Mercurial > repos > recetox > matchms
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
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| -1:000000000000 | 0:30e680e555d4 |
|---|---|
| 1 NAME: C041 | |
| 2 IONMODE: Negative | |
| 3 SPECTRUMTYPE: Centroid | |
| 4 RETENTIONTIME: 122.44 | |
| 5 RETENTIONINDEX: 1079.198718 | |
| 6 NUM PEAKS: 32 | |
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| 39 | |
| 40 NAME: C078 | |
| 41 IONMODE: Negative | |
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| 43 RETENTIONTIME: 123.01 | |
| 44 RETENTIONINDEX: 1084.222756 | |
| 45 NUM PEAKS: 19 | |
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| 173 NAME: C108 | |
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| 177 RETENTIONINDEX: 1139.047619 | |
| 178 NUM PEAKS: 13 | |
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| 239 RETENTIONINDEX: 1178.666667 | |
| 240 NUM PEAKS: 11 | |
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| 253 NAME: C114 | |
| 254 IONMODE: Negative | |
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| 257 RETENTIONINDEX: 1183.666667 | |
| 258 NUM PEAKS: 12 | |
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| 276 RETENTIONINDEX: 1198.142857 | |
| 277 NUM PEAKS: 17 | |
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| 355 NAME: C029 | |
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| 471 196.975026481271 20217719.0 | |
| 472 196.984748552794 19874468.0 | |
| 473 198.96424566449 72346017.0 | |
| 474 199.963297827263 5467044.0 | |
| 475 205.053221806375 82933387.0 | |
| 476 205.107620579478 111245150.0 | |
| 477 206.052336167493 10720154.0 | |
| 478 207.032138830925 426977902.0 | |
| 479 208.031440261093 57430606.0 | |
| 480 209.011369194115 302828720.0 | |
| 481 209.029050079901 50708168.0 | |
| 482 210.010617857715 35883223.0 | |
| 483 210.991801987911 128071549.0 | |
| 484 211.000480092161 743842504.0 | |
| 485 211.00805688742 26890676.0 | |
| 486 211.027173442447 12370620.0 | |
| 487 211.990611024149 18083679.0 | |
| 488 211.999243763015 65527692.0 | |
| 489 212.004888193957 7737601.0 | |
| 490 212.987548322924 12961451.0 | |
| 491 212.997492056665 46711226.0 | |
| 492 213.003907930306 6906171.0 | |
| 493 225.052738922709 1011271502.0 | |
| 494 225.057028375661 91255219.0 | |
| 495 226.05171265661 114411575.0 | |
| 496 226.057514686039 8046737.0 | |
| 497 227.022393265404 18515063.0 | |
| 498 227.032031600798 154824168.0 | |
| 499 227.053121853469 84022808.0 | |
| 500 229.001419391767 27757772.0 | |
| 501 229.012369236307 28514573.0 | |
| 502 251.985356435974 8570399.0 | |
| 503 252.993951473513 57191251.0 | |
| 504 255.007906060993 55431372.0 | |
| 505 267.009873325928 175596459.0 | |
| 506 268.009674826672 25470696.0 | |
| 507 269.006733543281 13560432.0 | |
| 508 269.024042851997 91390111.0 | |
| 509 270.02371331098 13571218.0 | |
| 510 271.021086849643 9829234.0 | |
| 511 283.039247376978 1276736941.0 | |
| 512 284.039500186972 189359258.0 | |
| 513 285.036092118329 127250506.0 | |
| 514 286.036455644033 7350962.0 | |
| 515 295.607327049769 8665637.0 | |
| 516 297.796218685009 9363913.0 | |
| 517 298.06385192993 71565456.0 | |
| 518 299.039524081663 22991839.0 | |
| 519 299.071009675447 17982471221.0 | |
| 520 299.091280733541 94471375.0 | |
| 521 299.105750743283 19854776.0 | |
| 522 300.071429803414 3279781647.0 | |
| 523 300.354869573157 8525114.0 | |
| 524 301.067910960327 1817775689.0 | |
| 525 302.066664426294 211425913.0 | |
| 526 302.596538333077 8124158.0 | |
| 527 303.063261329832 58372101.0 | |
| 528 313.087644860317 20393419.0 | |
| 529 314.094743792248 1024035232.0 | |
| 530 315.094383693371 179663587.0 | |
| 531 316.09117729535 96776013.0 | |
| 532 317.091528595518 10329818.0 | |
| 533 | |
| 534 NAME: C113 | |
| 535 IONMODE: Negative | |
| 536 SPECTRUMTYPE: Centroid | |
| 537 RETENTIONTIME: 159.66 | |
| 538 RETENTIONINDEX: 1272.1875 | |
| 539 NUM PEAKS: 12 | |
