621094 71.5989066931594 71.5989066931594 71.5989066931594 1 1 0 6143 7.00943396226374 -0.848741306989625 0.547443427510987
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7796 M588T3849 M587.6T64.1 587.600036621094 587.600036621094 587.600036621094 64.1485161063958 64.1485161063958 64.1485161063958 1 0 1 1430 Inf 1 0.5
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7797 M588T2590 M587.7T43.2 587.700012207031 587.700012207031 587.700012207031 43.1746778044834 43.1746778044834 43.1746778044834 1 0 1 2914 Inf 1 0.5
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7798 M588T3711 M588T61.9 588 588 588 61.8501716451439 61.8501716451439 61.8501716451439 1 1 0 1159 2.61567782319513 -0.576962651131893 0.648522842728495
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7799 M588T3152 M588.1T52.5 588.100036621094 588.100036621094 588.100036621094 52.531098603379 52.531098603379 52.531098603379 1 0 1 3050 1.5341035766742 0.419751153924201 0.741364131948708
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7800 M588T3579 M588.1T59.7 588.100036621094 588.100036621094 588.100036621094 59.6549207175915 59.6549207175915 59.6549207175915 1 0 1 1686 1.14236203670538 0.115575057470321 0.919481616528323
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7801 M588T3993 M588.1T66.5 588.100036621094 588.100036621094 588.100036621094 66.5423475209995 66.5423475209995 66.5423475209995 1 1 0 118 Inf -1 0.5
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7802 M588T3946 M588.1T65.8 588.100036621094 588.100036621094 588.100036621094 65.7743683818552 65.7743683818552 65.7743683818552 1 1 0 3743 9.27025124117195 -0.886982363272374 0.535354172782384
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7803 M588T3377 M588.1T56.3 588.100036621094 588.100036621094 588.100036621094 56.2853419111995 56.2853419111995 56.2853419111995 1 0 1 25 1.35285221709454 -0.316930577867949 0.803891588280424
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7804 M588T2792 M588.2T46.5 588.200012207031 588.200012207031 588.200012207031 46.526391340565 46.526391340565 46.526391340565 2 0 1 [169][M]- 12 3.04997874518266 0.979329294815328 0.505800457082751
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7805 M588T3245 M588.2T54.1 588.200012207031 588.200012207031 588.200012207031 54.0903748869231 54.0903748869231 54.0903748869231 1 1 0 80 1.21981072363218 0.268113242184545 0.823813416200269
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7806 M588T4274 M588.2T71.2 588.200012207031 588.200012207031 588.200012207031 71.2409124072004 71.2409124072004 71.2409124072004 1 0 1 6223 Inf 1 0.5
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7807 M588T3219 M588.3T53.7 588.299987792969 588.299987792969 588.299987792969 53.6543365410609 53.6035639807298 53.705109101392 2 2 0 [M+HCOO]- 543.306 113 3.3801562672335 -1.63765277293961 0.347472274274341
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7808 M588T2881 M588.3T48 588.299987792969 588.299987792969 588.299987792969 48.0207768096326 48.0207768096326 48.0207768096326 1 0 1 4752 1.6924515689223 0.444163525491219 0.701556313031479
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7809 M588T3995 M588.3T66.6 588.299987792969 588.299987792969 588.299987792969 66.580364949808 66.580364949808 66.580364949808 1 0 1 5435 1.58151785768795 -0.369240722697431 0.761909739527627
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7810 M588T3450 M588.4T57.5 588.400024414062 588.400024414062 588.400024414062 57.495366268726 57.495366268726 57.495366268726 1 1 0 3330 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7811 M588T3149 M588.4T52.5 588.400024414062 588.400024414062 588.400024414062 52.4873689953876 52.4873689953876 52.4873689953876 1 1 0 64 13.123246155178 -0.921128926108951 0.524700575809603
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7812 M588T3406 M588.4T56.8 588.400024414062 588.400024414062 588.400024414062 56.774934472761 56.774934472761 56.774934472761 1 1 0 1338 Inf -1 0.5
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7813 M588T3900 M588.5T65 588.5 588.5 588.5 65.0076224553358 65.0076224553358 65.0076224553358 1 1 0 4856 Inf -1 0.5
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7814 M588T4288 M588.5T71.5 588.5 588.5 588.5 71.4607025149842 71.4607025149842 71.4607025149842 1 0 1 6097 1.83891560516736 0.400775702103598 0.737064370431964
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7815 M588T4152 M588.5T69.2 588.5 588.5 588.5 69.1990120179949 69.1990120179949 69.1990120179949 1 1 0 6051 10.1028224795676 -0.896636077399078 0.532333536393623
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7816 M588T2863 M588.5T47.7 588.5 588.5 588.5 47.7125644540217 47.7125644540217 47.7125644540217 1 0 1 3638 4.15801223296611 1.44203478822316 0.385230077317915
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7817 M588T3201 M588.5T53.3 588.5 588.5 588.5 53.3417638203562 53.3417638203562 53.3417638203562 1 1 0 1764 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7818 M589T2744 M588.6T45.7 588.600036621094 588.600036621094 588.600036621094 45.7378834453013 45.7378834453013 45.7378834453013 1 1 0 4594 3.94867190078192 -1.25654008664085 0.376719165287263
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7819 M589T3027_1 M588.6T50.4_1 588.600036621094 588.600036621094 588.600036621094 50.4461114445613 50.4461114445613 50.4461114445613 1 1 0 2163 4.32838383800841 -0.749231220727093 0.58061244009588
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7820 M589T2708 M588.8T45.1 588.799987792969 588.799987792969 588.799987792969 45.1305848426544 45.1305848426544 45.1305848426544 1 1 0 5881 Inf -1 0.5
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7821 M589T2669 M588.8T44.5 588.799987792969 588.799987792969 588.799987792969 44.490514346359 44.490514346359 44.490514346359 1 1 0 4034 1.54512888672113 -0.296185956241645 0.799065632437965
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7822 M589T3041 M588.8T50.7 588.799987792969 588.799987792969 588.799987792969 50.6894450207818 50.6894450207818 50.6894450207818 1 0 1 71 Inf 2.69507407599287 0.226191519191602
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7823 M589T2541 M588.9T42.3 588.900024414062 588.900024414062 588.900024414062 42.3424714460137 42.3424714460137 42.3424714460137 1 1 0 184 7.94999999999962 -0.867378863266722 0.541522404771284
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7824 M589T2716 M588.9T45.3 588.900024414062 588.900024414062 588.900024414062 45.2656928897738 45.2656928897738 45.2656928897738 1 0 1 2537 Inf 1 0.5
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7825 M589T2999 M588.9T50 588.900024414062 588.900024414062 588.900024414062 49.9767181316292 49.9767181316292 49.9767181316292 1 1 0 1849 4.87427120902948 -1.23690811688845 0.402727998939264
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7826 M589T3297 M589T55 589 589 589 54.955977142643 54.955977142643 54.955977142643 1 1 0 2611 1.13425900871589 -0.104878257350014 0.928681730896093
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7827 M589T3268 M589T54.5 589 589 589 54.4607175420238 54.4607175420238 54.4607175420238 1 0 1 5479 Inf 1.82879747514093 0.318557389744559
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7828 M589T3399 M589T56.7 589 589 589 56.6538784348037 56.6538784348037 56.6538784348037 1 0 1 1302 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7829 M589T4171 M589.1T69.5 589.100036621094 589.100036621094 589.100036621094 69.5142005486923 69.5142005486923 69.5142005486923 1 1 0 5938 6.49527878638254 -0.836189929646229 0.551470025046053
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7830 M589T4211 M589.1T70.2 589.100036621094 589.100036621094 589.100036621094 70.1803985718347 70.1803985718347 70.1803985718347 1 0 1 4948 6.87498073127763 0.84564614103992 0.548433211803183
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7831 M589T3027_2 M589.2T50.5_2 589.200012207031 589.200012207031 589.200012207031 50.4549871038481 50.4549871038481 50.4549871038481 2 0 1 2164 2.77699206998001 0.921702816023379 0.471230922768334
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7832 M589T4078 M589.2T68 589.200012207031 589.200012207031 589.200012207031 67.9667792128715 67.9667792128715 67.9667792128715 1 1 0 3913 1.58267369315486 -0.311236354612416 0.789751637333874
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7833 M589T3066 M589.2T51.1 589.200012207031 589.200012207031 589.200012207031 51.0993715003568 51.0993715003568 51.0993715003568 1 1 0 2443 Inf -5.57601301669591 0.112970215688493
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7834 M589T3098 M589.2T51.6 589.200012207031 589.200012207031 589.200012207031 51.6361113404829 51.6361113404829 51.6361113404829 1 0 1 5376 5.84750320173486 1.16529183835404 0.434713735168531
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7835 M589T2991 M589.2T49.8 589.200012207031 589.200012207031 589.200012207031 49.8462921221805 49.8462921221805 49.8462921221805 1 1 0 1850 Inf -1.2668761379939 0.425395060590989
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7836 M589T2790 M589.2T46.5 589.200012207031 589.200012207031 589.200012207031 46.5002415243792 46.5002415243792 46.5002415243792 1 0 1 [169][M+1]- 898 4.66019633732958 0.779864940986735 0.575383308108643
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7837 M589T2532 M589.3T42.2 589.299987792969 589.299987792969 589.299987792969 42.1977014146668 42.1977014146668 42.1977014146668 1 0 1 5608 Inf 5.64975609756089 0.111525854896921
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7838 M589T3448 M589.3T57.5 589.299987792969 589.299987792969 589.299987792969 57.4690606377124 57.4690606377124 57.4690606377124 1 1 0 62 3.30741698464928 -1.65583677350095 0.325832114449433
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7839 M589T4396 M589.3T73.3 589.299987792969 589.299987792969 589.299987792969 73.2735037127173 73.2735037127173 73.2735037127173 1 1 0 6114 1.42165651296154 -0.260772412163151 0.824851541894473
