comparison test-data/similarity/fill2.msp @ 0:30e680e555d4 draft

"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
author recetox
date Tue, 22 Mar 2022 16:07:32 +0000
parents
children ba5e9bd05d5b
comparison
equal deleted inserted replaced
-1:000000000000 0:30e680e555d4
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572
573 NAME: C129
574 IONMODE: Negative
575 SPECTRUMTYPE: Centroid
576 RETENTIONTIME: 162.9
577 RETENTIONINDEX: 1289.0625
578 NUM PEAKS: 10
579 142.097311518924 12522986.0
580 142.104697388294 2814864148.0
581 143.101299685112 11032075.0
582 143.104284356294 128121072.0
583 143.107948825571 204793961.0
584 144.101443047392 71052088.0
585 216.123436084195 182901537.0
586 217.125485325482 21248746.0
587 240.029775420271 3695895.0
588 244.118357628305 18691646.0
589
590 NAME: C037
591 IONMODE: Negative
592 SPECTRUMTYPE: Centroid
593 RETENTIONTIME: 164.57
594 RETENTIONINDEX: 1297.760417
595 NUM PEAKS: 35
596 88.065648072109 2909417.0
597 100.05774324508 570828303.0
598 104.052663354691 113057636.0
599 115.039365172821 6912201.0
600 132.039935340714 13068261.0
601 150.084318938918 3273009.0
602 151.057218718849 5621473.0
603 174.101827649603 69576952.0
604 174.121707683095 41793928.0
605 174.129399107662 26043834.0
606 175.074182132731 8755034.0
607 176.080082088973 6953227.0
608 176.115263922415 58860549.0
609 177.087385610171 12117618.0
610 177.112969447331 58005786.0
611 178.071552708833 4329893.0
612 184.102504790013 4927512.0
613 188.037593629224 28574515.0
614 188.055489248915 19926891.0
615 190.052504774761 9071110.0
616 240.087098126988 13755638.0
617 246.115844704042 147165843.0
618 247.11526397017 16371542.0
619 248.112516183694 15630764.0
620 248.125810692553 33707017.0
621 248.131422378151 2161708928.0
622 248.146915664032 18210297.0
623 249.13338272019 294557644.0
624 250.129606017071 227935940.0
625 251.106719477652 21879037.0
626 251.128730170043 22443020.0
627 254.045550223759 639791.0
628 276.123899136767 500776763.0
629 277.126049507598 77562674.0
630 278.122767633947 41927737.0
631
632 NAME: C092
633 IONMODE: Negative
634 SPECTRUMTYPE: Centroid
635 RETENTIONTIME: 171.32
636 RETENTIONINDEX: 1331.919192
637 NUM PEAKS: 15
638 103.03911365735 771061.0
639 124.09959074018 193541.0
640 126.049043747126 4096586.0
641 141.059915567497 19620218.0
642 144.096063050317 12060092.0
643 148.066495896766 181996507.0
644 155.015931149366 7674453.0
645 158.11202192104 38403073.0
646 166.086272073102 4429405.0
647 169.104296895199 9550796.0
648 187.115438656847 10340768.0
649 197.135417224772 385552.0
650 216.14987887989 201390.0
651 242.084161587561 3156471.0
652 292.134042100481 33771571.0
653
654 NAME: C021
655 IONMODE: Negative
656 SPECTRUMTYPE: Centroid
657 RETENTIONTIME: 174.46
658 RETENTIONINDEX: 1347.777778
659 NUM PEAKS: 43
660 72.0264091966997 7472857.0
661 88.0577088714458 75511733.0
662 100.021291862912 145425986.0
663 115.074466691225 16771253.0
664 116.052582380058 482773646.0
665 117.053536429165 30325084.0
666 118.049377960975 14118270.0
667 144.047587075185 25734799.0
668 144.065861001757 21394752.0
669 152.106985820201 1914175.0
670 172.097257258321 132490527.0
671 174.039898822532 56190890.0
672 188.092123859557 2852792256.0
673 189.092734875815 363952910.0
674 190.095005392376 10870144.0
675 192.050464793393 8973928.0
676 204.112556460432 63942318.0
677 204.123376447631 12719839761.0
678 204.134676198312 66737867.0
679 204.139941497902 46318871.0
680 205.122632691615 1150416823.0
681 205.126662299229 458925490.0
682 206.120266399826 887840102.0
683 206.126113762009 75294274.0
684 207.124053272438 77824785.0
685 208.117049207678 12307457.0
686 215.145969010933 4760385.0
687 216.088392455766 405059144.0
688 217.086705454619 37923505.0
689 218.06595654972 27566454.0
690 218.090280660191 42294660.0
691 218.102483700947 814574173.0
692 219.101982405783 183247942.0
693 228.110874054133 11293007.0
694 260.131785679153 11160513.0
695 262.110673670276 31458181.0
696 278.141910039176 689863784.0
697 279.14171697765 106291754.0
698 280.138379911323 68542502.0
699 290.105762618935 8621932.0
700 306.136776606337 161984129.0
701 307.137483661718 26795541.0
702 308.134616672218 10569487.0
703
704 NAME: C016
705 IONMODE: Negative
706 SPECTRUMTYPE: Centroid
707 RETENTIONTIME: 179.44
708 RETENTIONINDEX: 1372.929293
709 NUM PEAKS: 52
710 72.7865413795848 11053016.0
711 76.0213646333752 59206242.0
712 86.0420870540736 225533571.0
713 87.0624776950782 21372082.0
714 94.031968242506 5379284.0
715 99.0624848569809 8373743.0
716 101.065578958178 580382063.0
717 102.065087486925 29099700.0
718 102.068929955634 24457328.0
719 103.062411030714 19116993.0
720 117.07243604453 328676795.0
721 118.072671501619 17259686.0
722 118.076366276482 22067336.0
723 119.070202511149 13483430.0
724 129.08861813606 20358954.0
725 129.092276040002 25640101.0
726 130.06011952178 9655585.0
727 130.067560646277 74460539.0
728 130.085939269477 14047444.0
729 131.051786739069 77155784.0
730 131.057228836848 5892782.0
731 132.053815168466 9945148.0
732 162.07652189767 28278876.0
733 166.071447902565 2131407.0
734 176.091961706958 20359637.0
735 177.039595821552 14107543.0
736 186.112644914298 35742801.0
737 187.083534505033 2872457.0
738 202.107788980815 334102807.0
739 203.091631632482 47452203.0
740 203.107437976876 31819921.0
741 204.078652652347 15905573.0
742 205.075050681063 12835558.0
743 209.110379746737 8896653.0
744 218.138865175698 1509022704.0
745 218.151727223505 14813284.0
746 219.139434277936 162304737.0
747 220.135999858668 122208241.0
748 221.140005152944 9266678.0
749 222.11182652092 5070439.0
750 224.133938402791 5579137.0
751 231.086793174909 17467855.0
752 232.082126936244 4650017.0
753 232.099725623874 5669989.0
754 291.150168877686 853154478.0
755 292.157980784891 403452660.0
756 294.155602988375 31675973.0
757 295.156542751759 3658441.0
758 322.14914268189 3261459.0
759 323.007108119393 35075548.0
760 401.984380095051 5308469.0
761 443.139940152175 432200.0
762
763 NAME: C109
764 IONMODE: Negative
765 SPECTRUMTYPE: Centroid
766 RETENTIONTIME: 182.59
767 RETENTIONINDEX: 1388.838384
768 NUM PEAKS: 13
769 91.0210592896161 3186071.0
770 91.0308926128437 828692.0
771 157.042815523964 652885.0
772 181.079050651957 11261511.0
773 184.16951845831 706455.0
774 195.094798512952 6513457.0
775 212.037060112129 23072042.0
776 242.066085465199 320577.0
777 254.115014641582 6934236.0
778 255.053626966444 1009816.0
779 261.108792784792 6485998.0
780 277.091919009037 7671762.0
781 373.090211119239 3867577.0
782
783 NAME: C079
784 IONMODE: Negative
785 SPECTRUMTYPE: Centroid
786 RETENTIONTIME: 187.28
787 RETENTIONINDEX: 1412.916667
788 NUM PEAKS: 19
789 72.0444096792505 495685.0
790 82.0413366474573 927163.0
791 96.0325790086853 4086928.0
792 109.063839221048 660841.0
793 113.078045394381 4881792.0
794 114.066282604429 6649947.0
795 116.016382711602 342913.0
796 127.075017028619 5205545.0
797 158.081260149311 49026636.0
798 171.119910749544 23889810.0
799 185.099276423105 3908644.0
800 226.058560861294 7414123.0
801 226.149715066788 7427639.0
802 227.103268739546 7222558.0
803 234.097490563006 11943673.0
804 242.126702599274 3787703.0
805 247.062398333072 4793712.0
806 256.208872640311 1544873.0
807 262.092711001871 2142612.0
808
809 NAME: C116
810 IONMODE: Negative
811 SPECTRUMTYPE: Centroid
812 RETENTIONTIME: 193.97
813 RETENTIONINDEX: 1447.760417
814 NUM PEAKS: 12
815 71.0684956641474 2814536.0
816 92.0256664113358 5054330.0
817 98.0600935990143 7885202.0
818 141.096737364068 19292429.0
819 142.096508376031 5479590.0
820 169.091782431502 4293516.0
821 243.134126781181 24495914.0
822 254.069510657139 6437345.0
823 258.158044627866 2676876.0
824 262.075392249003 1098363.0
825 350.144811639914 6984227.0
826 351.147342288197 1435112.0
827
828 NAME: C123
829 IONMODE: Negative
830 SPECTRUMTYPE: Centroid
831 RETENTIONTIME: 195.79
832 RETENTIONINDEX: 1457.239583
833 NUM PEAKS: 11
834 326.965460704079 981202548.0
835 327.965399182548 227494183.0
836 328.962357518322 179959115.0
837 345.975770092518 51651785.0
838 382.974038891602 99511187.0
839 399.00501819882 198252048.0
840 400.00553554177 58792094.0
841 416.036541983517 121783910.0
842 503.107808676698 108443985.0
843 504.107911109989 44649761.0
844 505.105001235918 33970980.0
845
846 NAME: C135
847 IONMODE: Negative
848 SPECTRUMTYPE: Centroid
849 RETENTIONTIME: 196.35
850 RETENTIONINDEX: 1460.15625
851 NUM PEAKS: 10
852 71.0729911892847 3516033.0
853 110.096437821431 1408800.0
854 113.107370559878 321446.0
855 141.10212471319 289200.0
856 153.078398991036 364289.0
857 166.086276338808 2738338.0
858 255.086449502676 11886908.0
859 320.116138181218 12175594.0
860 321.115969304435 2230188.0
861 322.112756599316 1174429.0
862
863 NAME: C134
864 IONMODE: Negative
865 SPECTRUMTYPE: Centroid
866 RETENTIONTIME: 198.97
867 RETENTIONINDEX: 1473.802083
868 NUM PEAKS: 10
869 97.0760817741759 5103600.0
870 128.070546450242 2226147.0
871 131.015985831035 2314928.0
872 136.057695821624 2593658.0
873 171.047126292524 3614137.0
874 189.112580596878 15749797.0
875 191.109885360574 11802710.0
876 293.121950302718 9281141.0
877 319.085531070223 2093158.0
878 335.115837502972 1384885.0
879
880 NAME: C070
881 IONMODE: Negative
882 SPECTRUMTYPE: Centroid
883 RETENTIONTIME: 203.45
884 RETENTIONINDEX: 1497.135417
885 NUM PEAKS: 21
886 71.9900326310932 6882877.0
887 101.053667432486 6051292.0
888 102.06061903059 1818101.0
889 112.021318692472 2517880.0
890 113.052896415811 75701991.0
891 128.052574268696 502600743.0
892 129.054286261263 44406612.0
893 131.063300115294 45946331.0
894 142.01388407658 2322667.0
895 144.047505823991 8278434.0
896 153.047874024225 7510767.0
897 185.073926438887 15939045.0
898 199.089629716688 6261237.0
899 201.087937064203 54945486.0
900 205.107649731722 67815083.0
901 228.098242716664 44838149.0
902 243.098163229307 575756517.0
903 244.098153884446 53805751.0
904 251.157655456707 9494848.0
905 256.092914534743 60637508.0
906 284.137069774512 9201126.0
907
908 NAME: C056
909 IONMODE: Negative
910 SPECTRUMTYPE: Centroid
911 RETENTIONTIME: 205.48
912 RETENTIONINDEX: 1507.956989
913 NUM PEAKS: 24
914 70.0287715050893 30341458.0
915 85.0341997227367 4780405.0
916 119.015813274591 7049309.0
917 163.096946232205 225064880.0
918 164.096219979202 46176025.0
919 174.076317638024 73403292.0
920 176.073161599084 6860159.0
921 176.092137848142 83184591.0
922 188.128328885163 558016691.0
923 189.127936313374 53688812.0
924 189.132083631778 44021388.0
925 190.10765138533 29593136.0
926 190.125178313866 39558923.0
927 191.05522813377 15113844.0
928 218.102439661594 899460869.0
929 232.048693010749 2051571.0
930 232.118057323857 4868334161.0
931 233.117365463814 424200811.0
932 234.114389680817 361898004.0
933 235.119671324032 25337899.0
934 244.081887142168 41965938.0
935 262.147289626782 70616606.0
936 306.136800140734 135096829.0
937 349.155695570993 33453724.0
938
939 NAME: C062
940 IONMODE: Negative
941 SPECTRUMTYPE: Centroid
942 RETENTIONTIME: 206.31
943 RETENTIONINDEX: 1512.419355
944 NUM PEAKS: 23
945 86.0056909465919 8452040.0
946 93.5419202753569 5081560.0
947 102.5470933347 5979045.0
948 107.539313230004 7150696.0
949 114.051798614582 14388225.0
950 121.536532340708 6276410.0
951 126.036942603407 8233105.0
952 145.091551391841 13002000.0
953 154.774682962936 7956466.0
954 155.602271899135 7638282.0
955 156.069741806244 16611073.0
956 156.075333724454 34373373.0
957 156.083876756477 5636111315.0
958 156.567479042802 6877053.0
959 157.082808339765 200826888.0
960 165.09351209803 121463218.0
961 170.044887924478 7099501.0
962 204.051108337162 48718177.0
963 228.123249994902 46849947.0
964 259.100109927049 74761330.0
965 260.102161911685 6144509.0
966 276.107480453496 12305122.0
967 308.134719170038 25382855.0
968
969 NAME: C082
970 IONMODE: Negative
971 SPECTRUMTYPE: Centroid
972 RETENTIONTIME: 209.68
973 RETENTIONINDEX: 1530.537634
974 NUM PEAKS: 18
975 73.0319927340279 8198388.0
976 83.0059991909515 2023427.0
977 83.0603684872732 20013745.0
978 102.049430020269 35122484.0
979 108.080782369707 3275505.0
980 130.044566659181 9369153.0
981 141.052237889715 11350141.0
982 141.056885220233 17761527.0
983 174.09449672992 37198495.0
984 175.097783361047 8080387.0
985 182.050516431117 1410592.0
986 185.050291063008 25790902.0
987 221.09907019168 18278791.0
988 224.084560712156 2698139.0
989 257.13745816984 7431306.0
990 277.110050136138 4237505.0
991 319.121189747262 55334567.0
992 324.986273501567 70758767.0
993
994 NAME: C061
995 IONMODE: Negative
996 SPECTRUMTYPE: Centroid
997 RETENTIONTIME: 213.09
998 RETENTIONINDEX: 1548.870968
999 NUM PEAKS: 23
1000 78.5367372017303 1797149.0
1001 82.2924732499891 4111902.0
1002 90.0369934314469 57987294.0
1003 97.0468961053805 8793424.0
1004 99.0373483938449 9408244.0
1005 115.081255022638 275891309.0
1006 115.086340397477 5885453.0
1007 116.070147639043 33402202.0
1008 121.084198905135 1929733.0
1009 140.052671074775 138921642.0
1010 141.029742924324 3647687.0
1011 143.075945775749 107485870.0
1012 144.075613145092 4455277.0
1013 145.072880365499 5176239.0
1014 187.108032314108 20627789.0
1015 216.11100114062 14633876.0
1016 226.081946372855 4136890.0
1017 241.105955795097 7094422.0
1018 252.110705093608 630092.0
1019 313.1458465095 1747775.0
1020 314.152410985193 165757093.0
1021 329.177021039798 305909725.0
1022 331.174301916418 25239957.0
1023
1024 NAME: C133
1025 IONMODE: Negative
1026 SPECTRUMTYPE: Centroid
1027 RETENTIONTIME: 215.23
1028 RETENTIONINDEX: 1560.376344
1029 NUM PEAKS: 10
1030 91.021060886597 5448854.0
1031 156.047426344874 8766455.0
1032 157.104145909864 8068462.0
1033 196.078846420363 12804619.0
1034 212.07282327289 15728539.0
1035 239.066716294054 18039112.0
1036 246.084453118727 6272562.0
1037 261.144864576393 19234814.0
1038 313.074094293766 2545854.0
1039 371.16349876901 7174347.0
1040
1041 NAME: C087
1042 IONMODE: Negative
1043 SPECTRUMTYPE: Centroid
1044 RETENTIONTIME: 216.37
1045 RETENTIONINDEX: 1566.505376
1046 NUM PEAKS: 16
1047 81.0699122799464 7193809.0
1048 112.039302366491 1146478.0
1049 115.049815033535 1405137.0
1050 118.066005779452 12820052.0
1051 141.047770181165 6389666.0
1052 162.094329219969 28676112.0
1053 185.110256993159 6485633.0
1054 198.058176229048 8901018.0
1055 215.102937476032 27277105.0
1056 228.074873817903 7042358.0
1057 235.162429342164 423207.0
1058 237.141930348336 11587469.0
1059 247.117847991445 9017143.0
1060 254.113904058049 13409875.0
1061 265.173124190829 863821.0
1062 300.136609336093 35744306.0
1063
1064 NAME: C025
1065 IONMODE: Negative
1066 SPECTRUMTYPE: Centroid
1067 RETENTIONTIME: 220.4
1068 RETENTIONINDEX: 1588.172043
1069 NUM PEAKS: 39
1070 86.0546034160969 4233859.0
1071 98.0546561234615 5879036.0
1072 98.0600901779517 9026381.0
1073 99.0678953395317 3983913.0
1074 101.029104891615 990685.0
1075 101.995140172271 1181568.0
1076 114.073423022262 62662130.0
1077 127.03222555692 4696514.0
1078 127.081178438345 10999132.0
1079 128.040085859381 724327.0
1080 130.060045045821 3511701.0
1081 143.06934696188 19506953.0
1082 153.060394297876 3832725.0
1083 154.992258346541 18574763.0