| 540 130.050292350084 42438893.0 | |
| 541 143.088711975578 54665407.0 | |
| 542 154.992214439051 2312559.0 | |
| 543 158.126306598033 40609323.0 | |
| 544 158.143470474817 52113508.0 | |
| 545 159.139363251086 130181687.0 | |
| 546 160.132742402712 13616152.0 | |
| 547 160.138684315506 28544716.0 | |
| 548 160.142489428873 21795583.0 | |
| 549 161.135963439908 16077090.0 | |
| 550 233.156723917601 27713524.0 | |
| 551 234.15166420748 23988016.0 | |
| 552 | |
| 553 NAME: C107 | |
| 554 IONMODE: Negative | |
| 555 SPECTRUMTYPE: Centroid | |
| 556 RETENTIONTIME: 160.43 | |
| 557 RETENTIONINDEX: 1276.197917 | |
| 558 NUM PEAKS: 13 | |
| 559 73.0495629046099 31821979.0 | |
| 560 84.0808164435885 16975323.0 | |
| 561 101.065543802506 26056043.0 | |
| 562 130.104722855518 16154847.0 | |
| 563 141.127329272361 3236812.0 | |
| 564 158.135958596098 3210803859.0 | |
| 565 162.997506626915 1225047.0 | |
| 566 170.099553936232 53801265.0 | |
| 567 171.103006972256 2804548.0 | |
| 568 177.075862455679 13872338.0 | |
| 569 181.008413372885 2025245.0 | |
| 570 232.154901090901 170006321.0 | |
| 571 233.138787341634 31188565.0 | |
| 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 | |
| 1147 96.0263971718118 8694130.0 | |
| 1148 97.0760843858935 5191823.0 | |
| 1149 98.0420971537648 44148659.0 | |
| 1150 110.042094933292 17569164.0 | |
| 1151 112.057757845851 120425308.0 | |
| 1152 113.060878117354 11530464.0 | |
| 1153 113.065475349947 29433959.0 | |
| 1154 115.068660545159 14885084.0 | |
| 1155 117.096785073614 41610153.0 | |
| 1156 128.088974937905 3176257102.0 | |
| 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 | |
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| 2741 179.081486447783 7029930.0 | |
| 2742 180.047488487863 6887272.0 | |
| 2743 181.079036591706 29074392.0 | |
| 2744 182.087014052977 13760713.0 | |
| 2745 182.099591005081 6217729.0 | |
| 2746 184.078890320729 22831122.0 | |
| 2747 185.110259256924 10498695.0 | |
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| 2750 194.099507858777 7280353.0 | |
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| 2762 210.094325451895 13575347.0 | |
| 2763 211.089848595549 23856594.0 | |
| 2764 212.097009756898 13775311.0 | |
| 2765 213.105228486782 73929890.0 | |
| 2766 219.09527736534 8505195.0 | |
| 2767 221.074300407885 14508487.0 | |
| 2768 225.105533091326 19016199.0 | |
| 2769 233.102475979575 15389167.0 | |
| 2770 242.10246806473 19687380.0 | |
| 2771 242.126657609235 11066324.0 | |
| 2772 243.134206462776 50646552.0 | |
| 2773 244.119452816047 30022076.0 | |
| 2774 245.114820894281 11088338.0 | |
| 2775 254.102870594529 5350655.0 | |
| 2776 255.134441237269 46732255.0 | |
| 2777 269.113908264442 46534893.0 | |
| 2778 270.134437529958 7090136.0 | |
| 2779 271.128972048701 37425633.0 | |
| 2780 273.144669229945 9722721.0 | |
| 2781 274.128730992046 139451474.0 | |
| 2782 275.131908166958 15282348.0 | |
| 2783 284.113416878425 8739042.0 | |
| 2784 284.137011207473 19427028.0 | |
| 2785 301.139887685895 13069124.0 | |
| 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 | |
| 2826 114.054970932673 26844038.0 | |
| 2827 116.052581648017 64632103.0 | |
| 2828 127.057390248286 25205024.0 | |
| 2829 143.063465628786 15227989.0 | |
| 2830 153.066212511408 20308902.0 | |
| 2831 155.052193908908 11192129.0 | |
| 2832 171.094683162695 145870739.0 | |
| 2833 173.086678279934 138408757.0 | |
| 2834 179.063456376317 25151325.0 | |
| 2835 185.07395505389 10245677.0 | |
| 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 | |
| 2848 285.144932643761 43021732.0 | |
| 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 | |
| 2868 153.072839624251 4520937.0 | |
| 2869 177.076273317809 24683428.0 | |
| 2870 181.067313356117 5000321.0 | |
| 2871 189.076124128862 137616624.0 | |
| 2872 191.091545005862 1271941341.0 | |
| 2873 192.093082227574 162051910.0 | |
| 2874 193.088516871839 79021596.0 | |
