Mercurial > repos > recetox > matchms
comparison test-data/similarity/fill.mgf @ 4:ba5e9bd05d5b draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5661cf2406e0616d7b2f4bee1b57ec43716088de
| author | recetox |
|---|---|
| date | Tue, 18 Oct 2022 11:00:55 +0000 |
| parents | 30e680e555d4 |
| children |
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| 3:9f8532c99845 | 4:ba5e9bd05d5b |
|---|---|
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| 823 113.9639 884114874.0 | |
| 824 117.9597 13415776.0 | |
| 825 130.9667 51395622.0 | |
| 826 141.9589 178232538.0 | |
| 827 158.9616 128816272.0 | |
| 828 299.9124 1880980.0 | |
| 829 END IONS | |
| 830 | |
| 831 BEGIN IONS | |
| 832 NAME=C039 | |
| 833 IONMODE=Negative | |
| 834 RETENTIONTIME=568.17 | |
| 835 RETENTIONINDEX= | |
| 836 SPECTRUMTYPE=Centroid | |
| 837 NUM PEAKS=7 | |
| 838 109.0936 3367194.0 | |
| 839 313.2743 49761422.0 | |
| 840 314.2779 10250020.0 | |
| 841 331.284 25330864.0 | |
| 842 332.288 5165351.0 | |
| 843 353.2668 14412912.0 | |
| 844 378.7574 2750830.0 | |
| 845 END IONS | |
| 846 | |
| 847 BEGIN IONS | |
| 848 NAME=C040 | |
| 849 IONMODE=Negative | |
| 850 RETENTIONTIME=387.74 | |
| 851 RETENTIONINDEX= | |
| 852 SPECTRUMTYPE=Centroid | |
| 853 NUM PEAKS=7 | |
| 854 163.086 4875483.0 | |
| 855 181.0835 84943549.0 | |
| 856 211.1705 9133246.0 | |
| 857 223.1099 46655050.0 | |
| 858 224.1132 5667427.0 | |
| 859 448.3062 12015194.0 | |
| 860 626.3529 4834637.0 | |
| 861 END IONS | |
| 862 | |
| 863 BEGIN IONS | |
| 864 NAME=C041 | |
| 865 IONMODE=Negative | |
| 866 RETENTIONTIME=453.17 | |
| 867 RETENTIONINDEX= | |
| 868 SPECTRUMTYPE=Centroid | |
| 869 NUM PEAKS=7 | |
| 870 493.3513 4170416.0 | |
| 871 526.294 130284635.0 | |
| 872 527.2969 38181651.0 | |
| 873 538.2924 3722053.0 | |
| 874 568.34 320070712.0 | |
| 875 569.3431 103890431.0 | |
| 876 590.322 5188496.0 | |
| 877 END IONS | |
| 878 | |
| 879 BEGIN IONS | |
| 880 NAME=C042 | |
| 881 IONMODE=Negative | |
| 882 RETENTIONTIME=494.9 | |
| 883 RETENTIONINDEX= | |
| 884 SPECTRUMTYPE=Centroid | |
| 885 NUM PEAKS=7 | |
| 886 281.652 16902444.0 | |
| 887 421.2329 9340554.0 | |
| 888 464.314 19745728.0 | |
| 889 465.3171 4874193.0 | |
| 890 506.3605 33858286.0 | |
| 891 507.3635 10018492.0 | |
| 892 548.3718 57710648.0 | |
| 893 END IONS | |
| 894 | |
| 895 BEGIN IONS | |
| 896 NAME=C043 | |
| 897 IONMODE=Negative | |
| 898 RETENTIONTIME=496.93 | |
| 899 RETENTIONINDEX= | |
| 900 SPECTRUMTYPE=Centroid | |
| 901 NUM PEAKS=7 | |
| 902 91.0544 7737151.0 | |
| 903 121.0291 104312995.0 | |
| 904 149.0237 1046269875.0 | |
| 905 303.1553 88839098.0 | |
| 906 327.2198 14111373.0 | |
| 907 371.2241 2045984.0 | |
| 908 583.4371 5272741.0 | |
| 909 END IONS | |
| 910 | |
| 911 BEGIN IONS | |
| 912 NAME=C044 | |
| 913 IONMODE=Negative | |
| 914 RETENTIONTIME=439.39 | |
| 915 RETENTIONINDEX= | |
| 916 SPECTRUMTYPE=Centroid | |
| 917 NUM PEAKS=7 | |
| 918 415.212 83379727.0 | |
| 919 416.2152 22144229.0 | |
| 920 432.2384 4602293.0 | |
| 921 437.1949 23384573.0 | |
| 922 438.1974 6181203.0 | |
| 923 453.1967 6996965.0 | |
| 924 514.3191 7670834.0 | |
| 925 END IONS | |
| 926 | |
| 927 BEGIN IONS | |
| 928 NAME=C045 | |
| 929 IONMODE=Negative | |
| 930 RETENTIONTIME=38.72 | |
| 931 RETENTIONINDEX= | |
| 932 SPECTRUMTYPE=Centroid | |
| 933 NUM PEAKS=6 | |
| 934 85.0374 922414.0 | |
| 935 204.1232 104594587.0 | |
| 936 220.0361 3822478.0 | |
| 937 424.7473 5143002.0 | |
| 938 482.7147 3819577.0 | |
| 939 526.6926 3098115.0 | |
| 940 END IONS | |
| 941 | |
| 942 BEGIN IONS | |
| 943 NAME=C046 | |
| 944 IONMODE=Negative | |
| 945 RETENTIONTIME=522.9 | |
| 946 RETENTIONINDEX= | |
| 947 SPECTRUMTYPE=Centroid | |
| 948 NUM PEAKS=6 | |
| 949 680.4293 23371624.0 | |
| 950 681.433 10790523.0 | |
| 951 693.4366 6450701.0 | |
| 952 694.4422 2967375.0 | |
| 953 942.6132 7409370.0 | |
| 954 1204.2998 12180905.0 | |
| 955 END IONS | |
| 956 | |
| 957 BEGIN IONS | |
| 958 NAME=C047 | |
| 959 IONMODE=Negative | |
| 960 RETENTIONTIME=568.96 | |
| 961 RETENTIONINDEX= | |
| 962 SPECTRUMTYPE=Centroid | |
| 963 NUM PEAKS=6 | |
| 964 522.8873 4794972.0 | |
| 965 523.885 65066801.0 | |
| 966 524.8874 7166738.0 | |
| 967 688.5201 14341797.0 | |
| 968 689.5235 6478555.0 | |
| 969 715.4799 3672190.0 | |
| 970 END IONS | |
| 971 | |
| 972 BEGIN IONS | |
| 973 NAME=C048 | |
| 974 IONMODE=Negative | |
| 975 RETENTIONTIME=570.42 | |
| 976 RETENTIONINDEX= | |
| 977 SPECTRUMTYPE=Centroid | |
| 978 NUM PEAKS=6 | |
| 979 596.8946 15091259.0 | |
| 980 597.9015 7000919.0 | |
| 981 598.909 2264745.0 | |
| 982 609.9019 3635412.0 | |
| 983 762.0311 5271486.0 | |
| 984 775.5467 2217744.0 | |
| 985 END IONS | |
| 986 | |
| 987 BEGIN IONS | |
| 988 NAME=C049 | |
| 989 IONMODE=Negative | |
| 990 RETENTIONTIME=548.99 | |
| 991 RETENTIONINDEX= | |
| 992 SPECTRUMTYPE=Centroid | |
| 993 NUM PEAKS=6 | |
| 994 637.3061 40025984.0 | |
| 995 638.3092 14899454.0 | |
| 996 639.3125 2997621.0 | |
| 997 654.3336 5820376.0 | |
| 998 655.3356 2193767.0 | |
| 999 659.2881 4514707.0 | |
| 1000 END IONS | |
| 1001 | |
| 1002 BEGIN IONS | |
| 1003 NAME=C050 | |
| 1004 IONMODE=Negative | |
| 1005 RETENTIONTIME=562.13 | |
| 1006 RETENTIONINDEX= | |
| 1007 SPECTRUMTYPE=Centroid | |
| 1008 NUM PEAKS=6 | |
| 1009 281.2478 1427835.0 | |
| 1010 335.167 30837870.0 | |
| 1011 336.1723 5451925.0 | |
| 1012 339.1624 1173554.0 | |
| 1013 376.1936 9206685.0 | |
| 1014 665.4442 1293707.0 | |
| 1015 END IONS | |
| 1016 | |
| 1017 BEGIN IONS | |
