Mercurial > repos > recetox > matchms_spectral_similarity
comparison test-data/similarity/fill2.msp @ 0:9ff95a1a2705 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
| author | recetox |
|---|---|
| date | Tue, 27 Jun 2023 14:28:07 +0000 |
| parents | |
| children |
comparison
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| -1:000000000000 | 0:9ff95a1a2705 |
|---|---|
| 1 | |
| 2 NAME: C019 | |
| 3 IONMODE: Negative | |
| 4 SPECTRUMTYPE: Centroid | |
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| 6 RETENTIONINDEX: 4135.446429 | |
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| 448 144.107604158414 87979954.0 | |
| 449 147.09517119681 9341143.0 | |
| 450 154.068219317632 44835481.0 | |
| 451 157.067782241913 61769597.0 | |
| 452 157.115438273807 22409692.0 | |
| 453 158.063016986513 148590120.0 | |
| 454 162.089012638044 38410164.0 | |
| 455 163.112375602318 67297177.0 | |
| 456 163.116061438833 29137485.0 | |
| 457 166.071517232473 2637997.0 | |
| 458 169.091734615225 7240314.0 | |
| 459 169.115450239152 13324067.0 | |
| 460 176.091971992079 11420700.0 | |
| 461 198.076865393911 11317317.0 | |
| 462 202.107669445246 99282092.0 | |
| 463 216.050840264917 25368748.0 | |
| 464 216.123457137849 89587360.0 | |
| 465 217.125002543748 19623810.0 | |
| 466 227.103101110301 34734291.0 | |
| 467 230.102912184687 1431679218.0 | |
| 468 232.099695135799 98655211.0 | |
| 469 236.131918237478 28315772.0 | |
| 470 240.087635671579 8305788.0 | |
| 471 241.154860899519 32994751.0 | |
| 472 243.134204923439 100268651.0 | |
| 473 244.118620160097 81705892.0 | |
| 474 245.126148690942 84188858.0 | |
| 475 246.118713398318 68986602.0 | |
| 476 246.13394892703 10503956854.0 | |
| 477 247.135560589937 1079597157.0 | |
| 478 248.130785854386 761465084.0 | |
| 479 249.135473253515 64125725.0 | |
| 480 258.157992411573 33386236.0 | |
| 481 259.141670012822 42922962.0 | |
| 482 260.094530835753 26697267.0 | |
| 483 273.121623153072 26043763.0 | |
| 484 274.12860026311 102801870.0 | |
| 485 275.131105637184 14079930.0 | |
| 486 330.136661226378 17935324.0 | |
| 487 332.115055198097 33155258.0 | |
| 488 348.147799838405 311563864.0 | |
| 489 349.148833391025 70017143.0 | |
| 490 349.20868703784 42455220.0 | |
| 491 350.144280194407 39912646.0 | |
| 492 350.2040314465 121155420.0 | |
| 493 363.171374525576 196318825.0 | |
| 494 363.175076842359 32440531.0 | |
| 495 364.172728479024 53615436.0 | |
| 496 365.168566275393 17869772.0 | |
| 497 | |
| 498 NAME: C011 | |
| 499 IONMODE: Negative | |
| 500 SPECTRUMTYPE: Centroid | |
| 501 RETENTIONTIME: 322.28 | |
| 502 RETENTIONINDEX: 2083.777778 | |
| 503 NUM PEAKS: 60 | |
| 504 76.283885200383 48758943.0 | |
| 505 76.5338715278987 7330057.0 | |
| 506 81.033530773467 24285748.0 | |
| 507 103.057424266746 75855115.0 | |
| 508 111.026113437095 11609338.0 | |
| 509 125.041734730414 4160199.0 | |
| 510 143.052306505082 69840390.0 | |