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7840 M589T3691 M589.3T61.5 589.299987792969 589.299987792969 589.299987792969 61.5116474731666 61.5116474731666 61.5116474731666 1 1 0 5 2.38324603661408 -0.823597916175794 0.511690406881563
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7841 M589T4413 M589.4T73.6 589.400024414062 589.400024414062 589.400024414062 73.5577552029383 73.5290233598261 73.5864870460506 2 2 0 6124 1.07546004497358 0.139667027768987 0.910007751136367
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7842 M589T3681 M589.4T61.4 589.400024414062 589.400024414062 589.400024414062 61.3553114285312 61.3553114285312 61.3553114285312 1 1 0 623 2.2304573125699 -0.581899878807976 0.660305592426778
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7843 M589T4010 M589.4T66.8 589.400024414062 589.400024414062 589.400024414062 66.833385720542 66.833385720542 66.833385720542 1 1 0 156 1.51809673478339 0.322745615971391 0.782905057278955
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7844 M589T3535 M589.4T58.9 589.400024414062 589.400024414062 589.400024414062 58.9095542399947 58.9095542399947 58.9095542399947 1 1 0 1979 14.9700881746556 -1.60773262293475 0.349502968808107
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7845 M590T4058 M589.5T67.6 589.5 589.5 589.5 67.6306782148255 67.6306782148255 67.6306782148255 1 0 1 129 1.26292989653619 0.16321947073674 0.886041082081527
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7846 M590T4176 M589.5T69.6 589.5 589.5 589.5 69.6081394901155 69.6081394901155 69.6081394901155 1 0 1 4423 4.61670106948567 0.92886332933068 0.50758936220446
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7847 M590T2543 M589.5T42.4 589.5 589.5 589.5 42.3897495766058 42.3897495766058 42.3897495766058 1 1 0 5171 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7848 M590T4405 M589.5T73.4 589.5 589.5 589.5 73.4246900264927 73.4246900264927 73.4246900264927 1 1 0 6174 1.67004274140069 0.673483639288686 0.61744165613389
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lecorguille
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7849 M590T4226 M589.6T70.4 589.600036621094 589.600036621094 589.600036621094 70.4251683483748 70.4251683483748 70.4251683483748 1 1 0 5433 2.26290652113391 -0.510468596359095 0.679509617964049
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7850 M590T4426 M589.6T73.8 589.600036621094 589.600036621094 589.600036621094 73.7637566931594 73.7637566931594 73.7637566931594 1 1 0 6214 3.01222501141013 -0.633995766413047 0.624199200099557
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7851 M590T2536 M589.7T42.3 589.700012207031 589.700012207031 589.700012207031 42.2617861378167 42.2096278044834 42.3139444711501 2 0 1 210 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7852 M590T2575 M589.7T42.9 589.700012207031 589.700012207031 589.700012207031 42.9162881126804 42.9162881126804 42.9162881126804 1 1 0 4084 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7853 M590T2817 M589.8T46.9 589.799987792969 589.799987792969 589.799987792969 46.9460942488542 46.9460942488542 46.9460942488542 1 0 1 3329 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7854 M590T2583 M589.8T43 589.799987792969 589.799987792969 589.799987792969 43.0442611378167 43.0442611378167 43.0442611378167 1 0 1 5693 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7855 M590T2681 M589.9T44.7 589.900024414062 589.900024414062 589.900024414062 44.6872010390512 44.6872010390512 44.6872010390512 1 1 0 684 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7856 M590T2565 M589.9T42.7 589.900024414062 589.900024414062 589.900024414062 42.7454347480001 42.7454347480001 42.7454347480001 1 0 1 3096 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7857 M590T3340 M590T55.7 590 590 590 55.6695374880051 55.6695374880051 55.6695374880051 1 1 0 5515 4.05290138061247 -0.748559243014014 0.588410454835129
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7858 M590T3294 M590T54.9 590 590 590 54.9032275137848 54.9032275137848 54.9032275137848 1 1 0 5984 2.52910028484298 -0.562247189916902 0.655130575604391
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7859 M590T3366 M590T56.1 590 590 590 56.1058276918263 56.1058276918263 56.1058276918263 1 0 1 4668 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7860 M590T3207 M590.1T53.4 590.100036621094 590.100036621094 590.100036621094 53.4479323755887 53.3933207331752 53.5025440180022 2 1 1 4282 1.07179885273856 -0.0782445766059667 0.948970906616548
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7861 M590T3700 M590.1T61.7 590.100036621094 590.100036621094 590.100036621094 61.6669788967231 61.6669788967231 61.6669788967231 1 1 0 109 13.005532685397 -2.86448963781602 0.191718783577695
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7862 M590T2869 M590.1T47.8 590.100036621094 590.100036621094 590.100036621094 47.820059232053 47.820059232053 47.820059232053 1 0 1 3660 1.52881218503575 0.289471623201561 0.803260166203875
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7863 M590T3827 M590.1T63.8 590.100036621094 590.100036621094 590.100036621094 63.7809794087204 63.7809794087204 63.7809794087204 1 0 1 1898 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7864 M590T3811 M590.1T63.5 590.100036621094 590.100036621094 590.100036621094 63.5166230732481 63.5166230732481 63.5166230732481 1 1 0 46 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7865 M590T4383 M590.1T73.1 590.100036621094 590.100036621094 590.100036621094 73.0517358483176 73.0517358483176 73.0517358483176 1 0 1 6203 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7866 M590T2518 M590.1T42 590.100036621094 590.100036621094 590.100036621094 41.9748778044834 41.9748778044834 41.9748778044834 1 0 1 5066 4.0486496639713 1.72966224586944 0.333507199746097
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7867 M590T3212 M590.2T53.5 590.200012207031 590.200012207031 590.200012207031 53.5253737895583 53.5253737895583 53.5253737895583 1 0 1 4282 1.11109601242765 0.123724053451506 0.912904243252971
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7868 M590T3199 M590.2T53.3 590.200012207031 590.200012207031 590.200012207031 53.3116087927214 53.3116087927214 53.3116087927214 1 0 1 [M+HCOO]- 545.209 30 1.29442983116118 -0.26257119777318 0.835826140739499
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7869 M590T3918 M590.2T65.3 590.200012207031 590.200012207031 590.200012207031 65.2918564684974 65.2918564684974 65.2918564684974 1 0 1 3027 1.69256341697445 0.69456569841169 0.567159121803679
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7870 M590T4050 M590.2T67.5 590.200012207031 590.200012207031 590.200012207031 67.4993312675407 67.4993312675407 67.4993312675407 1 0 1 77 1.6171454483476 0.379837661681598 0.767984329901095
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7871 M590T2860 M590.2T47.7 590.200012207031 590.200012207031 590.200012207031 47.6598499993641 47.6598499993641 47.6598499993641 1 1 0 4251 3.34363658134065 -1.26999181637044 0.420756534795355
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7872 M590T4234 M590.2T70.6 590.200012207031 590.200012207031 590.200012207031 70.5739025149842 70.5739025149842 70.5739025149842 1 0 1 5792 2.53846153846205 0.563883874434691 0.654388731295465
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7873 M590T2996 M590.3T49.9 590.299987792969 590.299987792969 590.299987792969 49.9305080673032 49.9275793469874 50.0288900062087 3 2 1 [170][M]- 32 2.44756530121956 0.615559334439446 0.63934781296597
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7874 M590T3715 M590.3T61.9 590.299987792969 590.299987792969 590.299987792969 61.9224618921501 61.9224618921501 61.9224618921501 1 0 1 1208 1.19187584813725 -0.123327993388776 0.913423944563299
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7875 M590T4428 M590.3T73.8 590.299987792969 590.299987792969 590.299987792969 73.7969957405337 73.7969957405337 73.7969957405337 1 0 1 6189 1.26161369193161 0.162506483879413 0.886526375694309
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7876 M590T2905 M590.4T48.4 590.400024414062 590.400024414062 590.400024414062 48.4195025289281 48.4195025289281 48.4195025289281 1 1 0 97 4.33566888479115 -0.848105316908675 0.546569186857146
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7877 M590T2654 M590.4T44.2 590.400024414062 590.400024414062 590.400024414062 44.225870956202 44.225870956202 44.225870956202 1 1 0 5840 1.0431324106268 -0.0388600197871375 0.974231168594281
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7878 M590T4439 M590.4T74 590.400024414062 590.400024414062 590.400024414062 73.9795790738671 73.9795790738671 73.9795790738671 1 0 1 6222 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7879 M590T4407 M590.4T73.5 590.400024414062 590.400024414062 590.400024414062 73.4579290738671 73.4579290738671 73.4579290738671 1 0 1 303 2.02800616546917 0.853280267281131 0.48444853656625
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7880 M590T2908 M590.5T48.5 590.5 590.5 590.5 48.4642617623438 48.4642617623438 48.4642617623438 1 0 1 2789 28.0170749107674 1.24472693120996 0.430204867649522
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7881 M590T3931 M590.5T65.5 590.5 590.5 590.5 65.5098239476139 65.5098239476139 65.5098239476139 1 1 0 3028 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7882 M591T4173 M590.6T69.5 590.600036621094 590.600036621094 590.600036621094 69.5490509109423 69.4791896480895 69.6189121737951 2 1 1 115 1.19466724902154 -0.160483099048119 0.888901708969257
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7883 M591T2681 M590.6T44.7 590.600036621094 590.600036621094 590.600036621094 44.6872010390512 44.6872010390512 44.6872010390512 1 1 0 685 7.9932795246312 -0.868127624217598 0.54128579515756
