Mercurial > repos > lecorguille > camera_annotate
view test-data/faahKO.xset.group.retcor.group.fillPeaks.annotate.rules.variableMetadata.tsv @ 22:01bbba6d57ff draft
"planemo upload commit e363c270e2f9d72cb0ede1a7f3bc61418b72c4c4"
| author | workflow4metabolomics |
|---|---|
| date | Mon, 30 Mar 2020 09:27:57 -0400 |
| parents | 1c30ff90f3ae |
| children | abf1775ac14d |
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name namecustom mz mzmin mzmax rt rtmin rtmax npeaks KO WT isotopes adduct pcgroup fold tstat pvalue M200T2874 M200.1T47.9 200.100006103516 200.100006103516 200.100006103516 47.8944650465364 47.8944650465364 47.8944650465364 1 1 0 4758 4.65085295060662 -1.06493655910147 0.479605513245819 M200T3877 M200.2T64.6 200.199996948242 200.199996948242 200.199996948242 64.612093192559 64.612093192559 64.612093192559 1 1 0 2728 9.88436970273782 -2.25887629759232 0.240554009337641 M200T3676 M200.2T61.3 200.199996948242 200.199996948242 200.199996948242 61.2701429122315 61.2701429122315 61.2701429122315 1 0 1 3702 Inf 4.64698353395969 0.13493854409364 M200T3486 M200.2T58.1 200.199996948242 200.199996948242 200.199996948242 58.0952197061014 58.0952197061014 58.0952197061014 1 1 0 1771 Inf -1 0.5 M200T3529 M200.2T58.8 200.199996948242 200.199996948242 200.199996948242 58.8194456415545 58.8194456415545 58.8194456415545 1 0 1 370 Inf 1 0.5 M200T3184 M200.2T53.1 200.199996948242 200.199996948242 200.199996948242 53.0741227792108 53.0741227792108 53.0741227792108 1 1 0 40 Inf -1 0.5 M200T3817 M200.3T63.6 200.300003051758 200.300003051758 200.300003051758 63.6095503993271 63.6095503993271 63.6095503993271 1 0 1 2375 Inf 1 0.5 M200T3978 M200.3T66.3 200.300003051758 200.300003051758 200.300003051758 66.2933347129474 66.2933347129474 66.2933347129474 1 0 1 1981 Inf 1 0.5 M201T3544 M200.8T59.1 200.800003051758 200.800003051758 200.800003051758 59.0600521059129 59.0600521059129 59.0600521059129 1 1 0 2331 Inf -1 0.5 M201T4063 M200.8T67.7 200.800003051758 200.800003051758 200.800003051758 67.7094807306269 67.7094807306269 67.7094807306269 1 0 1 213 Inf 1.37734161966442 0.399789013602801 M201T3783 M200.8T63.1 200.800003051758 200.800003051758 200.800003051758 63.0552323830999 63.0552323830999 63.0552323830999 1 0 1 3662 Inf 1 0.5 M201T3274 M200.9T54.6 200.900009155273 200.900009155273 200.900009155273 54.565562819362 54.565562819362 54.565562819362 1 0 1 5027 4.70644940219791 2.59368058676224 0.122082365514126 M201T2556 M200.9T42.6 200.900009155273 200.900009155273 200.900009155273 42.5984162432725 42.5984162432725 42.5984162432725 1 1 0 3065 Inf -1 0.5 M201T3626 M200.9T60.4 200.900009155273 200.900009155273 200.900009155273 60.4324998003135 60.4324998003135 60.4324998003135 1 0 1 1600 3.34419119144363 1.11702356726728 0.408252476299869 M201T3138 M201.1T52.3 201.100006103516 201.100006103516 201.100006103516 52.3059069442773 52.3059069442773 52.3059069442773 1 1 0 67 3.24641816551149 -0.824914731473309 0.555087522533288 M201T3509 M201.2T58.5 201.199996948242 201.199996948242 201.199996948242 58.489427289443 58.489427289443 58.489427289443 1 1 0 4513 Inf -1.43344416094946 0.387782408900977 M201T4066 M201.2T67.8 201.199996948242 201.199996948242 201.199996948242 67.7620137906804 67.7620137906804 67.7620137906804 1 0 1 3859 3.13885706983073 0.938510278186573 0.508748560086896 M201T3687 M201.2T61.5 201.199996948242 201.199996948242 201.199996948242 61.4531553385096 61.4531553385096 61.4531553385096 1 0 1 573 Inf 1 0.5 M201T3998 M201.2T66.6 201.199996948242 201.199996948242 201.199996948242 66.6322657418973 66.6322657418973 66.6322657418973 1 0 1 