| 1018 NAME=C051 | |
| 1019 IONMODE=Negative | |
| 1020 RETENTIONTIME=456.67 | |
| 1021 RETENTIONINDEX= | |
| 1022 SPECTRUMTYPE=Centroid | |
| 1023 NUM PEAKS=6 | |
| 1024 291.6451 4435338.0 | |
| 1025 299.6334 26082055.0 | |
| 1026 566.3211 20198673.0 | |
| 1027 567.3244 5871222.0 | |
| 1028 1085.656 2558054.0 | |
| 1029 1090.6457 6272992.0 | |
| 1030 END IONS | |
| 1031 | |
| 1032 BEGIN IONS | |
| 1033 NAME=C052 | |
| 1034 IONMODE=Negative | |
| 1035 RETENTIONTIME=478.9 | |
| 1036 RETENTIONINDEX= | |
| 1037 SPECTRUMTYPE=Centroid | |
| 1038 NUM PEAKS=6 | |
| 1039 127.2741 3285476.0 | |
| 1040 256.0036 7683803.0 | |
| 1041 297.1488 7327555.0 | |
| 1042 353.0562 14621952.0 | |
| 1043 536.308 48824542.0 | |
| 1044 537.3106 11482454.0 | |
| 1045 END IONS | |
| 1046 | |
| 1047 BEGIN IONS | |
| 1048 NAME=C053 | |
| 1049 IONMODE=Negative | |
| 1050 RETENTIONTIME=500.02 | |
| 1051 RETENTIONINDEX= | |
| 1052 SPECTRUMTYPE=Centroid | |
| 1053 NUM PEAKS=6 | |
| 1054 468.3899 33971049.0 | |
| 1055 604.3847 8198417.0 | |
| 1056 605.413 7101524.0 | |
| 1057 606.4209 1836398.0 | |
| 1058 609.34 9554282.0 | |
| 1059 610.3361 3888670.0 | |
| 1060 END IONS | |
| 1061 | |
| 1062 BEGIN IONS | |
| 1063 NAME=C054 | |
| 1064 IONMODE=Negative | |
| 1065 RETENTIONTIME=491.71 | |
| 1066 RETENTIONINDEX= | |
| 1067 SPECTRUMTYPE=Centroid | |
| 1068 NUM PEAKS=6 | |
| 1069 163.0757 4155052.0 | |
| 1070 313.1321 10599434.0 | |
| 1071 335.1258 3732806.0 | |
| 1072 365.1362 2964850.0 | |
| 1073 395.2774 12115107.0 | |
| 1074 399.2528 20584280.0 | |
| 1075 END IONS | |
| 1076 | |
| 1077 BEGIN IONS | |
| 1078 NAME=C055 | |
| 1079 IONMODE=Negative | |
| 1080 RETENTIONTIME=38.64 | |
| 1081 RETENTIONINDEX= | |
| 1082 SPECTRUMTYPE=Centroid | |
| 1083 NUM PEAKS=5 | |
| 1084 148.083 6444124.0 | |
| 1085 150.9966 13505497.0 | |
| 1086 258.0099 3216933.0 | |
| 1087 278.8998 1588478.0 | |
| 1088 280.0989 11446380.0 | |
| 1089 END IONS | |
| 1090 | |
| 1091 BEGIN IONS | |
| 1092 NAME=C056 | |
| 1093 IONMODE=Negative | |
| 1094 RETENTIONTIME=50.55 | |
| 1095 RETENTIONINDEX= | |
| 1096 SPECTRUMTYPE=Centroid | |
| 1097 NUM PEAKS=5 | |
| 1098 143.0804 9023795.0 | |
| 1099 235.0874 30725201.0 | |
| 1100 247.0975 42192032.0 | |
| 1101 315.08 444337895.0 | |
| 1102 316.0837 48279316.0 | |
| 1103 END IONS | |
| 1104 | |
| 1105 BEGIN IONS | |
| 1106 NAME=C057 | |
| 1107 IONMODE=Negative | |
| 1108 RETENTIONTIME=39.38 | |
| 1109 RETENTIONINDEX= | |
| 1110 SPECTRUMTYPE=Centroid | |
| 1111 NUM PEAKS=5 | |
| 1112 138.05 11589913.0 | |
| 1113 274.8004 7399559.0 | |
| 1114 386.7156 5744862.0 | |
| 1115 504.6304 5051649.0 | |
| 1116 584.623 2769986.0 | |
| 1117 END IONS | |
| 1118 | |
| 1119 BEGIN IONS | |
| 1120 NAME=C058 | |
| 1121 IONMODE=Negative | |
| 1122 RETENTIONTIME=37.83 | |
| 1123 RETENTIONINDEX= | |
| 1124 SPECTRUMTYPE=Centroid | |
| 1125 NUM PEAKS=5 | |
| 1126 136.0489 91083916.0 | |
| 1127 400.7495 6533309.0 | |
| 1128 410.7787 4155900.0 | |
| 1129 528.7721 2343823.0 | |
| 1130 542.6812 3135865.0 | |
| 1131 END IONS | |
| 1132 | |
| 1133 BEGIN IONS | |
| 1134 NAME=C059 | |
| 1135 IONMODE=Negative | |
| 1136 RETENTIONTIME=38.84 | |
| 1137 RETENTIONINDEX= | |
| 1138 SPECTRUMTYPE=Centroid | |
| 1139 NUM PEAKS=5 | |
| 1140 192.0572 5685906.0 | |
| 1141 208.0701 7862862.0 | |
| 1142 209.0731 140532642.0 | |
| 1143 373.9241 1194415.0 | |
| 1144 490.8177 16128577.0 | |
| 1145 END IONS | |
| 1146 | |
| 1147 BEGIN IONS | |
| 1148 NAME=C060 | |
| 1149 IONMODE=Negative | |
| 1150 RETENTIONTIME=521.59 | |
| 1151 RETENTIONINDEX= | |
| 1152 SPECTRUMTYPE=Centroid | |
| 1153 NUM PEAKS=5 | |
| 1154 668.4305 8028504.0 | |
| 1155 669.4357 4028528.0 | |
| 1156 930.1118 2367648.0 | |
| 1157 931.117 1841159.0 | |
| 1158 1192.2996 4150468.0 | |
| 1159 END IONS | |
| 1160 | |
| 1161 BEGIN IONS | |
| 1162 NAME=C061 | |
| 1163 IONMODE=Negative | |
| 1164 RETENTIONTIME=573.21 | |
| 1165 RETENTIONINDEX= | |
| 1166 SPECTRUMTYPE=Centroid | |
| 1167 NUM PEAKS=5 | |
| 1168 226.6269 3415692.0 | |
| 1169 265.2529 9899139.0 | |
| 1170 266.2547 1785474.0 | |
| 1171 371.2519 8233366.0 | |
| 1172 701.5302 1157410.0 | |
| 1173 END IONS | |
| 1174 | |
| 1175 BEGIN IONS | |
| 1176 NAME=C062 | |
| 1177 IONMODE=Negative | |
| 1178 RETENTIONTIME=404.94 | |
| 1179 RETENTIONINDEX= | |
| 1180 SPECTRUMTYPE=Centroid | |
| 1181 NUM PEAKS=5 | |
| 1182 272.2095 7792653.0 | |
| 1183 277.2131 11416355.0 | |
| 1184 296.2306 10660434.0 | |
| 1185 353.2304 32739905.0 | |
| 1186 373.2739 9818194.0 | |
| 1187 END IONS | |
| 1188 | |
| 1189 BEGIN IONS | |
| 1190 NAME=C063 | |
| 1191 IONMODE=Negative | |
| 1192 RETENTIONTIME=388.92 | |
| 1193 RETENTIONINDEX= | |
| 1194 SPECTRUMTYPE=Centroid | |
| 1195 NUM PEAKS=5 | |
| 1196 292.6357 2008767.0 | |
| 1197 585.271 56140774.0 | |
| 1198 586.2757 19804349.0 | |
| 1199 587.2789 3756282.0 | |
| 1200 601.2667 3868276.0 | |
| 1201 END IONS | |
| 1202 | |
| 1203 BEGIN IONS | |
| 1204 NAME=C064 | |
| 1205 IONMODE=Negative | |
| 1206 RETENTIONTIME=477.39 | |
| 1207 RETENTIONINDEX= | |
| 1208 SPECTRUMTYPE=Centroid | |
| 1209 NUM PEAKS=5 | |
| 1210 330.04 9899883.0 | |
| 1211 438.2983 22072874.0 | |
| 1212 439.3032 4759535.0 | |
| 1213 518.3223 174628688.0 | |
| 1214 519.326 47361590.0 | |
| 1215 END IONS | |
| 1216 | |
| 1217 BEGIN IONS | |
| 1218 NAME=C065 | |
| 1219 IONMODE=Negative | |
| 1220 RETENTIONTIME=484.01 | |
| 1221 RETENTIONINDEX= | |
| 1222 SPECTRUMTYPE=Centroid | |
| 1223 NUM PEAKS=5 | |
| 1224 240.0999 57718485.0 | |