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7884 M591T2832 M590.6T47.2 590.600036621094 590.600036621094 590.600036621094 47.207185891064 47.207185891064 47.207185891064 1 0 1 4593 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7885 M591T2575 M590.8T42.9 590.799987792969 590.799987792969 590.799987792969 42.9113995766058 42.9113995766058 42.9113995766058 1 1 0 4085 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7886 M591T2928 M590.9T48.8 590.900024414062 590.900024414062 590.900024414062 48.8056697156187 48.8056697156187 48.8056697156187 1 1 0 86 2.58666180586745 -0.649720801475651 0.631844045426451
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7887 M591T2622 M591T43.7 591 591 591 43.697161463341 43.697161463341 43.697161463341 1 0 1 53 1.57317113333315 0.485412773100333 0.71207583692786
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7888 M591T3058 M591T51 591 591 591 50.9725029969506 50.9725029969506 50.9725029969506 1 0 1 5777 1.64382628765431 0.334611472974122 0.775536234709778
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7889 M591T3461 M591.1T57.7 591.100036621094 591.100036621094 591.100036621094 57.6778499237897 57.6778499237897 57.6778499237897 1 1 0 1258 14.5784243848137 -5.32777265202053 0.0720587738409921
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7890 M591T3836 M591.1T63.9 591.100036621094 591.100036621094 591.100036621094 63.938392987768 63.938392987768 63.938392987768 1 0 1 3361 2.08551488742654 0.46933654276502 0.700151513006132
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7891 M591T4189 M591.1T69.8 591.100036621094 591.100036621094 591.100036621094 69.8120272037861 69.8120272037861 69.8120272037861 1 0 1 6067 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7892 M591T2609 M591.2T43.5 591.200012207031 591.200012207031 591.200012207031 43.4876611378167 43.4876611378167 43.4876611378167 1 0 1 4023 6.90527450787964 1.54553448532465 0.342183956768064
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7893 M591T3005 M591.2T50.1 591.200012207031 591.200012207031 591.200012207031 50.0810568663188 50.0810568663188 50.0810568663188 1 1 0 4096 54.3230029726962 -1.32006078823115 0.412528303241354
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7894 M591T2958 M591.2T49.3 591.200012207031 591.200012207031 591.200012207031 49.2947707736621 49.2947707736621 49.2947707736621 1 0 1 3232 3.24094680998018 0.699400813006683 0.60410087110418
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7895 M591T2996 M591.3T49.9 591.299987792969 591.299987792969 591.299987792969 49.9392689578684 49.9245463702824 49.9539915454543 2 1 1 [170][M+1]- 32 3.37390886252825 0.760911510167791 0.579602862519486
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7896 M591T2764 M591.3T46.1 591.299987792969 591.299987792969 591.299987792969 46.0727166645049 46.0727166645049 46.0727166645049 1 0 1 3816 2.5162466933909 -0.696607616003214 0.578097237667582
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7897 M591T3450 M591.3T57.5 591.299987792969 591.299987792969 591.299987792969 57.4997383116129 57.4997383116129 57.4997383116129 1 0 1 3339 3.75744317963291 5.32774587709554 0.0945122334326736
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7898 M591T2730 M591.3T45.5 591.299987792969 591.299987792969 591.299987792969 45.4990851917742 45.4990851917742 45.4990851917742 1 0 1 2458 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7899 M591T3689 M591.4T61.5 591.400024414062 591.400024414062 591.400024414062 61.4896817451575 61.4386665319626 61.5406969583524 2 1 1 568 2.36397079436246 -0.680115967427141 0.581508717968277
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7900 M591T4128 M591.4T68.8 591.400024414062 591.400024414062 591.400024414062 68.8075175566691 68.8075175566691 68.8075175566691 1 0 1 [171][M]- [M+Cl]- 556.43 23 1.20558506815721 -0.171161744078726 0.879853950208909
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7901 M591T3152 M591.4T52.5 591.400024414062 591.400024414062 591.400024414062 52.5389988150473 52.5389988150473 52.5389988150473 1 1 0 3051 3.50189591292227 -1.49423489025204 0.373827752679625
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7902 M591T2931 M591.4T48.9 591.400024414062 591.400024414062 591.400024414062 48.8582026588799 48.8582026588799 48.8582026588799 1 0 1 3637 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7903 M591T2842 M591.4T47.4 591.400024414062 591.400024414062 591.400024414062 47.3653890633037 47.3653890633037 47.3653890633037 1 0 1 6054 6.43610621017207 1.31837000348476 0.394579299225502
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7904 M591T3566 M591.4T59.4 591.400024414062 591.400024414062 591.400024414062 59.4357194890303 59.4357194890303 59.4357194890303 1 1 0 1687 Inf -1 0.5
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7905 M591T3582 M591.4T59.7 591.400024414062 591.400024414062 591.400024414062 59.6977237205446 59.6977237205446 59.6977237205446 1 0 1 1688 1.7146006754636 0.360017222316706 0.760446757831175
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7906 M591T4431 M591.4T73.8 591.400024414062 591.400024414062 591.400024414062 73.8491624072004 73.8491624072004 73.8491624072004 1 0 1 6190 5.72191752455312 0.812912251412252 0.559038546186595
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7907 M592T3654 M591.5T60.9 591.5 591.5 591.5 60.9050570460149 60.9050570460149 60.9050570460149 1 0 1 2414 Inf 1 0.5
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7908 M592T4176 M591.5T69.6 591.5 591.5 591.5 69.5927325930257 69.5927325930257 69.5927325930257 1 1 0 [M+Cl]- 556.525 115 1.54993302651819 -0.342541525382017 0.784118122135333
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7909 M592T2939 M591.5T49 591.5 591.5 591.5 48.9813636525727 48.9813636525727 48.9813636525727 1 0 1 2826 2.28687841584681 0.515584693021052 0.677021493031513
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7910 M592T3351 M591.6T55.8 591.600036621094 591.600036621094 591.600036621094 55.8476159036111 55.8476159036111 55.8476159036111 1 1 0 688 Inf -1 0.5
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7911 M592T2548 M591.8T42.5 591.799987792969 591.799987792969 591.799987792969 42.4704444711501 42.4704444711501 42.4704444711501 1 0 1 5172 Inf 1 0.5
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7912 M592T2574 M591.9T42.9 591.900024414062 591.900024414062 591.900024414062 42.9019347480001 42.9019347480001 42.9019347480001 1 0 1 104 Inf 1 0.5
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7913 M592T3097 M592T51.6 592 592 592 51.6096782088438 51.6096782088438 51.6096782088438 1 0 1 5377 2.34048104991554 0.526678006868653 0.671686528100774
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7914 M592T2580 M592T43 592 592 592 43.0062680813335 43.0062680813335 43.0062680813335 1 0 1 5694 Inf 2.90985915492952 0.210730636698538
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7915 M592T3155 M592T52.6 592 592 592 52.5832662105394 52.5832662105394 52.5832662105394 1 0 1 5905 1.1254386258976 0.104534531519389 0.93079567776362
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7916 M592T3427 M592T57.1 592 592 592 57.1242122689313 57.1242122689313 57.1242122689313 1 1 0 5276 Inf -1 0.5
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7917 M592T2958 M592T49.3 592 592 592 49.2990401143379 49.2990401143379 49.2990401143379 1 1 0 3285 5.59484633344929 -0.808451984994854 0.560505578581289
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7918 M592T2526 M592T42.1 592 592 592 42.1028495766058 42.1028495766058 42.1028495766058 1 1 0 5965 6.58719795921985 -1.23150846766322 0.419456451076622
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7919 M592T3103 M592.1T51.7 592.100036621094 592.100036621094 592.100036621094 51.7159699869175 51.6511943998491 51.7807455739858 2 1 1 [172][M]- [M-2H+Na]- 571.112 68 1.0030737791984 0.0030160850728546 0.997958753940609
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7920 M592T3052 M592.1T50.9 592.100036621094 592.100036621094 592.100036621094 50.863709738917 50.7939197442855 50.9334997335484 2 1 1 [M-H]- 593.105 81 1.15116393401428 0.109200642954955 0.923779725763125
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7921 M592T3677 M592.1T61.3 592.100036621094 592.100036621094 592.100036621094 61.2775245630252 61.2775245630252 61.2775245630252 1 1 0 3699 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7922 M592T3748 M592.1T62.5 592.100036621094 592.100036621094 592.100036621094 62.4656347411346 62.4656347411346 62.4656347411346 1 1 0 1078 2.81777703452802 -1.04988046359996 0.414148020968629
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7923 M592T3714 M592.1T61.9 592.100036621094 592.100036621094 592.100036621094 61.8962799284463 61.8962799284463 61.8962799284463 1 0 1 1209 1.33515574485381 0.200917649483288 0.860630043112951
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7924 M592T3666 M592.2T61.1 592.200012207031 592.200012207031 592.200012207031 61.0975340621041 61.0975340621041 61.0975340621041 1 1 0 [M+Cl+NaCOOH]- 489.235 [M+Cl+HCOOH]- 511.233 [M+HCOO]- 547.206 2 2.86162313390728 0.888155974197284 0.49102496284923
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7925 M592T3792 M592.2T63.2 592.200012207031 592.200012207031 592.200012207031 63.1967760947888 63.1967760947888 63.1967760947888 1 1 0 5769 Inf -2.55129067041488 0.23781241207703
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7926 M592T2986 M592.2T49.8 592.200012207031 592.200012207031 592.200012207031 49.7690927274696 49.7690927274696 49.7690927274696 1 0 1 4636 4.59063371345241 0.872398466773039 0.543079055843228
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7927 M592T3127 M592.3T52.1 592.299987792969 592.299987792969 592.299987792969 52.1170931047247 52.1170931047247 52.1170931047247 1 1 0 5593 Inf -1 0.5