6148 Inf 1 0.5 M201T3799 M201.2T63.3 201.199996948242 201.199996948242 201.199996948242 63.3109132648164 63.3109132648164 63.3109132648164 1 0 1 2829 Inf 1.48072712698114 0.378143149183639 M201T3936 M201.3T65.6 201.300003051758 201.300003051758 201.300003051758 65.6072513111386 65.6072513111386 65.6072513111386 1 0 1 4130 Inf 1 0.5 M201T4037 M201.3T67.3 201.300003051758 201.300003051758 201.300003051758 67.2818438258993 67.2818438258993 67.2818438258993 1 0 1 3747 Inf 1 0.5 M201T4155 M201.3T69.3 201.300003051758 201.300003051758 201.300003051758 69.2512124838132 69.2512124838132 69.2512124838132 1 1 0 306 Inf -1 0.5 M201T3883 M201.3T64.7 201.300003051758 201.300003051758 201.300003051758 64.7098459836957 64.7098459836957 64.7098459836957 1 1 0 2221 2.04791935898759 -0.459809553421658 0.705094466870333 M202T3855 M201.7T64.2 201.699996948242 201.699996948242 201.699996948242 64.2440154526799 64.2440154526799 64.2440154526799 1 1 0 1344 Inf -1 0.5 M202T4020 M201.7T67 201.699996948242 201.699996948242 201.699996948242 67.000147311071 67.000147311071 67.000147311071 1 0 1 5565 Inf 1 0.5 M202T3301 M201.8T55 201.800003051758 201.800003051758 201.800003051758 55.0086965617651 55.0086965617651 55.0086965617651 1 1 0 167 13.5888040248194 -0.92391166847019 0.523834925787676 M202T4069 M201.8T67.8 201.800003051758 201.800003051758 201.800003051758 67.814545573438 67.814545573438 67.814545573438 1 0 1 3855 1.46317572696137 0.26134843148585 0.82108177639863 M202T3280 M201.8T54.7 201.800003051758 201.800003051758 201.800003051758 54.6696366419523 54.6696366419523 54.6696366419523 1 1 0 1230 Inf -1 0.5 M202T3321 M201.8T55.4 201.800003051758 201.800003051758 201.800003051758 55.3505595148053 55.3505595148053 55.3505595148053 1 1 0 1132 1.25259058097557 -0.185992042105706 0.876608140813492 M202T3171 M201.8T52.8 201.800003051758 201.800003051758 201.800003051758 52.8461856331342 52.8461856331342 52.8461856331342 1 1 0 763 Inf -1 0.5 M202T3763 M201.8T62.7 201.800003051758 201.800003051758 201.800003051758 62.7118680963244 62.7118680963244 62.7118680963244 1 0 1 961 Inf 1 0.5 M202T3377 M201.8T56.3 201.800003051758 201.800003051758 201.800003051758 56.2858378510571 56.2858378510571 56.2858378510571 1 1 0 1546 Inf -1 0.5 M202T3269 M201.9T54.5 201.900009155273 201.900009155273 201.900009155273 54.4789594636791 54.4789594636791 54.4789594636791 1 1 0 174 1.53676472088363 -0.358025207792609 0.766129884635396 M202T4141 M201.9T69 201.900009155273 201.900009155273 201.900009155273 69.0143366635432 69.0143366635432 69.0143366635432 1 0 1 4203 Inf 1 0.5 M202T4033 M201.9T67.2 201.900009155273 201.900009155273 201.900009155273 67.2129508923125 67.2129508923125 67.2129508923125 1 1 0 3746 Inf -1 0.5 M202T3895 M201.9T64.9 201.900009155273 201.900009155273 201.900009155273 64.9180137260762 64.9180137260762 64.9180137260762 1 1 0 4896 2.84133481906798 0.636484929754717 0.633176678956428 M202T4009 M201.9T66.8 201.900009155273 201.900009155273 201.900009155273 66.8205274164213 66.8205274164213 66.8205274164213 1 1 0 156 2.24382694320368 -2.73087599684927 0.137483064002696 M202T3186 M201.9T53.1 201.900009155273 201.900009155273 201.900009155273 53.099351150571 53.099351150571 53.099351150571 1 1 0 2171 3.62084240983456 -1.55407536847793 0.363343995270055 M202T2900 M202T48.3 202 202 202 48.325362160335 48.325362160335 48.325362160335 1 1 0 134 1.73152422522956 -0.537204796867237 0.665257423543135 M202T3943 M202T65.7 202 202 202 65.7123885813693 65.7123885813693 65.7123885813693 1 0 1 4131 Inf 1.1980495978909 0.442793490643806 M202T3292 M202.2T54.9 202.199996948242 202.199996948242 