| 511 144.053895325187 9336526.0 | |
| 512 153.072839624251 4520937.0 | |
| 513 177.076273317809 24683428.0 | |
| 514 181.067313356117 5000321.0 | |
| 515 189.076124128862 137616624.0 | |
| 516 191.091545005862 1271941341.0 | |
| 517 192.093082227574 162051910.0 | |
| 518 193.088516871839 79021596.0 | |
| 519 203.05526208632 7596834.0 | |
| 520 203.091758399588 16094434.0 | |
| 521 204.099524919261 479242795.0 | |
| 522 205.053116336146 17657713.0 | |
| 523 205.070877855025 12997271.0 | |
| 524 205.098648436094 35529589.0 | |
| 525 206.096652118325 38137097.0 | |
| 526 207.068717751505 5872517.0 | |
| 527 215.091963730439 57346579.0 | |
| 528 217.071268460144 101151529.0 | |
| 529 217.107439740029 3008061011.0 | |
| 530 217.120599219026 18976724.0 | |
| 531 218.071421909215 7584138.0 | |
| 532 218.111157422962 135615929.0 | |
| 533 219.067855798403 8668305.0 | |
| 534 221.084188869749 459386964.0 | |
| 535 222.082806852273 62375377.0 | |
| 536 223.081082300298 43091167.0 | |
| 537 228.099433659776 13084548.0 | |
| 538 239.055166037926 12858835.0 | |
| 539 239.094698448033 55801273.0 | |
| 540 241.091558016218 4820209.0 | |
| 541 255.086475307821 14656926.0 | |
| 542 265.110639707297 430889044.0 | |
| 543 266.110398522331 62537248.0 | |
| 544 267.107664435978 35879260.0 | |
| 545 291.126272427249 232033331.0 | |
| 546 293.122582892229 21633679.0 | |
| 547 303.125958014117 19190277.0 | |
| 548 304.134521280581 20404876.0 | |
| 549 305.141591931944 3473641239.0 | |
| 550 306.142075983677 691061412.0 | |
| 551 307.137742387683 338327260.0 | |
| 552 308.140557563281 44039918.0 | |
| 553 316.133244628652 16028985.0 | |
| 554 317.142174241451 23656199.0 | |
| 555 318.149353523284 1793017305.0 | |
| 556 329.142182403421 12334206.0 | |
| 557 343.156260753335 85679829.0 | |
| 558 344.158945743286 19266508.0 | |
| 559 367.160275896842 105372219.0 | |
| 560 392.168333222764 7002831.0 | |
| 561 393.176681587806 80010031.0 | |
| 562 432.200378434683 189476983.0 | |
| 563 433.206131669451 102761038.0 | |
| 564 | |
| 565 | |
| 566 NAME: C013 | |
| 567 IONMODE: Negative | |
| 568 SPECTRUMTYPE: Centroid | |
| 569 RETENTIONTIME: 471.03 | |
| 570 RETENTIONINDEX: 3168.684211 | |
| 571 NUM PEAKS: 55 | |
| 572 78.0419730877832 2368518.0 | |
| 573 78.0464517452347 27659608.0 | |
| 574 80.0575686138474 4852405.0 | |
| 575 80.0620726266786 4335717.0 | |
| 576 82.077723849543 3241627.0 | |
| 577 84.0889032082991 2934749.0 | |
| 578 85.1012327448111 8558262.0 | |
| 579 92.0621020014837 11793478.0 | |
| 580 96.0889143149327 18526121.0 | |
| 581 98.1045714716139 4956771.0 | |
| 582 112.120196247652 2328365.0 | |
| 583 118.073209605885 6628830.0 | |
| 584 124.120146441277 10267058.0 | |
| 585 125.132492269073 14066785.0 | |
| 586 127.057380136281 12437446.0 | |
| 587 130.080821990819 8893887.0 | |
| 588 134.108970068474 12657216.0 | |
| 589 139.148071045442 3719823.0 | |
| 590 141.070083319782 9973131.0 | |
| 591 144.093492865764 5476298.0 | |