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7928 M592T2997 M592.3T50 592.299987792969 592.299987792969 592.299987792969 49.9539915454543 49.9539915454543 49.9539915454543 1 0 1 [170][M+2]- 32 2.08476797211616 0.556872085441166 0.657562236016362
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7929 M592T4212 M592.3T70.2 592.299987792969 592.299987792969 592.299987792969 70.2009195746585 70.2009195746585 70.2009195746585 1 0 1 4949 5.28277234467863 2.43330501747033 0.210141564730416
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7930 M592T4280 M592.4T71.3 592.400024414062 592.400024414062 592.400024414062 71.3302858483176 71.3302858483176 71.3302858483176 1 0 1 266 Inf 1.71555555555571 0.335977505538464
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7931 M592T4132 M592.4T68.9 592.400024414062 592.400024414062 592.400024414062 68.8592396341954 68.8592396341954 68.8592396341954 1 0 1 [171][M+1]- 23 1.03705668434311 0.0359617753003798 0.975213631475486
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7932 M592T2960 M592.4T49.3 592.400024414062 592.400024414062 592.400024414062 49.3250663083565 49.3250663083565 49.3250663083565 1 1 0 3286 Inf -1 0.5
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7933 M592T3408 M592.4T56.8 592.400024414062 592.400024414062 592.400024414062 56.798835200874 56.798835200874 56.798835200874 1 0 1 2556 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7934 M592T3309 M592.5T55.1 592.5 592.5 592.5 55.1430121663691 55.1430121663691 55.1430121663691 1 0 1 565 16.6632005977361 0.938299396522778 0.519359668408012
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7935 M592T2720 M592.5T45.3 592.5 592.5 592.5 45.3345650607074 45.3345650607074 45.3345650607074 1 0 1 2538 Inf 4.03689791297675 0.154588394642758
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7936 M592T2745 M592.5T45.7 592.5 592.5 592.5 45.7494793114797 45.7494793114797 45.7494793114797 1 1 0 4613 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7937 M592T3920 M592.5T65.3 592.5 592.5 592.5 65.3261941974717 65.3261941974717 65.3261941974717 1 0 1 2953 Inf 1 0.5
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lecorguille
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7938 M592T3490 M592.5T58.2 592.5 592.5 592.5 58.1721785194111 58.1721785194111 58.1721785194111 1 0 1 1816 1.04198713717888 -0.0323684967662014 0.977335332919584
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7939 M592T2785 M592.5T46.4 592.5 592.5 592.5 46.4172129153222 46.4172129153222 46.4172129153222 1 0 1 933 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7940 M593T2894 M592.7T48.2 592.700012207031 592.700012207031 592.700012207031 48.2299333733085 48.2299333733085 48.2299333733085 1 0 1 3821 4.27078214755524 0.759932656995743 0.583158881786106
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7941 M593T2821 M592.7T47 592.700012207031 592.700012207031 592.700012207031 47.0244416379157 47.0244416379157 47.0244416379157 1 0 1 3316 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7942 M593T3502 M592.7T58.4 592.700012207031 592.700012207031 592.700012207031 58.3748252024416 58.3748252024416 58.3748252024416 1 1 0 3402 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7943 M593T2907 M592.8T48.5 592.799987792969 592.799987792969 592.799987792969 48.4542232543647 48.3602650167811 48.5481814919484 2 1 1 3934 1.31342619135722 0.208356615916409 0.858777301339116
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7944 M593T2521 M592.9T42 592.900024414062 592.900024414062 592.900024414062 42.0245995766058 42.0245995766058 42.0245995766058 1 1 0 5041 1.00656421143676 -0.00533397840487715 0.996271813547671
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7945 M593T2650 M592.9T44.2 592.900024414062 592.900024414062 592.900024414062 44.1733746991486 44.1733746991486 44.1733746991486 1 0 1 5851 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7946 M593T3223 M592.9T53.7 592.900024414062 592.900024414062 592.900024414062 53.7100648380425 53.7100648380425 53.7100648380425 1 0 1 4339 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7947 M593T2570 M592.9T42.8 592.900024414062 592.900024414062 592.900024414062 42.8331662432725 42.8331662432725 42.8331662432725 1 1 0 5300 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7948 M593T3488 M593T58.1 593 593 593 58.1342574215675 58.120684287319 58.1478305558159 2 1 1 31 3.06417593030675 -3.69611739275008 0.0732841006026437
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7949 M593T3430 M593T57.2 593 593 593 57.1611244463168 57.1611244463168 57.1611244463168 1 0 1 5277 1.42046283065532 -0.289115122830741 0.799778571946175
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7950 M593T3107 M593.1T51.8 593.100036621094 593.100036621094 593.100036621094 51.7807455739858 51.7807455739858 51.7807455739858 1 0 1 [172][M+1]- 68 1.01337035683556 -0.0155131843790352 0.989529389917729
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7951 M593T4073 M593.2T67.9 593.200012207031 593.200012207031 593.200012207031 67.8880238713253 67.8880238713253 67.8880238713253 1 1 0 3854 2.70739693148747 -1.24440886977806 0.339818171272357
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7952 M593T3864 M593.2T64.4 593.200012207031 593.200012207031 593.200012207031 64.401627072705 64.401627072705 64.401627072705 1 1 0 [M-H]- 594.208 21 1.64975086192056 -0.647655062402145 0.632994658879672
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7953 M593T4045 M593.2T67.4 593.200012207031 593.200012207031 593.200012207031 67.420518186382 67.420518186382 67.420518186382 1 0 1 4102 1.47604127796282 0.340044164683475 0.766227665262647
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7954 M593T3179 M593.2T53 593.200012207031 593.200012207031 593.200012207031 52.9765462364708 52.9765462364708 52.9765462364708 1 1 0 800 14.4730933404802 -3.1169502353569 0.176946833520319
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7955 M593T3256 M593.3T54.3 593.299987792969 593.299987792969 593.299987792969 54.2696873111471 54.2474728817552 54.2919017405391 2 1 1 34 1.58328269782723 -0.812066227640193 0.502534045191481
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7956 M593T3448 M593.3T57.5 593.299987792969 593.299987792969 593.299987792969 57.4737949279535 57.4737949279535 57.4737949279535 1 0 1 2939 1.75739904541077 1.31777887111569 0.383560280870018
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7957 M593T2718 M593.3T45.3 593.299987792969 593.299987792969 593.299987792969 45.2957747944985 45.2957747944985 45.2957747944985 1 1 0 2447 1.2570750518282 0.255203321771444 0.839996513205526
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7958 M593T3730 M593.3T62.2 593.299987792969 593.299987792969 593.299987792969 62.1622607964519 62.1622607964519 62.1622607964519 1 1 0 3589 2.97816110660289 -0.875040922832359 0.516533294831218
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7959 M593T3700 M593.4T61.7 593.400024414062 593.400024414062 593.400024414062 61.6676309261728 61.6669788967231 61.6682829556225 2 2 0 109 5.42502194890238 -1.29069359849204 0.401731235536135
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7960 M593T4137 M593.4T68.9 593.400024414062 593.400024414062 593.400024414062 68.9440961100042 68.9440961100042 68.9440961100042 1 0 1 3999 1.07631879338445 -0.0945741555783006 0.933985157464874
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7961 M593T3809 M593.4T63.5 593.400024414062 593.400024414062 593.400024414062 63.4777083141576 63.4777083141576 63.4777083141576 1 0 1 3722 12.3136818052253 1.12574467446784 0.459518414216829
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7962 M593T3426 M593.4T57.1 593.400024414062 593.400024414062 593.400024414062 57.0975984460567 57.0975984460567 57.0975984460567 1 1 0 5278 3.65727066729471 -0.700845629588582 0.598097480682733
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7963 M593T3275 M593.4T54.6 593.400024414062 593.400024414062 593.400024414062 54.5833089406657 54.5833089406657 54.5833089406657 1 0 1 5024 2.75796698619149 1.46196559935404 0.298107139935649
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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7964 M593T3255 M593.4T54.3 593.400024414062 593.400024414062 593.400024414062 54.2513997954515 54.2513997954515 54.2513997954515 1 0 1 34 2.42050068921773 0.542396192782841 0.664267543802978
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7965 M594T3711 M593.5T61.9 593.5 593.5 593.5 61.8501716451439 61.8501716451439 61.8501716451439 1 1 0 17 5.03273048264236 -0.793001121633205 0.565022810438462
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7966 M594T4039 M593.5T67.3 593.5 593.5 593.5 67.3089195461161 67.3089195461161 67.3089195461161 1 1 0 3788 30.7360992945613 -0.966953328755952 0.510422748835219
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7967 M594T3754 M593.5T62.6 593.5 593.5 593.5 62.569709744002 62.569709744002 62.569709744002 1 1 0 1079 1.12932232807254 0.12765351239709 0.918369090155406
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7968 M594T2745 M593.7T45.8 593.700012207031 593.700012207031 593.700012207031 45.7503290033156 45.7503290033156 45.7503290033156 1 0 1 4614 3.97744987996201 0.725989058579121 0.588878089302481
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7969 M594T2792 M593.7T46.5 593.700012207031 593.700012207031 593.700012207031 46.526391340565 46.526391340565 46.526391340565 1 0 1 12 Inf 1 0.5
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7970 M594T2605 M593.8T43.4 593.799987792969 593.799987792969 593.799987792969 43.4094111378167 43.4094111378167 43.4094111378167 1 0 1 5251 Inf 1 0.5
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7971 M594T3041 M593.9T50.7 593.900024414062 593.900024414062 593.900024414062 50.6809417543792 50.6809417543792 50.6809417543792 1 1 0 3230 Inf -1 0.5