| 2875 203.05526208632 7596834.0 | |
| 2876 203.091758399588 16094434.0 | |
| 2877 204.099524919261 479242795.0 | |
| 2878 205.053116336146 17657713.0 | |
| 2879 205.070877855025 12997271.0 | |
| 2880 205.098648436094 35529589.0 | |
| 2881 206.096652118325 38137097.0 | |
| 2882 207.068717751505 5872517.0 | |
| 2883 215.091963730439 57346579.0 | |
| 2884 217.071268460144 101151529.0 | |
| 2885 217.107439740029 3008061011.0 | |
| 2886 217.120599219026 18976724.0 | |
| 2887 218.071421909215 7584138.0 | |
| 2888 218.111157422962 135615929.0 | |
| 2889 219.067855798403 8668305.0 | |
| 2890 221.084188869749 459386964.0 | |
| 2891 222.082806852273 62375377.0 | |
| 2892 223.081082300298 43091167.0 | |
| 2893 228.099433659776 13084548.0 | |
| 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 | |
| 3821 108.892755028855 10025072.0 | |
| 3822 108.910464238813 10018665.0 | |
| 3823 110.042100519649 5719833.0 | |
| 3824 110.908368345928 10546721.0 | |
| 3825 113.065488251705 3653171.0 | |
| 3826 146.117107655767 32728599.0 | |
| 3827 154.068046860701 10256673.0 | |
| 3828 167.099734800349 27569474.0 | |
| 3829 174.10381124341 10875667.0 | |
| 3830 174.112715553449 1374226795.0 | |
| 3831 175.112210626881 186301499.0 | |
| 3832 176.109484907921 77341701.0 | |
| 3833 176.115627055979 11947090.0 | |
| 3834 183.14363558598 3122862.0 | |
| 3835 198.113272140702 5672910.0 | |
| 3836 202.14398863116 5224970.0 | |
| 3837 211.162373182354 3984101.0 | |
| 3838 226.113237521737 8140673.0 | |
| 3839 237.141986562463 8791332.0 | |
| 3840 239.157252324119 6947219.0 | |
| 3841 256.118482093067 12826496.0 | |
| 3842 269.1682924135 14348202.0 | |
| 3843 288.144510500905 47092313.0 | |
| 3844 289.147739066377 14621715.0 | |
| 3845 383.181393903392 36640225.0 | |
| 3846 384.184939233516 13794476.0 | |
| 3847 415.190604017868 5365814.0 | |
| 3848 416.191186535682 4499496.0 | |
| 3849 440.221484659875 8682110.0 | |
| 3850 444.228496623713 32384256.0 | |
| 3851 445.230540241054 13763485.0 | |
| 3852 482.218855944403 8976329.0 | |
| 3853 530.271895174229 23060424.0 | |
| 3854 531.272877641484 12909294.0 | |
| 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 | |
| 3868 114.073428499901 155475232.0 | |
| 3869 116.089026787899 1574885266.0 | |
| 3870 117.088575456065 70784735.0 | |
| 3871 118.085795569372 34843255.0 | |
| 3872 129.096900718872 103842083.0 | |
| 3873 130.096424956022 3537439.0 | |
| 3874 130.104732313687 128212693.0 | |
| 3875 131.104195171215 4285997.0 | |
| 3876 131.108106912226 5547407.0 | |
| 3877 141.096739267978 4815919.0 | |
| 3878 142.104767574255 509329028.0 | |
| 3879 143.108017488306 39968261.0 | |
| 3880 144.120327874097 2393485501.0 | |
| 3881 145.12173923044 77539295.0 | |
| 3882 146.123009722424 16238684.0 | |
| 3883 152.088973772447 5357544.0 | |
| 3884 154.104708801686 63215785.0 | |
| 3885 156.120247878266 418910163.0 | |
| 3886 160.097244503421 583186312.0 | |
| 3887 161.096687688088 73127265.0 | |
| 3888 162.094031165753 41078258.0 | |
| 3889 170.08258812398 13533638.0 | |
| 3890 172.0972937679 688687598.0 | |
| 3891 172.132676016457 3677741.0 | |
| 3892 173.097351471245 93145255.0 | |
| 3893 182.13592579777 10898812.0 | |
| 3894 186.112685146004 83531516.0 | |
| 3895 201.136154093747 101891375.0 | |
| 3896 202.135625702837 7645841.0 | |
| 3897 203.133082621727 6458697.0 | |
| 3898 269.186400344032 4397744.0 | |
| 3899 287.179115764836 8122367.0 | |
| 3900 299.233271021225 12118602.0 | |
| 3901 303.209981393679 17356689.0 | |
| 3902 329.225591576827 39029170.0 | |
| 3903 330.227101851677 22295674.0 | |
| 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 | |
| 3918 136.941717818643 60109846.0 | |
| 3919 138.93972685962 57371725.0 | |
| 3920 181.085626973342 13518254.0 | |
| 3921 275.13262227526 34015718.0 | |
| 3922 294.106720451328 9833144.0 | |
| 3923 326.134995342443 36837919.0 | |
| 3924 398.116187919217 8154356.0 | |
| 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 | |