| 592 148.120067269518 10514748.0 | |
| 593 151.057275342057 8171723.0 | |
| 594 155.087332200892 36078426.0 | |
| 595 156.092934927972 5701562.0 | |
| 596 160.039216264642 6051499.0 | |
| 597 168.096079823693 12854502.0 | |
| 598 170.108456088609 2102886.0 | |
| 599 172.120083708266 5486472.0 | |
| 600 172.124571647352 4753634.0 | |
| 601 194.197954365635 1845731.0 | |
| 602 207.101729466849 212452545.0 | |
| 603 209.135564514886 2376859.0 | |
| 604 222.094125600635 10427549.0 | |
| 605 228.187305885476 10580455.0 | |
| 606 235.151268874707 6223489.0 | |
| 607 242.19810450196 1584414.0 | |
| 608 257.217653559754 1323921.0 | |
| 609 264.10498266712 7730254.0 | |
| 610 286.129147867981 12690420.0 | |
| 611 297.257846347009 7339027.0 | |
| 612 300.280767325326 2056178.0 | |
| 613 303.213698613085 7998748.0 | |
| 614 311.273627575072 8091654.0 | |
| 615 312.277993856253 1416664.0 | |
| 616 313.053036971607 25723968.0 | |
| 617 314.296557915216 11593408.0 | |
| 618 345.260912454812 10465506.0 | |
| 619 353.320009154806 61523306.0 | |
| 620 355.326724319955 3463336.0 | |
| 621 357.136488012862 9980274.0 | |
| 622 416.346688843113 1895680.0 | |
| 623 430.361629333123 1348470.0 | |
| 624 457.382680900654 882862.0 | |
| 625 624.30876303981 31553514.0 | |
| 626 626.306607666438 7713203.0 | |
| 627 | |
| 628 NAME: C041 | |
| 629 IONMODE: Negative | |
| 630 SPECTRUMTYPE: Centroid | |
| 631 RETENTIONTIME: 122.44 | |
| 632 RETENTIONINDEX: 1079.198718 | |
| 633 NUM PEAKS: 32 | |
| 634 73.0841293753643 962537.0 | |
| 635 92.9922681974622 25809589.0 | |
| 636 93.5236243719193 7832508.0 | |
| 637 93.9918503397022 4037554.0 | |
| 638 94.9892593290089 9273560.0 | |
| 639 102.528897846033 5258508.0 | |
| 640 103.032878700634 5618676.0 | |
| 641 106.048287181011 17919228.0 | |
| 642 116.082937025519 19358163.0 | |
| 643 116.088997408008 2749072817.0 | |
| 644 116.093789141941 21174548.0 | |
| 645 117.085953932526 5958559.0 | |
| 646 117.088526521735 137197201.0 | |
| 647 117.09226575013 144026411.0 | |
| 648 117.095343138483 3078493.0 | |
| 649 118.085738968471 93658275.0 | |
| 650 118.091857064635 7792967.0 | |
| 651 118.095506285782 3082221.0 | |
| 652 120.088840757968 158124.0 | |
| 653 129.052817882804 2757896.0 | |
| 654 144.047597981883 6935455.0 | |
| 655 154.03180616847 40749504.0 | |
| 656 155.035134922158 4354801.0 | |
| 657 156.011148185837 2560241.0 | |
| 658 172.042203916163 16922092.0 | |
| 659 178.047197818956 372134.0 | |
| 660 190.107642341182 143044792.0 | |
| 661 191.109992585577 20336483.0 | |
| 662 192.104283767627 9359612.0 | |
| 663 204.050979060253 4818700.0 | |
| 664 205.059630310281 24572956.0 | |
| 665 244.042971889438 1521120.0 | |
| 666 | |
| 667 NAME: C050 | |
| 668 IONMODE: Negative | |
| 669 SPECTRUMTYPE: Centroid | |
| 670 RETENTIONTIME: 128.53 | |
| 671 RETENTIONINDEX: 1117.761905 | |
| 672 NUM PEAKS: 26 | |
| 673 72.0264235348245 4721310.0 | |