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7972 M594T2538 M593.9T42.3 593.900024414062 593.900024414062 593.900024414062 42.3020347480001 42.3020347480001 42.3020347480001 1 0 1 5915 8.11318051575936 0.870158921220367 0.540644346153468
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7974 M594T3352 M594T55.9 594 594 594 55.8746527962526 55.8746527962526 55.8746527962526 1 0 1 740 Inf 1 0.5
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7975 M594T3706 M594T61.8 594 594 594 61.7690431357558 61.7690431357558 61.7690431357558 1 1 0 1210 Inf -1 0.5
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7976 M594T3224 M594T53.7 594 594 594 53.7364277029675 53.7364277029675 53.7364277029675 1 0 1 4340 3.64831515934827 0.700078534324306 0.598383561682996
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7977 M594T2603 M594T43.4 594 594 594 43.3857714460137 43.3857714460137 43.3857714460137 1 1 0 [173][M]- 5241 4.46270913817801 -1.007973092377 0.494146919591499
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7978 M594T4171 M594.1T69.5 594.100036621094 594.100036621094 594.100036621094 69.5142005486923 69.5142005486923 69.5142005486923 1 1 0 5939 Inf -1 0.5
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7979 M594T4330 M594.2T72.2 594.200012207031 594.200012207031 594.200012207031 72.1727233598261 72.1727233598261 72.1727233598261 1 1 0 6120 7.16669182911059 -0.85220940580796 0.546336711534106
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7980 M594T3366 M594.2T56.1 594.200012207031 594.200012207031 594.200012207031 56.0965892015683 56.0965892015683 56.0965892015683 1 0 1 [M+Cl]- 559.229 [M-H]- 595.211 126 1.89506818515664 0.889932890643857 0.482804878778147
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7981 M594T3315 M594.3T55.2 594.299987792969 594.299987792969 594.299987792969 55.2480367227086 55.2480367227086 55.2480367227086 1 0 1 505 1.03326029506433 0.0321885820404283 0.979514655846556
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7982 M594T3606 M594.3T60.1 594.299987792969 594.299987792969 594.299987792969 60.1008688487543 60.1008688487543 60.1008688487543 1 1 0 127 4.27388486481041 -2.89926707853033 0.124990612711817
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7983 M594T3758 M594.3T62.6 594.299987792969 594.299987792969 594.299987792969 62.6351257138066 62.6351257138066 62.6351257138066 1 0 1 13 2.6327417043674 1.78689300914008 0.304194694310256
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7984 M594T4362 M594.3T72.7 594.299987792969 594.299987792969 594.299987792969 72.6943733598261 72.6943733598261 72.6943733598261 1 1 0 6204 Inf -1 0.5
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7985 M594T2668 M594.4T44.5 594.400024414062 594.400024414062 594.400024414062 44.4743806019728 44.4743806019728 44.4743806019728 1 1 0 4066 3.59221334448167 -0.695185834005034 0.600215175524642
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7986 M594T2532 M594.4T42.2 594.400024414062 594.400024414062 594.400024414062 42.2071829099392 42.2071829099392 42.2071829099392 1 1 0 5609 Inf -1 0.5
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7987 M594T4352 M594.4T72.5 594.400024414062 594.400024414062 594.400024414062 72.5378900264927 72.5378900264927 72.5378900264927 1 1 0 310 2.83536169627163 -0.610456667446343 0.633995809268513
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7988 M594T3256 M594.4T54.3 594.400024414062 594.400024414062 594.400024414062 54.2651757860585 54.2651757860585 54.2651757860585 1 0 1 34 Inf 1 0.5
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7989 M594T3834 M594.4T63.9 594.400024414062 594.400024414062 594.400024414062 63.8990412517743 63.8990412517743 63.8990412517743 1 0 1 75 1.72263894164258 0.446763299803967 0.718759481279653
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7990 M594T3609 M594.4T60.1 594.400024414062 594.400024414062 594.400024414062 60.1499408556889 60.1499408556889 60.1499408556889 1 1 0 4676 Inf -2.53545162190584 0.239162509329562
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7991 M594T3901 M594.5T65 594.5 594.5 594.5 65.0218722381046 65.0218722381046 65.0218722381046 1 1 0 4790 Inf -1 0.5
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7992 M594T3484 M594.5T58.1 594.5 594.5 594.5 58.0688990556048 58.0688990556048 58.0688990556048 1 1 0 1817 Inf -1 0.5
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7993 M595T4301 M594.6T71.7 594.600036621094 594.600036621094 594.600036621094 71.6843124072004 71.6843124072004 71.6843124072004 1 0 1 6193 Inf 1 0.5
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7994 M595T4023 M594.6T67 594.600036621094 594.600036621094 594.600036621094 67.0484207620529 67.0484207620529 67.0484207620529 1 0 1 5586 Inf 1 0.5
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7995 M595T4173 M594.7T69.6 594.700012207031 594.700012207031 594.700012207031 69.5565662589436 69.5565662589436 69.5565662589436 1 0 1 4424 Inf 1 0.5
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7996 M595T2725 M594.8T45.4 594.799987792969 594.799987792969 594.799987792969 45.4149190144688 45.4149190144688 45.4149190144688 1 0 1 2539 Inf 1.47026930725611 0.380238676099325
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7997 M595T2761 M594.8T46 594.799987792969 594.799987792969 594.799987792969 46.0095924916702 46.0095924916702 46.0095924916702 1 1 0 5496 3.16480395972725 -0.67525315252342 0.617295344327768
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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7998 M595T2655 M594.8T44.3 594.799987792969 594.799987792969 594.799987792969 44.2529407694737 44.2529407694737 44.2529407694737 1 0 1 5852 8.12317591738352 1.424326075444 0.376385742967944
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7999 M595T2603 M595T43.4 595 595 595 43.3857714460137 43.3857714460137 43.3857714460137 1 1 0 [173][M+1]- 5241 2.89213552276908 -0.781449038367131 0.56060126010984
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8000 M595T3000 M595.2T50 595.200012207031 595.200012207031 595.200012207031 50.0044830418138 49.9539915454543 50.0549745381733 2 1 1 [174][M]- 32 2.6757326285982 0.685156826350719 0.60726194836297
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8001 M595T2650_1 M595.2T44.2_1 595.200012207031 595.200012207031 595.200012207031 44.1596316145613 44.1596316145613 44.1596316145613 1 0 1 5683 8.73322371557995 1.14063239009432 0.4519068284965
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8002 M595T3780 M595.3T63 595.299987792969 595.299987792969 595.299987792969 63.0023932176446 63.0023932176446 63.2229612692366 3 1 1 [M+Cl]- 560.325 88 1.16996571075839 0.118285667307307 0.916910396249697
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8003 M595T4205 M595.3T70.1 595.299987792969 595.299987792969 595.299987792969 70.0900225365801 70.0900225365801 70.0900225365801 1 1 0 4922 1.50249110917327 -1.8749598956295 0.311085990466899
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8004 M595T2543 M595.3T42.4 595.299987792969 595.299987792969 595.299987792969 42.3802847480001 42.3802847480001 42.3802847480001 1 0 1 5173 8.16797145443921 0.871066669137806 0.540357900558988
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8005 M595T4342 M595.3T72.4 595.299987792969 595.299987792969 595.299987792969 72.3624624072004 72.3624624072004 72.3624624072004 1 0 1 267 Inf 1 0.5
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8006 M595T3666 M595.4T61.1 595.400024414062 595.400024414062 595.400024414062 61.1057290380508 61.0975340621041 61.1139240139975 2 1 1 459 2.7998310039574 -0.605381079900247 0.636152204467444
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8007 M595T3555 M595.4T59.3 595.400024414062 595.400024414062 595.400024414062 59.2556307958807 59.2119217188219 59.2993398729394 2 0 2 5589 1.64867678904019 1.70574963926723 0.236503811792327
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8008 M595T3493 M595.4T58.2 595.400024414062 595.400024414062 595.400024414062 58.2199122659174 58.2199122659174 58.2199122659174 1 1 0 1818 Inf -1.53714860117082 0.367180266054211
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8009 M595T2520 M595.4T42 595.400024414062 595.400024414062 595.400024414062 41.9985162432725 41.9985162432725 41.9985162432725 1 1 0 5067 11.0703806650711 -1.25518489967664 0.423423982324162
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8010 M595T2753 M595.4T45.9 595.400024414062 595.400024414062 595.400024414062 45.8753003321848 45.8753003321848 45.8753003321848 1 0 1 4366 1.22841432449176 0.14420252131512 0.899038607162115
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8011 M595T4209 M595.4T70.2 595.400024414062 595.400024414062 595.400024414062 70.1540865774829 70.1540865774829 70.1540865774829 1 0 1 [M+Cl]- 560.433 [M-H]- 596.409 140 3.09048519795296 1.70582394583601 0.303098056231577
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8012 M595T2650_2 M595.4T44.2_2 595.400024414062 595.400024414062 595.400024414062 44.1727834936219 44.1727834936219 44.1727834936219 1 1 0 5840 Inf -1 0.5
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8013 M595T2818 M595.4T47 595.400024414062 595.400024414062 595.400024414062 46.9722852895859 46.9722852895859 46.9722852895859 1 0 1 73 Inf 1 0.5
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8014 M595T3782 M595.4T63 595.400024414062 595.400024414062 595.400024414062 63.0397173259654 63.0397173259654 63.0397173259654 1 1 0 3683 1.79109692183448 0.393564612633807 0.740165544517557
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8015 M595T3326 M595.4T55.4 595.400024414062 595.400024414062 595.400024414062 55.4340142637695 55.4340142637695 55.4340142637695 1 1 0 1130 Inf -1.7640851811368 0.328304763222846
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8016 M595T3619 M595.4T60.3 595.400024414062 595.400024414062 595.400024414062 60.3195783006915 60.3195783006915 60.3195783006915 1 0 1 [175][M]- 2592 1.80845831118991 -0.767811588871061 0.563794756865823