1084 156.034779027088 4913091.0
1085 157.089745216771 178506862.0
1086 158.089661285724 20609457.0
1087 181.079057613068 5811601.0
1088 182.969290052984 13920969.0
1089 209.098070023574 2202098.0
1090 211.000467232136 118673095.0
1091 211.107760650974 15493946.0
1092 211.99957568137 9779204.0
1093 212.117038306675 3905392.0
1094 212.997496375256 7444415.0
1095 227.03220797037 13974530.0
1096 229.011784503816 11805841.0
1097 237.016166597947 11812605.0
1098 239.055356959183 6727059.0
1099 240.050700289777 3245809.0
1100 240.058987122192 2666957.0
1101 253.047743932437 8591863.0
1102 257.113532295932 37477567.0
1103 258.097829676371 104316303.0
1104 283.061035728532 1483604.0
1105 329.15312761282 16717103.0
1106 341.207275674194 849848.0
1107 342.149108121168 8368804.0
1108 343.149777233033 14251513.0
1109
1110 NAME: C096
1111 IONMODE: Negative
1112 SPECTRUMTYPE: Centroid
1113 RETENTIONTIME: 223.06
1114 RETENTIONINDEX: 1602.017544
1115 NUM PEAKS: 14
1116 82.0107548635811 9409327.0
1117 117.084209863329 26414161.0
1118 128.08121010612 11831267.0
1119 141.096787050115 32937919.0
1120 158.095997560581 9462182.0
1121 162.112735606381 146100308.0
1122 164.109582135613 51865580.0
1123 171.094656479863 45612419.0
1124 214.071176900397 389879666.0
1125 215.069236573814 22220747.0
1126 215.115932614795 17902913.0
1127 274.165129243192 14279403.0
1128 348.207206883638 47756861.0
1129 405.187841030246 11137480.0
1130
1131 NAME: C009
1132 IONMODE: Negative
1133 SPECTRUMTYPE: Centroid
1134 RETENTIONTIME: 224.1
1135 RETENTIONINDEX: 1606.578947
1136 NUM PEAKS: 79
1137 70.0651474139309 139112424.0
1138 71.0684902270135 7777594.0
1139 74.0420803705567 172011602.0
1140 76.0389064937465 12494321.0
1141 80.0494584523359 10633142.0
1142 83.0311553711466 9481154.0
1143 83.0365713984882 11928816.0
1144 84.0444187108419 781379004.0
1145 85.0475543482753 29552029.0
1146 92.0526415544073 23291723.0
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1153 113.065475349947 29433959.0
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1157 129.084336283751 31726391.0
1158 129.088599822012 154452062.0
1159 129.092243327164 193059260.0
1160 130.085882872455 105974980.0
1161 130.091953806764 12436064.0
1162 142.104728421893 1378680520.0
1163 143.099515155453 17230789.0
1164 143.104305019259 69973033.0
1165 143.107987575828 104807155.0
1166 144.101457214594 47262430.0
1167 144.107604158414 87979954.0
1168 147.09517119681 9341143.0
1169 154.068219317632 44835481.0
1170 157.067782241913 61769597.0
1171 157.115438273807 22409692.0
1172 158.063016986513 148590120.0
1173 162.089012638044 38410164.0
1174 163.112375602318 67297177.0
1175 163.116061438833 29137485.0
1176 166.071517232473 2637997.0
1177 169.091734615225 7240314.0
1178 169.115450239152 13324067.0
1179 176.091971992079 11420700.0
1180 198.076865393911 11317317.0
1181 202.107669445246 99282092.0
1182 216.050840264917 25368748.0
1183 216.123457137849 89587360.0
1184 217.125002543748 19623810.0
1185 227.103101110301 34734291.0
1186 230.102912184687 1431679218.0
1187 232.099695135799 98655211.0
1188 236.131918237478 28315772.0
1189 240.087635671579 8305788.0
1190 241.154860899519 32994751.0
1191 243.134204923439 100268651.0
1192 244.118620160097 81705892.0
1193 245.126148690942 84188858.0
1194 246.118713398318 68986602.0
1195 246.13394892703 10503956854.0
1196 247.135560589937 1079597157.0
1197 248.130785854386 761465084.0
1198 249.135473253515 64125725.0
1199 258.157992411573 33386236.0
1200 259.141670012822 42922962.0
1201 260.094530835753 26697267.0
1202 273.121623153072 26043763.0
1203 274.12860026311 102801870.0
1204 275.131105637184 14079930.0
1205 330.136661226378 17935324.0
1206 332.115055198097 33155258.0
1207 348.147799838405 311563864.0
1208 349.148833391025 70017143.0
1209 349.20868703784 42455220.0
1210 350.144280194407 39912646.0
1211 350.2040314465 121155420.0
1212 363.171374525576 196318825.0
1213 363.175076842359 32440531.0
1214 364.172728479024 53615436.0
1215 365.168566275393 17869772.0
1216
1217 NAME: C075
1218 IONMODE: Negative
1219 SPECTRUMTYPE: Centroid
1220 RETENTIONTIME: 226.89
1221 RETENTIONINDEX: 1618.815789
1222 NUM PEAKS: 20
1223 92.0621124439044 10083533.0
1224 94.041338414013 192196101.0
1225 120.080733019764 8732378.0
1226 121.046156939614 7792000.0
1227 138.939679661215 30844031.0
1228 149.077999541009 22086155.0
1229 163.096956649724 70327395.0
1230 179.052255306392 3718901.0
1231 188.092139619269 147095698.0
1232 191.112132679554 20287841.0
1233 192.108269037745 12601755.0
1234 213.123564793047 28257643.0
1235 216.087377236004 269085629.0
1236 218.090159449034 61892522.0
1237 220.100648535991 65148322.0
1238 251.091630360367 5777363.0
1239 278.10189248891 24583124.0
1240 303.172997368838 54371508.0
1241 304.174150128002 15500826.0
1242 313.17649026124 11010053.0
1243
1244 NAME: C052
1245 IONMODE: Negative
1246 SPECTRUMTYPE: Centroid
1247 RETENTIONTIME: 227.17
1248 RETENTIONINDEX: 1620.04386
1249 NUM PEAKS: 25
1250 89.0385785189927 5289960.0
1251 91.0542471805262 67458422.0
1252 93.0155621223373 4098805.0
1253 105.015584966658 3012624.0
1254 110.908351406181 4593624.0
1255 135.062511368625 7294017.0
1256 177.07315702685 43212792.0
1257 178.068584575157 5376535.0
1258 178.076422680562 4302858.0
1259 192.115164059078 11101397.0
1260 192.120007409595 1267172163.0
1261 193.11932119015 23188938.0
1262 193.123763215916 144215709.0
1263 194.116446541561 41037440.0
1264 194.122672611226 4707634.0
1265 194.12710782654 5797748.0
1266 195.120177910678 13144019.0
1267 204.081391628785 36302451.0
1268 218.102474915436 1785729118.0
1269 235.059688439171 3645356.0
1270 250.108197056616 1400565.0
1271 266.139462128342 139966509.0
1272 267.122863966466 29163329.0
1273 267.143692953673 18410343.0
1274 268.137066384738 10249441.0
1275
1276 NAME: C130
1277 IONMODE: Negative
1278 SPECTRUMTYPE: Centroid
1279 RETENTIONTIME: 232.72
1280 RETENTIONINDEX: 1644.385965
1281 NUM PEAKS: 10
1282 100.075746906716 227381.0
1283 196.053807543446 3811893.0
1284 199.126171249958 3392526.0
1285 211.076648184639 6499392.0
1286 214.063472855919 256462.0
1287 256.129374078582 12900570.0
1288 288.144402541251 37827726.0
1289 300.175266781577 3697466.0
1290 345.172121835715 28905140.0
1291 451.076705770543 6076963.0
1292
1293 NAME: C015
1294 IONMODE: Negative
1295 SPECTRUMTYPE: Centroid
1296 RETENTIONTIME: 235.46
1297 RETENTIONINDEX: 1656.403509
1298 NUM PEAKS: 52
1299 81.5257171655814 2342972.0
1300 116.088989702621 366927024.0
1301 117.088566719023 18779495.0
1302 117.092247982898 18608741.0
1303 118.085751190676 23496966.0
1304 125.053035248521 14136115.0
1305 132.075896410065 24306761.0
1306 132.083778515899 333711935.0
1307 132.089601787336 6373323.0
1308 133.0728587722 4553810.0
1309 133.087207459741 24346673.0
1310 134.081033973201 12128052.0
1311 140.076335084148 17890106.0
1312 142.085157136161 42269261.0
1313 143.081040162173 15954185.0
1314 144.047595179679 28255023.0
1315 159.070534507671 80444141.0
1316 160.070519411508 3549888.0
1317 161.067881506645 3548441.0
1318 162.05799001229 1293169.0
1319 169.078970408662 17221701.0
1320 174.076337630878 18631839.0
1321 190.088324913941 66324581.0
1322 190.125274394584 33897102.0
1323 199.072442726318 13117215.0
1324 202.073511069937 96350788.0
1325 204.051039571696 31718126.0
1326 211.027422474273 15347040.0
1327 227.066888327164 10205330.0
1328 228.050593694055 6971599.0
1329 230.129433815993 22675313.0
1330 231.133869389741 403614327.0
1331 233.13059513764 91994730.0
1332 234.13482856447 3513995.0
1333 238.038440194626 10702414.0
1334 239.037391060781 1905808.0
1335 240.034854912293 7657400.0
1336 242.102443600672 14934741.0
1337 244.081901779873 12468537.0
1338 245.089202126751 44768875.0
1339 252.053950481703 757229.0
1340 258.120872110843 149452229.0
1341 316.121419149075 38568672.0
1342 317.12223565963 7838937.0
1343 318.119318279455 4981470.0
1344 326.086565186981 916483.0
1345 326.108780005433 171435050.0
1346 326.117824946546 2488856.0
1347 327.10935199278 40422930.0
1348 333.147777169734 16086741.0
1349 422.166173727523 2682476.0
1350 423.167519530481 10948363.0
1351
1352 NAME: C060
1353 IONMODE: Negative
1354 SPECTRUMTYPE: Centroid
1355 RETENTIONTIME: 241.88
1356 RETENTIONINDEX: 1684.561404
1357 NUM PEAKS: 23
1358 85.05222588766 7966650.0
1359 128.076378260131 2061948.0
1360 189.087452773401 754232978.0
1361 197.097703441197 2371913.0
1362 230.078679122507 8088247.0
1363 237.016058554141 10264352.0
1364 253.048021169782 7105185.0
1365 254.047839604727 1185523.0
1366 255.044617691864 8575686.0
1367 266.180878918385 1274800.0
1368 269.079292685435 21714435.0
1369 272.076709672255 1934902.0
1370 285.156476345942 3743706.0
1371 295.058322185509 948531.0
1372 295.103218012876 7993300.0
1373 311.089639571611 8934435.0
1374 312.091352265621 2372037.0
1375 343.097064706125 631810.0
1376 382.974072779383 9498266.0
1377 399.004945989705 2332675.0
1378 399.123836885659 1445946.0
1379 417.212009570941 1577094.0
1380 418.21324904623 440038.0
1381
1382 NAME: C131
1383 IONMODE: Negative
1384 SPECTRUMTYPE: Centroid
1385 RETENTIONTIME: 244.17
1386 RETENTIONINDEX: 1694.605263
1387 NUM PEAKS: 10
1388 84.0769703759275 1279290.0
1389 84.0808081884444 132577865.0
1390 145.031573135631 4631612.0
1391 171.131269627093 23323209.0
1392 237.129322964785 6948727.0
1393 255.086493033151 4966255.0
1394 268.129737822796 15202361.0
1395 304.139310254102 39021975.0
1396 362.223955407211 23093525.0
1397 363.225110247131 7697915.0
1398
1399 NAME: C132
1400 IONMODE: Negative
1401 SPECTRUMTYPE: Centroid
1402 RETENTIONTIME: 246
1403 RETENTIONINDEX: 1702.564103
1404 NUM PEAKS: 10
1405 98.9899840676006 782715.0
1406 129.01886344513 540545.0
1407 179.078273860553 5815646.0
1408 188.146715893404 240881.0
1409 224.084819531774 6920349.0
1410 230.042788908469 998764.0
1411 261.079297941542 4484877.0
1412 277.07305867861 2843306.0
1413 407.179935116116 4061405.0
1414 416.168773053585 722583.0
1415
1416 NAME: C073
1417 IONMODE: Negative
1418 SPECTRUMTYPE: Centroid
1419 RETENTIONTIME: 249.86
1420 RETENTIONINDEX: 1719.059829
1421 NUM PEAKS: 20
1422 118.07263396305 11974885.0
1423 118.07632305467 15811544.0
1424 119.070403949269 36014287.0
1425 127.074714634422 9075716.0
1426 139.068624212545 20293043.0
1427 192.066761169272 2255499.0
1428 196.039622469857 620641.0
1429 220.125567491146 5770632.0
1430 224.034475028308 947707.0
1431 227.132405311917 1727367.0
1432 227.139540084923 231163365.0
1433 229.137992815184 8282330.0
1434 234.057936255385 412959.0
1435 244.062456657991 8618236.0
1436 308.124586118414 9285842.0
1437 317.188996733411 36082148.0
1438 318.089992574514 4879221.0
1439 318.190275518303 12356953.0
1440 410.135497302167 1156699.0
1441 425.159754117858 2103613.0
1442
1443 NAME: C090
1444 IONMODE: Negative
1445 SPECTRUMTYPE: Centroid
1446 RETENTIONTIME: 252.45
1447 RETENTIONINDEX: 1730.128205
1448 NUM PEAKS: 15
1449 78.0150283718037 11094241.0
1450 82.0413600726015 3472205.0
1451 83.0729497777523 5495064.0
1452 95.0313039040079 11753136.0
1453 96.0389820742677 2623890.0
1454 112.070242473693 5698542.0
1455 117.072956558563 28044543.0
1456 154.044421378019 3547510.0
1457 195.010773113233 12378140.0
1458 199.060397208906 8760277.0
1459 201.039667908511 9705769.0
1460 253.082060981434 14041241.0
1461 254.090457480476 61475546.0
1462 269.04087990068 6486141.0
1463 286.080061254042 2048356.0
1464
1465 NAME: C091
1466 IONMODE: Negative
1467 SPECTRUMTYPE: Centroid
1468 RETENTIONTIME: 252.94
1469 RETENTIONINDEX: 1732.222222
1470 NUM PEAKS: 15
1471 71.2636758338441 898184.0
1472 81.0155661431584 1832694.0
1473 93.7758955290158 484708.0
1474 95.0128057396915 14706472.0
1475 109.999867429631 990675.0
1476 168.023590336606 1646726.0
1477 170.034668364953 822390.0
1478 182.03921140829 1101294.0
1479 212.045703007572 17874219.0
1480 228.099516911932 9450707.0
1481 245.029398730581 580122.0
1482 286.063163225558 19610744.0
1483 376.112012067939 36159802.0
1484 377.106943870878 34336936.0
1485 378.108948843125 6846802.0
1486
1487 NAME: C007
1488 IONMODE: Negative
1489 SPECTRUMTYPE: Centroid
1490 RETENTIONTIME: 255.61
1491 RETENTIONINDEX: 1743.632479
1492 NUM PEAKS: 119
1493 74.7662269069405 28659501.0
1494 75.0165394537007 5408289.0
1495 75.2655505326648 4908677.0
1496 78.7739813661436 5229360.0
1497 85.0760482452284 4319555.0
1498 85.2687580277009 4315013.0
1499 89.2764898057007 16566122.0
1500 89.2782060538666 3983713.0
1501 89.5264619681224 2672321.0
1502 96.783784673388 8099779.0
1503 101.041713200275 48886049.0
1504 102.041281120941 2174203.0
1505 115.020972177741 7215871.0
1506 119.052038377979 7917522.0
1507 136.972071099239 17080140.0
1508 151.033807130423 14926420.0
1509 154.982575945852 9596911.0
1510 164.958667018442 13730826.0
1511 166.055671420874 4951709.0
1512 178.974200966683 10155080.0
1513 180.953525448273 27142382.0
1514 180.990025741337 6341291.0
1515 181.952867865781 7869793.0
1516 182.969329530525 23307021.0
1517 192.000421566834 9112943.0
1518 192.989918180386 21827190.0
1519 192.99778111437 20801165.0
1520 193.016544790042 12470944.0
1521 193.979653193508 6913030.0
1522 195.005686443198 35570417.0
1523 196.00493437914 5265356.0
1524 196.984750877344 24453721.0
1525 197.002488746995 3118590.0
1526 198.964265232886 21423295.0
1527 210.028921411283 5615519.0
1528 210.991145612806 26675189.0
1529 211.000507408305 293063162.0
1530 211.00515948695 12209486.0
1531 211.999398375777 34586347.0
1532 212.004861571041 12406371.0
1533 212.979805239834 5609871.0
1534 212.9975042017 26197580.0
1535 213.003978112468 10831067.0
1536 225.01612303133 22333511.0
1537 225.052797955866 206057626.0
1538 226.060565492441 3389954.0
1539 227.032302406818 46629127.0
1540 227.052799888971 12772356.0
1541 228.031372303201 28605623.0
1542 229.012120567941 23810729.0
1543 229.028836269725 18833607.0
1544 241.047341352483 207906852.0
1545 242.046565131286 15825096.0
1546 254.972846682584 13531396.0
1547 255.008483887711 15342672.0
1548 256.071141377417 81909414.0
1549 268.987902111948 14254738.0
1550 269.023065645751 20126306.0
1551 283.038975322888 87835245.0
1552 283.077223603392 4240542.0
1553 284.038765682836 36332439.0
1554 284.047847560166 16876475.0
1555 285.020856469373 71628001.0
1556 285.037117625006 14819510.0
1557 286.018722030541 14289135.0
1558 287.015806645616 11277972.0
1559 298.063602401123 17817095.0
1560 298.100712112463 63986131.0
1561 299.071055799686 2128008628.0
1562 299.103103081617 14588373.0
1563 300.071132690599 357671126.0
1564 300.095600251131 11128855.0
1565 301.067944921725 214638799.0
1566 302.066308739279 27960543.0
1567 303.063902404178 11641821.0
1568 313.08710828569 37410519.0
1569 314.094913595715 111538353.0
1570 315.102720545797 468877656.0
1571 316.102908849083 85560040.0
1572 317.098942117172 45726750.0
1573 318.100567641456 7513554.0
1574 327.066907433148 12653985.0
1575 328.110559855461 95255437.0
1576 329.108582685471 12644630.0
1577 330.106930570537 10213951.0
1578 341.081343197731 276960092.0
1579 341.11888367427 11101014.0
1580 342.082160954159 54098458.0
1581 342.127028260288 21039635.0
1582 343.076683676259 26248533.0
1583 343.125939758345 5494072.0
1584 344.079681545077 3228995.0