| 3939 239.055295256251 6339160.0 | |
| 3940 270.110326645656 11649153.0 | |
| 3941 293.102658860494 24534157.0 | |
| 3942 308.125938697376 41338651.0 | |
| 3943 309.128619076009 9724743.0 | |
| 3944 373.090233719639 7444260.0 | |
| 3945 373.125005694078 6181514.0 | |
| 3946 399.328299248755 1785560.0 | |
| 3947 407.091832239789 1782062.0 | |
| 3948 429.152039224628 6968152.0 | |
| 3949 433.208165928489 8238778.0 | |
| 3950 434.209578326242 13520716.0 | |
| 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 | |
| 3966 225.016197747059 652487.0 | |
| 3967 230.078810032037 4830561.0 | |
| 3968 255.086554559247 10405199.0 | |
| 3969 315.102721812664 44899033.0 | |
| 3970 316.102389737487 8795064.0 | |
| 3971 317.081716363089 7692971.0 | |
| 3972 317.141985119681 6662863.0 | |
| 3973 318.082488852615 717401.0 | |
| 3974 319.078790440608 1439712.0 | |
| 3975 342.149036618437 10085625.0 | |
| 3976 343.15728471608 11595391.0 | |
| 3977 345.13655980155 8350972.0 | |
| 3978 371.129441802782 9740712.0 | |
| 3979 372.129827086617 2220080.0 | |
| 3980 385.108311678976 1210089.0 | |
| 3981 386.134294504807 3000813.0 | |
| 3982 391.117143776424 1641688.0 | |
| 3983 422.115869133579 1065019.0 | |
| 3984 423.123156299875 1273668.0 | |
| 3985 430.15356607848 5088240.0 | |
| 3986 445.147122221048 24141183.0 | |
| 3987 446.149390657122 10155114.0 | |
| 3988 447.142657769277 8046928.0 | |
| 3989 448.145703168269 630739.0 | |
| 3990 457.148443398341 594920.0 | |
| 3991 461.169944823223 2623695.0 | |
| 3992 461.178812403343 52320696.0 | |
| 3993 462.180517288488 18531358.0 | |
| 3994 463.176454840769 7765411.0 | |
| 3995 464.17694772706 3514790.0 | |
| 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 | |
| 4010 298.129112627451 5063929.0 | |
| 4011 314.144014713542 15443451.0 | |
| 4012 330.155058551342 24985986.0 | |
| 4013 382.197118737522 5348940.0 | |
| 4014 471.262541764786 1453873.0 | |
| 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 | |
| 4029 131.076026122963 16987943.0 | |
| 4030 133.064578600476 6302737.0 | |
| 4031 133.076096985488 6728839.0 | |
| 4032 142.122590204459 873953.0 | |
| 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 | |
| 4047 128.062047037701 6952364.0 | |
| 4048 143.088680889014 22230277.0 | |
| 4049 148.075647089784 7462412.0 | |
| 4050 167.088723643923 7473684.0 | |
| 4051 169.104319112695 10907533.0 | |
| 4052 170.108122394932 1128824.0 | |
| 4053 185.095395837561 3577942.0 | |
| 4054 185.132380916644 3362634.0 | |
| 4055 193.104078598795 4431494.0 | |
| 4056 211.111807798743 8977996.0 | |
| 4057 211.148156111988 6752012.0 | |
| 4058 212.110165228441 6784988.0 | |
| 4059 226.089535059062 15185348.0 | |
| 4060 233.102515965042 7940032.0 | |
| 4061 255.122979031483 7906659.0 | |
| 4062 261.167212087518 1694859.0 | |
| 4063 273.167378839384 3167347.0 | |
| 4064 292.172909927809 2141806.0 | |
| 4065 351.217488143476 2845076.0 | |
| 4066 392.214532169021 2391046.0 | |
| 4067 393.227141019897 5900852.0 | |
| 4068 460.283095533751 1163129.0 | |
| 4069 481.262106443751 6423818.0 | |
| 4070 482.264034187953 2330060.0 | |
| 4071 484.280021734427 3011739.0 | |
| 4072 552.348366341111 2284701.0 | |
| 4073 566.351974463013 2747288.0 | |
| 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 | |
| 4086 144.092724964245 8101446.0 | |
| 4087 146.104495993783 3472368.0 | |
| 4088 146.108998642598 5275581.0 | |
| 4089 157.100681828941 15466323.0 | |
| 4090 221.135677106848 6493484.0 | |
| 4091 247.24204361769 5684100.0 | |
| 4092 276.177865935715 11516082.0 | |
| 4093 277.161848392472 6359494.0 | |
| 4094 355.21145449642 1945523.0 | |
| 4095 366.203075648963 4259770.0 | |
| 4096 367.21156788675 4834371.0 | |
| 4097 386.251418409681 3937778.0 | |
| 4098 394.23045634644 2615090.0 | |
| 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 | |
| 4112 388.003172377034 4545808.0 | |
| 4113 418.105103772977 4644631.0 | |