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8017 M596T4034 M595.5T67.2 595.5 595.5 595.5 67.2297583167141 67.2297583167141 67.2297583167141 1 1 0 3789 1.51828336085196 -0.340895800905384 0.790604777377385
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8027 M596T3709 M596T61.8 596 596 596 61.817803184411 61.817803184411 61.817803184411 1 0 1 1211 1.98973494213825 0.444446890785083 0.71319285429907
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8028 M596T3313 M596T55.2 596 596 596 55.2217695481591 55.2217695481591 55.2217695481591 1 0 1 566 2.41760419998492 0.586360581610606 0.662377697060228
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8029 M596T2536 M596T42.3 596 596 596 42.2642214460137 42.2642214460137 42.2642214460137 1 1 0 5788 2.13369617355403 -0.622221777501039 0.605861126078077
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8030 M596T3014 M596T50.2 596 596 596 50.2399667996252 50.2399667996252 50.2399667996252 1 1 0 2095 3.91408937029773 -1.04300941045216 0.453838335249516
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8031 M596T3670 M596.1T61.2 596.100036621094 596.100036621094 596.100036621094 61.1630778176642 61.1630778176642 61.1630778176642 1 1 0 460 3.78917494961179 -1.39579109321401 0.32501519462887
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8032 M596T4172 M596.1T69.5 596.100036621094 596.100036621094 596.100036621094 69.5403852759756 69.5403852759756 69.5403852759756 1 1 0 4425 Inf -1 0.5
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8033 M596T3571 M596.1T59.5 596.100036621094 596.100036621094 596.100036621094 59.5162516668273 59.5162516668273 59.5162516668273 1 1 0 1629 3.26296034461581 -1.66846633676407 0.238102373709183
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8034 M596T4092 M596.2T68.2 596.200012207031 596.200012207031 596.200012207031 68.2065490621238 68.2065490621238 68.2065490621238 1 1 0 143 Inf -1 0.5
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8035 M596T4061 M596.2T67.7 596.200012207031 596.200012207031 596.200012207031 67.6837150407965 67.6837150407965 67.6837150407965 1 1 0 4705 7.46626862329656 -2.82975051753486 0.149788733987364
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8036 M596T4107 M596.2T68.4 596.200012207031 596.200012207031 596.200012207031 68.4456488229912 68.4456488229912 68.4456488229912 1 0 1 2319 1.12547879436127 0.0833437569943166 0.941262044897591
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8037 M596T2991 M596.2T49.8 596.200012207031 596.200012207031 596.200012207031 49.8462921221805 49.8462921221805 49.8462921221805 1 1 0 [174][M+1]- 32 2.9683687010205 0.713778093805006 0.602068409416471
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8038 M596T4146 M596.2T69.1 596.200012207031 596.200012207031 596.200012207031 69.0945966613164 69.0945966613164 69.0945966613164 1 1 0 5838 28.9396560286855 -1.24818276981494 0.429381710955387
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8039 M596T4219 M596.2T70.3 596.200012207031 596.200012207031 596.200012207031 70.3208179544196 70.3208179544196 70.3208179544196 1 1 0 5338 Inf -1 0.5
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8040 M596T3801 M596.3T63.4 596.299987792969 596.299987792969 596.299987792969 63.3538872691912 63.3538872691912 63.3538872691912 1 1 0 58 21.969574727794 -1.0945430871102 0.471087866671983
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8041 M596T3814 M596.3T63.6 596.299987792969 596.299987792969 596.299987792969 63.570206330049 63.570206330049 63.570206330049 1 1 0 [M-H-H2]- 599.311 46 10.9881986742685 -0.975946836948569 0.505595724906932
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8042 M596T2662 M596.3T44.4 596.299987792969 596.299987792969 596.299987792969 44.3592744980949 44.3592744980949 44.3592744980949 1 0 1 2261 1.26444370066717 0.164038316574022 0.885483936714397
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8043 M596T3005 M596.3T50.1 596.299987792969 596.299987792969 596.299987792969 50.0810568663188 50.0810568663188 50.0810568663188 1 1 0 4100 Inf -1 0.5
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8044 M596T3183 M596.3T53.1 596.299987792969 596.299987792969 596.299987792969 53.0547557047023 53.0547557047023 53.0547557047023 1 1 0 40 4.44502034577545 -1.81273430049414 0.235970916173773
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8045 M596T4138 M596.3T69 596.299987792969 596.299987792969 596.299987792969 68.9626554841847 68.9626554841847 68.9626554841847 1 0 1 4000 2.33423192620694 0.990501830748369 0.497523845483785
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8046 M596T3243 M596.3T54.1 596.299987792969 596.299987792969 596.299987792969 54.05229990878 54.05229990878 54.05229990878 1 1 0 80 Inf -1 0.5
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8047 M596T3811 M596.4T63.5 596.400024414062 596.400024414062 596.400024414062 63.5194955368423 63.5194955368423 63.5194955368423 2 0 1 46 2.8346474086431 -0.636224563539026 0.629005016365636
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8048 M596T3068 M596.4T51.1 596.400024414062 596.400024414062 596.400024414062 51.1386255195752 51.1386255195752 51.1386255195752 1 1 0 2444 Inf -1 0.5
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8049 M596T3695 M596.4T61.6 596.400024414062 596.400024414062 596.400024414062 61.5906488773139 61.5906488773139 61.5906488773139 1 1 0 624 Inf -1 0.5
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8050 M596T2678 M596.4T44.6 596.400024414062 596.400024414062 596.400024414062 44.6340649183402 44.6340649183402 44.6340649183402 1 1 0 686 Inf -1 0.5
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8051 M596T3789 M596.4T63.1 596.400024414062 596.400024414062 596.400024414062 63.1444118488917 63.1444118488917 63.1444118488917 1 1 0 [M+Cl]- 561.433 [M-H]- 597.409 117 4.22271679010307 -2.39604475912703 0.141465139902635
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8052 M596T3475 M596.4T57.9 596.400024414062 596.400024414062 596.400024414062 57.9101538329849 57.9101538329849 57.9101538329849 1 1 0 1819 Inf -1 0.5
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8053 M596T3612 M596.4T60.2 596.400024414062 596.400024414062 596.400024414062 60.1930182936578 60.1930182936578 60.1930182936578 1 0 1 [175][M+1]- 2569 1.19819900031148 0.150665608067651 0.899085169028496
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8054 M596T3178 M596.5T53 596.5 596.5 596.5 52.9700385229021 52.9700385229021 52.9700385229021 1 0 1 762 Inf 1 0.5
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8055 M597T3972 M596.6T66.2 596.600036621094 596.600036621094 596.600036621094 66.1981457355485 66.1981457355485 66.1981457355485 1 1 0 2069 Inf -1 0.5
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8056 M597T2542 M596.7T42.4 596.700012207031 596.700012207031 596.700012207031 42.3636662432725 42.3636662432725 42.3636662432725 1 1 0 5559 Inf -1 0.5
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8057 M597T2724 M596.8T45.4 596.799987792969 596.799987792969 596.799987792969 45.3955462015806 45.3955462015806 45.3955462015806 1 0 1 2540 Inf 1.21058558255742 0.439536562640465
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8058 M597T2531 M596.8T42.2 596.799987792969 596.799987792969 596.799987792969 42.1810995766058 42.1810995766058 42.1810995766058 1 1 0 5610 Inf -1 0.5
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8059 M597T2547 M596.8T42.4 596.799987792969 596.799987792969 596.799987792969 42.4443611378167 42.4443611378167 42.4443611378167 1 0 1 5174 Inf 1 0.5
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8060 M597T3074 M596.9T51.2 596.900024414062 596.900024414062 596.900024414062 51.239957255493 51.239957255493 51.239957255493 1 0 1 2445 4.6359489628687 0.783290875408002 0.576443973715329
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8061 M597T2591 M596.9T43.2 596.900024414062 596.900024414062 596.900024414062 43.1771047793471 43.1771047793471 43.1771047793471 1 1 0 2915 3.27273335355251 -0.66413368377345 0.612129233757701
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8062 M597T2562 M596.9T42.7 596.900024414062 596.900024414062 596.900024414062 42.7027495766058 42.7027495766058 42.7027495766058 1 1 0 [M+Cl]- 561.925 65 1.45626390325623 0.454613638287967 0.72750158897683
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8063 M597T3473 M597T57.9 597 597 597 57.8842994067293 57.8842994067293 57.8842994067293 1 1 0 1820 1.8077381866298 -0.439775755982021 0.732672646532454
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8064 M597T3287 M597T54.8 597 597 597 54.7755737431411 54.7755737431411 54.7755737431411 1 1 0 3798 Inf -3.14570285514059 0.195946079946997
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8065 M597T3668 M597.1T61.1 597.100036621094 597.100036621094 597.100036621094 61.1376453253415 61.1376453253415 61.1376453253415 1 1 0 [M+Cl]- 562.128 2 2.76945267257943 -1.0550510819333 0.409807499911797
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8066 M597T3880 M597.1T64.7 597.100036621094 597.100036621094 597.100036621094 64.6610797521984 64.6610797521984 64.6610797521984 1 0 1 2757 Inf 1 0.5
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8067 M597T3794 M597.2T63.2 597.200012207031 597.200012207031 597.200012207031 63.240146229951 63.240146229951 63.240146229951 1 0 1 5408 Inf 2.49997410558424 0.242240156980895
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8068 M597T4089 M597.3T68.2 597.299987792969 597.299987792969 597.299987792969 68.1559710024869 68.1559710024869 68.1559710024869 1 0 1 4959 1.54609024428945 0.711417576104165 0.587650385431721
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8069 M597T2919 M597.3T48.7 597.299987792969 597.299987792969 597.299987792969 48.651933528336 48.651933528336 48.651933528336 1 0 1 [M-H]- 598.31 56 2.55835849593217 0.567325163528187 0.652834596786829