| 1225 679.4209 6413969.0 | |
| 1226 1057.1551 3001955.0 | |
| 1227 1188.7713 3552262.0 | |
| 1228 1201.2745 3920305.0 | |
| 1229 END IONS | |
| 1230 | |
| 1231 BEGIN IONS | |
| 1232 NAME=C066 | |
| 1233 IONMODE=Negative | |
| 1234 RETENTIONTIME=477.61 | |
| 1235 RETENTIONINDEX= | |
| 1236 SPECTRUMTYPE=Centroid | |
| 1237 NUM PEAKS=5 | |
| 1238 508.3589 85631225.0 | |
| 1239 509.3621 29637747.0 | |
| 1240 769.9668 2034350.0 | |
| 1241 1031.6491 17237588.0 | |
| 1242 1032.6524 9264007.0 | |
| 1243 END IONS | |
| 1244 | |
| 1245 BEGIN IONS | |
| 1246 NAME=C067 | |
| 1247 IONMODE=Negative | |
| 1248 RETENTIONTIME=496.87 | |
| 1249 RETENTIONINDEX= | |
| 1250 SPECTRUMTYPE=Centroid | |
| 1251 NUM PEAKS=5 | |
| 1252 556.4425 28755077.0 | |
| 1253 557.445 8575104.0 | |
| 1254 600.4695 19352534.0 | |
| 1255 601.4722 6487708.0 | |
| 1256 644.4952 11254491.0 | |
| 1257 END IONS | |
| 1258 | |
| 1259 BEGIN IONS | |
| 1260 NAME=C068 | |
| 1261 IONMODE=Negative | |
| 1262 RETENTIONTIME=446.34 | |
| 1263 RETENTIONINDEX= | |
| 1264 SPECTRUMTYPE=Centroid | |
| 1265 NUM PEAKS=5 | |
| 1266 312.1598 48528731.0 | |
| 1267 313.238 12723416.0 | |
| 1268 357.2789 114727535.0 | |
| 1269 358.2846 32919178.0 | |
| 1270 359.2915 4641654.0 | |
| 1271 END IONS | |
| 1272 | |
| 1273 BEGIN IONS | |
| 1274 NAME=C069 | |
| 1275 IONMODE=Negative | |
| 1276 RETENTIONTIME=431.04 | |
| 1277 RETENTIONINDEX= | |
| 1278 SPECTRUMTYPE=Centroid | |
| 1279 NUM PEAKS=5 | |
| 1280 252.9981 5112473.0 | |
| 1281 327.0085 42852661.0 | |
| 1282 328.0117 4011270.0 | |
| 1283 329.0054 41634508.0 | |
| 1284 331.0028 13141699.0 | |
| 1285 END IONS | |
| 1286 | |
| 1287 BEGIN IONS | |
| 1288 NAME=C070 | |
| 1289 IONMODE=Negative | |
| 1290 RETENTIONTIME=436.01 | |
| 1291 RETENTIONINDEX= | |
| 1292 SPECTRUMTYPE=Centroid | |
| 1293 NUM PEAKS=5 | |
| 1294 597.3036 6280556.0 | |
| 1295 603.2936 12822464.0 | |
| 1296 604.2967 4096514.0 | |
| 1297 621.3034 7105990.0 | |
| 1298 622.3061 2351379.0 | |
| 1299 END IONS | |
| 1300 | |
| 1301 BEGIN IONS | |
| 1302 NAME=C071 | |
| 1303 IONMODE=Negative | |
| 1304 RETENTIONTIME=428.33 | |
| 1305 RETENTIONINDEX= | |
| 1306 SPECTRUMTYPE=Centroid | |
| 1307 NUM PEAKS=5 | |
| 1308 172.1645 1320296.0 | |
| 1309 205.1767 805534.0 | |
| 1310 301.2166 18169090.0 | |
| 1311 325.2163 7069382.0 | |
| 1312 343.2266 2908718.0 | |
| 1313 END IONS | |
| 1314 | |
| 1315 BEGIN IONS | |
| 1316 NAME=C072 | |
| 1317 IONMODE=Negative | |
| 1318 RETENTIONTIME=404.46 | |
| 1319 RETENTIONINDEX= | |
| 1320 SPECTRUMTYPE=Centroid | |
| 1321 NUM PEAKS=5 | |
| 1322 300.2174 12961057.0 | |
| 1323 318.0913 2035771.0 | |
| 1324 341.2118 3403529.0 | |
| 1325 352.2253 64611107.0 | |
| 1326 440.2781 3231404.0 | |
| 1327 END IONS | |
| 1328 | |
| 1329 BEGIN IONS | |
| 1330 NAME=C073 | |
| 1331 IONMODE=Negative | |
| 1332 RETENTIONTIME=39.45 | |
| 1333 RETENTIONINDEX= | |
| 1334 SPECTRUMTYPE=Centroid | |
| 1335 NUM PEAKS=4 | |
| 1336 105.1079 25643451.0 | |
| 1337 106.0882 1008121.0 | |
| 1338 132.0911 149213134.0 | |
| 1339 133.093 9606398.0 | |
| 1340 END IONS | |
| 1341 | |
| 1342 BEGIN IONS | |
| 1343 NAME=C074 | |
| 1344 IONMODE=Negative | |
| 1345 RETENTIONTIME=48.99 | |
| 1346 RETENTIONINDEX= | |
| 1347 SPECTRUMTYPE=Centroid | |
| 1348 NUM PEAKS=4 | |
| 1349 324.0009 6981928.0 | |
| 1350 367.9888 19794460.0 | |
| 1351 368.9907 10577331.0 | |
| 1352 383.9615 6271699.0 | |
| 1353 END IONS | |
| 1354 | |
| 1355 BEGIN IONS | |
| 1356 NAME=C075 | |
| 1357 IONMODE=Negative | |
| 1358 RETENTIONTIME=38.61 | |
| 1359 RETENTIONINDEX= | |
| 1360 SPECTRUMTYPE=Centroid | |
| 1361 NUM PEAKS=4 | |
| 1362 107.0073 3031654.0 | |
| 1363 231.0565 7541254.0 | |
| 1364 377.132 4900119.0 | |
| 1365 395.1564 6383328.0 | |
| 1366 END IONS | |
| 1367 | |
| 1368 BEGIN IONS | |
| 1369 NAME=C076 | |
| 1370 IONMODE=Negative | |
| 1371 RETENTIONTIME=55.64 | |
| 1372 RETENTIONINDEX= | |
| 1373 SPECTRUMTYPE=Centroid | |
| 1374 NUM PEAKS=4 | |
| 1375 92.9005 5352672.0 | |
| 1376 108.914 2618921.0 | |
| 1377 133.927 12290571.0 | |
| 1378 172.9567 33953504.0 | |
| 1379 END IONS | |
| 1380 | |
| 1381 BEGIN IONS | |
| 1382 NAME=C077 | |
| 1383 IONMODE=Negative | |
| 1384 RETENTIONTIME=568.29 | |
| 1385 RETENTIONINDEX= | |
| 1386 SPECTRUMTYPE=Centroid | |
| 1387 NUM PEAKS=4 | |
| 1388 583.8869 36863018.0 | |
| 1389 584.891 12016606.0 | |
| 1390 749.0231 12396899.0 | |
| 1391 750.0278 7401510.0 | |
| 1392 END IONS | |
| 1393 | |
| 1394 BEGIN IONS | |
| 1395 NAME=C078 | |
| 1396 IONMODE=Negative | |
| 1397 RETENTIONTIME=398.62 | |
| 1398 RETENTIONINDEX= | |
| 1399 SPECTRUMTYPE=Centroid | |
| 1400 NUM PEAKS=4 | |
| 1401 316.248 46844363.0 | |
| 1402 340.2484 7340552.0 | |
| 1403 360.2746 2404874.0 | |
| 1404 384.2747 2390732.0 | |
| 1405 END IONS | |
| 1406 | |
| 1407 BEGIN IONS | |
| 1408 NAME=C079 | |
| 1409 IONMODE=Negative | |
| 1410 RETENTIONTIME=385.1 | |
| 1411 RETENTIONINDEX= | |
| 1412 SPECTRUMTYPE=Centroid | |
| 1413 NUM PEAKS=4 | |
| 1414 261.1103 8569525.0 | |
| 1415 314.2328 55972011.0 | |
| 1416 315.2342 9937448.0 | |
| 1417 338.2334 3234158.0 | |
| 1418 END IONS | |
| 1419 | |
| 1420 BEGIN IONS | |
| 1421 NAME=C080 | |
| 1422 IONMODE=Negative | |
| 1423 RETENTIONTIME=410.4 | |
| 1424 RETENTIONINDEX= | |
| 1425 SPECTRUMTYPE=Centroid | |
| 1426 NUM PEAKS=4 | |
| 1427 225.1924 28100176.0 | |
| 1428 226.1948 3835768.0 | |
| 1429 647.2353 2107218.0 | |
| 1430 649.2515 1886834.0 | |
| 1431 END IONS | |
| 1432 | |
| 1433 BEGIN IONS | |
| 1434 NAME=C081 | |
| 1435 IONMODE=Negative | |