| 4114 474.285607584816 4511747.0 | |
| 4115 475.288712499191 1535418.0 | |
| 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 | |
| 4130 289.161669617091 9649483.0 | |
| 4131 325.020625386455 4591010.0 | |
| 4132 336.199147768264 2324666.0 | |
| 4133 346.219163891658 4012605.0 | |
| 4134 521.057626421782 4896074.0 | |
| 4135 565.339246900235 2425322.0 | |
| 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 | |
| 4146 307.191832235754 659769.0 | |
| 4147 308.204377663171 840545.0 | |
| 4148 345.04614255835 6228831.0 | |
| 4149 371.297931031692 6038562.0 | |
| 4150 378.227557177333 4391519.0 | |
| 4151 379.230376184242 823447.0 | |
| 4152 380.243191751243 1586014.0 | |
| 4153 385.313310945703 427304.0 | |
| 4154 610.132186594456 4261169.0 | |
| 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 | |
| 4167 328.03532937693 56080642.0 | |
| 4168 488.213781434083 6162748.0 | |
| 4169 525.292961384581 4334251.0 | |
| 4170 526.296041167189 1715835.0 | |
| 4171 640.340180111207 1576630.0 | |
| 4172 641.341574856637 754430.0 | |
| 4173 655.364013902467 1617432.0 | |
| 4174 656.364838667487 794847.0 | |
| 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 | |
| 4183 139.038996520846 745717.0 | |
| 4184 159.047273175015 8890554.0 | |
| 4185 162.054978603596 570773.0 | |
| 4186 167.033840626288 6408534.0 | |
| 4187 187.078483525238 4990846.0 | |
| 4188 192.066380296325 8265523.0 | |
| 4189 196.060509740673 12112124.0 | |
| 4190 208.060638207996 5353250.0 | |
| 4191 227.073605801185 7713301.0 | |
| 4192 234.074893224332 14841417.0 | |
| 4193 235.07936789149 937541.0 | |
| 4194 259.141764658932 22735857.0 | |
| 4195 270.115652387086 17104463.0 | |
| 4196 298.110609077946 33064195.0 | |
| 4197 299.113567689431 8775380.0 | |
| 4198 300.144316983652 34040196.0 | |
| 4199 310.11043214709 4131584.0 | |
| 4200 324.12633578117 15927030.0 | |
| 4201 358.149702869035 13042085.0 | |
| 4202 376.161028159043 7153436.0 | |
| 4203 414.176139400716 9074555.0 | |
| 4204 415.178595464901 6276356.0 | |
| 4205 443.184966351151 1475104.0 | |
| 4206 478.210856498545 18468268.0 | |
| 4207 502.419688454427 603309.0 | |
| 4208 504.209456792547 329424.0 | |
| 4209 504.22591790075 14337099.0 | |
| 4210 505.229611771036 9594940.0 | |
| 4211 506.224401680961 4137829.0 | |
| 4212 552.266802257116 6209498.0 | |
| 4213 578.247193943156 1696639.0 | |
| 4214 579.248662341027 926190.0 | |
| 4215 594.27700383899 4948544.0 | |
| 4216 595.281245956406 5439786.0 | |
| 4217 608.312095522762 2270125.0 | |
| 4218 627.308707841513 2019744.0 | |
| 4219 684.329277730748 2352283.0 | |
| 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 | |
| 4230 82.3283746811685 1196631.0 | |
| 4231 88.3283941477269 1028014.0 | |
| 4232 91.0542569755102 85402696.0 | |
| 4233 92.057636778598 7355697.0 | |
| 4234 92.08419302531 1132732.0 | |
| 4235 94.0733070011291 3889576.0 | |
| 4236 108.08883876221 4337453.0 | |
| 4237 108.09331080561 5382482.0 | |
| 4238 110.104557499963 3684338.0 | |
| 4239 120.088927025685 5840462.0 | |
| 4240 120.093363991862 18136057.0 | |
| 4241 121.09700673659 1481503.0 | |
| 4242 122.104467455438 6342814.0 | |
| 4243 122.109007817844 5501422.0 | |
| 4244 129.072703863173 165347599.0 | |
| 4245 130.072766970682 8011610.0 | |
| 4246 130.076487415793 7214640.0 | |
| 4247 132.093332978219 9521817.0 | |
| 4248 134.104632630405 4460893.0 | |
| 4249 136.120209954776 3822389.0 | |
| 4250 136.124634436885 1961464.0 | |
| 4251 137.132483969006 11512690.0 | |
| 4252 138.135748313291 1167964.0 | |
| 4253 146.104336778046 9451302.0 | |
| 4254 146.10895874309 9625734.0 | |
| 4255 148.124535089325 8543753.0 | |
| 4256 149.13252530075 23335319.0 | |
| 4257 150.135578678231 3366619.0 | |
| 4258 151.147979664568 6653472.0 | |
| 4259 157.10102000482 20469233.0 | |
| 4260 159.116757656893 51375551.0 | |
| 4261 160.124577046282 25802247.0 | |
| 4262 161.132408952607 30671465.0 | |
| 4263 162.135832350855 5512666.0 | |