1585 355.096548498127 5639384.0
1586 357.053452616687 770518.0
1587 357.112852227816 1419826813.0
1588 358.114507264212 308133709.0
1589 359.109392208617 135315300.0
1590 360.10918270164 21795318.0
1591 361.106769057519 2647198.0
1592 370.121305630407 77253072.0
1593 372.117239703046 7842658.0
1594 373.090157801307 154307401.0
1595 374.090145897151 40529125.0
1596 375.086930821141 14879746.0
1597 376.088465780235 3201446.0
1598 387.141801800076 194716594.0
1599 388.14272049295 54288141.0
1600 389.121794330345 51552580.0
1601 389.139716910748 26455325.0
1602 390.122870081354 15811973.0
1603 390.14085468152 4743299.0
1604 391.117665384179 7388552.0
1605 415.13661717973 18122344.0
1606 416.13820741755 5229472.0
1607 417.134378998117 2097641.0
1608 445.147054985178 149695331.0
1609 446.149250684875 44505012.0
1610 447.142729535056 21358582.0
1611 448.145457454299 5816090.0
1612
1613 NAME: C074
1614 IONMODE: Negative
1615 SPECTRUMTYPE: Centroid
1616 RETENTIONTIME: 259.17
1617 RETENTIONINDEX: 1758.846154
1618 NUM PEAKS: 20
1619 126.016080002086 4941917.0
1620 132.075657169181 8969723.0
1621 139.068614200867 114965772.0
1622 140.070739211412 18704516.0
1623 145.091295619301 18230547.0
1624 152.068006005621 26032026.0
1625 157.079298013789 22097833.0
1626 167.063446035077 7637909.0
1627 191.000754021402 30068102.0
1628 192.980190014293 39898049.0
1629 207.032162869352 138353933.0
1630 211.107609948742 17306549.0
1631 213.087465978544 12814464.0
1632 229.118682134766 92452868.0
1633 245.149855924245 73216391.0
1634 247.147596335992 25215552.0
1635 274.147526914299 12582873.0
1636 291.098090536527 4165271.0
1637 315.119061879474 14036802.0
1638 347.162432204271 48228925.0
1639
1640 NAME: C104
1641 IONMODE: Negative
1642 SPECTRUMTYPE: Centroid
1643 RETENTIONTIME: 264.31
1644 RETENTIONINDEX: 1780.811966
1645 NUM PEAKS: 14
1646 75.274260337116 699148.0
1647 75.27558682315 5135097.0
1648 99.0315328814508 1410372.0
1649 122.034410844584 455432.0
1650 160.042418272986 17477008.0
1651 274.110914832273 2457484.0
1652 295.081498204371 2000098.0
1653 301.103332562336 46324742.0
1654 302.105678901839 9590366.0
1655 303.10023720627 7032879.0
1656 304.102696498011 2280656.0
1657 324.192115011795 2775056.0
1658 359.128528945856 2952806.0
1659 374.15040425928 3490915.0
1660
1661 NAME: C102
1662 IONMODE: Negative
1663 SPECTRUMTYPE: Centroid
1664 RETENTIONTIME: 267.02
1665 RETENTIONINDEX: 1792.393162
1666 NUM PEAKS: 14
1667 109.298604392835 1034634.0
1668 166.043193321143 11953324.0
1669 199.035036188672 4700564.0
1670 222.052027007846 2726301.0
1671 229.107536969293 150436733.0
1672 238.0831600588 9351295.0
1673 257.102413670521 109358964.0
1674 283.103764127 22340471.0
1675 303.162766165312 15455757.0
1676 347.152119752122 37979848.0
1677 437.201812202121 121758746.0
1678 438.204194739185 37860758.0
1679 439.199135686108 16033423.0
1680 440.201030893375 3896022.0
1681
1682 NAME: C103
1683 IONMODE: Negative
1684 SPECTRUMTYPE: Centroid
1685 RETENTIONTIME: 267.41
1686 RETENTIONINDEX: 1794.059829
1687 NUM PEAKS: 14
1688 136.099464581649 2199013.0
1689 144.101480389314 26532517.0
1690 181.025025013841 4163610.0
1691 213.075188202188 28215792.0
1692 249.062202030633 1380043.0
1693 265.093342623886 74859942.0
1694 265.096800970161 8020555.0
1695 266.095756419887 11358859.0
1696 267.089432816724 37684790.0
1697 280.117123586956 25151233.0
1698 287.057739285826 56405501.0
1699 383.175899768923 17857305.0
1700 405.187787045372 20375377.0
1701 406.189298775194 15632795.0
1702
1703 NAME: C001
1704 IONMODE: Negative
1705 SPECTRUMTYPE: Centroid
1706 RETENTIONTIME: 268.99
1707 RETENTIONINDEX: 1800.989583
1708 NUM PEAKS: 160
1709 72.0389617714179 56416115.0
1710 76.0256553376053 49220925.0
1711 76.0295086554853 17884882.0
1712 77.0053275563467 26589154.0
1713 83.0127800769552 72764369.0
1714 83.031134902227 10179311.0
1715 86.7773291870617 23734479.0
1716 87.0624748029292 7498889.0
1717 93.7759098981009 12284319.0
1718 97.0468722156908 49324192.0
1719 99.0260406168298 118701269.0
1720 103.002983736029 18397693.0
1721 106.894754414816 8004841.0
1722 111.007632749245 107433124.0
1723 117.018501739727 52467543.0
1724 131.034273710906 359133132.0
1725 133.013526291087 493499083.0
1726 133.031172492717 17650343.0
1727 135.01033343891 29110842.0
1728 135.029247366931 21569969.0
1729 135.046364355946 10818621.0
1730 136.941594609304 50570227.0
1731 138.939618370595 53903907.0
1732 139.002532294836 49931624.0
1733 139.056768289213 98175121.0
1734 141.036538750422 115707572.0
1735 141.084158860874 74023269.0
1736 142.104641843961 441884594.0
1737 143.015834635052 48987316.0
1738 143.052340331432 420396997.0
1739 143.10428859825 31762860.0
1740 143.107947705172 44080773.0
1741 145.049469553608 40966670.0
1742 147.065597668017 3426705457.0
1743 148.066687703799 456715218.0
1744 149.044686744287 2485055493.0
1745 149.051982158561 15135407.0
1746 149.062214633403 244773900.0
1747 149.068434618167 23246006.0
1748 150.04583614918 369731636.0
1749 150.064532557665 20279235.0
1750 151.023931616767 305971501.0
1751 151.041613361558 216314524.0
1752 152.023573104507 39184709.0
1753 155.052170983022 14728905.0
1754 157.031392134453 61582084.0
1755 157.049811244805 28679691.0
1756 159.046994608899 9542515.0
1757 159.112043200462 43124161.0
1758 163.096936467212 259054581.0
1759 164.096242459652 39496478.0
1760 165.093540352647 75534890.0
1761 167.05522365918 82592725.0
1762 168.054993436637 9530750.0
1763 169.031329681702 63326558.0
1764 171.010634911705 74220303.0
1765 173.044685418755 35853332.0
1766 177.039641177724 20626924.0
1767 183.047097257536 4559958550.0
1768 183.057249262756 17431309.0
1769 184.046358120662 106511561.0
1770 184.050443416 414898624.0
1771 185.026407772471 30996555.0
1772 185.043991660752 154888217.0
1773 185.050867499577 29446895.0
1774 185.062853536402 75038250.0
1775 186.047199218887 20807119.0
1776 191.037148572664 28320845.0
1777 191.05526102196 16327982.0
1778 195.094677873356 7614346.0
1779 197.059793589486 8688331.0
1780 201.039634295494 20060252.0
1781 201.057764327742 27419375.0
1782 211.041705745044 1447339674.0
1783 212.041045979022 25597653.0
1784 212.046025666707 122581545.0
1785 213.021020474351 91489413.0
1786 213.0391072084 57195084.0
1787 214.144261002848 35457490.0
1788 215.05549778228 201625005.0
1789 215.091952078065 46374386.0
1790 216.055525333011 17909976.0
1791 217.03448664281 74746711.0
1792 217.052170715974 20626232.0
1793 218.071997852185 19993432.0
1794 219.067881752754 18067688.0
1795 222.082854522646 135778814.0
1796 223.081182745765 99300044.0
1797 223.08893130958 16433468.0
1798 229.071095584099 18581195.0
1799 232.085631037087 26441905.0
1800 233.083493178908 22919204.0
1801 237.114642446406 27809453.0
1802 239.094719461519 123875816.0
1803 240.093989220693 10465340.0
1804 241.091358474241 15998965.0
1805 243.050410724226 30433441.0
1806 244.094291460025 51273034.0
1807 245.029458131547 23650783.0
1808 245.102463054765 410722160.0
1809 246.103646000958 29809430.0
1810 254.113905808742 22337484.0
1811 257.066031671279 2765507323.0
1812 258.06825165759 197732377.0
1813 259.045756297035 43018820.0
1814 259.063114651546 129205654.0
1815 259.070275285318 18682083.0
1816 259.081366811747 116924177.0
1817 259.141876089913 14942245.0
1818 260.066192507073 34929695.0
1819 271.082012120742 19885715.0
1820 271.984081051135 9431717.0
1821 272.089691979189 22169503.0
1822 273.079719357873 78308182.0
1823 273.097313808265 16543374969.0
1824 273.118950007375 92869850.0
1825 274.099806030141 2287536735.0
1826 274.217141933613 13039644.0
1827 275.076294945676 7983986.0
1828 275.094216227449 981222446.0
1829 275.102436109944 129418610.0
1830 276.099267515345 122244937.0
1831 277.090215982851 33999808.0
1832 285.061379459212 303738160.0
1833 286.062906536822 68620774.0
1834 287.040073409788 51679456.0
1835 291.090077299697 14024565.0
1836 301.092508128805 68301704.0
1837 303.125948109573 351901308.0
1838 304.126475755685 52106541.0
1839 305.105961546843 74641578.0
1840 305.141578526376 704639078.0
1841 306.106418430419 10669352.0
1842 306.142348989784 108317196.0
1843 307.137660131412 71896338.0
1844 319.121110115292 121722887.0
1845 320.121965587385 18034460.0
1846 331.085397367351 45683149.0
1847 331.120777785729 82200798.0
1848 333.100808283225 57324043.0
1849 334.101214968996 15734107.0
1850 345.136450879654 36564648.0
1851 347.116266654718 1786077575.0
1852 348.117170455813 502372522.0
1853 349.111470583401 192929894.0
1854 350.114867228446 38403869.0
1855 363.147239489188 501421400.0
1856 364.14867021705 132299410.0
1857 365.143392649651 42979349.0
1858 373.13035299357 19528621.0
1859 375.111094687722 568049382.0
1860 376.111995370639 271597888.0
1861 377.106990479324 108165315.0
1862 378.108779821015 22975281.0
1863 420.247671297531 27440183.0
1864 421.171688653814 10506179.0
1865 437.166396736386 13112392.0
1866 465.161043379028 95478801.0
1867 466.161597834963 34006381.0
1868 467.158862655379 15850483.0
1869
1870 NAME: C042
1871 IONMODE: Negative
1872 SPECTRUMTYPE: Centroid
1873 RETENTIONTIME: 271.39
1874 RETENTIONINDEX: 1813.489583
1875 NUM PEAKS: 31
1876 73.0496913278189 28814308.0
1877 77.1200656369992 2610968.0
1878 78.0116637721411 1903654.0
1879 82.5993944596822 2937109.0
1880 105.14829183878 6300835.0
1881 120.052745765447 1591256.0
1882 121.04598949235 6258690.0
1883 124.163519100232 5753581.0
1884 127.06855868316 6761920.0
1885 135.077108142192 4645122.0
1886 137.941234310306 5497287.0
1887 142.085584756459 19497605.0
1888 157.11542090916 241699352.0
1889 170.234042335997 4071716.0
1890 181.149572704242 5692404.0
1891 182.074490789042 9160864.0
1892 187.102405332504 3278126.0
1893 187.108071237175 8927372.0
1894 196.08992454356 4156821.0
1895 197.0977124259 4237990.0
1896 197.177720887346 10094494.0
1897 210.069579445585 4771734.0
1898 225.092168639625 12436256.0
1899 240.135122398135 10899504.0
1900 256.1657476594 171285128.0
1901 257.168967084637 18606029.0
1902 258.162446023868 14108970.0
1903 278.291413696853 3978698.0
1904 286.414411533465 4701336.0
1905 287.113120857513 14834782.0
1906 373.20242050704 7382425.0
1907
1908 NAME: C010
1909 IONMODE: Negative
1910 SPECTRUMTYPE: Centroid
1911 RETENTIONTIME: 271.76
1912 RETENTIONINDEX: 1815.416667
1913 NUM PEAKS: 75
1914 74.0648599976579 2331310.0
1915 74.0982071329357 3142939.0
1916 76.0323849976885 41159396.0
1917 76.0656850092731 960931.0
1918 77.0318554097471 3598305.0
1919 77.0356123879505 802203.0
1920 78.0292364748547 1630024.0
1921 78.0968370928729 805407.0
1922 78.126403291789 3508136.0
1923 88.0656518070162 3106235.0
1924 89.1201327533686 992913.0
1925 90.0931616108975 1791039.0
1926 90.1264570206002 4857057.0
1927 92.1071978257648 1045033.0
1928 94.1545338523452 1447377.0
1929 102.12638819522 975325.0
1930 104.093832270658 1123315.0
1931 106.121149318186 1509883.0
1932 106.154615341325 4796750.0
1933 107.129167494293 13689262.0
1934 108.055341626043 819902.0
1935 108.135284721264 2737937.0
1936 110.182750747843 1218393.0
1937 118.154533734757 2252994.0
1938 120.048795134363 3118905.0
1939 120.05545372843 56476390.0
1940 121.054939976441 2509121.0
1941 121.058853766603 2346478.0
1942 121.143231934286 1530140.0
1943 122.05225135748 2219120.0
1944 122.149384569157 5315545.0
1945 122.182667284706 1784125.0
1946 132.054968772294 50763489.0
1947 134.182677176262 1063888.0
1948 136.084083848357 13966342.0
1949 137.059767795561 3523393.0
1950 137.086878523654 1417796.0
1951 138.065827841144 3737295.0
1952 138.177598969977 8467784.0
1953 148.083736037499 5722935.0
1954 149.092952214733 5539138.0
1955 164.111658794654 4781676.0
1956 165.121264645112 1118782.0
1957 180.139897761474 1839367.0
1958 186.261753445419 1688923.0
1959 195.161718039649 597703.0
1960 196.16779925966 5153378.0
1961 212.196331609314 1044901.0
1962 213.205413147112 4823461.0
1963 214.178492134033 872909.0
1964 226.089494356547 3428859.0
1965 229.234200053831 1071342.0
1966 244.252742066233 899323.0
1967 259.274769771321 597513.0
1968 260.281072617886 2767658.0
1969 261.290643863973 1208492.0
1970 268.404490305895 1198600.0
1971 276.312141526377 951628.0
1972 277.318313142441 3816700.0
1973 293.346593882399 726925.0
1974 309.375250457867 899895.0
1975 310.381078919844 4659988.0
1976 311.387345297053 24286684.0
1977 312.394070075839 77119451.0
1978 313.396963036504 15398452.0
1979 314.390552944335 3065575.0
1980 314.399778898154 1276942.0
1981 326.410558591205 1457581.0
1982 327.385217336887 700689.0
1983 327.416815902898 1481974.0
1984 328.391885626277 2521764.0
1985 329.397982197985 13276722.0
1986 330.403963356557 41962736.0
1987 331.407288294656 8294118.0
1988 332.4002214553 1539765.0
1989
1990 NAME: C127
1991 IONMODE: Negative
1992 SPECTRUMTYPE: Centroid
1993 RETENTIONTIME: 276.83
1994 RETENTIONINDEX: 1841.822917
1995 NUM PEAKS: 11
1996 85.0841458215141 22919271.0
1997 133.049920596871 153277853.0
1998 171.107296239557 3514985.0
1999 172.115090783093 16577801.0
2000 225.105416537797 36045918.0
2001 232.154958300903 47783666.0
2002 233.156815759114 49693338.0
2003 239.157190418806 13613585.0
2004 267.1520954935 22024016.0
2005 295.103200060337 2744427.0
2006 349.190930744946 6200711.0
2007
2008 NAME: C101
2009 IONMODE: Negative
2010 SPECTRUMTYPE: Centroid
2011 RETENTIONTIME: 279.31
2012 RETENTIONINDEX: 1854.739583
2013 NUM PEAKS: 14
2014 74.0463688794247 258008001.0
2015 74.0501380873391 161361179.0
2016 75.0436558637419 194224204.0
2017 124.07574572662 2544036.0
2018 134.071360433648 11655329.0
2019 168.04748084841 16443824.0
2020 172.078546506428 82708218.0
2021 205.098730760524 29480906.0
2022 220.108760701961 26036896.0
2023 228.123205384359 30393677.0
2024 276.148343131382 11768839.0
2025 282.175609100282 14338097.0
2026 286.12907474557 34428521.0
2027 297.108251237699 13832829.0
2028
2029 NAME: C004
2030 IONMODE: Negative
2031 SPECTRUMTYPE: Centroid
2032 RETENTIONTIME: 281.14
2033 RETENTIONINDEX: 1864.270833
2034 NUM PEAKS: 133
2035 73.0442774196692 43427043.0
2036 76.7877765636581 36867611.0
2037 82.0287764397131 14403247.0
2038 84.0264189057457 44227273.0
2039 87.0261244420359 8119251.0
2040 89.0417212260272 300309561.0
2041 90.0413382064351 20241402.0
2042 90.0453293598109 10529116.0
2043 91.0210449471361 6002447.0
2044 91.0574195592591 77536294.0
2045 92.0570057716064 6831570.0
2046 100.021290957126 40776047.0
2047 101.041722098231 38070287.0
2048 102.037003084157 14788815.0
2049 103.057402645866 742366453.0
2050 104.056941844155 50265736.0
2051 104.060640427731 32476058.0
2052 105.036669173611 4356477.0
2053 105.054350992755 36464664.0
2054 105.072814053772 42586321.0
2055 107.052274593264 21289591.0
2056 111.02610348604 12029133.0
2057 114.036949079325 17218401.0
2058 115.044830373125 17317329.0
2059 115.057399403328 16868654.0
2060 117.036565950721 250369120.0
2061 118.036189570718 18095275.0
2062 118.040028705771 25210706.0
2063 119.015816266648 5679009.0
2064 126.036946884123 11074836.0
2065 127.057374364192 14534823.0
2066 130.036220392438 62692526.0
2067 130.039995757391 64758855.0
2068 133.067622940029 155881977.0
2069 142.068329871816 165445429.0
2070 143.070182252456 18651954.0