| 1436 RETENTIONTIME=367.91 | |
| 1437 RETENTIONINDEX= | |
| 1438 SPECTRUMTYPE=Centroid | |
| 1439 NUM PEAKS=4 | |
| 1440 253.1952 3853260.0 | |
| 1441 271.2061 11931733.0 | |
| 1442 283.2425 2898656.0 | |
| 1443 505.1464 7616256.0 | |
| 1444 END IONS | |
| 1445 | |
| 1446 BEGIN IONS | |
| 1447 NAME=C082 | |
| 1448 IONMODE=Negative | |
| 1449 RETENTIONTIME=379.79 | |
| 1450 RETENTIONINDEX= | |
| 1451 SPECTRUMTYPE=Centroid | |
| 1452 NUM PEAKS=4 | |
| 1453 412.2849 4835668.0 | |
| 1454 430.2953 5331329.0 | |
| 1455 466.3171 7929750.0 | |
| 1456 467.3198 2167391.0 | |
| 1457 END IONS | |
| 1458 | |
| 1459 BEGIN IONS | |
| 1460 NAME=C083 | |
| 1461 IONMODE=Negative | |
| 1462 RETENTIONTIME=469.39 | |
| 1463 RETENTIONINDEX= | |
| 1464 SPECTRUMTYPE=Centroid | |
| 1465 NUM PEAKS=4 | |
| 1466 207.1969 3373287.0 | |
| 1467 535.3019 10075790.0 | |
| 1468 1015.672 36276276.0 | |
| 1469 1016.676 19226871.0 | |
| 1470 END IONS | |
| 1471 | |
| 1472 BEGIN IONS | |
| 1473 NAME=C084 | |
| 1474 IONMODE=Negative | |
| 1475 RETENTIONTIME=502.62 | |
| 1476 RETENTIONINDEX= | |
| 1477 SPECTRUMTYPE=Centroid | |
| 1478 NUM PEAKS=4 | |
| 1479 458.3479 6136032.0 | |
| 1480 473.3452 10623724.0 | |
| 1481 517.3716 8926693.0 | |
| 1482 590.4116 3279579.0 | |
| 1483 END IONS | |
| 1484 | |
| 1485 BEGIN IONS | |
| 1486 NAME=C085 | |
| 1487 IONMODE=Negative | |
| 1488 RETENTIONTIME=505.7 | |
| 1489 RETENTIONINDEX= | |
| 1490 SPECTRUMTYPE=Centroid | |
| 1491 NUM PEAKS=4 | |
| 1492 400.339 54213917.0 | |
| 1493 401.3452 13221351.0 | |
| 1494 426.3579 107580438.0 | |
| 1495 427.3613 29338788.0 | |
| 1496 END IONS | |
| 1497 | |
| 1498 BEGIN IONS | |
| 1499 NAME=C086 | |
| 1500 IONMODE=Negative | |
| 1501 RETENTIONTIME=440.16 | |
| 1502 RETENTIONINDEX= | |
| 1503 SPECTRUMTYPE=Centroid | |
| 1504 NUM PEAKS=4 | |
| 1505 214.2533 1493815.0 | |
| 1506 230.2479 7797320.0 | |
| 1507 284.1286 13622785.0 | |
| 1508 417.3195 4847876.0 | |
| 1509 END IONS | |
| 1510 | |
| 1511 BEGIN IONS | |
| 1512 NAME=C087 | |
| 1513 IONMODE=Negative | |
| 1514 RETENTIONTIME=437.62 | |
| 1515 RETENTIONINDEX= | |
| 1516 SPECTRUMTYPE=Centroid | |
| 1517 NUM PEAKS=4 | |
| 1518 394.2904 10535151.0 | |
| 1519 471.7966 5456746.0 | |
| 1520 476.2963 13371322.0 | |
| 1521 540.3676 4228098.0 | |
| 1522 END IONS | |
| 1523 | |
| 1524 BEGIN IONS | |
| 1525 NAME=C088 | |
| 1526 IONMODE=Negative | |
| 1527 RETENTIONTIME=430.41 | |
| 1528 RETENTIONINDEX= | |
| 1529 SPECTRUMTYPE=Centroid | |
| 1530 NUM PEAKS=4 | |
| 1531 348.9906 5939980.0 | |
| 1532 350.9873 5719912.0 | |
| 1533 426.1135 590428.0 | |
| 1534 428.1109 573856.0 | |
| 1535 END IONS | |
| 1536 | |
| 1537 BEGIN IONS | |
| 1538 NAME=C089 | |
| 1539 IONMODE=Negative | |
| 1540 RETENTIONTIME=407.21 | |
| 1541 RETENTIONINDEX= | |
| 1542 SPECTRUMTYPE=Centroid | |
| 1543 NUM PEAKS=4 | |
| 1544 158.1543 12609020.0 | |
| 1545 159.1576 1084056.0 | |
| 1546 374.2762 3731741.0 | |
| 1547 391.209 1174675.0 | |
| 1548 END IONS | |
| 1549 | |
| 1550 BEGIN IONS | |
| 1551 NAME=C090 | |
| 1552 IONMODE=Negative | |
| 1553 RETENTIONTIME=38.56 | |
| 1554 RETENTIONINDEX= | |
| 1555 SPECTRUMTYPE=Centroid | |
| 1556 NUM PEAKS=3 | |
| 1557 98.919 34309379.0 | |
| 1558 104.1071 417600412.0 | |
| 1559 137.0709 19389252.0 | |
| 1560 END IONS | |
| 1561 | |
| 1562 BEGIN IONS | |
| 1563 NAME=C091 | |
| 1564 IONMODE=Negative | |
| 1565 RETENTIONTIME=41.11 | |
| 1566 RETENTIONINDEX= | |
| 1567 SPECTRUMTYPE=Centroid | |
| 1568 NUM PEAKS=3 | |
| 1569 94.0648 29912950.0 | |
| 1570 96.0453 2810684.0 | |
| 1571 110.0706 3533397.0 | |
| 1572 END IONS | |
| 1573 | |
| 1574 BEGIN IONS | |
| 1575 NAME=C092 | |
| 1576 IONMODE=Negative | |
| 1577 RETENTIONTIME=47.76 | |
| 1578 RETENTIONINDEX= | |
| 1579 SPECTRUMTYPE=Centroid | |
| 1580 NUM PEAKS=3 | |
| 1581 181.0711 22419168.0 | |
| 1582 195.0878 229226763.0 | |
| 1583 196.0894 20952137.0 | |
| 1584 END IONS | |
| 1585 | |
| 1586 BEGIN IONS | |
| 1587 NAME=C093 | |
| 1588 IONMODE=Negative | |
| 1589 RETENTIONTIME=43.24 | |
| 1590 RETENTIONINDEX= | |
| 1591 SPECTRUMTYPE=Centroid | |
| 1592 NUM PEAKS=3 | |
| 1593 153.0676 6096061.0 | |
| 1594 286.2015 11316338.0 | |
| 1595 304.2116 3065540.0 | |
| 1596 END IONS | |
| 1597 | |
| 1598 BEGIN IONS | |
| 1599 NAME=C094 | |
| 1600 IONMODE=Negative | |
| 1601 RETENTIONTIME=59.41 | |
| 1602 RETENTIONINDEX= | |
| 1603 SPECTRUMTYPE=Centroid | |
| 1604 NUM PEAKS=3 | |
| 1605 302.02 42982160.0 | |
| 1606 344.0145 12088963.0 | |
| 1607 346.0096 208562691.0 | |
| 1608 END IONS | |
| 1609 | |
| 1610 BEGIN IONS | |
| 1611 NAME=C095 | |
| 1612 IONMODE=Negative | |
| 1613 RETENTIONTIME=17.88 | |
| 1614 RETENTIONINDEX= | |
| 1615 SPECTRUMTYPE=Centroid | |
| 1616 NUM PEAKS=3 | |
| 1617 246.8615 7541207.0 | |
| 1618 287.8894 13522201.0 | |
| 1619 305.9005 3724287.0 | |
| 1620 END IONS | |
| 1621 | |
| 1622 BEGIN IONS | |
| 1623 NAME=C096 | |
| 1624 IONMODE=Negative | |
| 1625 RETENTIONTIME=18.25 | |
| 1626 RETENTIONINDEX= | |
| 1627 SPECTRUMTYPE=Centroid | |
| 1628 NUM PEAKS=3 | |
| 1629 241.8884 9750879.0 | |
| 1630 259.8949 3972734.0 | |
| 1631 304.8923 2897534.0 | |
| 1632 END IONS | |
| 1633 | |
| 1634 BEGIN IONS | |
| 1635 NAME=C097 | |
| 1636 IONMODE=Negative | |
| 1637 RETENTIONTIME=17.2 | |
| 1638 RETENTIONINDEX= | |
| 1639 SPECTRUMTYPE=Centroid | |
| 1640 NUM PEAKS=3 | |
| 1641 88.9319 1738316.0 | |
| 1642 111.9685 52093481.0 | |
| 1643 294.8639 3662077.0 | |
| 1644 END IONS | |
| 1645 | |
| 1646 BEGIN IONS | |
| 1647 NAME=C098 | |