| 4264 162.140260203304 5791727.0 | |
| 4265 163.147965907767 29954453.0 | |
| 4266 164.151233259397 5771386.0 | |
| 4267 165.163369242261 5318399.0 | |
| 4268 169.104410526453 8062623.0 | |
| 4269 171.116827012348 18246416.0 | |
| 4270 173.132450599756 25484464.0 | |
| 4271 174.138185081777 9689089.0 | |
| 4272 175.148155219678 15800437.0 | |
| 4273 176.15153622842 2909924.0 | |
| 4274 177.163609702921 14021529.0 | |
| 4275 178.166602029859 2005736.0 | |
| 4276 179.178718089774 4578526.0 | |
| 4277 185.13242973467 14730920.0 | |
| 4278 186.140223452716 2426501.0 | |
| 4279 187.147936033357 12024278.0 | |
| 4280 188.152967971112 2450425.0 | |
| 4281 189.163587703438 14828774.0 | |
| 4282 190.166699474079 2753204.0 | |
| 4283 191.179353688003 9287015.0 | |
| 4284 192.182618296882 1468952.0 | |
| 4285 193.195126791908 6291696.0 | |
| 4286 199.148125910147 17515810.0 | |
| 4287 200.155899410209 5929850.0 | |
| 4288 201.163606372509 16373494.0 | |
| 4289 202.166963586276 2963997.0 | |
| 4290 203.179597701892 25899263.0 | |
| 4291 204.18285719336 4724938.0 | |
| 4292 205.195196169602 8800208.0 | |
| 4293 206.202938133338 4573220.0 | |
| 4294 207.209932530154 4634568.0 | |
| 4295 213.163606081894 27771946.0 | |
| 4296 214.166941808588 7248493.0 | |
| 4297 214.172003388011 2560619.0 | |
| 4298 215.179278703734 15579899.0 | |
| 4299 216.182607084588 2806267.0 | |
| 4300 217.19503711512 22623441.0 | |
| 4301 218.197999976334 4283364.0 | |
| 4302 219.210613084576 17835045.0 | |
| 4303 220.213542545681 3107974.0 | |
| 4304 221.22585465571 1112010.0 | |
| 4305 227.179184150695 10266249.0 | |
| 4306 229.195092245233 8479599.0 | |
| 4307 230.198520405678 1512297.0 | |
| 4308 231.209855103064 6631668.0 | |
| 4309 232.213536523501 1154923.0 | |
| 4310 233.225592367444 20781341.0 | |
| 4311 234.229302168729 3671518.0 | |
| 4312 241.195034760735 7453795.0 | |
| 4313 245.226162187032 10987311.0 | |
| 4314 246.233759914797 3928238.0 | |
| 4315 247.241903470725 34088599.0 | |
| 4316 248.245559155714 7136408.0 | |
| 4317 255.210974513013 52501395.0 | |
| 4318 256.213852907184 11854021.0 | |
| 4319 259.242308351489 14234632.0 | |
| 4320 260.250198864262 3651020.0 | |
| 4321 261.258138270148 1401051.0 | |
| 4322 269.22650899089 1870329.0 | |
| 4323 273.257550597912 10507133.0 | |
| 4324 274.265991951803 2894052.0 | |
| 4325 275.273489793873 9588486.0 | |
| 4326 276.276406531617 1902902.0 | |
| 4327 285.257454346804 1168905.0 | |
| 4328 287.273437026002 1780360.0 | |
| 4329 290.205978284428 3403602.0 | |
| 4330 291.214287296408 3280585.0 | |
| 4331 299.273490922892 3083859.0 | |
| 4332 301.288738927544 12588147.0 | |
| 4333 302.291964727734 2839173.0 | |
| 4334 313.288908703295 4682652.0 | |
| 4335 325.288562601968 3791998.0 | |
| 4336 326.296976016767 10070070.0 | |
| 4337 328.312060049446 31304469.0 | |
| 4338 329.320206601031 103557452.0 | |
| 4339 330.323340895114 33413403.0 | |
| 4340 331.326525286967 4234508.0 | |
| 4341 339.3045672974 13077766.0 | |
| 4342 340.312371786765 8034300.0 | |
| 4343 341.315200175342 2483611.0 | |
| 4344 342.327498389436 2394411.0 | |
| 4345 346.263737151805 1026815.0 | |
| 4346 354.32383876836 21123999.0 | |
| 4347 367.335904659768 5021631.0 | |
| 4348 368.34317293615 92837071.0 | |
| 4349 369.347017588821 32248471.0 | |
| 4350 370.350561179242 4967588.0 | |
| 4351 425.359787963844 1281367.0 | |
| 4352 429.354633109529 1368500.0 | |
| 4353 443.370317749092 18463087.0 | |
| 4354 444.37413582235 6464131.0 | |
| 4355 458.394395914106 33036024.0 | |
| 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 | |
| 4908 96.9938357952532 2816247.0 | |
| 4909 142.949133200664 1632731.0 | |
| 4910 146.07253965804 5600562.0 | |
| 4911 146.938422598673 3339085.0 | |
| 4912 147.080066384351 3363357.0 | |
| 4913 156.093186007163 2830628.0 | |
| 4914 164.949030139958 6260392.0 | |
| 4915 178.964482148007 15193545.0 | |
| 4916 193.979588455388 3340202.0 | |