202.199996948242 54.8699801087332 54.8699801087332 54.8699801087332 1 0 1 5759 Inf 1 0.5 M203T4038 M202.6T67.3 202.600006103516 202.600006103516 202.600006103516 67.3077590567051 67.3077590567051 67.3077590567051 1 0 1 3748 Inf 1 0.5 M203T3317 M202.8T55.3 202.800003051758 202.800003051758 202.800003051758 55.281978863019 55.281978863019 55.281978863019 1 0 1 507 Inf 1 0.5 M203T3306 M202.9T55.1 202.900009155273 202.900009155273 202.900009155273 55.0920628287355 55.0920628287355 55.0920628287355 1 1 0 508 1.03778074236681 -0.032154685344475 0.977776058856616 M203T3979 M203.1T66.3 203.100006103516 203.100006103516 203.100006103516 66.3168913366957 66.3168913366957 66.3168913366957 1 0 1 1993 9.71961583971001 6.52827967863367 0.0235124247191347 M203T4141 M203.2T69 203.199996948242 203.199996948242 203.199996948242 69.0162711786498 69.0162711786498 69.0162711786498 1 1 0 4204 1.2499976998744 -0.174809586600477 0.881153001596062 M203T3348 M203.2T55.8 203.199996948242 203.199996948242 203.199996948242 55.8000841802825 55.8000841802825 55.8000841802825 1 1 0 711 Inf -1 0.5 M203T3327 M203.2T55.5 203.199996948242 203.199996948242 203.199996948242 55.4555890568 55.4555890568 55.4555890568 1 1 0 1087 Inf -1 0.5 M203T2679 M203.2T44.7 203.199996948242 203.199996948242 203.199996948242 44.6537981733315 44.6537981733315 44.6537981733315 1 0 1 634 Inf 1 0.5 M203T4179 M203.2T69.6 203.199996948242 203.199996948242 203.199996948242 69.642584100626 69.642584100626 69.642584100626 1 1 0 4368 1.415320914057 -0.335656021811829 0.771687910901774 M203T3790 M203.2T63.2 203.199996948242 203.199996948242 203.199996948242 63.1687094970261 63.1687094970261 63.1687094970261 1 1 0 4447 2.29932093157436 -0.558265157254593 0.672304378739983 M203T3722 M203.2T62 203.199996948242 203.199996948242 203.199996948242 62.0371588300029 62.0371588300029 62.0371588300029 1 0 1 3436 5.23068451146893 0.794432612788945 0.565155849056796 M203T4057 M203.3T67.6 203.300003051758 203.300003051758 203.300003051758 67.6184589071964 67.6184589071964 67.6184589071964 1 0 1 3412 Inf 3.31575077420165 0.186475877877931 M204T3523 M203.7T58.7 203.699996948242 203.699996948242 203.699996948242 58.7150650367137 58.7150650367137 58.7150650367137 1 0 1 371 8.73218486430434 0.87973126386575 0.537629734229058 M204T3061 M203.8T51 203.800003051758 203.800003051758 203.800003051758 51.010431131708 51.010431131708 51.010431131708 1 1 0 5409 Inf -1 0.5 M204T4128 M203.8T68.8 203.800003051758 203.800003051758 203.800003051758 68.8075175566691 68.8075175566691 68.8075175566691 1 0 1 1467 Inf 1 0.5 M204T3665 M203.8T61.1 203.800003051758 203.800003051758 203.800003051758 61.0864191647488 61.0864191647488 61.0864191647488 1 1 0 2 7.48272760158893 -0.858724443986089 0.544263989641279 M204T4023 M203.8T67 203.800003051758 203.800003051758 203.800003051758 67.0448757401012 67.0448757401012 67.0448757401012 1 1 0 5566 23.4654904639264 -6.93353499393902 0.0640823253919369 M204T4142 M204.1T69 204.100006103516 204.100006103516 204.100006103516 69.0401974996345 69.0401974996345 69.0401974996345 1 0 1 4205 Inf 1 0.5 M204T3843 M204.1T64.1 204.100006103516 204.100006103516 204.100006103516 64.0566768308978 64.0566768308978 64.0566768308978 1 0 1 1340 7.88017323323348 6.84366377329211 0.0889973897429159 M204T3397 M204.2T56.6 204.199996948242 204.199996948242 204.199996948242 56.6188161948654 56.6188161948654 56.6188161948654 1 0 1 462 2.02165803029348 0.95811911482028 0.440173452979033 M204T2627 M204.2T43.8 204.199996948242 204.199996948242 204.199996948242 43.790244246256 43.790244246256 43.790244246256 1 0 1 2635 