| 1648 IONMODE=Negative | |
| 1649 RETENTIONTIME=520.97 | |
| 1650 RETENTIONINDEX= | |
| 1651 SPECTRUMTYPE=Centroid | |
| 1652 NUM PEAKS=3 | |
| 1653 314.0269 3344905.0 | |
| 1654 320.168 7908369.0 | |
| 1655 321.1683 2715496.0 | |
| 1656 END IONS | |
| 1657 | |
| 1658 BEGIN IONS | |
| 1659 NAME=C099 | |
| 1660 IONMODE=Negative | |
| 1661 RETENTIONTIME=513.8 | |
| 1662 RETENTIONINDEX= | |
| 1663 SPECTRUMTYPE=Centroid | |
| 1664 NUM PEAKS=3 | |
| 1665 220.1175 1361371.0 | |
| 1666 228.2326 6233400.0 | |
| 1667 268.2658 2396656.0 | |
| 1668 END IONS | |
| 1669 | |
| 1670 BEGIN IONS | |
| 1671 NAME=C100 | |
| 1672 IONMODE=Negative | |
| 1673 RETENTIONTIME=589.95 | |
| 1674 RETENTIONINDEX= | |
| 1675 SPECTRUMTYPE=Centroid | |
| 1676 NUM PEAKS=3 | |
| 1677 732.5543 29332289.0 | |
| 1678 733.5576 12786143.0 | |
| 1679 810.6019 170332070.0 | |
| 1680 END IONS | |
| 1681 | |
| 1682 BEGIN IONS | |
| 1683 NAME=C101 | |
| 1684 IONMODE=Negative | |
| 1685 RETENTIONTIME=596.5 | |
| 1686 RETENTIONINDEX= | |
| 1687 SPECTRUMTYPE=Centroid | |
| 1688 NUM PEAKS=3 | |
| 1689 325.2922 966346.0 | |
| 1690 378.2092 6124105.0 | |
| 1691 663.4541 1495638.0 | |
| 1692 END IONS | |
| 1693 | |
| 1694 BEGIN IONS | |
| 1695 NAME=C102 | |
| 1696 IONMODE=Negative | |
| 1697 RETENTIONTIME=568.65 | |
| 1698 RETENTIONINDEX= | |
| 1699 SPECTRUMTYPE=Centroid | |
| 1700 NUM PEAKS=3 | |
| 1701 190.0013 1371611.0 | |
| 1702 235.1326 4646021.0 | |
| 1703 236.1305 1698666.0 | |
| 1704 END IONS | |
| 1705 | |
| 1706 BEGIN IONS | |
| 1707 NAME=C103 | |
| 1708 IONMODE=Negative | |
| 1709 RETENTIONTIME=535.76 | |
| 1710 RETENTIONINDEX= | |
| 1711 SPECTRUMTYPE=Centroid | |
| 1712 NUM PEAKS=3 | |
| 1713 263.2373 9502360.0 | |
| 1714 614.4833 2200287.0 | |
| 1715 658.51 2078188.0 | |
| 1716 END IONS | |
| 1717 | |
| 1718 BEGIN IONS | |
| 1719 NAME=C104 | |
| 1720 IONMODE=Negative | |
| 1721 RETENTIONTIME=531.01 | |
| 1722 RETENTIONINDEX= | |
| 1723 SPECTRUMTYPE=Centroid | |
| 1724 NUM PEAKS=3 | |
| 1725 237.22 1561112.0 | |
| 1726 466.33 13287998.0 | |
| 1727 467.3202 3787115.0 | |
| 1728 END IONS | |
| 1729 | |
| 1730 BEGIN IONS | |
| 1731 NAME=C105 | |
| 1732 IONMODE=Negative | |
| 1733 RETENTIONTIME=351.57 | |
| 1734 RETENTIONINDEX= | |
| 1735 SPECTRUMTYPE=Centroid | |
| 1736 NUM PEAKS=3 | |
| 1737 361.2015 3929265.0 | |
| 1738 363.2171 20574377.0 | |
| 1739 364.2205 4609697.0 | |
| 1740 END IONS | |
| 1741 | |
| 1742 BEGIN IONS | |
| 1743 NAME=C106 | |
| 1744 IONMODE=Negative | |
| 1745 RETENTIONTIME=358.55 | |
| 1746 RETENTIONINDEX= | |
| 1747 SPECTRUMTYPE=Centroid | |
| 1748 NUM PEAKS=3 | |
| 1749 288.2172 21440274.0 | |
| 1750 311.2052 7425805.0 | |
| 1751 332.2433 6088330.0 | |
| 1752 END IONS | |
| 1753 | |
| 1754 BEGIN IONS | |
| 1755 NAME=C107 | |
| 1756 IONMODE=Negative | |
| 1757 RETENTIONTIME=402.91 | |
| 1758 RETENTIONINDEX= | |
| 1759 SPECTRUMTYPE=Centroid | |
| 1760 NUM PEAKS=3 | |
| 1761 583.2564 11666865.0 | |
| 1762 584.2607 4806507.0 | |
| 1763 633.2562 5502961.0 | |
| 1764 END IONS | |
| 1765 | |
| 1766 BEGIN IONS | |
| 1767 NAME=C108 | |
| 1768 IONMODE=Negative | |
| 1769 RETENTIONTIME=388.14 | |
| 1770 RETENTIONINDEX= | |
| 1771 SPECTRUMTYPE=Centroid | |
| 1772 NUM PEAKS=3 | |
| 1773 274.2123 89701347.0 | |
| 1774 284.9615 3063470.0 | |
| 1775 416.3167 18882679.0 | |
| 1776 END IONS | |
| 1777 | |
| 1778 BEGIN IONS | |
| 1779 NAME=C109 | |
| 1780 IONMODE=Negative | |
| 1781 RETENTIONTIME=449.77 | |
| 1782 RETENTIONINDEX= | |
| 1783 SPECTRUMTYPE=Centroid | |
| 1784 NUM PEAKS=3 | |
| 1785 266.6214 6852794.0 | |
| 1786 361.2739 5667417.0 | |
| 1787 489.1806 1695863.0 | |
| 1788 END IONS | |
| 1789 | |
| 1790 BEGIN IONS | |
| 1791 NAME=C110 | |
| 1792 IONMODE=Negative | |
| 1793 RETENTIONTIME=469.09 | |
| 1794 RETENTIONINDEX= | |
| 1795 SPECTRUMTYPE=Centroid | |
| 1796 NUM PEAKS=3 | |
| 1797 436.2823 1402683.0 | |
| 1798 454.2933 89940088.0 | |
| 1799 455.2967 19108220.0 | |
| 1800 END IONS | |
| 1801 | |
| 1802 BEGIN IONS | |
| 1803 NAME=C111 | |
| 1804 IONMODE=Negative | |
| 1805 RETENTIONTIME=475.44 | |
| 1806 RETENTIONINDEX= | |
| 1807 SPECTRUMTYPE=Centroid | |
| 1808 NUM PEAKS=3 | |
| 1809 515.3077 11336664.0 | |
| 1810 596.2657 6107659.0 | |
| 1811 599.4392 1882543.0 | |
| 1812 END IONS | |
| 1813 | |
| 1814 BEGIN IONS | |
| 1815 NAME=C112 | |
| 1816 IONMODE=Negative | |
| 1817 RETENTIONTIME=480.9 | |
| 1818 RETENTIONINDEX= | |
| 1819 SPECTRUMTYPE=Centroid | |
| 1820 NUM PEAKS=3 | |
| 1821 424.3453 65681466.0 | |
| 1822 425.3459 16618174.0 | |
| 1823 448.3429 4650811.0 | |
| 1824 END IONS | |
| 1825 | |
| 1826 BEGIN IONS | |
| 1827 NAME=C113 | |
| 1828 IONMODE=Negative | |
| 1829 RETENTIONTIME=507.69 | |
| 1830 RETENTIONINDEX= | |
| 1831 SPECTRUMTYPE=Centroid | |
| 1832 NUM PEAKS=3 | |
| 1833 261.2422 1470485.0 | |
| 1834 283.2017 5499746.0 | |
| 1835 369.1252 1397276.0 | |
| 1836 END IONS | |
| 1837 | |
| 1838 BEGIN IONS | |
| 1839 NAME=C114 | |
| 1840 IONMODE=Negative | |
| 1841 RETENTIONTIME=500.04 | |
| 1842 RETENTIONINDEX= | |
| 1843 SPECTRUMTYPE=Centroid | |
| 1844 NUM PEAKS=3 | |
| 1845 109.5218 8470191.0 | |
| 1846 111.5221 8871153.0 | |
| 1847 469.3939 8286428.0 | |
| 1848 END IONS | |
| 1849 | |
| 1850 BEGIN IONS | |
| 1851 NAME=C115 | |
| 1852 IONMODE=Negative | |
| 1853 RETENTIONTIME=498.95 | |
| 1854 RETENTIONINDEX= | |
| 1855 SPECTRUMTYPE=Centroid | |
| 1856 NUM PEAKS=3 | |
| 1857 239.1464 2483711.0 | |
| 1858 259.1161 653696.0 | |
| 1859 390.3208 1535784.0 | |
| 1860 END IONS | |