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8070 M597T4136 M597.4T68.9 597.400024414062 597.400024414062 597.400024414062 68.9374216510452 68.9374216510452 68.9374216510452 1 1 0 [2M+Cl]- 281.226 [M-H]- 598.406 99 4.56369577803762 -3.81646415150547 0.0722026864013103
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8071 M597T3017 M597.4T50.3 597.400024414062 597.400024414062 597.400024414062 50.289651646616 50.289651646616 50.289651646616 1 1 0 2165 Inf -1 0.5
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8072 M597T3809 M597.4T63.5 597.400024414062 597.400024414062 597.400024414062 63.4898348905162 63.4898348905162 63.4898348905162 1 1 0 90 24.0577311246605 -0.994805091982693 0.501414246361246
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8073 M597T2793 M597.4T46.6 597.400024414062 597.400024414062 597.400024414062 46.5527161304661 46.5527161304661 46.5527161304661 1 0 1 893 4.56182907763335 0.897907944972541 0.528505321424331
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8074 M597T2534 M597.4T42.2 597.400024414062 597.400024414062 597.400024414062 42.2357111378167 42.2357111378167 42.2357111378167 1 0 1 5899 2.39780634908059 0.538036827206097 0.666308758674094
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8075 M598T3924 M597.5T65.4 597.5 597.5 597.5 65.4045760539848 65.4045760539848 65.4045760539848 1 0 1 2961 22.7929960339741 0.95520799873945 0.51409287649507
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8076 M598T2892 M597.5T48.2 597.5 597.5 597.5 48.1970781341587 48.1970781341587 48.1970781341587 1 0 1 3851 Inf 1 0.5
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8077 M598T3858 M597.5T64.3 597.5 597.5 597.5 64.2931743010309 64.2931743010309 64.2931743010309 1 0 1 1432 15.0578990347724 0.931537737728158 0.521463013876686
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8078 M598T3989 M597.5T66.5 597.5 597.5 597.5 66.489405004446 66.489405004446 66.489405004446 1 1 0 4478 7.84585266261607 -1.0525192241446 0.47725405174122
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8079 M598T2647 M597.5T44.1 597.5 597.5 597.5 44.1203979046234 44.1203979046234 44.1203979046234 1 0 1 5946 Inf 1.32949769033306 0.410546214897722
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8080 M598T3915 M597.6T65.2 597.600036621094 597.600036621094 597.600036621094 65.2453628198148 65.2453628198148 65.2453628198148 1 1 0 5149 Inf -1 0.5
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8081 M598T4240 M597.6T70.7 597.600036621094 597.600036621094 597.600036621094 70.6652537127173 70.6652537127173 70.6652537127173 1 1 0 5793 Inf -1 0.5
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8082 M598T3872 M597.7T64.5 597.700012207031 597.700012207031 597.700012207031 64.5296744191375 64.5296744191375 64.5296744191375 1 0 1 2758 Inf 1 0.5
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8083 M598T2842 M597.7T47.4 597.700012207031 597.700012207031 597.700012207031 47.3620715453329 47.3620715453329 47.3620715453329 1 1 0 6055 Inf -1 0.5
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8084 M598T2529 M597.8T42.1 597.799987792969 597.799987792969 597.799987792969 42.1455347480001 42.1455347480001 42.1455347480001 1 0 1 188 Inf 1 0.5
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8085 M598T2738 M597.8T45.6 597.799987792969 597.799987792969 597.799987792969 45.628120700158 45.628120700158 45.628120700158 1 0 1 4444 2.40487391535513 0.539402607610862 0.665667898937496
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8086 M598T3057 M597.9T51 597.900024414062 597.900024414062 597.900024414062 50.950822438309 50.950822438309 50.950822438309 1 0 1 3474 1.98690188053826 0.443678951994446 0.713601792871122
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8087 M598T2566 M597.9T42.8 597.900024414062 597.900024414062 597.900024414062 42.7715180813334 42.7715180813334 42.7715180813334 1 0 1 223 5.01238363369993 0.937679312407348 0.51966044933783
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8088 M598T3685 M598T61.4 598 598 598 61.4095073409087 61.4095073409087 61.4095073409087 1 0 1 625 Inf 1 0.5
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8089 M598T3161 M598T52.7 598 598 598 52.6786376907895 52.6786376907895 52.6786376907895 1 0 1 853 1.27687072272031 -0.170712857529947 0.880950698262251
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8090 M598T3574 M598T59.6 598 598 598 59.5712210078822 59.5712210078822 59.5712210078822 1 1 0 1633 Inf -1 0.5
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8091 M598T3247 M598T54.1 598 598 598 54.1205501417581 54.1205501417581 54.1205501417581 1 0 1 1906 Inf 1 0.5
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8092 M598T3740 M598.1T62.3 598.100036621094 598.100036621094 598.100036621094 62.3358017847853 62.3358017847853 62.3358017847853 1 1 0 4721 6.84592206234905 -1.31201281635212 0.398703751427266
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8093 M598T2986 M598.1T49.8 598.100036621094 598.100036621094 598.100036621094 49.7680463101274 49.7680463101274 49.7680463101274 1 1 0 4622 5.72056785131413 -1.59416351993667 0.318184331984901
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8094 M598T3721 M598.2T62 598.200012207031 598.200012207031 598.200012207031 62.0083996511411 61.932895495876 62.0839038064061 2 1 1 78 1.32367119184963 0.223452487190733 0.851703971469669
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8095 M598T3848 M598.2T64.1 598.200012207031 598.200012207031 598.200012207031 64.1317421799532 64.1317421799532 64.1317421799532 1 1 0 [M-H]- 599.212 21 1.12890059974819 0.0981756593827937 0.930948783691192
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8096 M598T4223 M598.2T70.4 598.200012207031 598.200012207031 598.200012207031 70.3813563172483 70.3813563172483 70.3813563172483 1 0 1 5990 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8097 M598T3218 M598.3T53.6 598.299987792969 598.299987792969 598.299987792969 53.6289782169185 53.6289782169185 53.6289782169185 1 1 0 4341 1.53900251852778 -0.333855914257422 0.787414398462306
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8098 M598T2831 M598.3T47.2 598.299987792969 598.299987792969 598.299987792969 47.1761938363677 47.1761938363677 47.1761938363677 1 1 0 121 4.03179177034639 -1.94277949705175 0.195566044579968
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8099 M598T3699 M598.3T61.6 598.299987792969 598.299987792969 598.299987792969 61.6455061929507 61.6455061929507 61.6455061929507 1 0 1 4198 1.56955681322892 0.434787846199942 0.707154200741656
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8100 M598T3811 M598.3T63.5 598.299987792969 598.299987792969 598.299987792969 63.5166230732481 63.5166230732481 63.5166230732481 1 1 0 [M-H]- 599.311 46 4.71656455601313 -0.860098384952019 0.54125174183846
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8101 M598T3705 M598.4T61.8 598.400024414062 598.400024414062 598.400024414062 61.7501466781274 61.7501466781274 61.7501466781274 1 0 1 [M-H]- 599.405 17 3.97308817980659 -0.830260220457937 0.552919558841203
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8102 M598T3493 M598.4T58.2 598.400024414062 598.400024414062 598.400024414062 58.2236548255302 58.2236548255302 58.2236548255302 1 0 1 1821 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8103 M598T3116 M598.4T51.9 598.400024414062 598.400024414062 598.400024414062 51.9360456525968 51.9360456525968 51.9360456525968 1 1 0 5037 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8104 M598T4234 M598.4T70.6 598.400024414062 598.400024414062 598.400024414062 70.5609203793839 70.5609203793839 70.5609203793839 1 1 0 6138 2.17667431009667 -0.538066234928674 0.684411701926365
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8105 M598T3368 M598.4T56.1 598.400024414062 598.400024414062 598.400024414062 56.1314818528126 56.1314818528126 56.1314818528126 1 0 1 4669 1.14892073002389 0.0977708521272166 0.931180066143191
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8106 M598T3406 M598.4T56.8 598.400024414062 598.400024414062 598.400024414062 56.7596900619163 56.7596900619163 56.7596900619163 1 0 1 1339 1.40080107038739 0.265684120302314 0.826144363304052
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8107 M598T3822 M598.4T63.7 598.400024414062 598.400024414062 598.400024414062 63.7041691665313 63.7041691665313 63.7041691665313 1 1 0 1861 38.976330346762 -0.988087019997747 0.503637268351914
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8108 M598T2677 M598.5T44.6 598.5 598.5 598.5 44.6221200080709 44.6221200080709 44.6221200080709 1 1 0 687 Inf -1 0.5
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8109 M598T2662 M598.5T44.4 598.5 598.5 598.5 44.367864492896 44.367864492896 44.367864492896 1 1 0 2261 8.98642853466189 -0.883269153370821 0.536518671062501
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8110 M598T2956 M598.5T49.3 598.5 598.5 598.5 49.2584532147034 49.2584532147034 49.2584532147034 1 1 0 3209 Inf -1.71579925685349 0.335938164055298
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8111 M598T3177 M598.5T52.9 598.5 598.5 598.5 52.947766074638 52.947766074638 52.947766074638 1 1 0 801 Inf -1 0.5
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8112 M598T2531 M598.5T42.2 598.5 598.5 598.5 42.1810995766058 42.1810995766058 42.1810995766058 1 1 0 5611 6.16265060240973 -0.82691619226425 0.554468525463487
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8113 M598T4020 M598.5T67 598.5 598.5 598.5 66.9920211221164 66.9920211221164 66.9920211221164 1 1 0 5587 Inf -1 0.5
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8114 M598T2762 M598.5T46 598.5 598.5 598.5 46.0265819700675 46.0265819700675 46.0265819700675 1 1 0 [M+Cl+NH3]- 546.506 94 4.8045466687595 -0.775249676490963 0.571623508835591
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8115 M599T4229 M598.6T70.5 598.600036621094 598.600036621094 598.600036621094 70.4845124072004 70.4845124072004 70.4845124072004 1 0 1 5434 3.29171371681024 0.666145771955062 0.611341603971777