2071 144.083841374779 11601770.0
2072 145.06788275214 20209322.0
2073 152.05263386683 20108742.0
2074 156.047360880423 9705058.0
2075 163.060372867003 65510626.0
2076 165.057216241631 11870122.0
2077 170.063258457184 16748280.0
2078 173.068039789864 43110036.0
2079 173.086694269178 201267523.0
2080 175.060488740021 36958850.0
2081 175.083532346585 41712896.0
2082 176.061460287086 15926551.0
2083 182.063212995492 28363578.0
2084 186.09429568096 23735661.0
2085 189.076169715928 825029623.0
2086 191.072951063098 51478583.0
2087 196.078730622868 11852501.0
2088 198.094356625603 30089811.0
2089 200.055578733836 21240668.0
2090 200.110164270208 18637146.0
2091 201.099984383691 170434790.0
2092 203.055325630312 10558307.0
2093 203.091763731358 33930527.0
2094 205.053200643873 18438847.0
2095 207.086610369153 29693365.0
2096 214.962016695882 11203354.0
2097 216.317732137529 7826622.0
2098 217.071023488157 72705727.0
2099 217.095083420724 54995937.0
2100 217.121796787879 50243146.0
2101 217.166426338473 9239645.0
2102 217.900749229103 7653546.0
2103 218.106794379465 334685948.0
2104 218.111164744607 345419754.0
2105 219.10442246025 200256816.0
2106 221.084059323829 134852300.0
2107 226.113084127754 47047242.0
2108 227.116801955308 8932805.0
2109 228.086848745893 11783707.0
2110 230.066158666165 13496526.0
2111 231.086947416196 49649794.0
2112 235.119062770912 13586188.0
2113 240.08721243609 29102373.0
2114 242.102369579214 23904129.0
2115 244.118344303396 97250619.0
2116 254.102694408539 15597106.0
2117 256.118437672343 78739849.0
2118 260.113103825249 47767703.0
2119 262.130014540454 200988583.0
2120 263.138573404215 53408535.0
2121 268.118306919701 28596285.0
2122 270.097678093505 12115606.0
2123 270.134141208722 19974347.0
2124 272.113437044862 28234289.0
2125 276.144462665628 27720147.0
2126 277.147232129808 769954256.0
2127 278.146892922202 115217293.0
2128 279.143784551238 56035231.0
2129 288.126437112534 54520275.0
2130 289.128218919886 16764007.0
2131 293.122628474483 14301867.0
2132 300.144341828753 33176785.0
2133 302.123699256429 10229334.0
2134 302.142369213994 57143899.0
2135 307.157207611693 1278188117.0
2136 308.157842265781 259423411.0
2137 309.153358236607 124942652.0
2138 310.155034853292 35092151.0
2139 313.13794281126 9929507.0
2140 319.13837209334 35159018.0
2141 328.158116067274 14357421.0
2142 330.136513260744 49905906.0
2143 331.137963917645 11826973.0
2144 332.154553184823 25824792.0
2145 333.160508063619 64490793.0
2146 334.16898677718 107798098.0
2147 335.156265735477 16470528.0
2148 335.168937214244 30819530.0
2149 342.136313045773 10306765.0
2150 344.152591810826 21798292.0
2151 350.162009338002 27136149.0
2152 351.164342942217 13379794.0
2153 358.167933699256 29617511.0
2154 364.17811863351 334806610.0
2155 365.179941921808 79125623.0
2156 366.175689249457 29985899.0
2157 376.178658020756 27285941.0
2158 377.18063775328 13348755.0
2159 390.195061114161 13993459.0
2160 432.186649360652 22112168.0
2161 433.192400997591 14756847.0
2162 464.212596374886 14461181.0
2163 465.21501265446 8807847.0
2164 466.229037894481 11598169.0
2165 522.237414197299 6572270.0
2166 554.264791787775 8367305.0
2167 555.265568698089 6612134.0
2168
2169 NAME: C110
2170 IONMODE: Negative
2171 SPECTRUMTYPE: Centroid
2172 RETENTIONTIME: 283.88
2173 RETENTIONINDEX: 1878.541667
2174 NUM PEAKS: 13
2175 79.9256163305807 35659407.0
2176 81.9236198700107 42653638.0
2177 106.072667217309 19289409.0
2178 150.114982016025 2997998.0
2179 157.067787655887 148497423.0
2180 159.065301084116 15291412.0
2181 184.10246728824 14490245.0
2182 201.112581963398 26972484.0
2183 209.110311112446 20026562.0
2184 234.097803958994 31982659.0
2185 269.126286241834 14054741.0
2186 374.163371795822 16425034.0
2187 523.244458527217 12922485.0
2188
2189 NAME: C086
2190 IONMODE: Negative
2191 SPECTRUMTYPE: Centroid
2192 RETENTIONTIME: 287.21
2193 RETENTIONINDEX: 1895.885417
2194 NUM PEAKS: 17
2195 83.0491443126251 13401535.0
2196 130.067971115871 28748349.0
2197 155.063559089007 14423687.0
2198 158.07126507671 13741191.0
2199 160.078885565698 49241857.0
2200 177.075026176198 12630958.0
2201 177.112494737753 19627341.0
2202 182.110840378961 89305743.0
2203 183.114206332572 8531414.0
2204 195.107466181229 1494005.0
2205 197.086464271805 14076623.0
2206 206.109021043045 40736644.0
2207 209.074227807948 43910745.0
2208 220.053396995043 756198.0
2209 248.15066362012 41422504.0
2210 287.136540957075 45812665.0
2211 359.17579757575 40316400.0
2212
2213 NAME: C051
2214 IONMODE: Negative
2215 SPECTRUMTYPE: Centroid
2216 RETENTIONTIME: 290.47
2217 RETENTIONINDEX: 1912.864583
2218 NUM PEAKS: 26
2219 84.0390302139215 34495281.0
2220 84.0808088814813 38539264.0
2221 113.065465107067 13871036.0
2222 127.07556406171 17975528.0
2223 150.073384723545 37346847.0
2224 157.091993872177 37419491.0
2225 158.116963019958 183329618.0
2226 159.120428129784 90154928.0
2227 164.061409973125 28651788.0
2228 181.079102571762 11060338.0
2229 203.079400434636 17299753.0
2230 203.108021998189 29043651.0
2231 205.107661990272 211676604.0
2232 217.107403514199 972614564.0
2233 222.094440447216 7807929.0
2234 229.082343478791 13879919.0
2235 245.115444444803 22254526.0
2236 260.149298779768 127120753.0
2237 273.181141144222 778604.0
2238 281.137625077912 14511633.0
2239 327.173734281077 33038676.0
2240 387.182015624062 9324072.0
2241 419.23933518559 17055063.0
2242 434.262398831126 186648318.0
2243 435.264755401562 61792189.0
2244 436.259678230093 32932185.0
2245
2246 NAME: C002
2247 IONMODE: Negative
2248 SPECTRUMTYPE: Centroid
2249 RETENTIONTIME: 290.89
2250 RETENTIONINDEX: 1915.052083
2251 NUM PEAKS: 154
2252 74.0420834639321 120682786.0
2253 80.0494750602472 12339346.0
2254 82.0107698705264 8113847.0
2255 82.0525502295731 60894902.0
2256 82.0651194565621 69447188.0
2257 83.0311632951016 17182147.0
2258 83.0603552165549 26106020.0
2259 85.046840423611 36500190.0
2260 86.0420827109742 437807591.0
2261 87.0453942386005 61802493.0
2262 88.0577103462022 126672522.0
2263 92.0526600111699 12421233.0
2264 94.0651670460976 18848709.0
2265 96.0263813762539 14381972.0
2266 97.0468986440212 15794212.0
2267 98.0421044995257 61798780.0
2268 99.06249129056 8628267.0
2269 100.003287517863 26090881.0
2270 104.052665196453 62263260.0
2271 106.068269556965 10590759.0
2272 106.894750634963 10256492.0
2273 108.892711554142 11334123.0
2274 108.910444165148 11643908.0
2275 110.042107118335 36696327.0
2276 110.908343397409 13030309.0
2277 112.057747931751 202767274.0
2278 113.023768186909 24015489.0
2279 113.060990726567 11748906.0
2280 114.073420371446 118499512.0
2281 116.034576517123 25573830.0
2282 118.013833408793 16053275.0
2283 124.057702695463 27174358.0
2284 125.053020535183 10497273.0
2285 126.073371777015 116026001.0
2286 128.089034552709 1076874098.0
2287 129.088615400632 49671667.0
2288 129.092275725785 64644162.0
2289 130.050240665132 211482345.0
2290 130.085929598478 31261544.0
2291 131.050293706342 20915133.0
2292 132.02961924114 104192915.0
2293 132.047128086909 12094980.0
2294 132.066113699847 16131826.0
2295 136.941688061638 81146638.0
2296 138.073445775264 23634965.0
2297 138.939710087807 74853849.0
2298 139.0686036981 52754759.0
2299 139.081144509926 34483099.0
2300 140.08899268638 293228811.0
2301 141.092347928277 65071812.0
2302 146.081595655039 145607206.0
2303 147.080815648938 17595931.0
2304 151.068736822218 10434254.0
2305 153.084293111734 142395683.0
2306 154.067420851191 38774968.0
2307 154.084420613659 52714657.0
2308 154.091894366848 8040303517.0
2309 154.099503530777 38324808.0
2310 154.104655547101 443159050.0
2311 155.091615331178 372481990.0
2312 155.099727288506 1310679140.0
2313 155.10781250826 49431503.0
2314 155.112254523726 44722686.0
2315 156.105471106688 166859587.0
2316 156.120166450827 7207510907.0
2317 156.127862778166 41072907.0
2318 157.097093417462 32026839.0
2319 157.121496619714 926586633.0
2320 158.099385920317 12616679.0
2321 158.124946605491 234352340.0
2322 160.097096389934 45502811.0
2323 164.094075508998 34423231.0
2324 165.084107046349 8145865.0
2325 166.079422233971 178017216.0
2326 166.104685302363 80292109.0
2327 167.07871269313 4507534.0
2328 167.082828184413 13060281.0
2329 167.099713290459 33540976.0
2330 168.058648244495 5700201.0
2331 168.083785856497 48614668.0
2332 170.082445253861 28135897.0
2333 170.099553031307 28093003.0
2334 174.076517369154 49839977.0
2335 174.103640753562 66052643.0
2336 174.112663155196 5611399476.0
2337 175.112170691358 833424254.0
2338 176.109466908977 366520262.0
2339 176.115493491049 47516513.0
2340 184.09719460417 42599922.0
2341 186.112626331526 117291912.0
2342 187.108107044473 22347464.0
2343 194.0743897508 8637337.0
2344 198.113011436307 16774760.0
2345 200.128530660802 474547422.0
2346 201.076108377723 46006626.0
2347 201.127096169995 52130161.0
2348 202.071563374098 11705583.0
2349 202.125165445139 33637559.0
2350 208.08987892552 12797967.0
2351 211.10767888855 43890336.0
2352 212.12878309912 45875600.0
2353 213.13636807691 35030810.0
2354 214.107807984073 285748748.0
2355 215.091931295473 234180262.0
2356 215.110674585538 36705109.0
2357 216.104580934199 20836364.0
2358 223.108076558568 11023160.0
2359 225.123655999268 36876138.0
2360 226.13153622958 230503051.0
2361 227.13043943876 10085174.0
2362 228.123249098843 71535895.0
2363 228.159905893646 362434420.0
2364 229.161937176139 38367663.0
2365 230.11510202532 1523196176.0
2366 230.139090546109 293710971.0
2367 230.156245628046 45899538.0
2368 231.116370377997 120829979.0
2369 238.119217265137 947506152.0
2370 239.121427840401 63610601.0
2371 239.139249070531 39299143.0
2372 240.099210617648 7249600.0
2373 240.115927718166 52952233.0
2374 240.123288794265 76462964.0
2375 241.118888018358 41168985.0
2376 243.170568177597 125330108.0
2377 244.154610797799 67993804.0
2378 254.129501750287 22468081.0
2379 254.15027250779 3541758949.0
2380 254.166344878179 23375802.0
2381 255.134464422483 9943127.0
2382 255.153455142685 389823786.0
2383 255.17059633608 62094050.0
2384 256.146875761737 243800132.0
2385 257.113547269649 157019561.0
2386 257.15089582724 26466261.0
2387 267.116330800132 19910509.0
2388 272.149988875225 105632286.0
2389 273.158421055509 86183840.0
2390 274.146840544661 38353426.0
2391 302.178660705055 15925694.0
2392 304.15803854925 24147305.0
2393 313.158276970897 15473630.0
2394 317.225363435622 262506151.0
2395 318.226361789138 56804918.0
2396 319.222337550035 23286345.0
2397 328.168552290245 125300682.0
2398 329.189024733197 158066255.0
2399 338.153719073072 54058937.0
2400 339.154593618751 14921199.0
2401 356.163893265203 202635184.0
2402 357.165536021859 53046367.0
2403 358.15756032522 10878972.0
2404 371.186890075188 108573235.0
2405 372.188435718142 25975848.0
2406
2407 NAME: C032
2408 IONMODE: Negative
2409 SPECTRUMTYPE: Centroid
2410 RETENTIONTIME: 293.8
2411 RETENTIONINDEX: 1930.208333
2412 NUM PEAKS: 37
2413 77.0385700377892 5323543.0
2414 97.0284464523265 17181168.0
2415 101.057276691524 24373530.0
2416 101.061050318588 23362152.0
2417 102.0545547641 18000207.0
2418 107.049178092153 5259667.0
2419 117.056256394175 19331208.0
2420 119.049208444226 6556810.0
2421 135.062499714989 46031035.0
2422 144.053477738533 13635725.0
2423 161.041476402708 11508318.0
2424 169.079018375922 18215238.0
2425 175.055505897625 9113762.0
2426 176.052466278487 24452258.0
2427 179.052334497828 3213462.0
2428 180.090606856118 23492333.0
2429 184.087743496986 9633402.0
2430 193.067673166181 17520968.0
2431 218.07617589558 9295248.0
2432 218.090165214098 45345145.0
2433 221.102841025724 24047780.0
2434 248.091817520042 9584686.0
2435 250.071128737698 39717545.0
2436 264.123968255395 30111084.0
2437 265.103712182846 7436142.0
2438 265.107288629308 75402743.0
2439 266.111080001919 24900167.0
2440 267.086687778924 32556612.0
2441 268.129715772248 30785623.0
2442 282.159255908762 17786888.0
2443 283.154778825553 21397685.0
2444 296.160515979017 12792658.0
2445 305.105780505281 19382666.0
2446 321.153363611387 47305902.0
2447 329.141929921441 15317245.0
2448 332.158873244121 13684549.0
2449 421.207975743072 24226802.0
2450
2451 NAME: C039
2452 IONMODE: Negative
2453 SPECTRUMTYPE: Centroid
2454 RETENTIONTIME: 294.04
2455 RETENTIONINDEX: 1931.458333
2456 NUM PEAKS: 33
2457 70.0371775180723 9802034.0
2458 79.0542666937278 8688980.0
2459 89.0386794726954 11620255.0
2460 91.0542504618771 30947093.0
2461 100.057744254947 496769873.0
2462 115.054168772455 6832970.0
2463 118.065786334856 15147158.0
2464 130.031878160532 72453339.0
2465 147.02636157237 5271163.0
2466 151.05716747583 7189660.0
2467 159.094722405838 132067111.0
2468 163.096954971874 92944620.0
2469 165.073061690929 21387568.0
2470 171.047209275619 17771318.0
2471 183.083656577519 22405730.0
2472 195.094697043323 12237813.0
2473 218.102502561969 5983687580.0
2474 280.154644213041 824926354.0
2475 281.157982765931 132165993.0
2476 282.15088194224 50345725.0
2477 283.117879745799 11305583.0
2478 292.116310171817 28849929.0
2479 314.123625565021 14770799.0
2480 319.157013077887 520878103.0
2481 331.157793066718 48572665.0
2482 333.136698745019 225287147.0
2483 334.137621195451 65125521.0
2484 335.132556913122 37587085.0
2485 354.1735334822 259207371.0
2486 355.175653733993 74511530.0
2487 366.136938125334 8687761.0
2488 382.167954545109 54003502.0
2489 383.170213072623 13715188.0
2490
2491 NAME: C057
2492 IONMODE: Negative
2493 SPECTRUMTYPE: Centroid
2494 RETENTIONTIME: 297.46
2495 RETENTIONINDEX: 1949.270833
2496 NUM PEAKS: 24
2497 70.065140588591 69660390.0
2498 71.0685090692803 7579324.0
2499 71.0729882659317 42133327.0
2500 72.0763513778915 4300577.0
2501 72.080776408481 79077912.0
2502 73.0841715277688 4036839.0
2503 83.2824701166458 4752496.0
2504 86.0964172048694 22823201.0
2505 112.026718636136 3402144.0
2506 122.083798734131 9823139.0
2507 137.941259261835 5678267.0
2508 139.939212596135 7093987.0
2509 146.099581186979 11963670.0
2510 154.992219893237 12193601.0
2511 195.023629403104 5000505.0
2512 209.14683892237 5782055.0
2513 211.055073892493 10180673.0
2514 224.086250536679 25057646.0
2515 250.100449938395 12936223.0
2516 269.078956353596 14226016.0
2517 285.157711397125 17529741.0
2518 311.139865703441 7125675.0
2519 368.194431614721 5287483.0
2520 403.153016350274 9316010.0
2521
2522 NAME: C105
2523 IONMODE: Negative
2524 SPECTRUMTYPE: Centroid
2525 RETENTIONTIME: 301.53
2526 RETENTIONINDEX: 1970.46875
2527 NUM PEAKS: 14
2528 93.2929770806677 8231767.0
2529 97.0760985963802 12949528.0
2530 99.0373577113971 188443426.0
2531 125.047109936728 4861422.0
2532 125.071000832572 10345514.0
2533 158.135930546698 56097443.0
2534 158.143352148289 2214477.0
2535 160.138673134033 861169.0
2536 165.138595827621 1253205.0
2537 195.040409361997 1760217.0
2538 200.073746662629 17723198.0
2539 305.077240353515 3564492.0
2540 321.108243566898 5687452.0
2541 358.204650727784 2603646.0
2542
2543 NAME: C095
2544 IONMODE: Negative
2545 SPECTRUMTYPE: Centroid
2546 RETENTIONTIME: 304.99
2547 RETENTIONINDEX: 1988.489583
2548 NUM PEAKS: 15
2549 70.2768572196141 724390.0
2550 71.0855622890958 8324691.0
2551 99.0804759407409 5004735.0