| 1861 | |
| 1862 BEGIN IONS | |
| 1863 NAME=C116 | |
| 1864 IONMODE=Negative | |
| 1865 RETENTIONTIME=455.37 | |
| 1866 RETENTIONINDEX= | |
| 1867 SPECTRUMTYPE=Centroid | |
| 1868 NUM PEAKS=3 | |
| 1869 229.0895 4621754.0 | |
| 1870 257.2238 2133166.0 | |
| 1871 354.2842 3818861.0 | |
| 1872 END IONS | |
| 1873 | |
| 1874 BEGIN IONS | |
| 1875 NAME=C117 | |
| 1876 IONMODE=Negative | |
| 1877 RETENTIONTIME=425.37 | |
| 1878 RETENTIONINDEX= | |
| 1879 SPECTRUMTYPE=Centroid | |
| 1880 NUM PEAKS=3 | |
| 1881 177.0628 3105367.0 | |
| 1882 245.0854 1520439.0 | |
| 1883 356.2801 11507639.0 | |
| 1884 END IONS | |
| 1885 | |
| 1886 BEGIN IONS | |
| 1887 NAME=C118 | |
| 1888 IONMODE=Negative | |
| 1889 RETENTIONTIME=439.21 | |
| 1890 RETENTIONINDEX= | |
| 1891 SPECTRUMTYPE=Centroid | |
| 1892 NUM PEAKS=3 | |
| 1893 264.2696 3219638.0 | |
| 1894 380.2567 13628316.0 | |
| 1895 382.2719 3659980.0 | |
| 1896 END IONS | |
| 1897 | |
| 1898 BEGIN IONS | |
| 1899 NAME=C119 | |
| 1900 IONMODE=Negative | |
| 1901 RETENTIONTIME=75.44 | |
| 1902 RETENTIONINDEX= | |
| 1903 SPECTRUMTYPE=Centroid | |
| 1904 NUM PEAKS=2 | |
| 1905 244.0267 1028121.0 | |
| 1906 267.043 3378727.0 | |
| 1907 END IONS | |
| 1908 | |
| 1909 BEGIN IONS | |
| 1910 NAME=C120 | |
| 1911 IONMODE=Negative | |
| 1912 RETENTIONTIME=38.24 | |
| 1913 RETENTIONINDEX= | |
| 1914 SPECTRUMTYPE=Centroid | |
| 1915 NUM PEAKS=2 | |
| 1916 130.0494 15956803.0 | |
| 1917 239.9654 1459631.0 | |
| 1918 END IONS | |
| 1919 | |
| 1920 BEGIN IONS | |
| 1921 NAME=C121 | |
| 1922 IONMODE=Negative | |
| 1923 RETENTIONTIME=35.65 | |
| 1924 RETENTIONINDEX= | |
| 1925 SPECTRUMTYPE=Centroid | |
| 1926 NUM PEAKS=2 | |
| 1927 465.8067 2674183.0 | |
| 1928 468.745 4564703.0 | |
| 1929 END IONS | |
| 1930 | |
| 1931 BEGIN IONS | |
| 1932 NAME=C122 | |
| 1933 IONMODE=Negative | |
| 1934 RETENTIONTIME=42.78 | |
| 1935 RETENTIONINDEX= | |
| 1936 SPECTRUMTYPE=Centroid | |
| 1937 NUM PEAKS=2 | |
| 1938 232.1548 11289500.0 | |
| 1939 246.1704 11953696.0 | |
| 1940 END IONS | |
| 1941 | |
| 1942 BEGIN IONS | |
| 1943 NAME=C123 | |
| 1944 IONMODE=Negative | |
| 1945 RETENTIONTIME=40.19 | |
| 1946 RETENTIONINDEX= | |
| 1947 SPECTRUMTYPE=Centroid | |
| 1948 NUM PEAKS=2 | |
| 1949 102.0359 2328253.0 | |
| 1950 149.9462 11520115.0 | |
| 1951 END IONS | |
| 1952 | |
| 1953 BEGIN IONS | |
| 1954 NAME=C124 | |
| 1955 IONMODE=Negative | |
| 1956 RETENTIONTIME=40.7 | |
| 1957 RETENTIONINDEX= | |
| 1958 SPECTRUMTYPE=Centroid | |
| 1959 NUM PEAKS=2 | |
| 1960 147.0736 18882528.0 | |
| 1961 229.1558 16017750.0 | |
| 1962 END IONS | |
| 1963 | |
| 1964 BEGIN IONS | |
| 1965 NAME=C125 | |
| 1966 IONMODE=Negative | |
| 1967 RETENTIONTIME=35.04 | |
| 1968 RETENTIONINDEX= | |
| 1969 SPECTRUMTYPE=Centroid | |
| 1970 NUM PEAKS=2 | |
| 1971 271.9473 2149468.0 | |
| 1972 276.896 10711749.0 | |
| 1973 END IONS | |
| 1974 | |
| 1975 BEGIN IONS | |
| 1976 NAME=C126 | |
| 1977 IONMODE=Negative | |
| 1978 RETENTIONTIME=36.81 | |
| 1979 RETENTIONINDEX= | |
| 1980 SPECTRUMTYPE=Centroid | |
| 1981 NUM PEAKS=2 | |
| 1982 140.0669 214841376.0 | |
| 1983 141.0353 15611039.0 | |
| 1984 END IONS | |
| 1985 | |
| 1986 BEGIN IONS | |
| 1987 NAME=C127 | |
| 1988 IONMODE=Negative | |
| 1989 RETENTIONTIME=17.03 | |
| 1990 RETENTIONINDEX= | |
| 1991 SPECTRUMTYPE=Centroid | |
| 1992 NUM PEAKS=2 | |
| 1993 277.8643 3798476.0 | |
| 1994 295.8715 2325241.0 | |
| 1995 END IONS | |
| 1996 | |
| 1997 BEGIN IONS | |
| 1998 NAME=C128 | |
| 1999 IONMODE=Negative | |
| 2000 RETENTIONTIME=317.37 | |
| 2001 RETENTIONINDEX= | |
| 2002 SPECTRUMTYPE=Centroid | |
| 2003 NUM PEAKS=2 | |
| 2004 286.2016 21614042.0 | |
| 2005 287.2049 3344526.0 | |
| 2006 END IONS | |
| 2007 | |
| 2008 BEGIN IONS | |
| 2009 NAME=C129 | |
| 2010 IONMODE=Negative | |
| 2011 RETENTIONTIME=520.57 | |
| 2012 RETENTIONINDEX= | |
| 2013 SPECTRUMTYPE=Centroid | |
| 2014 NUM PEAKS=2 | |
| 2015 943.6165 3052234.0 | |
| 2016 1205.3044 6938899.0 | |
| 2017 END IONS | |
| 2018 | |
| 2019 BEGIN IONS | |
| 2020 NAME=C130 | |
| 2021 IONMODE=Negative | |
| 2022 RETENTIONTIME=511.04 | |
| 2023 RETENTIONINDEX= | |
| 2024 SPECTRUMTYPE=Centroid | |
| 2025 NUM PEAKS=2 | |
| 2026 269.983 889010.0 | |
| 2027 341.2854 4773092.0 | |
| 2028 END IONS | |
| 2029 | |
| 2030 BEGIN IONS | |
| 2031 NAME=C131 | |
| 2032 IONMODE=Negative | |
| 2033 RETENTIONTIME=584.44 | |
| 2034 RETENTIONINDEX= | |
| 2035 SPECTRUMTYPE=Centroid | |
| 2036 NUM PEAKS=2 | |
| 2037 111.0204 81745635.0 | |
| 2038 139.9881 60275297.0 | |
| 2039 END IONS | |
| 2040 | |
| 2041 BEGIN IONS | |
| 2042 NAME=C132 | |
| 2043 IONMODE=Negative | |
| 2044 RETENTIONTIME=594.5 | |
| 2045 RETENTIONINDEX= | |
| 2046 SPECTRUMTYPE=Centroid | |
| 2047 NUM PEAKS=2 | |
| 2048 241.1402 2703532.0 | |
| 2049 253.2523 948549.0 | |
| 2050 END IONS | |
| 2051 | |
| 2052 BEGIN IONS | |
| 2053 NAME=C133 | |
| 2054 IONMODE=Negative | |
| 2055 RETENTIONTIME=587.56 | |
| 2056 RETENTIONINDEX= | |
| 2057 SPECTRUMTYPE=Centroid | |
| 2058 NUM PEAKS=2 | |
| 2059 134.1177 233169113.0 | |
| 2060 135.1211 15007034.0 | |
| 2061 END IONS | |
| 2062 | |
| 2063 BEGIN IONS | |
| 2064 NAME=C134 | |
| 2065 IONMODE=Negative | |
| 2066 RETENTIONTIME=586.91 | |
| 2067 RETENTIONINDEX= | |
| 2068 SPECTRUMTYPE=Centroid | |
| 2069 NUM PEAKS=2 | |
| 2070 100.1122 314050032.0 | |
| 2071 118.1228 927034767.0 | |
| 2072 END IONS | |
| 2073 | |
| 2074 BEGIN IONS | |
| 2075 NAME=C135 | |
| 2076 IONMODE=Negative | |
| 2077 RETENTIONTIME=587 | |
| 2078 RETENTIONINDEX= | |
