Mercurial > repos > recetox > matchms_formatter

comparison test-data/similarity/fill.mgf @ 0:60f34912b3de draft

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"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
author recetox
date Tue, 22 Mar 2022 16:08:45 +0000
parents
children 966b4134ad12
comparison
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-1:000000000000 0:60f34912b3de
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758 116.0619 120691918.0
759 144.0965 108611017.0
760 145.0982 8354818.0
761 157.0492 41677273.0
762 166.0846 178192881.0
763 167.0832 14989742.0
764 182.0634 130373801.0
765 END IONS
766
767 BEGIN IONS
768 NAME=C035
769 IONMODE=Negative
770 RETENTIONTIME=37.63
771 RETENTIONINDEX=
772 SPECTRUMTYPE=Centroid
773 NUM PEAKS=7
774 112.9034 85545886.0
775 222.8686 13769163.0
776 238.8437 5325572.0
777 240.84 3365303.0
778 280.8314 5214305.0
779 296.8089 2240176.0
780 298.8014 2106450.0
781 END IONS
782
783 BEGIN IONS
784 NAME=C036
785 IONMODE=Negative
786 RETENTIONTIME=37.64
787 RETENTIONINDEX=
788 SPECTRUMTYPE=Centroid
789 NUM PEAKS=7
790 398.7404 8038976.0
791 408.755 8487354.0
792 414.7157 5404259.0
793 464.7339 2837872.0
794 472.6761 3956681.0
795 474.6969 3506445.0
796 532.6307 2766988.0
797 END IONS
798
799 BEGIN IONS
800 NAME=C037
801 IONMODE=Negative
802 RETENTIONTIME=38.66
803 RETENTIONINDEX=
804 SPECTRUMTYPE=Centroid
805 NUM PEAKS=7
806 124.0559 1972246.0
807 168.0896 1964344.0
808 191.0391 31256068.0
809 244.0998 1402698.0
810 318.9532 6922130.0
811 364.9531 3274488.0
812 508.7699 6827792.0
813 END IONS
814
815 BEGIN IONS
816 NAME=C038
817 IONMODE=Negative
818 RETENTIONTIME=17.56
819 RETENTIONINDEX=
820 SPECTRUMTYPE=Centroid
821 NUM PEAKS=7
822 89.94 9040424.0
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