2552 122.070944775828 5861337.0
2553 187.062693301317 22179077.0
2554 226.113123269907 16424121.0
2555 233.073874760072 6933083.0
2556 251.066562683323 6779290.0
2557 267.098126299649 41767825.0
2558 293.192919830966 5088284.0
2559 297.145129853966 36591139.0
2560 350.184207657302 2705428.0
2561 389.21040767739 3363788.0
2562 413.197621511807 7653774.0
2563 414.200120714475 2423762.0
2564
2565 NAME: C033
2566 IONMODE: Negative
2567 SPECTRUMTYPE: Centroid
2568 RETENTIONTIME: 308.58
2569 RETENTIONINDEX: 2007.666667
2570 NUM PEAKS: 37
2571 73.531605989471 771447.0
2572 88.2802088536002 2354610.0
2573 88.2818766644288 646520.0
2574 92.0363412263476 2328206.0
2575 221.067303451741 3755641.0
2576 222.051669040714 10524048.0
2577 237.061565171865 687333.0
2578 238.083098637492 8557483.0
2579 240.062245509132 10178596.0
2580 256.093861318806 17484094.0
2581 265.057118076144 9145518.0
2582 266.058334909219 1732081.0
2583 269.101188102132 9654992.0
2584 278.101525992935 22792825.0
2585 279.072861058162 5897290.0
2586 279.108770697625 36753278.0
2587 280.081173889904 6128749.0
2588 280.107485275548 8521895.0
2589 281.087787944372 4837816.0
2590 281.105519178582 9807942.0
2591 282.091190977393 3649387.0
2592 283.084961315329 15684056.0
2593 294.132890613133 55588073.0
2594 295.103547633807 43574953.0
2595 311.081455573088 1326825.0
2596 337.096419323323 6588349.0
2597 338.09676853852 13272175.0
2598 339.09323718716 999466.0
2599 353.127560017149 144550661.0
2600 354.128795201405 49424632.0
2601 355.122537504109 47330949.0
2602 370.149102508131 10849913.0
2603 371.138589402205 14600447.0
2604 372.141582293114 4502669.0
2605 411.142649067185 2314906.0
2606 412.144697958491 466093.0
2607 480.136478938358 1216442.0
2608
2609 NAME: C137
2610 IONMODE: Negative
2611 SPECTRUMTYPE: Centroid
2612 RETENTIONTIME: 311.16
2613 RETENTIONINDEX: 2022
2614 NUM PEAKS: 10
2615 97.0523060413644 5274140.0
2616 152.081817899684 5093511.0
2617 231.05015580275 1952393.0
2618 300.168189469206 3392021.0
2619 393.139989199004 13276616.0
2620 394.140768692465 5648195.0
2621 395.136574543683 4101790.0
2622 408.162873967206 4943485.0
2623 449.16686347877 9719334.0
2624 450.1675539824 4920359.0
2625
2626 NAME: C138
2627 IONMODE: Negative
2628 SPECTRUMTYPE: Centroid
2629 RETENTIONTIME: 314.44
2630 RETENTIONINDEX: 2040.222222
2631 NUM PEAKS: 10
2632 112.087455345874 931066.0
2633 199.126206505582 11612735.0
2634 238.173528792889 4411816.0
2635 269.193077691514 984294.0
2636 285.224636538024 5330642.0
2637 313.255337428782 10149376.0
2638 314.259300664549 1992445.0
2639 331.266299611949 7277851.0
2640 332.269060065364 1371921.0
2641 341.207198704854 7011991.0
2642
2643 NAME: C066
2644 IONMODE: Negative
2645 SPECTRUMTYPE: Centroid
2646 RETENTIONTIME: 315.97
2647 RETENTIONINDEX: 2048.722222
2648 NUM PEAKS: 22
2649 99.0315316962332 12865930.0
2650 100.036937604265 8631754.0
2651 100.075743226903 6768603.0
2652 111.080433106783 6080081.0
2653 172.11509290563 24400194.0
2654 172.126208294695 23549921.0
2655 173.11807984615 22927307.0
2656 188.115048212186 26712025.0
2657 216.134585437596 6692436.0
2658 224.12145470542 8812625.0
2659 227.102932336218 11076559.0
2660 229.118606872887 11393756.0
2661 244.165892119186 17851705.0
2662 262.083636752485 4799137.0
2663 267.134425329767 14779333.0
2664 278.114188829313 17941186.0
2665 289.176345314332 8331969.0
2666 326.15276911208 13048543.0
2667 333.262327728991 2404960.0
2668 361.215894508414 13163596.0
2669 384.188292781607 6800054.0
2670 478.252938848116 6150369.0
2671
2672 NAME: C003
2673 IONMODE: Negative
2674 SPECTRUMTYPE: Centroid
2675 RETENTIONTIME: 319.68
2676 RETENTIONINDEX: 2069.333333
2677 NUM PEAKS: 135
2678 79.7880892478518 18841042.0
2679 81.0447736395215 11849310.0
2680 82.0287915205732 8641431.0
2681 83.049137600019 33038328.0
2682 84.0525192390775 7478871.0
2683 87.0553285125512 74200004.0
2684 89.0417142929142 74233823.0
2685 90.0370022508945 13992895.0
2686 91.0210436941179 2390862.0
2687 93.044785299243 7452819.0
2688 94.0525975127288 10453244.0
2689 96.0444253536972 10903036.0
2690 99.0553397906279 10231908.0
2691 105.044808242391 6408829.0
2692 107.052294660788 6242866.0
2693 109.039650121962 5568695.0
2694 110.047462837666 5061668.0
2695 111.055323802391 5873056.0
2696 112.039298026444 3965753.0
2697 112.063146344341 6515958.0
2698 113.052882942859 8276419.0
2699 113.070935069309 6091506.0
2700 116.06489332999 7651769.0
2701 117.052272989142 3424764.0
2702 119.060398059581 5015688.0
2703 123.055298722957 6914458.0
2704 126.036934304886 7725659.0
2705 127.068555548084 6308443.0
2706 129.036692025662 122379411.0
2707 129.065799497037 22459026.0
2708 129.072869578599 357742590.0
2709 129.084157333304 8540678.0
2710 130.068355771428 19512498.0
2711 130.072660895986 17001807.0
2712 130.076400507348 21643851.0
2713 131.076042114677 42394426.0
2714 132.075235945687 15098771.0
2715 132.083789835617 26794170.0
2716 137.070988883611 9859706.0
2717 138.05493224095 3165654.0
2718 139.051175003371 7069320.0
2719 141.047778003792 23946731.0
2720 141.065923570004 9330027.0
2721 142.055705069575 6974963.0
2722 144.08382621206 24138104.0
2723 152.052612709208 12445682.0
2724 153.047862201653 13551007.0
2725 153.06050104986 5683251.0
2726 154.031798596314 9702495.0
2727 154.068135836281 22462918.0
2728 155.063488378907 17345256.0
2729 157.067778706704 305000842.0
2730 157.079041955576 23421863.0
2731 158.063049350607 79873894.0
2732 158.071192154163 24230537.0
2733 158.087223744981 44233946.0
2734 159.066220496597 14412715.0
2735 159.094678886574 63040570.0
2736 167.063455325892 21288707.0
2737 169.079013983553 42107910.0
2738 170.063237400093 16300891.0
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2740 178.068296395536 5176174.0
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2784 284.137011207473 19427028.0
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2786 303.156554156078 27321286.0
2787 309.144715592211 11863564.0
2788 315.155169787866 65230453.0
2789 319.157101342607 733557628.0
2790 320.158352325734 176280305.0
2791 321.153241677135 74811478.0
2792 322.157191869663 33601762.0
2793 327.155355207603 17725445.0
2794 333.166397555812 53890077.0
2795 334.168322787397 15415305.0
2796 360.184205186806 23337977.0
2797 374.163526061853 21552675.0
2798 399.195205285978 19867111.0
2799 401.174241468972 35504809.0
2800 417.205717817748 23250105.0
2801 417.241711757457 19573381.0
2802 418.207654920137 17403027.0
2803 418.243205616146 12152742.0
2804 475.229231161579 2756806.0
2805 489.245871828029 38098072.0
2806 490.247019499098 8845886.0
2807 491.244269926889 10775524.0
2808 523.250368109965 33514393.0
2809 579.297280589764 6860747.0
2810 595.292757936577 18386300.0
2811 596.292128391308 11382024.0
2812 597.290217290809 5672650.0
2813
2814 NAME: C040
2815 IONMODE: Negative
2816 SPECTRUMTYPE: Centroid
2817 RETENTIONTIME: 321.31
2818 RETENTIONINDEX: 2078.388889
2819 NUM PEAKS: 33
2820 86.0600682921472 9381159.0
2821 95.0603938490297 15521059.0
2822 97.0397339680025 24014067.0
2823 101.041727191915 11405177.0
2824 109.076031398849 6450381.0
2825 110.060064337551 4270169.0
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2830 153.066212511408 20308902.0
2831 155.052193908908 11192129.0
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2836 189.105132424236 17876612.0
2837 194.089437340891 11945652.0
2838 204.1102479839 32749740.0
2839 207.032182874338 216347643.0
2840 212.073668395226 6004502.0
2841 223.088883694464 20724810.0
2842 227.121667702625 16834252.0
2843 235.100064731668 15241152.0
2844 243.114688975684 96867894.0
2845 255.11588382923 27970144.0
2846 259.141882711861 14063033.0
2847 260.113279665034 10908440.0
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2849 286.128932061527 13523103.0
2850 286.148425364417 16693436.0
2851 313.139639980503 6608351.0
2852 375.195189950703 13408933.0
2853
2854 NAME: C011
2855 IONMODE: Negative
2856 SPECTRUMTYPE: Centroid
2857 RETENTIONTIME: 322.28
2858 RETENTIONINDEX: 2083.777778
2859 NUM PEAKS: 60
2860 76.283885200383 48758943.0
2861 76.5338715278987 7330057.0
2862 81.033530773467 24285748.0
2863 103.057424266746 75855115.0
2864 111.026113437095 11609338.0
2865 125.041734730414 4160199.0
2866 143.052306505082 69840390.0
2867 144.053895325187 9336526.0
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2869 177.076273317809 24683428.0
2870 181.067313356117 5000321.0
2871 189.076124128862 137616624.0
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2873 192.093082227574 162051910.0
2874 193.088516871839 79021596.0
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2877 204.099524919261 479242795.0
2878 205.053116336146 17657713.0
2879 205.070877855025 12997271.0
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2881 206.096652118325 38137097.0
2882 207.068717751505 5872517.0
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2884 217.071268460144 101151529.0
2885 217.107439740029 3008061011.0
2886 217.120599219026 18976724.0
2887 218.071421909215 7584138.0
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2889 219.067855798403 8668305.0
2890 221.084188869749 459386964.0
2891 222.082806852273 62375377.0
2892 223.081082300298 43091167.0
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2894 239.055166037926 12858835.0
2895 239.094698448033 55801273.0
2896 241.091558016218 4820209.0
2897 255.086475307821 14656926.0
2898 265.110639707297 430889044.0
2899 266.110398522331 62537248.0
2900 267.107664435978 35879260.0
2901 291.126272427249 232033331.0
2902 293.122582892229 21633679.0
2903 303.125958014117 19190277.0
2904 304.134521280581 20404876.0
2905 305.141591931944 3473641239.0
2906 306.142075983677 691061412.0
2907 307.137742387683 338327260.0
2908 308.140557563281 44039918.0
2909 316.133244628652 16028985.0
2910 317.142174241451 23656199.0
2911 318.149353523284 1793017305.0
2912 329.142182403421 12334206.0
2913 343.156260753335 85679829.0
2914 344.158945743286 19266508.0
2915 367.160275896842 105372219.0
2916 392.168333222764 7002831.0
2917 393.176681587806 80010031.0
2918 432.200378434683 189476983.0
2919 433.206131669451 102761038.0
2920
2921 NAME: C043
2922 IONMODE: Negative
2923 SPECTRUMTYPE: Centroid
2924 RETENTIONTIME: 322.55
2925 RETENTIONINDEX: 2085.277778
2926 NUM PEAKS: 31
2927 156.059933874872 8912861.0
2928 177.039648677453 4799821.0
2929 181.115563600531 7195900.0
2930 193.09487906926 15763835.0
2931 200.09747430305 23843031.0
2932 231.116037759149 39959069.0
2933 271.118058631062 26038024.0
2934 280.166266545075 7691084.0
2935 289.110428902479 16656379.0
2936 320.145969537816 211414148.0
2937 322.141612926358 22208031.0
2938 331.157608063169 11160482.0
2939 353.091465715207 23781118.0
2940 366.135657911069 13102339.0
2941 367.143453851581 69977117.0
2942 379.161056373234 27830735.0
2943 382.168034222366 63631531.0
2944 383.168988095274 19107154.0
2945 384.162965662993 9508332.0
2946 394.178333716989 15610593.0
2947 419.192353431449 38878069.0
2948 420.193524293788 20283156.0
2949 442.162856005418 77198856.0
2950 443.158896747995 35519451.0
2951 455.178042324859 9719421.0
2952 456.186266752889 95734993.0
2953 457.187818940189 37674463.0
2954 458.182648048279 18615642.0
2955 507.225806261072 36709055.0
2956 508.226752580767 23206243.0
2957 509.224447477455 20751399.0
2958
2959 NAME: C106
2960 IONMODE: Negative
2961 SPECTRUMTYPE: Centroid
2962 RETENTIONTIME: 327.31
2963 RETENTIONINDEX: 2113.024691
2964 NUM PEAKS: 14
2965 107.060453875425 16786624.0
2966 108.031759954569 1145857.0
2967 126.078753273933 6569465.0
2968 140.106992964576 9610555.0
2969 223.16234404227 2833124.0
2970 315.179147857279 10357531.0
2971 342.191499357712 22669547.0
2972 343.195452147673 11955585.0
2973 352.14363537673 164050830.0
2974 353.195131688136 9878669.0
2975 412.227603861564 2097760.0
2976 431.14909170791 2788721.0
2977 431.256719028879 8035505.0
2978 471.251586123075 1314345.0
2979
2980 NAME: C048
2981 IONMODE: Negative
2982 SPECTRUMTYPE: Centroid
2983 RETENTIONTIME: 332.6
2984 RETENTIONINDEX: 2145.679012
2985 NUM PEAKS: 28
2986 72.5340064435056 602653.0
2987 81.5458075142691 748715.0
2988 132.549815754799 692988.0
2989 170.086332975955 14785949.0
2990 209.146835381513 5815023.0
2991 249.09266209649 6128782.0
2992 265.10006445182 42029006.0
2993 280.122070170931 10233102.0
2994 298.129092428406 4634830.0
2995 312.192410839247 3728981.0
2996 326.189386870785 60628380.0
2997 365.164412462921 15415134.0
2998 380.187494204804 6008176.0
2999 381.19028863997 4661698.0
3000 389.247712861929 1064591.0
3001 389.265859120232 2982934.0
3002 390.266611167546 1275499.0
3003 401.210234296709 11323028.0
3004 402.208423769061 9147276.0
3005 407.175441272852 9382473.0
3006 428.20358106623 17386556.0
3007 429.204289307621 8328453.0
3008 430.199491300068 7298945.0
3009 463.284669340964 6008338.0
3010 477.244130747149 11018691.0
3011 478.247323567868 8304980.0
3012 479.242460163612 13437070.0
3013 568.243094623967 1152688.0
3014
3015 NAME: C128
3016 IONMODE: Negative
3017 SPECTRUMTYPE: Centroid
3018 RETENTIONTIME: 335.48
3019 RETENTIONINDEX: 2163.45679
3020 NUM PEAKS: 11
3021 168.10771511057 6496433.0
3022 179.099973270114 8278283.0
3023 229.167859589837 10526266.0
3024 262.165339160395 1570498.0
3025 280.129740627285 26305287.0
3026 325.139799390333 14449217.0
3027 345.202674259083 4725463.0
3028 365.108800101615 4886272.0
3029 368.231052349948 1022917.0
3030 408.151160343815 2970922.0
3031 535.325063070555 1044375.0
3032
3033 NAME: C058
3034 IONMODE: Negative
3035 SPECTRUMTYPE: Centroid
3036 RETENTIONTIME: 337.17
3037 RETENTIONINDEX: 2173.888889
3038 NUM PEAKS: 24
3039 151.068708939346 6326311.0
3040 153.084160420566 38995370.0
3041 166.092091496276 4747014.0
3042 180.106307440027 5615264.0
3043 229.118706822763 16495827.0
3044 242.13894951891 8778723.0
3045 255.098033765529 14728529.0
3046 269.149968297132 9179999.0
3047 294.120309828748 11842528.0
3048 350.134907339258 5788130.0
3049 370.215576228697 1013005.0
3050 393.159839533096 11517444.0
3051 402.183547226062 16054312.0
3052 408.177100815743 8116858.0
3053 409.190112906445 20290463.0
3054 428.239370226939 3789585.0
3055 433.178838799113 7126546.0
3056 458.250083037298 13813998.0
3057 459.251596150511 7135298.0
3058 460.247482293901 5329131.0
3059 474.275259072538 7332554.0
3060 475.272308884899 4386161.0
3061 491.260723228397 15793553.0
3062 503.189317005826 1775627.0
3063
3064 NAME: C088
3065 IONMODE: Negative
3066 SPECTRUMTYPE: Centroid
3067 RETENTIONTIME: 341.62
3068 RETENTIONINDEX: 2201.222222
3069 NUM PEAKS: 16
3070 139.026374001664 418315.0
3071 229.028993244417 1581728.0
3072 308.0661764471 1347319.0
3073 311.124091047552 8045403.0
3074 367.097586611735 892466.0
3075 381.113256909686 832454.0
3076 391.061442625076 352738.0
3077 394.121510882539 7414432.0
3078 398.116541827689 1612937.0
3079 407.091860285456 1403451.0
3080 422.11623890417 813302.0
3081 469.147286445836 845861.0
3082 497.142377565761 760055.0
3083 577.281853552635 1271702.0
3084 587.194299857559 475452.0
3085 588.196225913346 557356.0
3086
3087 NAME: C031
3088 IONMODE: Negative
3089 SPECTRUMTYPE: Centroid
3090 RETENTIONTIME: 343.13
3091 RETENTIONINDEX: 2209.611111