| 4917 194.977060323591 1971786.0 | |
| 4918 203.000954298774 1743787.0 | |
| 4919 209.011554808631 115823584.0 | |
| 4920 209.029113642814 19239207.0 | |
| 4921 210.01053536351 13525043.0 | |
| 4922 210.02856105016 2845220.0 | |
| 4923 210.990970491228 26624333.0 | |
| 4924 211.00836812627 11453500.0 | |
| 4925 211.990172506941 3030372.0 | |
| 4926 223.027138632897 5388498.0 | |
| 4927 226.041539764125 55568400.0 | |
| 4928 227.039590062704 30315831.0 | |
| 4929 228.021238834046 8540695.0 | |
| 4930 236.952057886642 1637840.0 | |
| 4931 238.967668016334 4121826.0 | |
| 4932 239.004151623349 3285037.0 | |
| 4933 254.962852894029 7306850.0 | |
| 4934 265.020169474237 42733124.0 | |
| 4935 266.019164029332 8639027.0 | |
| 4936 269.014505230573 2878028.0 | |
| 4937 281.051364215883 177490258.0 | |
| 4938 282.049803555434 38689430.0 | |
| 4939 284.029739945336 7339074.0 | |
| 4940 285.009414657485 21693770.0 | |
| 4941 286.009062250596 5316029.0 | |
| 4942 287.006757898035 4613451.0 | |
| 4943 312.950339368404 2870255.0 | |
| 4944 312.986211377174 2448284.0 | |
| 4945 313.019993142226 1479514.0 | |
| 4946 326.982724315442 4863722.0 | |
| 4947 344.975776862771 10267994.0 | |
| 4948 345.976092174038 3016933.0 | |
| 4949 346.046486912175 1754291.0 | |
| 4950 346.973191534072 1590963.0 | |
| 4951 382.97408022551 1514772.0 | |
| 4952 386.969422084375 2096957.0 | |
| 4953 402.964369782575 1172149.0 | |
| 4954 493.152823320977 2513229.0 | |
| 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 | |
| 4964 85.0284186196566 2191757.0 | |
| 4965 121.046741626167 6162741.0 | |
| 4966 142.078087888737 3381352.0 | |
| 4967 192.997735629267 9539743.0 | |
| 4968 195.029110650825 3772846.0 | |
| 4969 205.016711322548 5926636.0 | |
| 4970 207.066696618797 3714385.0 | |
| 4971 209.098935410027 6173585.0 | |
| 4972 213.05754958053 13341991.0 | |
| 4973 219.06802937228 2601724.0 | |
| 4974 253.016653119059 43935840.0 | |
| 4975 269.047850642358 4644691.0 | |
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| 4980 313.113777264345 2391990.0 | |
| 4981 325.985953604199 8513850.0 | |
| 4982 327.03525664153 49155384.0 | |
| 4983 328.035343658 13109000.0 | |
| 4984 329.014530869431 3595462.0 | |
| 4985 331.063707530223 2063612.0 | |
| 4986 343.084122931946 3769846.0 | |
| 4987 345.046169172075 8812838.0 | |
| 4988 353.090427317747 2832675.0 | |
| 4989 359.09769204202 9873384.0 | |
| 4990 360.028136457829 10686927.0 | |
| 4991 360.169639740951 3818378.0 | |
| 4992 371.040514349465 1472266.0 | |
| 4993 387.002413998209 12940469.0 | |
| 4994 387.071825807939 15096984.0 | |
| 4995 389.068871345424 1810336.0 | |
| 4996 402.055174276849 12479459.0 | |
| 4997 404.05195192305 1405422.0 | |
| 4998 458.971973456131 1214840.0 | |
| 4999 459.041861218696 1286084.0 | |
| 5000 460.952039584771 4371596.0 | |
| 5001 461.021207128847 2869881.0 | |
| 5002 461.090256355859 17842323.0 | |
| 5003 461.951796665319 1222018.0 | |
| 5004 462.091555156095 6970195.0 | |
| 5005 463.088708091285 2556050.0 | |
| 5006 475.072310244956 13564752.0 | |
| 5007 476.003821454759 1471505.0 | |
| 5008 476.143434019655 13026182.0 | |
| 5009 477.140480798609 4944561.0 | |
| 5010 478.141485242814 1506934.0 | |
| 5011 479.101672410454 3603024.0 | |
| 5012 490.12632015072 18188437.0 | |
| 5013 491.122346777972 10290558.0 | |
| 5014 549.162553092955 24746614.0 | |
| 5015 563.144239233773 12735845.0 | |
| 5016 624.183209223215 7134906.0 | |
| 5017 637.164550513183 3866368.0 | |
| 5018 698.205944560218 1919968.0 | |
| 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 | |
| 5027 179.001079202526 15895715.0 | |
| 5028 191.037450977787 6425748.0 | |
| 5029 208.031533225641 50206470.0 | |
| 5030 209.047732156056 2402702.0 | |
| 5031 224.063049376575 5028073.0 | |
| 5032 237.079282533047 3254126.0 | |
| 5033 249.987809880519 7068049.0 | |
| 5034 250.967699771612 4666725.0 | |
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| 5036 251.00396611366 4712547.0 | |