Inf 1 0.5 M204T4075 M204.3T67.9 204.300003051758 204.300003051758 204.300003051758 67.9190323704023 67.9190323704023 67.9190323704023 1 1 0 3860 Inf -1 0.5 M204T3703 M204.4T61.7 204.400009155273 204.400009155273 204.400009155273 61.7240014555134 61.7240014555134 61.7240014555134 1 0 1 1155 Inf 1 0.5 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 M205T3574 M204.8T59.6 204.800003051758 204.800003051758 204.800003051758 59.5631764964595 59.5631764964595 59.5631764964595 1 0 1 1632 1.4442322975046 0.252886563844664 0.826520681809837 M205T2586 M204.9T43.1 204.900009155273 204.900009155273 204.900009155273 43.0964278044834 43.0964278044834 43.0964278044834 1 0 1 2881 Inf 1.66292572942941 0.344673192712893 M205T2787 M205T46.5 205 205 205 46.4530549803699 46.4420455259627 46.471059762108 4 2 2 [1][M]- [M-H-C2H4O2]- 266.03 12 1.0223702236974 0.157452084347424 0.896788425078068 M205T4040 M205.1T67.3 205.100006103516 205.100006103516 205.100006103516 67.3353039218979 67.3353039218979 67.3353039218979 1 1 0 5301 Inf -1 0.5 M205T3782 M205.2T63 205.199996948242 205.199996948242 205.199996948242 63.0345220817521 62.9873925100067 63.0816516534975 2 1 1 88 1.86478873239429 0.408691193604645 0.732645389900879 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 M205T3761 M205.2T62.7 205.199996948242 205.199996948242 205.199996948242 62.6854687573647 62.6854687573647 62.6854687573647 1 0 1 962 Inf 1 0.5 M205T4064 M205.3T67.7 205.300003051758 205.300003051758 205.300003051758 67.7357474354811 67.7357474354811 67.7357474354811 1 0 1 5794 Inf 1 0.5 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 M206T3292 M205.8T54.9 205.800003051758 205.800003051758 205.800003051758 54.8699801087332 54.8699801087332 54.8699801087332 1 0 1 5759 Inf 1 0.5 M206T3088 M205.8T51.5 205.800003051758 205.800003051758 205.800003051758 51.4668115133323 51.4668115133323 51.4668115133323 1 0 1 240 Inf 1 0.5 M206T3350 M205.8T55.8 205.800003051758 205.800003051758 205.800003051758 55.8306908977428 55.8306908977428 55.8306908977428 1 0 1 712 2.83424319152252 0.610298757695971 0.634062659833529 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 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 M206T2786 M206T46.4 206 206 206 46.4310371801766 46.4226044213745 46.4670382320035 3 1 2 [1][M+1]- 12 1.00397427342738 -0.0276152895704231 0.982235073188668 M206T3444 M206T57.4 206 206 206 57.3958000162103 57.3958000162103 57.3958000162103 1 0 1 2917 1.04241136928022 0.0799085845411304 0.947652824105108 M206T3696 M206.2T61.6 206.199996948242 206.199996948242 206.199996948242 61.5931237225614 61.5931237225614 61.5931237225614 1 0 1 574 2.59200291743637 0.573030835257941 0.650274697359007 M206T4049 M206.2T67.5 206.199996948242 206.199996948242 206.199996948242 67.4890654787083 67.4890654787083 67.4890654787083 1 0 1 3413 2.88323023029242 0.617103812315955 0.631195563458578 M206T2541 M206.2T42.4 206.199996948242 206.199996948242 206.199996948242 42.3542014146668 42.3542014146668 42.3542014146668 1 0 1 5545 Inf 1 0.5 M206T3670 M206.2T61.2 206.199996948242 206.199996948242 206.199996948242 61.1730685200639 61.1730685200639 61.1730685200639 1 0 1 438 3.74088881784459 1.12509597440392 0.418165102767509 M206T3238 M206.2T54 206.199996948242 206.199996948242 206.199996948242 53.9726666838964 53.9726666838964 53.9726666838964 1 1 0 2704 3.10420348065755 -0.645203853190995 0.61964985805708 M206T3763 M206.2T62.7 206.199996948242 206.199996948242 206.199996948242 62.7130339881799 62.7130339881799 62.7130339881799 1 0 1 13 2.29687950341419 0.564192666175311 0.672752352086679 M206T3428 M206.2T57.1 