| 2079 SPECTRUMTYPE=Centroid | |
| 2080 NUM PEAKS=2 | |
| 2081 90.0915 18125403.0 | |
| 2082 101.1156 19921503.0 | |
| 2083 END IONS | |
| 2084 | |
| 2085 BEGIN IONS | |
| 2086 NAME=C136 | |
| 2087 IONMODE=Negative | |
| 2088 RETENTIONTIME=586.09 | |
| 2089 RETENTIONINDEX= | |
| 2090 SPECTRUMTYPE=Centroid | |
| 2091 NUM PEAKS=2 | |
| 2092 125.0745 5222472.0 | |
| 2093 284.3251 3483102.0 | |
| 2094 END IONS | |
| 2095 | |
| 2096 BEGIN IONS | |
| 2097 NAME=C137 | |
| 2098 IONMODE=Negative | |
| 2099 RETENTIONTIME=567.43 | |
| 2100 RETENTIONINDEX= | |
| 2101 SPECTRUMTYPE=Centroid | |
| 2102 NUM PEAKS=2 | |
| 2103 572.8946 4699172.0 | |
| 2104 573.9011 965749.0 | |
| 2105 END IONS | |
| 2106 | |
| 2107 BEGIN IONS | |
| 2108 NAME=C138 | |
| 2109 IONMODE=Negative | |
| 2110 RETENTIONTIME=567.99 | |
| 2111 RETENTIONINDEX= | |
| 2112 SPECTRUMTYPE=Centroid | |
| 2113 NUM PEAKS=2 | |
| 2114 571.8874 9632225.0 | |
| 2115 737.0252 3438536.0 | |
| 2116 END IONS | |
| 2117 | |
| 2118 BEGIN IONS | |
| 2119 NAME=C139 | |
| 2120 IONMODE=Negative | |
| 2121 RETENTIONTIME=569.1 | |
| 2122 RETENTIONINDEX= | |
| 2123 SPECTRUMTYPE=Centroid | |
| 2124 NUM PEAKS=2 | |
| 2125 354.2721 3585655.0 | |
| 2126 467.2343 5702586.0 | |
| 2127 END IONS | |
| 2128 | |
| 2129 BEGIN IONS | |
| 2130 NAME=C140 | |
| 2131 IONMODE=Negative | |
| 2132 RETENTIONTIME=561.51 | |
| 2133 RETENTIONINDEX= | |
| 2134 SPECTRUMTYPE=Centroid | |
| 2135 NUM PEAKS=2 | |
| 2136 428.3739 27323731.0 | |
| 2137 454.3894 5088107.0 | |
| 2138 END IONS | |
| 2139 | |
| 2140 BEGIN IONS | |
| 2141 NAME=C141 | |
| 2142 IONMODE=Negative | |
| 2143 RETENTIONTIME=536.31 | |
| 2144 RETENTIONINDEX= | |
| 2145 SPECTRUMTYPE=Centroid | |
| 2146 NUM PEAKS=2 | |
| 2147 333.1517 8840004.0 | |
| 2148 334.1551 1501440.0 | |
| 2149 END IONS | |
| 2150 | |
| 2151 BEGIN IONS | |
| 2152 NAME=C142 | |
| 2153 IONMODE=Negative | |
| 2154 RETENTIONTIME=543.48 | |
| 2155 RETENTIONINDEX= | |
| 2156 SPECTRUMTYPE=Centroid | |
| 2157 NUM PEAKS=2 | |
| 2158 383.188 14719171.0 | |
| 2159 384.1866 3279849.0 | |
| 2160 END IONS | |
| 2161 | |
| 2162 BEGIN IONS | |
| 2163 NAME=C143 | |
| 2164 IONMODE=Negative | |
| 2165 RETENTIONTIME=548.78 | |
| 2166 RETENTIONINDEX= | |
| 2167 SPECTRUMTYPE=Centroid | |
| 2168 NUM PEAKS=2 | |
| 2169 387.1432 12915848.0 | |
| 2170 407.6598 4564346.0 | |
| 2171 END IONS | |
| 2172 | |
| 2173 BEGIN IONS | |
| 2174 NAME=C144 | |
| 2175 IONMODE=Negative | |
| 2176 RETENTIONTIME=553.62 | |
| 2177 RETENTIONINDEX= | |
| 2178 SPECTRUMTYPE=Centroid | |
| 2179 NUM PEAKS=2 | |
| 2180 359.1781 45383099.0 | |
| 2181 360.185 9704481.0 | |
| 2182 END IONS | |
| 2183 | |
| 2184 BEGIN IONS | |
| 2185 NAME=C145 | |
| 2186 IONMODE=Negative | |
| 2187 RETENTIONTIME=545.31 | |
| 2188 RETENTIONINDEX= | |
| 2189 SPECTRUMTYPE=Centroid | |
| 2190 NUM PEAKS=2 | |
| 2191 394.3559 432819.0 | |
| 2192 443.3331 1151694.0 | |
| 2193 END IONS | |
| 2194 | |
| 2195 BEGIN IONS | |
| 2196 NAME=C146 | |
| 2197 IONMODE=Negative | |
| 2198 RETENTIONTIME=551.39 | |
| 2199 RETENTIONINDEX= | |
| 2200 SPECTRUMTYPE=Centroid | |
| 2201 NUM PEAKS=2 | |
| 2202 350.1838 4199726.0 | |
| 2203 365.2288 1932289.0 | |
| 2204 END IONS | |
| 2205 | |
| 2206 BEGIN IONS | |
| 2207 NAME=C147 | |
| 2208 IONMODE=Negative | |
| 2209 RETENTIONTIME=563.22 | |
| 2210 RETENTIONINDEX= | |
| 2211 SPECTRUMTYPE=Centroid | |
| 2212 NUM PEAKS=2 | |
| 2213 256.2615 19433189.0 | |
| 2214 282.2792 241362345.0 | |
| 2215 END IONS | |
| 2216 | |
| 2217 BEGIN IONS | |
| 2218 NAME=C148 | |
| 2219 IONMODE=Negative | |
| 2220 RETENTIONTIME=548.47 | |
| 2221 RETENTIONINDEX= | |
| 2222 SPECTRUMTYPE=Centroid | |
| 2223 NUM PEAKS=2 | |
| 2224 305.2468 9633582.0 | |
| 2225 329.249 5814756.0 | |
| 2226 END IONS | |
| 2227 | |
| 2228 BEGIN IONS | |
| 2229 NAME=C149 | |
| 2230 IONMODE=Negative | |
| 2231 RETENTIONTIME=350.93 | |
| 2232 RETENTIONINDEX= | |
| 2233 SPECTRUMTYPE=Centroid | |
| 2234 NUM PEAKS=2 | |
| 2235 130.0643 7419216.0 | |
| 2236 190.0865 4433780.0 | |
| 2237 END IONS | |
| 2238 | |
| 2239 BEGIN IONS | |
| 2240 NAME=C150 | |
| 2241 IONMODE=Negative | |
| 2242 RETENTIONTIME=365.37 | |
| 2243 RETENTIONINDEX= | |
| 2244 SPECTRUMTYPE=Centroid | |
| 2245 NUM PEAKS=2 | |
| 2246 465.1226 1763287.0 | |
| 2247 490.2083 5275418.0 | |
| 2248 END IONS | |
| 2249 | |
| 2250 BEGIN IONS | |
| 2251 NAME=C151 | |
| 2252 IONMODE=Negative | |
| 2253 RETENTIONTIME=394.87 | |
| 2254 RETENTIONINDEX= | |
| 2255 SPECTRUMTYPE=Centroid | |
| 2256 NUM PEAKS=2 | |
| 2257 328.2481 11119434.0 | |
| 2258 329.2519 2068394.0 | |
| 2259 END IONS | |
| 2260 | |
| 2261 BEGIN IONS | |
| 2262 NAME=C152 | |
| 2263 IONMODE=Negative | |
| 2264 RETENTIONTIME=385.78 | |
| 2265 RETENTIONINDEX= | |
| 2266 SPECTRUMTYPE=Centroid | |
| 2267 NUM PEAKS=2 | |
| 2268 409.1497 1369551.0 | |
| 2269 427.1607 2275086.0 | |
| 2270 END IONS | |
| 2271 | |
| 2272 BEGIN IONS | |
| 2273 NAME=C153 | |
| 2274 IONMODE=Negative | |
| 2275 RETENTIONTIME=401.39 | |
| 2276 RETENTIONINDEX= | |
| 2277 SPECTRUMTYPE=Centroid | |
| 2278 NUM PEAKS=2 | |
| 2279 107.0557 2271180.0 | |
| 2280 197.1612 1286942.0 | |
| 2281 END IONS | |
| 2282 | |
| 2283 BEGIN IONS | |
| 2284 NAME=C154 | |
| 2285 IONMODE=Negative | |
| 2286 RETENTIONTIME=388.72 | |
| 2287 RETENTIONINDEX= | |
| 2288 SPECTRUMTYPE=Centroid | |
| 2289 NUM PEAKS=2 | |
| 2290 239.1276 1743749.0 | |
| 2291 286.9585 1645545.0 | |
| 2292 END IONS | |
| 2293 | |
| 2294 BEGIN IONS | |
| 2295 NAME=C155 | |
| 2296 IONMODE=Negative | |