| 674 75.0234110401587 7374271.0 | |
| 675 75.0288404069534 9420937.0 | |
| 676 86.9717728755449 9553539.0 | |
| 677 88.9509947069327 6380434.0 | |
| 678 97.088645546243 920854.0 | |
| 679 100.00330732202 18214503.0 | |
| 680 102.073359041231 484549126.0 | |
| 681 103.002973695426 21838182.0 | |
| 682 105.0182950443 11385761.0 | |
| 683 108.947110640446 3717342.0 | |
| 684 111.104289675305 332703.0 | |
| 685 121.013504188071 6619997.0 | |
| 686 125.115354944476 203282.0 | |
| 687 126.07873680909 3985431.0 | |
| 688 126.09126504704 166277.0 | |
| 689 135.029243788737 15067415.0 | |
| 690 136.028743365687 1890760.0 | |
| 691 138.12768595069 120407.0 | |
| 692 139.135466943364 514343.0 | |
| 693 141.114666977312 105023.0 | |
| 694 154.12267450124 570893.0 | |
| 695 155.125838888868 379417.0 | |
| 696 164.056158349268 17940696.0 | |
| 697 169.146107075272 101177.0 | |
| 698 202.089475090678 1676418.0 | |
| 699 | |
| 700 NAME: C069 | |
| 701 IONMODE: Negative | |
| 702 SPECTRUMTYPE: Centroid | |
| 703 RETENTIONTIME: 130.09 | |
| 704 RETENTIONINDEX: 1125.190476 | |
| 705 NUM PEAKS: 21 | |
| 706 86.0056992427902 2711333.0 | |
| 707 101.02092811015 3817939.0 | |
| 708 102.01824104698 2389368.0 | |
| 709 103.044500912426 2599397.0 | |
| 710 134.021244935394 7182554.0 | |
| 711 146.008780268064 1367318.0 | |
| 712 147.080421965043 14473000.0 | |
| 713 148.078270560108 1986369.0 | |
| 714 150.063347848235 15005563.0 | |
| 715 160.024341555837 18657982.0 | |
| 716 161.023889637628 2526313.0 | |
| 717 162.021068924533 1259410.0 | |
| 718 162.08910170411 10872364.0 | |
| 719 163.08856145602 1564931.0 | |
| 720 164.085896362468 2996801.0 | |
| 721 192.068147602328 1778215.0 | |
| 722 205.093030465047 15763166.0 | |
| 723 220.081704158572 39287616.0 | |
| 724 235.106747182104 27798083.0 | |
| 725 236.106761692076 1814974.0 | |
| 726 237.101952207865 2170725.0 | |
| 727 | |
| 728 NAME: C014 | |
| 729 IONMODE: Negative | |
| 730 SPECTRUMTYPE: Centroid | |
| 731 RETENTIONTIME: 149.98 | |
| 732 RETENTIONINDEX: 1221.770833 | |
| 733 NUM PEAKS: 52 | |
| 734 71.0059844923227 3825886.0 | |
| 735 71.9719666199499 2166479.0 | |
| 736 71.9900274909774 5812873.0 | |
| 737 74.0056852185202 1536988.0 | |
| 738 74.0420925124285 85880395.0 | |
| 739 79.0160789578856 8574277.0 | |
| 740 85.0216594051064 4514728.0 | |
| 741 87.031715406872 3536909.0 | |
| 742 88.0207532276727 7725109.0 | |
| 743 96.0370376132644 1390446.0 | |
| 744 97.026526300911 1733657.0 | |
| 745 99.0373282728119 46094181.0 | |
| 746 100.040639660483 1317843.0 | |
| 747 101.016609964186 4393447.0 | |
| 748 101.034181851708 2732012.0 | |
| 749 101.982609735342 9545469.0 | |
| 750 102.000154630876 3315030.0 | |
| 751 114.02337740682 1266787.0 | |
| 752 115.998233384024 4797001.0 | |
| 753 116.002585802064 3777476.0 | |
| 754 116.999837201447 3953446.0 | |
| 755 119.027195812781 3269929.0 | |
| 756 124.124646735598 2915545.0 | |
| 757 126.977832876968 2581375.0 | |