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8116 M599T3183 M598.6T53 598.600036621094 598.600036621094 598.600036621094 53.0494677501524 53.0494677501524 53.0494677501524 1 0 1 2212 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8117 M599T2931 M598.7T48.9 598.700012207031 598.700012207031 598.700012207031 48.8574872681435 48.8574872681435 48.8574872681435 1 1 0 3615 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8118 M599T2850 M598.7T47.5 598.700012207031 598.700012207031 598.700012207031 47.4984694680838 47.4984694680838 47.4984694680838 1 0 1 5774 Inf 1 0.5
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8119 M599T2619 M598.8T43.6 598.799987792969 598.799987792969 598.799987792969 43.6417162432725 43.6417162432725 43.6417162432725 1 1 0 2691 2.12570400987555 -0.479191454623777 0.695102419586792
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8120 M599T3091 M598.9T51.5 598.900024414062 598.900024414062 598.900024414062 51.5190323101435 51.5190323101435 51.5190323101435 1 0 1 166 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8121 M599T2620 M598.9T43.7 598.900024414062 598.900024414062 598.900024414062 43.6733380065034 43.6733380065034 43.6733380065034 1 1 0 2692 5.26100947916534 -0.936447600420796 0.520882615528401
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8122 M599T4187 M599T69.8 599 599 599 69.7857137166616 69.7857137166616 69.7857137166616 1 0 1 6068 5.63589643140526 0.809915510850807 0.560023569935952
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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8123 M599T2881 M599.1T48 599.100036621094 599.100036621094 599.100036621094 48.0085306662798 48.0085306662798 48.0085306662798 1 0 1 4753 1.19969982879019 -0.326597228664326 0.795725154076239
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8124 M599T3739 M599.1T62.3 599.100036621094 599.100036621094 599.100036621094 62.319572107393 62.319572107393 62.319572107393 1 1 0 130 7.88902834668042 -0.866309622375391 0.54186044241119
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8125 M599T4202 M599.1T70 599.100036621094 599.100036621094 599.100036621094 70.0376765155409 70.0376765155409 70.0376765155409 1 1 0 5695 2.63566881339043 -0.607314523378873 0.64576481154116
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8126 M599T4160 M599.2T69.3 599.200012207031 599.200012207031 599.200012207031 69.3402507319254 69.2727290120348 69.407772451816 2 1 1 6040 1.02450710582589 0.0400827903542639 0.974069519930026
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8127 M599T3701 M599.2T61.7 599.200012207031 599.200012207031 599.200012207031 61.6872549806172 61.6872549806172 61.6872549806172 1 0 1 4199 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8128 M599T3473 M599.2T57.9 599.200012207031 599.200012207031 599.200012207031 57.884022268109 57.884022268109 57.884022268109 1 0 1 1770 4.14915291378498 11.9920911381446 0.0516296719127005
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8129 M599T4137 M599.2T68.9 599.200012207031 599.200012207031 599.200012207031 68.9440961100042 68.9440961100042 68.9440961100042 1 0 1 [M+Cl]- 564.228 99 3.34563022525368 0.685979088824268 0.609467250946398
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8130 M599T3845 M599.2T64.1 599.200012207031 599.200012207031 599.200012207031 64.0829532534703 64.0829532534703 64.0829532534703 1 0 1 1433 Inf 5.30043883264525 0.118711646028684
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8131 M599T3722 M599.2T62 599.200012207031 599.200012207031 599.200012207031 62.0256451257484 62.0256451257484 62.0256451257484 1 1 0 3458 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8132 M599T3978 M599.2T66.3 599.200012207031 599.200012207031 599.200012207031 66.297163447162 66.297163447162 66.297163447162 1 1 0 2070 7.49987510222314 -0.859061729735218 0.544156898990986
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8133 M599T4055 M599.3T67.6 599.299987792969 599.299987792969 599.299987792969 67.5781408999495 67.5781408999495 67.6515031255186 3 1 1 3410 1.12340560356011 0.0939016699101903 0.933848304485567
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8134 M599T3926 M599.3T65.4 599.299987792969 599.299987792969 599.299987792969 65.4307028752848 65.4307028752848 65.4307028752848 2 0 1 63 1.17290410867693 0.115381880483191 0.918920868266012
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8135 M599T3741 M599.3T62.4 599.299987792969 599.299987792969 599.299987792969 62.3516833479731 62.263722865781 62.4396438301653 2 1 1 1025 1.28970384870994 -0.178016131518077 0.87605328155016
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8136 M599T3433 M599.3T57.2 599.299987792969 599.299987792969 599.299987792969 57.2211040099898 57.2211040099898 57.2211040099898 1 1 0 4884 4.93777942448826 -0.840632123084489 0.544862077556411
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8137 M599T4127 M599.3T68.8 599.299987792969 599.299987792969 599.299987792969 68.7816594215337 68.7816594215337 68.7816594215337 1 0 1 [M-H+NaCOOH]- 532.325 23 1.0841231669298 0.0840863294693396 0.942480191266044
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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8138 M599T3728 M599.4T62.1 599.400024414062 599.400024414062 599.400024414062 62.1322943738121 62.1322943738121 62.1322943738121 1 0 1 3590 8.55809091667057 0.877183469531961 0.538430859645099
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8139 M599T4125 M599.4T68.8 599.400024414062 599.400024414062 599.400024414062 68.7551909651299 68.7551909651299 68.7551909651299 1 1 0 1517 1.3760664587884 -0.235040198509613 0.839694750291835
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8140 M599T2844 M599.4T47.4 599.400024414062 599.400024414062 599.400024414062 47.4005486508707 47.4005486508707 47.4005486508707 1 1 0 5535 1.94813261160072 -0.485317468025549 0.711632461795722
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8141 M599T2970 M599.4T49.5 599.400024414062 599.400024414062 599.400024414062 49.4982749726645 49.4982749726645 49.4982749726645 1 0 1 3287 1.28369928557392 -0.283602299449437 0.824023298371347
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8142 M599T3812 M599.4T63.5 599.400024414062 599.400024414062 599.400024414062 63.5371921982908 63.5371921982908 63.5371921982908 1 1 0 2402 4.36821098980058 -0.999245621681714 0.483251011195392
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8143 M600T2728 M599.5T45.5 599.5 599.5 599.5 45.4677875324447 45.4677875324447 45.4677875324447 1 0 1 2541 Inf 1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8144 M600T3605 M599.5T60.1 599.5 599.5 599.5 60.0797479558412 60.0797479558412 60.0797479558412 1 0 1 1463 Inf 1 0.5
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8145 M600T3410 M599.5T56.8 599.5 599.5 599.5 56.8268960641633 56.8268960641633 56.8268960641633 1 1 0 2557 Inf -1 0.5
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8146 M600T3002 M599.5T50 599.5 599.5 599.5 50.0288900062087 50.0288900062087 50.0288900062087 1 1 0 4097 Inf -1 0.5
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8147 M600T2526 M599.8T42.1 599.799987792969 599.799987792969 599.799987792969 42.0933680813334 42.0933680813334 42.0933680813334 1 0 1 5966 Inf 1 0.5
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8148 M600T2559 M599.8T42.7 599.799987792969 599.799987792969 599.799987792969 42.6505829099392 42.6505829099392 42.6505829099392 1 1 0 3097 Inf -1 0.5
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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8149 M600T2605 M599.9T43.4 599.900024414062 599.900024414062 599.900024414062 43.4106412919152 43.3311778044834 43.4901047793471 2 1 1 5240 2.92442802298341 -0.784160705393036 0.544781690982514
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
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8150 M600T2778 M599.9T46.3 599.900024414062 599.900024414062 599.900024414062 46.2937117304691 46.2937117304691 46.2937117304691 1 0 1 [M+Cl]- 564.928 4269 Inf 1 0.5
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8151 M600T3440 M600T57.3 600 600 600 57.3369163968925 57.3369163968925 57.3369163968925 1 1 0 2940 Inf -1 0.5
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8152 M600T3074 M600T51.2 600 600 600 51.2322779954189 51.2322779954189 51.2322779954189 1 0 1 2446 1.36873373980727 0.217526620333269 0.849603759563344
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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8153 M600T2840 M600T47.3 600 600 600 47.3390372548507 47.3390372548507 47.3390372548507 1 0 1 4643 Inf 1 0.5
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lecorguille
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8154 M600T3456 M600T57.6 600 600 600 57.592710737334 57.592710737334 57.592710737334 1 1 0 1301 3.43822018687183 -0.680935393339883 0.605619546160086
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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8155 M600T3351 M600T55.8 600 600 600 55.8476159036111 55.8476159036111 55.8476159036111 1 1 0 688 Inf -1 0.5
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lecorguille
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8156 M600T2539 M600T42.3 600 600 600 42.3115162432725 42.3115162432725 42.3115162432725 1 1 0 5560 2.67669683359966 -0.586792116233081 0.644186443362018
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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8157 M600T3208 M600T53.5 600 600 600 53.47251935441 53.47251935441 53.47251935441 1 1 0 4342 4.3596289819114 -0.990898619184961 0.481024727063404
1c30ff90f3ae planemo upload commit 301d42e88026afdac618f4ec56fc6cbe19e3e419
lecorguille
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8158 M600T2969 M600T49.5 600 600 600 49.4912576707445 49.4912576707445 49.4912576707445 1 1 0 72 1.72326301741792 -0.363011971451661 0.758693604731551