| 2297 RETENTIONTIME=373.67 | |
| 2298 RETENTIONINDEX= | |
| 2299 SPECTRUMTYPE=Centroid | |
| 2300 NUM PEAKS=2 | |
| 2301 507.1617 6285930.0 | |
| 2302 508.1657 1535734.0 | |
| 2303 END IONS | |
| 2304 | |
| 2305 BEGIN IONS | |
| 2306 NAME=C156 | |
| 2307 IONMODE=Negative | |
| 2308 RETENTIONTIME=378.37 | |
| 2309 RETENTIONINDEX= | |
| 2310 SPECTRUMTYPE=Centroid | |
| 2311 NUM PEAKS=2 | |
| 2312 257.2254 3302868.0 | |
| 2313 777.6928 4522421.0 | |
| 2314 END IONS | |
| 2315 | |
| 2316 BEGIN IONS | |
| 2317 NAME=C157 | |
| 2318 IONMODE=Negative | |
| 2319 RETENTIONTIME=473.08 | |
| 2320 RETENTIONINDEX= | |
| 2321 SPECTRUMTYPE=Centroid | |
| 2322 NUM PEAKS=2 | |
| 2323 267.6425 11780168.0 | |
| 2324 534.2949 13399261.0 | |
| 2325 END IONS | |
| 2326 | |
| 2327 BEGIN IONS | |
| 2328 NAME=C158 | |
| 2329 IONMODE=Negative | |
| 2330 RETENTIONTIME=508.15 | |
| 2331 RETENTIONINDEX= | |
| 2332 SPECTRUMTYPE=Centroid | |
| 2333 NUM PEAKS=2 | |
| 2334 380.2992 5790633.0 | |
| 2335 423.2518 1386850.0 | |
| 2336 END IONS | |
| 2337 | |
| 2338 BEGIN IONS | |
| 2339 NAME=C159 | |
| 2340 IONMODE=Negative | |
| 2341 RETENTIONTIME=471.89 | |
| 2342 RETENTIONINDEX= | |
| 2343 SPECTRUMTYPE=Centroid | |
| 2344 NUM PEAKS=2 | |
| 2345 304.2357 21716257.0 | |
| 2346 306.1523 8327492.0 | |
| 2347 END IONS | |
| 2348 | |
| 2349 BEGIN IONS | |
| 2350 NAME=C160 | |
| 2351 IONMODE=Negative | |
| 2352 RETENTIONTIME=465.45 | |
| 2353 RETENTIONINDEX= | |
| 2354 SPECTRUMTYPE=Centroid | |
| 2355 NUM PEAKS=2 | |
| 2356 193.1239 1274413.0 | |
| 2357 295.1974 20379534.0 | |
| 2358 END IONS | |
| 2359 | |
| 2360 BEGIN IONS | |
| 2361 NAME=C161 | |
| 2362 IONMODE=Negative | |
| 2363 RETENTIONTIME=488.7 | |
| 2364 RETENTIONINDEX= | |
| 2365 SPECTRUMTYPE=Centroid | |
| 2366 NUM PEAKS=2 | |
| 2367 667.4214 3075774.0 | |
| 2368 1189.7766 2040172.0 | |
| 2369 END IONS | |
| 2370 | |
| 2371 BEGIN IONS | |
| 2372 NAME=C162 | |
| 2373 IONMODE=Negative | |
| 2374 RETENTIONTIME=471.97 | |
| 2375 RETENTIONINDEX= | |
| 2376 SPECTRUMTYPE=Centroid | |
| 2377 NUM PEAKS=2 | |
| 2378 316.6601 7221684.0 | |
| 2379 393.2201 8389493.0 | |
| 2380 END IONS | |
| 2381 | |
| 2382 BEGIN IONS | |
| 2383 NAME=C163 | |
| 2384 IONMODE=Negative | |
| 2385 RETENTIONTIME=465.16 | |
| 2386 RETENTIONINDEX= | |
| 2387 SPECTRUMTYPE=Centroid | |
| 2388 NUM PEAKS=2 | |
| 2389 422.3267 4962906.0 | |
| 2390 431.3157 12163271.0 | |
| 2391 END IONS | |
| 2392 | |
| 2393 BEGIN IONS | |
| 2394 NAME=C164 | |
| 2395 IONMODE=Negative | |
| 2396 RETENTIONTIME=474.29 | |
| 2397 RETENTIONINDEX= | |
| 2398 SPECTRUMTYPE=Centroid | |
| 2399 NUM PEAKS=2 | |
| 2400 239.1779 8236995.0 | |
| 2401 398.3268 11918127.0 | |
| 2402 END IONS | |
| 2403 | |
| 2404 BEGIN IONS | |
| 2405 NAME=C165 | |
| 2406 IONMODE=Negative | |
| 2407 RETENTIONTIME=477.74 | |
| 2408 RETENTIONINDEX= | |
| 2409 SPECTRUMTYPE=Centroid | |
| 2410 NUM PEAKS=2 | |
| 2411 249.1858 1576729.0 | |
| 2412 307.15 1941191.0 | |
| 2413 END IONS | |
| 2414 | |
| 2415 BEGIN IONS | |
| 2416 NAME=C166 | |
| 2417 IONMODE=Negative | |
| 2418 RETENTIONTIME=494.51 | |
| 2419 RETENTIONINDEX= | |
| 2420 SPECTRUMTYPE=Centroid | |
| 2421 NUM PEAKS=2 | |
| 2422 355.2846 54372680.0 | |
| 2423 373.2951 6108864.0 | |
| 2424 END IONS | |
| 2425 | |
| 2426 BEGIN IONS | |
| 2427 NAME=C167 | |
| 2428 IONMODE=Negative | |
| 2429 RETENTIONTIME=497.67 | |
| 2430 RETENTIONINDEX= | |
| 2431 SPECTRUMTYPE=Centroid | |
| 2432 NUM PEAKS=2 | |
| 2433 474.3486 2732000.0 | |
| 2434 649.4483 2434649.0 | |
| 2435 END IONS | |
| 2436 | |
| 2437 BEGIN IONS | |
| 2438 NAME=C168 | |
| 2439 IONMODE=Negative | |
| 2440 RETENTIONTIME=498.02 | |
| 2441 RETENTIONINDEX= | |
| 2442 SPECTRUMTYPE=Centroid | |
| 2443 NUM PEAKS=2 | |
| 2444 459.2569 3550909.0 | |
| 2445 539.4163 5285541.0 | |
| 2446 END IONS | |
| 2447 | |
| 2448 BEGIN IONS | |
| 2449 NAME=C169 | |
| 2450 IONMODE=Negative | |
| 2451 RETENTIONTIME=492.45 | |
| 2452 RETENTIONINDEX= | |
| 2453 SPECTRUMTYPE=Centroid | |
| 2454 NUM PEAKS=2 | |
| 2455 732.5452 4526953.0 | |
| 2456 733.5465 1043642.0 | |
| 2457 END IONS | |
| 2458 | |
| 2459 BEGIN IONS | |
| 2460 NAME=C170 | |
| 2461 IONMODE=Negative | |
| 2462 RETENTIONTIME=497.3 | |
| 2463 RETENTIONINDEX= | |
| 2464 SPECTRUMTYPE=Centroid | |
| 2465 NUM PEAKS=2 | |
| 2466 450.3586 4210116.0 | |
| 2467 451.3631 6446370.0 | |
| 2468 END IONS | |
| 2469 | |
| 2470 BEGIN IONS | |
| 2471 NAME=C171 | |
| 2472 IONMODE=Negative | |
| 2473 RETENTIONTIME=467.81 | |
| 2474 RETENTIONINDEX= | |
| 2475 SPECTRUMTYPE=Centroid | |
| 2476 NUM PEAKS=2 | |
| 2477 185.0776 5067455.0 | |
| 2478 200.203 1398415.0 | |
| 2479 END IONS | |
| 2480 | |
| 2481 BEGIN IONS | |
| 2482 NAME=C172 | |
| 2483 IONMODE=Negative | |
| 2484 RETENTIONTIME=457.02 | |
| 2485 RETENTIONINDEX= | |
| 2486 SPECTRUMTYPE=Centroid | |
| 2487 NUM PEAKS=2 | |
| 2488 263.2347 3933284.0 | |
| 2489 615.2633 1132491.0 | |
| 2490 END IONS | |
| 2491 | |
| 2492 BEGIN IONS | |
| 2493 NAME=C173 | |
| 2494 IONMODE=Negative | |
| 2495 RETENTIONTIME=443.89 | |
| 2496 RETENTIONINDEX= | |
| 2497 SPECTRUMTYPE=Centroid | |
| 2498 NUM PEAKS=2 | |
| 2499 370.2956 41596161.0 | |
| 2500 371.304 9966707.0 | |
| 2501 END IONS | |
| 2502 | |
| 2503 BEGIN IONS | |
| 2504 NAME=C174 | |
| 2505 IONMODE=Negative | |
| 2506 RETENTIONTIME=438.81 | |
| 2507 RETENTIONINDEX= | |
| 2508 SPECTRUMTYPE=Centroid | |
| 2509 NUM PEAKS=2 | |
| 2510 330.2563 5274387.0 | |
| 2511 579.2938 6044865.0 | |
| 2512 END IONS | |
| 2513 |