| 758 128.993436567228 1392319.0 | |
| 759 134.008812371911 2838933.0 | |
| 760 139.014200420375 5051498.0 | |
| 761 141.02968959348 1858095.0 | |
| 762 143.008967679257 1557248.0 | |
| 763 148.078032847282 11287010.0 | |
| 764 150.057633341253 2497984.0 | |
| 765 153.047823262435 6054496.0 | |
| 766 155.045390031855 1862038.0 | |
| 767 156.029483507169 6196916.0 | |
| 768 157.024814767971 15561377.0 | |
| 769 158.024371181576 2235917.0 | |
| 770 159.040363777896 6614978.0 | |
| 771 171.076628128387 174884309.0 | |
| 772 173.056092525207 246443371.0 | |
| 773 173.073320230047 11930444.0 | |
| 774 174.055469266463 32241937.0 | |
| 775 174.064431830768 4896433.0 | |
| 776 175.052942497634 10359429.0 | |
| 777 188.079602574762 3753549.0 | |
| 778 189.087411152082 1350660743.0 | |
| 779 189.102579433817 5548747.0 | |
| 780 191.066172973803 28653602.0 | |
| 781 192.066343508406 3746252.0 | |
| 782 192.085666376903 5235061.0 | |
| 783 193.062734540397 1479505.0 | |
| 784 204.110859488613 15338874.0 | |
| 785 248.077454886349 1066716.0 | |
| 786 | |
| 787 NAME: C029 | |
| 788 IONMODE: Negative | |
| 789 SPECTRUMTYPE: Centroid | |
| 790 RETENTIONTIME: 153.57 | |
| 791 RETENTIONINDEX: 1240.46875 | |
| 792 NUM PEAKS: 37 | |
| 793 70.0777148746335 4628348.0 | |
| 794 71.0311889268447 10348800.0 | |
| 795 72.0264171131849 4675511.0 | |
| 796 75.5237480195228 3311751.0 | |
| 797 80.5341111230064 1113203.0 | |
| 798 84.5289499790363 904070.0 | |
| 799 84.9978676202449 475483.0 | |
| 800 85.9877142058692 13691265.0 | |
| 801 88.0577152937335 40756276.0 | |
| 802 89.0572770956514 1887066.0 | |
| 803 89.0610580243452 1120093.0 | |
| 804 89.5393289823848 733999.0 | |
| 805 90.0369470098526 22547940.0 | |
| 806 90.0546281186615 1708505.0 | |
| 807 94.0319706510303 4266384.0 | |
| 808 96.0933494808596 4367354.0 | |
| 809 100.003329723351 12633966.0 | |
| 810 101.028937252588 1252272.0 | |
| 811 102.018321047491 1947749.0 | |
| 812 113.023726033145 15565750.0 | |
| 813 116.044729014453 1283033.0 | |
| 814 116.052564867506 568978681.0 | |
| 815 118.049483279673 21775168.0 | |
| 816 118.055881458895 2063016.0 | |
| 817 118.059401491989 277881.0 | |
| 818 120.028311671125 1667067.0 | |
| 819 132.029600927707 72202424.0 | |
| 820 132.076033673692 1072851.0 | |
| 821 132.083789233333 199563995.0 | |
| 822 133.085424266122 52777052.0 | |
| 823 134.081030944495 7990463.0 | |
| 824 143.039590667104 3994312.0 | |
| 825 159.07085776526 16908275.0 | |
| 826 160.070533147222 670731.0 | |
| 827 161.067967200907 6626488.0 | |
| 828 179.052187349018 19960617.0 | |
| 829 234.098540246274 14389094.0 | |
| 830 | |
| 831 NAME: C006 | |
| 832 IONMODE: Negative | |
| 833 SPECTRUMTYPE: Centroid | |
| 834 RETENTIONTIME: 156.39 | |
| 835 RETENTIONINDEX: 1255.15625 | |
| 836 NUM PEAKS: 128 | |
| 837 70.7588135394428 14991229.0 | |
| 838 74.7662475018644 269297750.0 | |
| 839 75.016693771762 29126586.0 | |
| 840 75.0358175233067 9683738.0 | |