3092 NUM PEAKS: 37
3093 72.7865025490946 3119452.0
3094 84.0570125020815 10351640.0
3095 96.0569661170095 2101245.0
3096 96.0933491830713 8713172.0
3097 115.05421543577 2196595.0
3098 129.056845534746 17608689.0
3099 130.066123207302 20961857.0
3100 143.031168061935 1238230.0
3101 156.02646872089 2359707.0
3102 170.041790350486 9668481.0
3103 182.042138540521 1578868.0
3104 187.081147591519 10230195.0
3105 190.104681372046 18745425.0
3106 191.10831419311 24334094.0
3107 198.071978866131 4511635.0
3108 199.081355814471 1538475.0
3109 200.085103935158 378722.0
3110 200.089020900464 36174698.0
3111 202.09361267595 12120104.0
3112 202.104399178954 1496153674.0
3113 202.123405237656 6884529.0
3114 203.108034494641 185788584.0
3115 204.112019482859 10298841.0
3116 228.031146874981 17202036.0
3117 291.150224848427 252295104.0
3118 292.14944436683 42884849.0
3119 303.171143784156 22701791.0
3120 315.135057127894 26685169.0
3121 339.271102342351 5201728.0
3122 340.274555519105 1187572.0
3123 357.281508371165 1404552.0
3124 378.173284553302 10451091.0
3125 378.191794242698 7062388.0
3126 386.21095819071 8210209.0
3127 405.185483504135 9722900.0
3128 408.094303631496 1224219.0
3129 415.227090004689 8222201.0
3130
3131 NAME: C100
3132 IONMODE: Negative
3133 SPECTRUMTYPE: Centroid
3134 RETENTIONTIME: 345.5
3135 RETENTIONINDEX: 2222.777778
3136 NUM PEAKS: 14
3137 97.0648842103271 6553133.0
3138 151.123001641522 1888355.0
3139 152.107022835787 13320513.0
3140 218.138923152415 143825074.0
3141 223.035256197299 3603345.0
3142 239.084770372489 8464870.0
3143 241.172917841373 2079445.0
3144 242.156980444567 9127389.0
3145 243.160566761435 2019149.0
3146 269.168258128339 8781373.0
3147 271.155371915675 20686894.0
3148 329.134270021151 11444351.0
3149 359.217812274255 4401651.0
3150 421.193522248259 11937431.0
3151
3152 NAME: C053
3153 IONMODE: Negative
3154 SPECTRUMTYPE: Centroid
3155 RETENTIONTIME: 347.17
3156 RETENTIONINDEX: 2232.055556
3157 NUM PEAKS: 25
3158 78.7740869050871 8055691.0
3159 111.080476368988 5488486.0
3160 190.125220022566 24667012.0
3161 211.000521317283 26376725.0
3162 254.973126461213 9040145.0
3163 276.181100160821 3158616.0
3164 297.224735916217 2755542.0
3165 312.084531206027 1423350.0
3166 312.2713039186 592013.0
3167 313.086837264385 17708845.0
3168 316.102625353557 19904204.0
3169 341.286657906166 4779746.0
3170 342.290119654517 1701755.0
3171 354.09487578684 1261620.0
3172 355.095806451485 961943.0
3173 359.298056597227 3820794.0
3174 360.300313452465 1128586.0
3175 373.108218672414 2006290.0
3176 387.14196934508 25541159.0
3177 388.263241644667 4966565.0
3178 390.140585103392 8817823.0
3179 415.154940141313 3558856.0
3180 463.176770947225 14251031.0
3181 487.181910321167 3379363.0
3182 560.229783067744 1188705.0
3183
3184 NAME: C081
3185 IONMODE: Negative
3186 SPECTRUMTYPE: Centroid
3187 RETENTIONTIME: 349.36
3188 RETENTIONINDEX: 2244.222222
3189 NUM PEAKS: 19
3190 160.097248474815 37944961.0
3191 171.139155490584 2825640.0
3192 177.065693459474 4185588.0
3193 183.143591272214 2488306.0
3194 189.053279950108 2951947.0
3195 194.039669362714 575787.0
3196 208.066274604781 7165576.0
3197 210.028966396048 15955907.0
3198 214.144296158427 23882854.0
3199 224.097440461586 20099825.0
3200 286.085578305541 2517939.0
3201 303.210010165036 17594196.0
3202 315.102702049513 52027878.0
3203 356.093441209454 606292.0
3204 373.090226708028 16121827.0
3205 373.125226393284 12553837.0
3206 382.108676128006 666416.0
3207 428.168016595725 3210390.0
3208 490.331197932816 1988457.0
3209
3210 NAME: C023
3211 IONMODE: Negative
3212 SPECTRUMTYPE: Centroid
3213 RETENTIONTIME: 350.31
3214 RETENTIONINDEX: 2249.5
3215 NUM PEAKS: 43
3216 77.7885574396821 1590119.0
3217 124.075788278623 5681187.0
3218 125.083506885518 5177663.0
3219 144.047612810238 5133252.0
3220 166.073706194287 3707793.0
3221 181.079090288901 19322318.0
3222 195.094738008829 17210348.0
3223 197.110298763064 33071661.0
3224 198.113793195862 4728406.0
3225 209.074856013102 30425501.0
3226 222.081884374246 20934434.0
3227 222.105547760039 34080322.0
3228 225.105381556765 43875541.0
3229 226.10999825976 5271837.0
3230 236.085093344827 5629641.0
3231 250.100377911659 17847527.0
3232 252.027456629912 1280764.0
3233 268.058077173001 804408.0
3234 284.089633213583 23032355.0
3235 294.104467454403 17022037.0
3236 296.089123702051 15944328.0
3237 308.089752425178 1381989.0
3238 311.160339268322 110100448.0
3239 312.162791273021 14416832.0
3240 322.104907894833 3119179.0
3241 324.066773859332 589405.0
3242 336.155480659395 24224181.0
3243 337.163122984553 16293373.0
3244 340.097839296447 2734342.0
3245 340.149205503343 18352504.0
3246 341.152768689947 10213101.0
3247 356.129478542785 45440125.0
3248 368.092935453573 2180163.0
3249 371.129225115983 18114648.0
3250 372.129927984702 7143897.0
3251 386.103116306562 1141137.0
3252 426.135464427951 3630137.0
3253 458.143591165157 3108388.0
3254 459.144017929584 899107.0
3255 502.204686596231 8626039.0
3256 504.203250053874 3671689.0
3257 604.221538169222 1054387.0
3258 605.223365106083 750123.0
3259
3260 NAME: C099
3261 IONMODE: Negative
3262 SPECTRUMTYPE: Centroid
3263 RETENTIONTIME: 352.59
3264 RETENTIONINDEX: 2262.166667
3265 NUM PEAKS: 14
3266 70.065147745459 17506737.0
3267 98.0600973826433 18655906.0
3268 121.076003615197 11472392.0
3269 127.08122939655 19031659.0
3270 128.080789049602 1545113.0
3271 135.055372801214 9335801.0
3272 154.068219859094 15011407.0
3273 183.070703638794 16196165.0
3274 207.094832754429 17043135.0
3275 286.165502497372 13386170.0
3276 295.10317869293 40857729.0
3277 308.124557141883 18264119.0
3278 546.243170847813 2377092.0
3279 547.245146267633 1705141.0
3280
3281 NAME: C049
3282 IONMODE: Negative
3283 SPECTRUMTYPE: Centroid
3284 RETENTIONTIME: 354.08
3285 RETENTIONINDEX: 2270.444444
3286 NUM PEAKS: 27
3287 79.0333583763723 933879.0
3288 138.078754758579 10054939.0
3289 167.075990926035 3811167.0
3290 169.091787625886 1889672.0
3291 198.058222074911 8072127.0
3292 198.09426359244 28423717.0
3293 199.097823737752 3930811.0
3294 212.11010578049 8380712.0
3295 222.11818769099 6822698.0
3296 226.08952822196 10579257.0
3297 228.069035975462 4585986.0
3298 237.068885736725 12061676.0
3299 253.100444224127 11901575.0
3300 260.073776876825 6398577.0
3301 274.128814504016 32798858.0
3302 288.144485209847 15891146.0
3303 291.103927890412 5967014.0
3304 302.160701389649 7593181.0
3305 316.138742759983 59150358.0
3306 317.142650649515 10686027.0
3307 322.140243156254 17689217.0
3308 322.171823918487 582053.0
3309 330.155031394893 30005124.0
3310 365.15800981015 18419308.0
3311 401.154440046834 4281495.0
3312 405.205067808521 15058221.0
3313 521.235678890491 3962549.0
3314
3315 NAME: C044
3316 IONMODE: Negative
3317 SPECTRUMTYPE: Centroid
3318 RETENTIONTIME: 357.7
3319 RETENTIONINDEX: 2290.555556
3320 NUM PEAKS: 29
3321 139.044853486343 11006538.0
3322 155.07608838016 34414806.0
3323 162.127573030538 768810.0
3324 170.050697004869 6553210.0
3325 196.078852767748 5421755.0
3326 220.053575074847 4660152.0
3327 251.084810185094 12666571.0
3328 266.157467848759 4672939.0
3329 275.132474839638 25154951.0
3330 281.075957587188 4276357.0
3331 282.090322153702 4565357.0
3332 306.162806962255 4175630.0
3333 321.127961473115 6788838.0
3334 350.225640874442 2612741.0
3335 351.22873249849 4625144.0
3336 355.114001766988 6930780.0
3337 367.113610644371 3093304.0
3338 378.220980356403 2030506.0
3339 379.223102635378 445243.0
3340 396.213194672075 1863375.0
3341 411.200729887719 13486367.0
3342 412.204022416186 3081525.0
3343 424.208336285112 16179111.0
3344 425.211373182034 4768860.0
3345 438.223912383726 12537361.0
3346 453.243565502489 1186187.0
3347 467.262962248089 3803365.0
3348 468.265027111697 1116445.0
3349 470.250283831051 10438295.0
3350
3351 NAME: C017
3352 IONMODE: Negative
3353 SPECTRUMTYPE: Centroid
3354 RETENTIONTIME: 363.28
3355 RETENTIONINDEX: 2321.555556
3356 NUM PEAKS: 52
3357 71.5249297468395 246824.0
3358 72.0444156740603 1726774.0
3359 96.0444072131039 11266100.0
3360 112.039308708706 6790422.0
3361 113.047087267754 595753.0
3362 138.054901673707 1710118.0
3363 152.034126557822 21633027.0
3364 156.023701807881 1967786.0
3365 160.039220578349 32923367.0
3366 164.034044369769 499581.0
3367 166.050528490317 6718530.0
3368 168.059981182251 4640395.0
3369 178.04953633373 8240390.0
3370 186.094306390545 25321594.0
3371 187.097681648484 6160124.0
3372 199.065318185637 8233103.0
3373 200.04959610159 6582750.0
3374 207.047215024998 11624832.0
3375 209.062482948667 4620342.0
3376 228.104835108508 12976891.0
3377 234.058024007269 4152098.0
3378 235.041774349505 9911154.0
3379 236.073540813578 3485184.0
3380 238.053507699979 3142392.0
3381 242.114336943818 20725836.0
3382 251.073039314037 4069211.0
3383 252.068681412175 4503979.0
3384 262.106485915524 7277480.0
3385 263.108393668682 3276005.0
3386 270.073861516055 5128172.0
3387 283.082109287145 12423548.0
3388 286.104988585487 39154375.0
3389 287.107464137544 10058759.0
3390 294.079077738347 832223.0
3391 302.111577044952 2758207.0
3392 324.10782685991 1874408.0
3393 325.091831782177 2035733.0
3394 333.122988617868 4182643.0
3395 339.155423098214 20744911.0
3396 349.103055195824 238665.0
3397 366.118429355055 3199120.0
3398 374.14466736748 4720531.0
3399 384.128590697433 3181947.0
3400 397.131397320935 5250056.0
3401 411.169866084604 1673162.0
3402 462.216349668248 6932026.0
3403 474.17880037619 2245645.0
3404 475.181385923857 2942038.0
3405 481.194310772398 481103.0
3406 564.229867412985 1096065.0
3407 565.232671046918 455344.0
3408 566.230541338632 549961.0
3409
3410 NAME: C064
3411 IONMODE: Negative
3412 SPECTRUMTYPE: Centroid
3413 RETENTIONTIME: 375.89
3414 RETENTIONINDEX: 2391.611111
3415 NUM PEAKS: 23
3416 110.047470637892 6642041.0
3417 125.071035021628 16412359.0
3418 126.042376643666 3220270.0
3419 127.050111652578 746803.0
3420 153.066274935992 14420478.0
3421 167.044817615206 3176988.0
3422 185.055118146592 2935718.0
3423 198.081745517786 7677380.0
3424 199.089585363372 39091219.0
3425 205.060889654444 5541461.0
3426 227.085322918536 16631439.0
3427 253.100339408766 6678314.0
3428 279.079307498393 8937829.0
3429 281.095869479174 7222001.0
3430 294.090577567429 1755530.0
3431 313.139310733363 22974826.0
3432 329.134217166591 12952648.0
3433 459.18035104006 33219654.0
3434 460.182138848675 17781509.0
3435 497.260884422652 6067007.0
3436 498.262564521523 1313133.0
3437 499.260123008644 3692578.0
3438 505.299757891437 5825602.0
3439
3440 NAME: C098
3441 IONMODE: Negative
3442 SPECTRUMTYPE: Centroid
3443 RETENTIONTIME: 378.8
3444 RETENTIONINDEX: 2408.641975
3445 NUM PEAKS: 14
3446 100.039301362165 6787840.0
3447 114.091394521632 391776.0
3448 153.10226517404 9828669.0
3449 217.107416723633 692995967.0
3450 240.091570998379 13789282.0
3451 257.099686736348 62987142.0
3452 284.179204089515 3200059.0
3453 295.103222670946 49781248.0
3454 338.287241374565 597080.0
3455 343.204811133265 3797745.0
3456 353.225479189584 11657300.0
3457 367.302078655288 410538.0
3458 625.310229677992 23043046.0
3459 626.306379972348 26032505.0
3460
3461 NAME: C008
3462 IONMODE: Negative
3463 SPECTRUMTYPE: Centroid
3464 RETENTIONTIME: 383.25
3465 RETENTIONINDEX: 2436.111111
3466 NUM PEAKS: 102
3467 78.7781680742475 2556976.0
3468 82.0287864194648 8611959.0
3469 85.0104542195255 4745054.0
3470 92.0495708428228 5241931.0
3471 95.0491933558967 2316015.0
3472 96.0078464060989 4720367.0
3473 99.0260585452107 42333146.0
3474 100.025652771381 2210104.0
3475 100.029460129111 1981052.0
3476 101.005418898448 6144105.0
3477 101.02272083003 3343084.0
3478 106.894747495922 3789804.0
3479 108.892716700199 4700928.0
3480 108.910416566696 4697413.0
3481 110.908317235236 3641673.0
3482 111.026121150586 7898189.0
3483 113.034483087363 1496932.0
3484 116.02876233702 10183471.0
3485 119.015881013881 1977959.0
3486 120.04434550515 4465533.0
3487 125.034561908395 2616569.0
3488 125.041780188163 5642602.0
3489 126.036944910833 5772477.0
3490 128.076372883456 5931740.0
3491 136.941645253989 15500747.0
3492 138.000329453771 4425123.0
3493 138.939672935419 14601520.0
3494 140.065140977456 18496952.0
3495 142.044407303719 9098154.0
3496 144.053483905356 7606120.0
3497 145.067857890803 7879741.0
3498 148.039287263976 7328850.0
3499 153.036553916572 14858551.0
3500 153.047854996355 18125030.0
3501 156.059954180827 5934059.0
3502 159.065697727649 7272776.0
3503 167.06348032557 99885797.0
3504 168.047501694808 12449580.0
3505 168.068381413815 19985484.0
3506 169.042872715042 111801595.0
3507 170.045964437299 9501453.0
3508 170.069851541155 17765150.0
3509 171.039411915043 2980892.0
3510 171.04718236227 9542984.0
3511 177.039637442155 5983921.0
3512 181.042632909891 3502669.0
3513 183.058412555312 14609802.0
3514 184.090614336983 12693765.0
3515 185.073952424469 56878550.0
3516 187.05314814224 24897096.0
3517 187.070922888834 7169841.0
3518 196.065548645302 32801154.0
3519 201.076259513554 6881178.0
3520 202.082996186392 9963473.0
3521 203.091832141757 11700196.0
3522 209.037561708176 19568054.0
3523 215.091944217113 45540404.0
3524 222.057912826487 2321839.0
3525 224.061333736415 316557240.0
3526 225.065854975194 19218426.0
3527 226.057739905584 15581615.0
3528 236.073581688389 2890476.0
3529 241.084284214072 266918712.0
3530 242.082852727802 22182180.0
3531 242.113808861118 31247515.0
3532 243.086918863664 418906552.0
3533 244.087879713351 32875754.0
3534 245.083884694317 34083070.0
3535 245.102418520421 496282494.0
3536 246.086942052118 3927488.0
3537 246.104381502147 46108369.0
3538 247.099256838605 36816530.0
3539 255.098049725945 44949432.0
3540 256.106489502489 8942901.0
3541 257.113614660022 348115589.0
3542 258.111154671539 225329343.0
3543 260.106019952582 13589581.0
3544 271.092946448454 7106328.0
3545 283.092863658205 12296168.0
3546 286.116540700788 28928426.0
3547 299.123756429973 23938922.0
3548 311.123743598071 31911930.0
3549 313.103545925114 15964826.0
3550 314.112019059855 17126844.0
3551 315.119168534318 139091990.0
3552 316.121760954668 27755274.0
3553 317.115671168554 8395068.0
3554 323.124134194834 9863681.0
3555 329.153271349021 8326999.0
3556 337.102993453864 8384083.0
3557 339.1186928632 11546547.0
3558 348.159939085995 19818089.0
3559 356.134585694723 9393398.0
3560 357.165585898507 25573691.0
3561 371.163524965519 21473801.0
3562 386.150201697644 5663547.0
3563 427.153325080958 3790746.0
3564 437.149979973353 2944822.0
3565 517.203234692442 22966974.0
3566 518.205129851345 10282418.0
3567 519.202327050065 5767781.0
3568 535.215134330149 3167063.0
3569
3570 NAME: C077
3571 IONMODE: Negative
3572 SPECTRUMTYPE: Centroid
3573 RETENTIONTIME: 384.44
3574 RETENTIONINDEX: 2443.45679
3575 NUM PEAKS: 20
3576 71.2728199682766 690243.0
3577 144.083825172977 22791648.0
3578 145.085584868091 10775169.0
3579 159.029118165495 19006750.0
3580 186.09429708514 27683952.0
3581 187.097819430438 5619470.0
3582 191.045012850521 3572716.0
3583 208.079707567392 6224957.0
3584 213.068645037431 9480943.0
3585 226.074659898296 4269377.0
3586 238.089508684254 7087054.0
3587 266.084220752262 7559404.0
3588 267.081467889461 11399628.0