206.199996948242 206.199996948242 206.199996948242 57.1350818467179 57.1350818467179 57.1350818467179 1 0 1 5252 Inf 1 0.5 M206T3186 M206.2T53.1 206.199996948242 206.199996948242 206.199996948242 53.106902764706 53.106902764706 53.106902764706 1 1 0 2177 Inf 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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 M302T2619 M302T43.7 302 302 302 43.6524697636736 43.6441611378167 43.6677995766058 4 2 2 53 1.10295561752882 -0.922935500312005 0.522323588198503 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 M302T3149 M302T52.5 302 302 302 52.4788532421081 52.4788532421081 52.4788532421081 1 0 1 3057 1.26855053556878 -0.205148653588062 0.868150091792227 M302T4156 M302T69.3 302 302 302 69.2595732108891 69.2595732108891 69.2595732108891 1 0 1 6208 1.25226738034472 0.157416013326111 0.889995872826228 M302T3822 M302T63.7 302 302 302 63.7024252644404 63.7024252644404 63.7024252644404 1 0 1 1877 13.5358991036732 0.923605336541029 0.523930212444727 M302T3911 M302T65.2 302 302 302 65.1774834379741 65.1774834379741 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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 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 M382T3517 M382T58.6 382 382 382 58.6093617735738 58.6093617735738 58.6093617735738 1 1 0 397 3.09597412646288 -1.04626397044663 0.427896663213531 M382T3313 M382T55.2 382 382 382 55.2217695481591 55.2217695481591 55.2217695481591 1 0 1 531 5.07533770235492 0.787822235432972 0.567370340961166 M382T3628 M382T60.5 382 382 382 60.4706701712737 60.4706701712737 60.4706701712737 1 0 1 1612 Inf 1 0.5 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 M382T3644 M382T60.7 382 382 382 60.7256363111377 60.7256363111377 60.7256363111377 1 1 0 1535 5.60449488173204 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382.200012207031 63.1080703628007 63.0920580157722 63.1687094970261 3 2 1 4446 7.56661211127813 -9.28729448777226 0.0505768795475052 M382T2736 M382.2T45.6 382.200012207031 382.200012207031 382.200012207031 45.5942420663962 45.5942420663962 45.5942420663962 1 1 0 2483 Inf -1 0.5 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 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 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 M382T3796 M382.3T63.3 382.300018310547 382.300018310547 382.300018310547 63.2588360066774 63.2588360066774 63.2588360066774 1 0 1 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45.5288689149464 1 1 0 2484 8.19630493490039 -4.07935147499613 0.0672625276179524 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 M383T4102 M383.3T68.4 383.300018310547 383.300018310547 383.300018310547 68.3601872172842 68.3601872172842 68.3601872172842 1 1 0 216 Inf -1 0.5 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 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 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 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 M384T2948 M383.9T49.1 383.899993896484 383.899993896484 383.899993896484 49.1376764837018 49.1376764837018 49.1376764837018 1 0 1 3186 Inf 1 0.5 M384T2699 M383.9T45 383.899993896484 383.899993896484 383.899993896484 44.9779101077089 44.9779101077089 44.9779101077089 1 0 1 5070 Inf 1 0.5 M384T3308 M384T55.1 384 384 384 55.1403209090725 55.1403209090725 55.1403209090725 1 1 0 532 Inf -1 0.5 M384T2916 M384T48.6 384 384 384 48.5994804250865 48.5994804250865 48.5994804250865 1 1 0 2768 10.732830232314 -1.15128818710363 0.451191056310151 M384T4149 M384T69.1 384 384 384 69.1473472982977 69.1473472982977 69.1473472982977 1 1 