| 5037 252.983678728064 24136227.0 | |
| 5038 267.016209949758 5864415.0 | |
| 5039 283.063228005498 1245664.0 | |
| 5040 285.04434812945 5580645.0 | |
| 5041 285.079068565003 8168809.0 | |
| 5042 323.006809434282 4228442.0 | |
| 5043 342.088126205946 12649128.0 | |
| 5044 343.014343300482 13057700.0 | |
| 5045 343.066328014548 11668807.0 | |
| 5046 344.014693258176 2143320.0 | |
| 5047 400.005631091464 1275209.0 | |
| 5048 | |
| 5049 NAME: C020 | |
| 5050 IONMODE: Negative | |
| 5051 SPECTRUMTYPE: Centroid | |
| 5052 RETENTIONTIME: 687.99 | |
| 5053 RETENTIONINDEX: 4135.089286 | |
| 5054 NUM PEAKS: 43 | |
| 5055 109.052235628516 1922885.0 | |
| 5056 111.044058476785 1730416.0 | |
| 5057 133.064909307365 1579533.0 | |
| 5058 137.041722086745 2474039.0 | |
| 5059 194.053642118165 5252308.0 | |
| 5060 212.061782732582 10437319.0 | |
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| 5069 339.03821058645 6627839.0 | |
| 5070 341.051986399316 1671451.0 | |
| 5071 342.996634492902 3939816.0 | |
| 5072 345.115297423962 3938049.0 | |
| 5073 358.067243216398 3526875.0 | |
| 5074 361.025211906011 6516476.0 | |
| 5075 388.003000430725 3422825.0 | |
| 5076 388.073272089579 4224454.0 | |
| 5077 399.005054559559 4141766.0 | |
| 5078 401.984326631505 5585170.0 | |
| 5079 402.98179623463 3562508.0 | |
| 5080 416.036473280551 7221552.0 | |
| 5081 417.033665098569 4129234.0 | |
| 5082 417.087073648909 1945166.0 | |
| 5083 418.994970709551 2648178.0 | |
| 5084 430.088321970134 10765018.0 | |
| 5085 431.085366629672 6887942.0 | |
| 5086 473.09370665615 2502410.0 | |
| 5087 475.002854889036 2969642.0 | |
| 5088 475.14184210128 30625723.0 | |
| 5089 477.070907310139 2271450.0 | |
| 5090 489.055479984185 1973511.0 | |
| 5091 503.107930410573 2407435.0 | |
| 5092 549.092119293556 2513579.0 | |
| 5093 552.160354111203 1673065.0 | |
| 5094 565.143723544965 3485979.0 | |
| 5095 610.132183060405 1997085.0 | |
| 5096 625.181479977537 3872339.0 | |
| 5097 697.202597429349 2820429.0 | |
| 5098 | |
| 5099 NAME: C019 | |
| 5100 IONMODE: Negative | |
| 5101 SPECTRUMTYPE: Centroid | |
| 5102 RETENTIONTIME: 688.11 | |
| 5103 RETENTIONINDEX: 4135.446429 | |
| 5104 NUM PEAKS: 45 | |
| 5105 70.261357375322 1769331.0 | |
| 5106 82.0777101637279 1721684.0 | |
| 5107 92.0256956423549 1063403.0 | |
| 5108 104.057597689888 2564581.0 | |
| 5109 106.07773010104 1697865.0 | |
| 5110 118.073139793174 3070732.0 | |
| 5111 135.080430341161 1465718.0 | |
| 5112 144.946939559008 1208427.0 | |
| 5113 145.046705119092 2856482.0 | |
| 5114 164.985419247789 16217649.0 | |
| 5115 179.033979756352 10865004.0 | |
| 5116 180.980322946522 4830502.0 | |
| 5117 191.070496682473 3188459.0 | |
| 5118 192.078428243192 3993484.0 | |
| 5119 194.04893073403 5942766.0 | |
| 5120 195.046783458568 4544081.0 | |
| 5121 211.026857856803 2083491.0 | |
| 5122 213.039588698474 3950087.0 | |
| 5123 213.998834302427 1664182.0 | |
| 5124 248.988380501455 23053112.0 | |
| 5125 251.037178293 10860752.0 | |
| 5126 265.054817014529 3722747.0 | |
| 5127 265.089588392487 3283162.0 | |
| 5128 283.099929585291 13668779.0 | |
| 5129 313.053040045895 8388200.0 | |
| 5130 329.031653006854 6682061.0 | |
| 5131 341.157248840923 18181095.0 | |
| 5132 385.022947628725 6484159.0 | |
| 5133 399.075287615392 4270821.0 | |
| 5134 401.053681557414 30562249.0 | |
| 5135 401.124275228471 4559258.0 | |
| 5136 403.051400482668 5874830.0 | |
| 5137 415.106669687654 54985895.0 | |
| 5138 416.107049345269 18386437.0 | |
| 5139 417.104122333661 8837789.0 | |
| 5140 476.073864807294 4515967.0 | |
| 5141 489.124198650628 43332063.0 | |
| 5142 535.10922525834 9870959.0 | |
| 5143 536.110887614382 4207959.0 | |
| 5144 550.163296442538 12203065.0 | |
| 5145 551.161445828019 6205283.0 | |
| 5146 564.146181690587 6031009.0 | |
| 5147 609.130287444605 3608658.0 | |
| 5148 623.183150220198 13681871.0 | |
| 5149 638.166995588673 2404616.0 | |
| 5150 |