3589 285.097047763353 83324362.0
3590 287.094173167403 8817753.0
3591 291.105301556444 3730503.0
3592 301.121049139372 11440949.0
3593 323.112730873395 3185471.0
3594 346.152689497507 11304768.0
3595 399.147566165417 8382476.0
3596
3597 NAME: C119
3598 IONMODE: Negative
3599 SPECTRUMTYPE: Centroid
3600 RETENTIONTIME: 388.27
3601 RETENTIONINDEX: 2467.098765
3602 NUM PEAKS: 12
3603 151.062738788112 405228.0
3604 171.107264123472 16218350.0
3605 223.113496538048 5700802.0
3606 249.080184575449 1056399.0
3607 274.112823212167 4451188.0
3608 290.102562332628 18911225.0
3609 423.183075478976 7354996.0
3610 440.185446124691 7547658.0
3611 473.218853386996 13228642.0
3612 534.322613866403 641497.0
3613 588.296361504491 1081745.0
3614 589.298947021262 918536.0
3615
3616 NAME: C094
3617 IONMODE: Negative
3618 SPECTRUMTYPE: Centroid
3619 RETENTIONTIME: 392.25
3620 RETENTIONINDEX: 2491.666667
3621 NUM PEAKS: 15
3622 123.091713193396 9331796.0
3623 136.112142611326 930399.0
3624 150.091267807806 6505807.0
3625 151.094630290507 820737.0
3626 162.102604363036 2087069.0
3627 177.102240919615 7756816.0
3628 239.15722955249 3978435.0
3629 253.136912578065 19168407.0
3630 266.16820837627 6329752.0
3631 267.152166862044 6873142.0
3632 267.172051642536 1094792.0
3633 356.2181315779 5169791.0
3634 381.201989477535 4815440.0
3635 477.190943977924 2057280.0
3636 620.342154538934 516462.0
3637
3638 NAME: C093
3639 IONMODE: Negative
3640 SPECTRUMTYPE: Centroid
3641 RETENTIONTIME: 402.16
3642 RETENTIONINDEX: 2559.444444
3643 NUM PEAKS: 15
3644 181.09791584724 4671270.0
3645 194.088513591907 8510205.0
3646 237.105496793531 9185006.0
3647 290.124018426868 18037423.0
3648 297.14510163826 12415740.0
3649 298.152749103304 19366264.0
3650 351.165831337034 14527085.0
3651 364.114799953348 6911806.0
3652 371.297884660897 1333404.0
3653 453.180586793223 3124927.0
3654 514.25950041052 3862975.0
3655 527.285566765862 5276925.0
3656 528.287298605431 2691096.0
3657 529.283089162769 1755358.0
3658 593.335948669683 1585406.0
3659
3660 NAME: C124
3661 IONMODE: Negative
3662 SPECTRUMTYPE: Centroid
3663 RETENTIONTIME: 406.62
3664 RETENTIONINDEX: 2590.416667
3665 NUM PEAKS: 11
3666 146.034815129303 1642571.0
3667 245.138408976401 7205285.0
3668 263.160561566297 3236247.0
3669 377.211044319754 5920463.0
3670 485.225233365709 4529433.0
3671 486.226116214397 2803451.0
3672 487.221962439329 2868465.0
3673 500.249086516537 1436498.0
3674 548.301344284282 2131200.0
3675 549.30212851384 6419731.0
3676 563.324377050193 1788549.0
3677
3678 NAME: C083
3679 IONMODE: Negative
3680 SPECTRUMTYPE: Centroid
3681 RETENTIONTIME: 410.03
3682 RETENTIONINDEX: 2616.111111
3683 NUM PEAKS: 18
3684 97.0284758383059 9941295.0
3685 123.044055598299 341206.0
3686 123.055339765145 4016795.0
3687 195.130997182583 6145558.0
3688 215.128346348635 4171289.0
3689 230.154884218055 16894142.0
3690 260.121439764468 8109560.0
3691 261.115917423013 27655957.0
3692 274.112998320524 5652436.0
3693 393.201342023945 2690919.0
3694 407.200296255953 9451579.0
3695 412.135590847225 4748443.0
3696 454.237368579201 7588768.0
3697 457.248140499488 3645203.0
3698 475.188604575789 4858347.0
3699 476.191094732576 1982326.0
3700 502.277109628018 2271104.0
3701 565.262660350661 14070734.0
3702
3703 NAME: C063
3704 IONMODE: Negative
3705 SPECTRUMTYPE: Centroid
3706 RETENTIONTIME: 414.71
3707 RETENTIONINDEX: 2653.253968
3708 NUM PEAKS: 23
3709 70.0651518792199 14286531.0
3710 85.0886109820436 1589349.0
3711 97.0841577295191 4052435.0
3712 99.0916897453027 2302256.0
3713 99.1043050566114 1431854.0
3714 129.138658407123 3380955.0
3715 139.122892868216 3512762.0
3716 233.186511553532 7004608.0
3717 236.032121024127 5476321.0
3718 238.100624225751 10266528.0
3719 259.183366866447 1714760.0
3720 290.244150091492 3752930.0
3721 302.244016475298 1751108.0
3722 311.145904092699 9565768.0
3723 316.260106436587 4992950.0
3724 322.140207310706 7576712.0
3725 322.194565513736 2651220.0
3726 354.113329972186 1201190.0
3727 414.134721715799 583952.0
3728 475.349884234328 1296007.0
3729 509.261571226483 4248609.0
3730 524.28625674108 8927420.0
3731 525.286704702442 4720664.0
3732
3733 NAME: C035
3734 IONMODE: Negative
3735 SPECTRUMTYPE: Centroid
3736 RETENTIONTIME: 419.04
3737 RETENTIONINDEX: 2687.619048
3738 NUM PEAKS: 36
3739 95.0603974165688 32407725.0
3740 96.0682831727683 18886041.0
3741 109.076038591831 7982766.0
3742 188.128421865281 16057927.0
3743 195.094898298977 19148777.0
3744 199.126238521047 6978513.0
3745 204.099626323395 456431665.0
3746 205.098899425485 31710600.0
3747 207.131269678805 1766648.0
3748 208.102696883827 8646753.0
3749 209.110448313553 15791517.0
3750 219.094951156149 7933252.0
3751 222.118247897013 9312287.0
3752 224.121505558916 9523093.0
3753 227.127097239983 9458739.0
3754 233.110208428279 8712578.0
3755 235.126196735619 11049396.0
3756 243.122924475103 38841337.0
3757 245.066317789903 31579845.0
3758 262.137112258936 6121680.0
3759 271.118026464116 33196335.0
3760 323.184126924107 11429234.0
3761 331.157780054126 26531872.0
3762 361.168017007879 75479202.0
3763 362.169988150521 20893295.0
3764 363.164412931753 17536320.0
3765 404.173578579216 14430179.0
3766 448.200200932766 16691765.0
3767 449.202614049514 12609750.0
3768 526.301181556855 5373746.0
3769 528.299310062466 5674753.0
3770 606.30762070488 4480742.0
3771 607.310524726956 5466162.0
3772 621.33034309982 10593067.0
3773 622.333291642746 5309767.0
3774 623.329947150646 3299604.0
3775
3776 NAME: C047
3777 IONMODE: Negative
3778 SPECTRUMTYPE: Centroid
3779 RETENTIONTIME: 422.18
3780 RETENTIONINDEX: 2713.859649
3781 NUM PEAKS: 28
3782 84.0808191171686 103468958.0
3783 88.0577475337021 8848518.0
3784 98.0964571576452 16061374.0
3785 99.0998078996579 2174349.0
3786 100.00327941202 7260138.0
3787 112.112091323483 16111434.0
3788 118.104687668833 2169177.0
3789 139.068634728094 7008898.0
3790 155.107952200175 30701320.0
3791 155.112350628434 8291470.0
3792 183.13107483676 16644478.0
3793 185.146721109425 3122275.0
3794 197.146708574463 2805993.0
3795 203.139197668849 3424101.0
3796 215.140027552841 9165781.0
3797 229.155358701312 22347634.0
3798 244.178463814469 1523884.0
3799 257.186632571696 16541112.0
3800 258.189911048901 4297129.0
3801 271.201952016643 4903824.0
3802 273.217586753219 5116647.0
3803 301.194683298178 5009860.0
3804 372.267671753689 7130700.0
3805 373.175782428382 9590811.0
3806 374.181671825121 13597700.0
3807 388.299098027846 1856218.0
3808 547.389445054236 2088026.0
3809 548.391059375424 1164631.0
3810
3811 NAME: C024
3812 IONMODE: Negative
3813 SPECTRUMTYPE: Centroid
3814 RETENTIONTIME: 424.04
3815 RETENTIONINDEX: 2730.175439
3816 NUM PEAKS: 40
3817 82.0651263569676 25308880.0
3818 92.9923118680449 16012167.0
3819 94.0651723611115 18262450.0
3820 106.894778739843 8499083.0
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3838 226.113237521737 8140673.0
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3855 532.269866294195 6721522.0
3856 545.295284438011 6399860.0
3857
3858 NAME: C022
3859 IONMODE: Negative
3860 SPECTRUMTYPE: Centroid
3861 RETENTIONTIME: 424.58
3862 RETENTIONINDEX: 2734.912281
3863 NUM PEAKS: 43
3864 81.0573376366625 3562488.0
3865 94.9892845847694 3674630.0
3866 104.052672604488 21418307.0
3867 110.096434596163 9969661.0
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3904 331.221579609236 22559073.0
3905 346.258691633891 7261684.0
3906 347.253540501442 2643142.0
3907
3908 NAME: C097
3909 IONMODE: Negative
3910 SPECTRUMTYPE: Centroid
3911 RETENTIONTIME: 426.36
3912 RETENTIONINDEX: 2750.526316
3913 NUM PEAKS: 14
3914 73.2740508273641 660725.0
3915 79.9256257432816 21946774.0
3916 81.0447690745025 14486428.0
3917 81.9236276834447 22655419.0
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3919 138.93972685962 57371725.0
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3921 275.13262227526 34015718.0
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3925 467.195271127506 9187412.0
3926 493.199529438422 6538332.0
3927 494.203004520425 7092132.0
3928
3929 NAME: C076
3930 IONMODE: Negative
3931 SPECTRUMTYPE: Centroid
3932 RETENTIONTIME: 428.31
3933 RETENTIONINDEX: 2767.631579
3934 NUM PEAKS: 20
3935 78.9178391620748 27172696.0
3936 149.023278806857 11290727.0
3937 211.000595262424 25147857.0
3938 227.032123848926 23161219.0
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3951 497.1425744092 3118350.0
3952 534.220174488574 5121833.0
3953 535.197662257465 6953222.0
3954 536.199581454248 7086890.0
3955
3956 NAME: C030
3957 IONMODE: Negative
3958 SPECTRUMTYPE: Centroid
3959 RETENTIONTIME: 429.44
3960 RETENTIONINDEX: 2777.54386
3961 NUM PEAKS: 37
3962 78.7740531759659 645618.0
3963 79.5357286288103 801248.0
3964 81.0335514238126 13297955.0
3965 115.292633558058 424452.0
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3973 318.082488852615 717401.0
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3996 533.219885049753 5925076.0
3997 537.196467484454 1477548.0
3998 616.232702617502 612011.0
3999
4000 NAME: C118
4001 IONMODE: Negative
4002 SPECTRUMTYPE: Centroid
4003 RETENTIONTIME: 437.46
4004 RETENTIONINDEX: 2853.529412
4005 NUM PEAKS: 12
4006 80.0620982868256 3762478.0
4007 110.060092440169 5253700.0
4008 213.115763347016 6675639.0
4009 270.127057063631 11670519.0
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4015 529.287433807079 3207396.0
4016 538.251019319035 7355651.0
4017 539.252681163123 8707385.0
4018
4019 NAME: C126
4020 IONMODE: Negative
4021 SPECTRUMTYPE: Centroid
4022 RETENTIONTIME: 440.77
4023 RETENTIONINDEX: 2885.980392
4024 NUM PEAKS: 11
4025 93.0573566868734 5056507.0
4026 104.049548354249 7206660.0
4027 109.064825570733 3171509.0
4028 123.067874118864 4020502.0
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4033 173.086740257926 26631231.0
4034 173.119725268594 1608766.0
4035 228.10734502194 6741313.0
4036
4037 NAME: C038
4038 IONMODE: Negative
4039 SPECTRUMTYPE: Centroid
4040 RETENTIONTIME: 442.98
4041 RETENTIONINDEX: 2907.222222
4042 NUM PEAKS: 33
4043 99.0804884227928 3200739.0
4044 106.065225480003 8906112.0
4045 117.07012981231 22591795.0
4046 118.065215169466 8817869.0
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4048 143.088680889014 22230277.0
4049 148.075647089784 7462412.0
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4074 567.27727231121 4861778.0
4075 568.279454709462 3420002.0
4076
4077 NAME: C080
4078 IONMODE: Negative
4079 SPECTRUMTYPE: Centroid
4080 RETENTIONTIME: 444.54
4081 RETENTIONINDEX: 2921.666667
4082 NUM PEAKS: 19
4083 97.064882695613 7759225.0
4084 122.060022196702 6683662.0
4085 132.088830886961 3942379.0
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4099 477.303366918412 2936056.0
4100 483.27763765454 1865978.0
4101 640.383797316019 1425641.0
4102
4103 NAME: C136
4104 IONMODE: Negative
4105 SPECTRUMTYPE: Centroid
4106 RETENTIONTIME: 450.95
4107 RETENTIONINDEX: 2981.018519
4108 NUM PEAKS: 10
4109 195.029127744232 4137455.0
4110 345.115830011408 4564610.0
4111 382.974093754219 3025122.0
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4116 489.055548322874 5283209.0
4117 498.22907463974 2737848.0
4118 564.336998356233 2462236.0
4119
4120 NAME: C117
4121 IONMODE: Negative
4122 SPECTRUMTYPE: Centroid
4123 RETENTIONTIME: 453.27
4124 RETENTIONINDEX: 3002.647059
4125 NUM PEAKS: 12
4126 160.112030418585 1691561.0
4127 226.15892382693 1157880.0
4128 271.027313534797 2359003.0
4129 288.177752798207 1480860.0
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4136 567.354899719179 2145809.0
4137 568.351508390526 1214396.0
4138
4139 NAME: C125
4140 IONMODE: Negative
4141 SPECTRUMTYPE: Centroid
4142 RETENTIONTIME: 455.05
4143 RETENTIONINDEX: 3020.098039
4144 NUM PEAKS: 11
4145 306.188590632596 4955367.0
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4153 385.313310945703 427304.0
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4155 611.339308909797 1250854.0
4156
4157 NAME: C112
4158 IONMODE: Negative
4159 SPECTRUMTYPE: Centroid
4160 RETENTIONTIME: 462.15
4161 RETENTIONINDEX: 3089.705882
4162 NUM PEAKS: 12
4163 127.086615974338 1957601.0
4164 134.096394685042 5925608.0
4165 140.106989546714 5609300.0
4166 321.198876500928 1169580.0
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4175
4176 NAME: C026
4177 IONMODE: Negative
4178 SPECTRUMTYPE: Centroid
4179 RETENTIONTIME: 466.68
4180 RETENTIONINDEX: 3130.526316
4181 NUM PEAKS: 38
4182 136.039304645197 22701241.0
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4220
4221 NAME: C005
4222 IONMODE: Negative
4223 SPECTRUMTYPE: Centroid
4224 RETENTIONTIME: 470.86
4225 RETENTIONINDEX: 3167.192982
4226 NUM PEAKS: 131
4227 71.0855421479009 5231278.0
4228 77.0385664511503 17152253.0
4229 82.0732634362063 9054909.0
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4356 459.396960465854 12742119.0
4357 460.400687283673 1861667.0
4358
4359 NAME: C013
4360 IONMODE: Negative
4361 SPECTRUMTYPE: Centroid
4362 RETENTIONTIME: 471.03
4363 RETENTIONINDEX: 3168.684211
4364 NUM PEAKS: 55
4365 78.0419730877832 2368518.0
4366 78.0464517452347 27659608.0
4367 80.0575686138474 4852405.0
4368 80.0620726266786 4335717.0
4369 82.077723849543 3241627.0
4370 84.0889032082991 2934749.0
4371 85.1012327448111 8558262.0
4372 92.0621020014837 11793478.0
4373 96.0889143149327 18526121.0
4374 98.1045714716139 4956771.0
4375 112.120196247652 2328365.0
4376 118.073209605885 6628830.0
4377 124.120146441277 10267058.0
4378 125.132492269073 14066785.0
4379 127.057380136281 12437446.0
4380 130.080821990819 8893887.0
4381 134.108970068474 12657216.0
4382 139.148071045442 3719823.0
4383 141.070083319782 9973131.0
4384 144.093492865764 5476298.0
4385 148.120067269518 10514748.0
4386 151.057275342057 8171723.0
4387 155.087332200892 36078426.0
4388 156.092934927972 5701562.0
4389 160.039216264642 6051499.0
4390 168.096079823693 12854502.0
4391 170.108456088609 2102886.0
4392 172.120083708266 5486472.0
4393 172.124571647352 4753634.0
4394 194.197954365635 1845731.0
4395 207.101729466849 212452545.0
4396 209.135564514886 2376859.0
4397 222.094125600635 10427549.0
4398 228.187305885476 10580455.0
4399 235.151268874707 6223489.0
4400 242.19810450196 1584414.0
4401 257.217653559754 1323921.0
4402 264.10498266712 7730254.0
4403 286.129147867981 12690420.0
4404 297.257846347009 7339027.0
4405 300.280767325326 2056178.0
4406 303.213698613085 7998748.0
4407 311.273627575072 8091654.0
4408 312.277993856253 1416664.0
4409 313.053036971607 25723968.0
4410 314.296557915216 11593408.0
4411 345.260912454812 10465506.0
4412 353.320009154806 61523306.0
4413 355.326724319955 3463336.0
4414 357.136488012862 9980274.0
4415 416.346688843113 1895680.0
4416 430.361629333123 1348470.0
4417 457.382680900654 882862.0
4418 624.30876303981 31553514.0
4419 626.306607666438 7713203.0
4420
4421 NAME: C034
4422 IONMODE: Negative
4423 SPECTRUMTYPE: Centroid
4424 RETENTIONTIME: 472.04
4425 RETENTIONINDEX: 3177.54386
4426 NUM PEAKS: 36
4427 79.054276509157 50410573.0
4428 79.9256271001622 36323371.0
4429 81.0699028490817 65792852.0
4430 81.9236143390691 35303738.0
4431 83.0855197742773 18108705.0
4432 93.0699125441727 55534987.0