0 6179 Inf -1 0.5 M384T4270 M384T71.2 384 384 384 71.1626624072004 71.1626624072004 71.1626624072004 1 0 1 332 Inf 1 0.5 M384T3135 M384T52.2 384 384 384 52.2467312242011 52.2467312242011 52.2467312242011 1 1 0 144 1.24126199428764 -0.151359450091395 0.894134263681247 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 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 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 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 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 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 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 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 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 M384T4083 M384.3T68.1 384.300018310547 384.300018310547 384.300018310547 68.0509125128589 68.0509125128589 68.0509125128589 1 0 1 5723 Inf 1 0.5 M384T2608 M384.3T43.5 384.300018310547 384.300018310547 384.300018310547 43.4615778044834 43.4615778044834 43.4615778044834 1 0 1 4012 Inf 1 0.5 M384T3349 M384.4T55.8 384.399993896484 384.399993896484 384.399993896484 55.8216030760909 55.8216030760909 55.8216030760909 1 1 0 688 Inf -1 0.5 M385T2623 M385T43.7 385 385 385 43.711089276949 43.711089276949 43.711089276949 1 0 1 2612 5.39099838059867 0.800844328283322 0.5630214842862 M385T4200 M385T70 385 385 385 69.9962244755141 69.9962244755141 69.9962244755141 1 0 1 198 2.62413497772057 1.30232000225733 0.331487535406735 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 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 M385T3466 M385.1T57.8 385.100006103516 385.100006103516 385.100006103516 57.7600924594815 57.7600924594815 57.7600924594815 1 0 1 4029 1.83438284848911 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397.300018310547 397.300018310547 47.9815888070373 47.9815888070373 47.9815888070373 1 0 1 4732 Inf 1 0.5 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 M397T3997 M397.4T66.6 397.399993896484 397.399993896484 397.399993896484 66.6217496555421 66.6217496555421 66.6217496555421 1 1 0 5441 Inf -1 0.5 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 M398T3889 M398T64.8 398 398 398 64.8187716917835 64.8187716917835 64.8187716917835 1 0 1 2239 1.99081391752713 0.444738864338033 0.713037476857564 M398T2537 M398T42.3 398 398 398 42.2759514146668 42.2759514146668 42.2759514146668 1 0 1 5779 1.16095749423155 -0.157147135516661 0.893811286481207 M398T4139 M398T69 398 398 398 68.9899337519259 68.9899337519259 68.9899337519259 1 1 0 4226 Inf 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399 399 399 54.7925197533959 54.7925197533959 54.7925197533959 1 0 1 2111 Inf 1 0.5 M399T3939 M399T65.6 399 399 399 65.644323225657 65.644323225657 65.644323225657 1 1 0 4127 Inf -1.50951922366074 0.372477591230611 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 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 M399T4149 M399.2T69.1 399.200012207031 399.200012207031 399.200012207031 69.1468068575433 69.1468068575433 69.1468068575433 1 1 0 6181 Inf -1 0.5 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 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 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 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 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 M399T3748 M399.3T62.5 399.300018310547 399.300018310547 399.300018310547 62.4656347411346 62.4656347411346 62.4656347411346 1 1 0 1052 Inf -1 0.5 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 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3.4413348741727 