4433 94.0777641868923 7428152.0
4434 95.0491703642809 3995554.0
4435 95.0855228641286 86321279.0
4436 97.1012304653706 14710484.0
4437 105.069966409147 82496797.0
4438 106.073243719929 8197837.0
4439 106.077731236607 8811881.0
4440 109.101180470828 48620387.0
4441 111.116884954921 13068754.0
4442 115.054173067603 18587691.0
4443 117.069989480068 42990806.0
4444 118.077691617587 9087869.0
4445 119.085572568403 74987843.0
4446 123.11679448774 26328027.0
4447 128.061976196738 11577519.0
4448 131.085646471898 48783281.0
4449 133.1012370695 52201958.0
4450 135.116884989063 43702141.0
4451 143.085500237204 39176611.0
4452 145.101085467268 86974867.0
4453 147.116848701127 45103339.0
4454 154.078965344867 10956674.0
4455 158.107366995179 10730788.0
4456 166.072565291926 4763479.0
4457 181.103947567113 6771507.0
4458 257.226481917835 3067305.0
4459 271.24217886118 1666197.0
4460 327.30434938533 8322688.0
4461 445.38549209862 886812.0
4462 456.378147711695 1982267.0
4463
4464 NAME: C046
4465 IONMODE: Negative
4466 SPECTRUMTYPE: Centroid
4467 RETENTIONTIME: 473.25
4468 RETENTIONINDEX: 3188.157895
4469 NUM PEAKS: 28
4470 169.091814824045 15401811.0
4471 181.055328401712 7488355.0
4472 181.067404235639 10688882.0
4473 224.0738886392 10720860.0
4474 243.122997622351 82545248.0
4475 250.089657359438 11357700.0
4476 254.084524085365 19125123.0
4477 255.087579796205 6979457.0
4478 270.134154286255 10720655.0
4479 292.1001454618 9510818.0
4480 317.141993943707 6884769.0
4481 323.112474020727 5931066.0
4482 340.139652175563 6005615.0
4483 356.134491294237 22977941.0
4484 382.15043389183 23731272.0
4485 402.194149068429 11077599.0
4486 472.200233326038 12359994.0
4487 473.201914910151 8470607.0
4488 562.252270006814 19690025.0
4489 563.252100037042 8694890.0
4490 609.314457944314 1306961.0
4491 628.305877521448 1867711.0
4492 636.271611633537 2746784.0
4493 637.272297794106 1540253.0
4494 652.303888309006 6730465.0
4495 653.306439891693 3895432.0
4496 654.302726532633 876671.0
4497 666.319802928903 1899563.0
4498
4499 NAME: C055
4500 IONMODE: Negative
4501 SPECTRUMTYPE: Centroid
4502 RETENTIONTIME: 473.82
4503 RETENTIONINDEX: 3193.157895
4504 NUM PEAKS: 24
4505 92.9922978499412 6512163.0
4506 94.0413515845974 46654542.0
4507 94.9892778931165 2712944.0
4508 109.028434824661 7909654.0
4509 156.058891215086 6419551.0
4510 166.097410126541 3793578.0
4511 192.112944769181 6120142.0
4512 211.148234033114 5457045.0
4513 222.08296718132 27025996.0
4514 239.179381545031 4075285.0
4515 253.193936151081 4727444.0
4516 261.097408384588 10454847.0
4517 297.098981157052 3951173.0
4518 312.144698418701 15636203.0
4519 327.035264329923 197898172.0
4520 343.014408028952 36935090.0
4521 352.139740913443 12236851.0
4522 430.189543517952 4513477.0
4523 434.184697434524 9576420.0
4524 441.355201665357 1155565.0
4525 446.184986515785 8525542.0
4526 549.162756678039 83551924.0
4527 563.14423712427 39357053.0
4528 565.251785826221 8348488.0
4529
4530 NAME: C071
4531 IONMODE: Negative
4532 SPECTRUMTYPE: Centroid
4533 RETENTIONTIME: 473.86
4534 RETENTIONINDEX: 3193.508772
4535 NUM PEAKS: 20
4536 139.056559045786 11826127.0
4537 144.053484575745 8030640.0
4538 144.083838926385 64503030.0
4539 150.05477734813 9444634.0
4540 172.07870441951 7383525.0
4541 196.078869701584 19477138.0
4542 208.078887946359 5638224.0
4543 225.057471039832 7650479.0
4544 241.107687150011 11119566.0
4545 254.102834179069 6494174.0
4546 284.149868766456 8987732.0
4547 298.129062422931 6674891.0
4548 328.139645903367 20385680.0
4549 383.152718418744 12876923.0
4550 397.131469373791 1134861.0
4551 403.196477437334 9888976.0
4552 416.173485345877 9096577.0
4553 536.234520792341 5463891.0
4554 564.250112722296 9357882.0
4555 667.322108710153 1172389.0
4556
4557 NAME: C036
4558 IONMODE: Negative
4559 SPECTRUMTYPE: Centroid
4560 RETENTIONTIME: 475.39
4561 RETENTIONINDEX: 3206.269841
4562 NUM PEAKS: 35
4563 107.085516154551 9483947.0
4564 121.101152855244 10618347.0
4565 145.085572412304 8259660.0
4566 179.05223246647 6363569.0
4567 197.086498039355 17329105.0
4568 230.078829355435 6684386.0
4569 251.037265753883 34549444.0
4570 254.198163028426 7344596.0
4571 267.210625620691 772644.0
4572 269.168361439502 5940302.0
4573 271.118092199178 63188229.0
4574 281.226188330672 1420828.0
4575 282.234387687099 1523339.0
4576 326.965485885604 32638471.0
4577 329.141579694069 7241551.0
4578 338.123672322283 2935042.0
4579 341.017166438337 179645236.0
4580 343.244425613751 3330598.0
4581 344.247836580119 12333391.0
4582 351.304108530897 3416820.0
4583 352.307926065663 1042419.0
4584 366.32751353275 1426870.0
4585 372.284344328841 936678.0
4586 385.023014471137 16619837.0
4587 387.002440614842 40889160.0
4588 387.071811234133 47441240.0
4589 399.075385167548 11818432.0
4590 399.32843302461 2121975.0
4591 401.053626852815 143645547.0
4592 417.103726002997 29001031.0
4593 461.090278099879 64865175.0
4594 491.122509223354 28003209.0
4595 535.109167132583 30457185.0
4596 623.183374016273 39315704.0
4597 639.37155606433 1716606.0
4598
4599 NAME: C027
4600 IONMODE: Negative
4601 SPECTRUMTYPE: Centroid
4602 RETENTIONTIME: 553.98
4603 RETENTIONINDEX: 3689.428571
4604 NUM PEAKS: 38
4605 77.8176745906921 1105498.0
4606 78.0684636990198 96306.0
4607 82.0732795848055 9728206.0
4608 83.0855186685394 3813751.0
4609 84.0570203051836 24187326.0
4610 96.0889137639502 13565062.0
4611 110.104528290505 4331643.0
4612 125.132499434281 9242936.0
4613 137.132564763949 12643663.0
4614 151.148014765965 272037.0
4615 165.163722354008 6773696.0
4616 221.225726286574 177335.0
4617 239.094687744633 26374355.0
4618 241.091546207015 2365852.0
4619 252.267876882654 725613.0
4620 264.267689650579 609854.0
4621 279.071777922903 14927474.0
4622 280.263490027391 3433705.0
4623 281.26667063529 618451.0
4624 283.245428279181 11477561.0
4625 295.103228182222 8954116.0
4626 309.260963609748 3057013.0
4627 310.263897463589 2019257.0
4628 311.254766620926 552885.0
4629 311.276719257874 66644267.0
4630 311.297431981013 382907.0
4631 312.280109979739 15093727.0
4632 313.273076732248 5643033.0
4633 313.282260329117 7566843.0
4634 314.276738618869 3451603.0
4635 338.287235073685 2209958.0
4636 339.29029588596 4425253.0
4637 352.302761596925 3169411.0
4638 380.297965788857 180319.0
4639 408.329164396672 436036.0
4640 503.107984232703 8240469.0
4641 576.519464198185 921322.0
4642 577.52028426797 362736.0
4643
4644 NAME: C067
4645 IONMODE: Negative
4646 SPECTRUMTYPE: Centroid
4647 RETENTIONTIME: 684.51
4648 RETENTIONINDEX: 4124.732143
4649 NUM PEAKS: 21
4650 81.0335203850296 1460702.0
4651 93.033536871228 2284617.0
4652 93.9412966700854 2338916.0
4653 94.9314184392123 2260234.0
4654 95.0447098200815 2480617.0
4655 95.9392715610367 2284886.0
4656 106.949079738401 1553793.0
4657 108.947125146923 1720800.0
4658 121.0649159937 3374518.0
4659 122.962717773824 2670906.0
4660 163.038961863126 1327490.0
4661 181.064459398523 1622822.0
4662 198.975569379888 1475051.0
4663 200.973172007118 1464828.0
4664 222.082872752546 6963479.0
4665 223.081161600819 4844790.0
4666 239.094727098375 16665580.0
4667 240.093990177114 1919568.0
4668 249.862570522753 1503955.0
4669 253.858455061308 1500931.0
4670 278.883962160433 1874928.0
4671
4672 NAME: C120
4673 IONMODE: Negative
4674 SPECTRUMTYPE: Centroid
4675 RETENTIONTIME: 685.09
4676 RETENTIONINDEX: 4126.458333
4677 NUM PEAKS: 11
4678 75.0229692071453 2301993.0
4679 93.0698779063908 1663778.0
4680 103.054293606216 15510427.0
4681 105.03356058112 2066627.0
4682 107.049209583129 2707336.0
4683 117.070003671357 12306337.0
4684 131.085664276014 3224819.0
4685 151.057109467382 1307911.0
4686 152.061836547775 1997804.0
4687 165.069686482543 3244386.0
4688 167.085333294048 2425647.0
4689
4690 NAME: C111
4691 IONMODE: Negative
4692 SPECTRUMTYPE: Centroid
4693 RETENTIONTIME: 686.08
4694 RETENTIONINDEX: 4129.404762
4695 NUM PEAKS: 12
4696 74.0150902037221 2372182.0
4697 104.025649684714 4604862.0
4698 106.041333481647 2081202.0
4699 118.94907868238 1720480.0
4700 120.947014116342 1853520.0
4701 121.101146087125 2482878.0
4702 128.002386736237 1919409.0
4703 132.056801528299 3996546.0
4704 136.088272058005 1945447.0
4705 167.033925111284 1881261.0
4706 175.039293955064 16605057.0
4707 384.95306345004 1393493.0
4708
4709 NAME: C068
4710 IONMODE: Negative
4711 SPECTRUMTYPE: Centroid
4712 RETENTIONTIME: 686.11
4713 RETENTIONINDEX: 4129.494048
4714 NUM PEAKS: 21
4715 92.9335116983518 1882828.0
4716 98.0362667219865 3093224.0
4717 104.062092290839 35409215.0
4718 107.085523385974 2557653.0
4719 108.05698823422 1567574.0
4720 109.028423948016 2007820.0
4721 116.062394691874 4440958.0
4722 120.057066344741 2651812.0
4723 120.964743558884 2061627.0
4724 120.977103732506 5789497.0
4725 126.046412360448 1515452.0
4726 139.054661751527 2909359.0
4727 154.077930855696 4129252.0
4728 162.969598708398 15733275.0
4729 178.077639167684 2811466.0
4730 200.873003176676 1805452.0
4731 241.091548794114 4285833.0
4732 279.07176813553 11296950.0
4733 357.066408431597 18015931.0
4734 371.118984650926 2329755.0
4735 373.020013834348 1334420.0
4736
4737 NAME: C089
4738 IONMODE: Negative
4739 SPECTRUMTYPE: Centroid
4740 RETENTIONTIME: 686.47
4741 RETENTIONINDEX: 4130.565476
4742 NUM PEAKS: 15
4743 73.0284065910991 1553911.0
4744 91.0542491634563 39834962.0
4745 99.0440512877521 1974452.0
4746 114.067538309222 1780826.0
4747 119.032003268802 3136670.0
4748 179.964012974766 2047087.0
4749 192.000472916517 8505154.0
4750 192.980160208434 26226012.0
4751 212.082902399792 1176924.0
4752 212.987529653552 3976613.0
4753 223.096869312418 3614266.0
4754 228.038858506245 2980012.0
4755 268.978451068759 12366946.0
4756 268.995660065308 11620445.0
4757 504.108037677207 1628450.0
4758
4759 NAME: C028
4760 IONMODE: Negative
4761 SPECTRUMTYPE: Centroid
4762 RETENTIONTIME: 686.64
4763 RETENTIONINDEX: 4131.071429
4764 NUM PEAKS: 37
4765 77.0385523178361 7668362.0
4766 78.0464678776025 17319313.0
4767 79.0542606689319 2904348.0
4768 88.9510113857997 2439712.0
4769 89.0385704861689 3355834.0
4770 92.057660976223 2879321.0
4771 95.0491811761544 1998774.0
4772 102.04646725429 3400914.0
4773 105.069957582721 5675971.0
4774 115.054182654207 9716653.0
4775 118.077720405861 5394116.0
4776 128.061981218478 4093835.0
4777 137.008549033237 5914490.0
4778 138.987684351396 2553780.0
4779 141.069849381195 2749159.0
4780 153.003209528696 5025385.0
4781 153.069742444283 2210223.0
4782 155.085611606336 1761830.0
4783 161.077981144155 2605379.0
4784 169.034685505322 4162150.0
4785 185.092175287606 1912104.0
4786 192.008016238982 1261671.0
4787 193.016675702985 7164164.0
4788 194.99573281518 18486379.0
4789 196.975032053094 14363577.0
4790 208.101122598463 2611232.0
4791 208.105724404211 4517486.0
4792 209.081187187617 10329646.0
4793 225.042800158645 335927310.0
4794 225.075711292344 4851132.0
4795 227.022154115241 61980398.0
4796 229.001495256691 15378341.0
4797 254.999091183823 2546060.0
4798 283.030754349748 30753432.0
4799 285.027184878933 4699884.0
4800 359.167478739011 3613836.0
4801 429.088685133481 14549168.0
4802
4803 NAME: C045
4804 IONMODE: Negative
4805 SPECTRUMTYPE: Centroid
4806 RETENTIONTIME: 687.16
4807 RETENTIONINDEX: 4132.619048
4808 NUM PEAKS: 28
4809 105.999073433196 1775283.0
4810 160.953991092503 1226737.0
4811 177.984755523284 1479527.0
4812 180.00042964013 1385258.0
4813 180.943758608915 2947399.0
4814 180.961381219577 1317069.0
4815 195.995454001979 3008113.0
4816 196.992752093539 2120075.0
4817 197.974508055988 2732236.0
4818 198.95441899853 1451189.0
4819 212.970014961884 2160212.0
4820 213.006147303489 2386663.0
4821 214.98560992714 3498027.0
4822 220.957069324217 1204344.0
4823 222.936453968368 1331807.0
4824 229.019119616188 6915685.0
4825 230.00074243328 2982993.0
4826 236.98832473252 1185682.0
4827 240.946899738586 2559944.0
4828 253.982966844011 1811236.0
4829 269.977845781938 2553313.0
4830 270.975426915952 1846637.0
4831 270.993770069105 3843846.0
4832 297.079403794841 2265634.0
4833 298.934550867121 1902191.0
4834 328.980928284848 2078425.0
4835 330.960641905517 2496978.0
4836 372.953096157169 1698848.0
4837
4838 NAME: C059
4839 IONMODE: Negative
4840 SPECTRUMTYPE: Centroid
4841 RETENTIONTIME: 687.19
4842 RETENTIONINDEX: 4132.708333
4843 NUM PEAKS: 23
4844 80.0620765354967 1367388.0
4845 136.065044831382 2383108.0
4846 165.018522207578 1490579.0
4847 177.054850582306 1715492.0
4848 197.0447348755 2257945.0
4849 247.009386724864 1552302.0
4850 254.016874895688 1680817.0
4851 255.065676926338 1971410.0
4852 269.065487974181 2117450.0
4853 309.025048240716 1629353.0
4854 314.054793002073 1453078.0
4855 325.020655205337 2109865.0
4856 386.023578798336 1586400.0
4857 388.999407801019 1970353.0
4858 402.125119059459 1757033.0
4859 418.104755720276 1979130.0
4860 429.15842393457 2365155.0
4861 432.085818745259 1605699.0
4862 447.038666154564 1675692.0
4863 492.123604610037 2835309.0
4864 521.057525769865 1895316.0
4865 537.108203290775 2083922.0
4866 639.163320546658 1667646.0
4867
4868 NAME: C054
4869 IONMODE: Negative
4870 SPECTRUMTYPE: Centroid
4871 RETENTIONTIME: 687.37
4872 RETENTIONINDEX: 4133.244048
4873 NUM PEAKS: 24
4874 88.987346245026 1186166.0
4875 105.065429760759 3295402.0
4876 135.062506582903 9834654.0
4877 176.985221859239 10892050.0
4878 191.00079976571 20303795.0
4879 193.049676903945 31852285.0
4880 207.032249954825 118784503.0
4881 207.101729599246 31783475.0
4882 211.060284722898 40766117.0
4883 223.063767336705 22150396.0
4884 225.05913049841 3018417.0
4885 234.972703586346 1989866.0
4886 266.999139053353 60229857.0
4887 267.998244494498 14358288.0
4888 324.986289945575 15633032.0
4889 326.965482601009 6628731.0
4890 327.105042463348 20521100.0
4891 341.017202899166 38106486.0
4892 342.017560119586 9402585.0
4893 355.069651378091 43963691.0
4894 356.069656449758 14891739.0
4895 359.027869249217 19947604.0
4896 400.984556846997 4570748.0
4897 415.036378614299 8092242.0
4898
4899 NAME: C018
4900 IONMODE: Negative
4901 SPECTRUMTYPE: Centroid
4902 RETENTIONTIME: 687.52
4903 RETENTIONINDEX: 4133.690476
4904 NUM PEAKS: 50
4905 74.7638980336922 1315359.0
4906 92.0621253034594 11206795.0
4907 96.0041781292944 2402236.0
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4955
4956 NAME: C012
4957 IONMODE: Negative
4958 SPECTRUMTYPE: Centroid
4959 RETENTIONTIME: 687.83
4960 RETENTIONINDEX: 4134.613095
4961 NUM PEAKS: 57
4962 78.0419846383593 1742200.0
4963 79.0497716096318 1893817.0
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5019
5020 NAME: C065
5021 IONMODE: Negative
5022 SPECTRUMTYPE: Centroid
5023 RETENTIONTIME: 687.85
5024 RETENTIONINDEX: 4134.672619
5025 NUM PEAKS: 22
5026 149.078050198602 13785551.0
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5048
5049 NAME: C020
5050 IONMODE: Negative
5051 SPECTRUMTYPE: Centroid
5052 RETENTIONTIME: 687.99
5053 RETENTIONINDEX: 4135.089286
5054 NUM PEAKS: 43
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5098
5099 NAME: C019
5100 IONMODE: Negative
5101 SPECTRUMTYPE: Centroid
5102 RETENTIONTIME: 688.11
5103 RETENTIONINDEX: 4135.446429
5104 NUM PEAKS: 45
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5150