0.681236229954648 0.605504365305692 M400T2521 M399.9T42 399.899993896484 399.899993896484 399.899993896484 42.0245995766058 42.0245995766058 42.0245995766058 1 1 0 5051 Inf -1 0.5 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 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 M400T4246 M400T70.8 400 400 400 70.7714290738671 70.7714290738671 70.7714290738671 1 0 1 326 Inf 2.46627565982419 0.245234025325714 M400T3555 M400T59.3 400 400 400 59.2530825495194 59.2530825495194 59.2530825495194 1 1 0 186 3.02563774805626 -1.59606560015207 0.258597384920376 M400T3795 M400T63.2 400 400 400 63.2491480229281 63.2491480229281 63.2491480229281 1 1 0 5405 Inf -1 0.5 M400T2780 M400.1T46.3 400.100006103516 400.100006103516 400.100006103516 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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 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 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 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 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 M493T3660 M493.2T61 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42.3661111378167 42.3661111378167 1 0 1 5549 Inf 1 0.5 M494T4055 M493.5T67.6 493.5 493.5 493.5 67.57911300379 67.57911300379 67.57911300379 1 1 0 3432 Inf -1 0.5 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 M494T2718 M493.6T45.3 493.600006103516 493.600006103516 493.600006103516 45.3074811943587 45.3074811943587 45.3074811943587 1 0 1 2510 Inf 1 0.5 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 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 M494T2897 M494T48.3 494 494 494 48.2821076280088 48.2821076280088 48.2821076280088 1 0 1 3837 1.19147358425488 0.147251738521576 0.901626435551701 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 M494T3329 M494T55.5 494 494 494 55.4850204808216 55.4850204808216 55.4850204808216 1 0 1 1086 Inf 1 0.5 M494T2950 M494T49.2 494 494 494 49.1638110899715 49.1638110899715 49.1638110899715 1 0 1 3174 1.85181466087084 -0.40474510504837 0.734843327950394 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 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 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 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 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 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 M494T4466 M494.2T74.4 494.200012207031 494.200012207031 494.200012207031 74.4341191816509 74.4341191816509 74.4341191816509 1 0 1 6238 Inf 1 0.5 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 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 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 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 M494T4303 M494.3T71.7 494.300018310547 494.300018310547 494.300018310547 71.7215358483176 71.7215358483176 71.7215358483176 1 0 1 6192 Inf 1 0.5 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 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 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 M494T4474 M494.5T74.6 494.5 494.5 494.5 74.5645358483176 74.5645358483176 74.5645358483176 1 0 1 6100 Inf 1 0.5 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 M495T2589 M494.7T43.2 494.700012207031 494.700012207031 494.700012207031 43.1510381126804 43.1510381126804 43.1510381126804 1 1 0 2901 Inf -1 0.5 M495T4215 M494.7T70.3 494.700012207031 494.700012207031 494.700012207031 70.2524704926843 70.2524704926843 70.2524704926843 1 0 1 5332 Inf 1 0.5 M495T2530 M494.8T42.2 494.800018310547 494.800018310547 494.800018310547 42.1716180813334 42.1716180813334 42.1716180813334 1 0 1 5612 Inf 1 0.5 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 M495T3465 M495T57.8 495 495 495 57.7519773435038 57.7519773435038 57.7519773435038 1 1 0 1283 Inf -1 0.5 M495T3357 M495T56 495 495 495 55.9513227205548 55.9513227205548 55.9513227205548 1 1 0 689 Inf -1 0.5 M495T3514 M495T58.6 495 495 495 58.568217652388 58.568217652388 58.568217652388 1 1 0 417 Inf -1 0.5 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 M495T3789 M495.1T63.1 495.100006103516 495.100006103516 495.100006103516 63.1419887294178 63.1419887294178 63.1419887294178 1 1 0 4457 Inf -1 0.5 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 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 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 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 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 M495T3416 M495.3T56.9 495.300018310547 495.300018310547 495.300018310547 56.9277498648291 56.9277498648291 56.9277498648291 1 0 1 883 Inf 1 0.5 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 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495.399993896484 495.399993896484 495.399993896484 66.8424824597417 66.8424824597417 66.8424824597417 1 0 1 5231 Inf 1 0.5 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 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 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 M496T2852 M496T47.5 496 496 496 47.5251479685 47.5251479685 47.5251479685 1 0 1 6072 1.47729391578247 0.323086162445484 0.801056127041555 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 M496T4069 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63.903380773541 63.903380773541 1 1 0 3346 1.27614528527841 -0.178293793211332 0.875318021422562 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 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 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 M579T2700 M578.7T45 578.700012207031 578.700012207031 578.700012207031 45.004203542541 45.004203542541 45.004203542541 1 0 1 136 Inf 1 0.5 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 M579T2689 M578.8T44.8 578.799987792969 578.799987792969 578.799987792969 44.8156498104774 44.8156498104774 44.8156498104774 1 0 1 680 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2.2071114768129 0.811380856519577 0.522940068824383 M579T2526 M579T42.1 579 579 579 42.1028495766058 42.1028495766058 42.1028495766058 1 1 0 5963 1.01189689358889 0.0098283017315837 0.993153917392413 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 M579T4269 M579.2T71.1 579.200012207031 579.200012207031 579.200012207031 71.1477191816509 71.1477191816509 71.1477191816509 1 0 1 6241 Inf 1 0.5 M579T2784 M579.2T46.4 579.200012207031 579.200012207031 579.200012207031 46.3924307296657 46.3924307296657 46.3924307296657 1 0 1 930 Inf 1 0.5 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 M579T3816 M579.3T63.6 579.299987792969 579.299987792969 579.299987792969 63.6026052962216 63.5166230732481 63.6885875191952 2 1 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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 M580T3340 M580.1T55.7 580.100036621094 580.100036621094 580.100036621094 55.6709307995349 55.6709307995349 55.6709307995349 1 0 1 5514 Inf 1 0.5 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 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 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 M580T3364 M580.2T56.1 580.200012207031 580.200012207031 580.200012207031 56.0700034534047 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