| 841 75.0436628332073 197475092.0 | |
| 842 75.2660151925286 27199590.0 | |
| 843 78.5223824605991 12084905.0 | |
| 844 83.0855323069538 6916753.0 | |
| 845 88.9509687651041 12259177.0 | |
| 846 97.1012165180785 4604582.0 | |
| 847 102.073379819497 837785663.0 | |
| 848 102.966588569368 33034000.0 | |
| 849 103.076739132831 42621008.0 | |
| 850 104.982277886207 21328382.0 | |
| 851 106.961542715112 16081790.0 | |
| 852 117.018558321006 43095678.0 | |
| 853 120.977112424336 38610175.0 | |
| 854 120.986936580287 28935811.0 | |
| 855 122.966061358401 18192433.0 | |
| 856 134.016825192648 17144452.0 | |
| 857 134.992736602514 117711148.0 | |
| 858 135.992431091763 12362634.0 | |
| 859 136.97203610622 45386657.0 | |
| 860 137.008539212761 22519528.0 | |
| 861 138.98766081822 15110335.0 | |
| 862 151.033814496838 272227238.0 | |
| 863 152.023596394154 24841802.0 | |
| 864 153.003234825472 90613709.0 | |
| 865 154.002895093264 8609436.0 | |
| 866 154.982603098801 33086643.0 | |
| 867 162.969599065729 26713375.0 | |
| 868 164.949017356284 27534145.0 | |
| 869 164.958664331128 23625901.0 | |
| 870 164.985398334148 25389803.0 | |
| 871 166.937836070126 19164699.0 | |
| 872 166.974334619108 28461065.0 | |
| 873 174.112685389085 517888524.0 | |
| 874 175.11227584893 254429632.0 | |
| 875 176.109560999585 158140762.0 | |
| 876 176.985228265269 26487199.0 | |
| 877 177.021621757925 9512380.0 | |
| 878 178.964460933321 34623609.0 | |
| 879 178.974209348109 14658166.0 | |
| 880 180.943766607239 7866133.0 | |
| 881 180.953527623547 142688555.0 | |
| 882 180.980270856347 15965220.0 | |
| 883 180.990006852001 11759420.0 | |
| 884 181.952844778769 14522204.0 | |
| 885 182.96930422492 51123547.0 | |
| 886 189.02180578818 99746274.0 | |
| 887 190.021152071509 15336510.0 | |
| 888 191.000788518724 437422428.0 | |
| 889 191.018428830595 9926302.0 | |
| 890 191.037333648262 7804646.0 | |
| 891 192.000494040896 68163234.0 | |
| 892 192.006521159849 1452465.0 | |
| 893 192.980256377332 286998284.0 | |
| 894 192.989947314694 21968400.0 | |
| 895 192.997640514717 45716233.0 | |
| 896 193.016642366897 92056978.0 | |
| 897 193.979542320976 42401897.0 | |
| 898 194.016131240973 14090996.0 | |
| 899 194.969366652325 11015434.0 | |
| 900 194.977046289398 27012078.0 | |
| 901 194.995741026565 28032930.0 | |
| 902 195.005549961273 41937251.0 | |
| 903 196.975026481271 20217719.0 | |
| 904 196.984748552794 19874468.0 | |
| 905 198.96424566449 72346017.0 | |
| 906 199.963297827263 5467044.0 | |
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| 910 207.032138830925 426977902.0 | |
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| 915 210.991801987911 128071549.0 | |
| 916 211.000480092161 743842504.0 | |
| 917 211.00805688742 26890676.0 | |
| 918 211.027173442447 12370620.0 | |
| 919 211.990611024149 18083679.0 | |
| 920 211.999243763015 65527692.0 | |
| 921 212.004888193957 7737601.0 | |
| 922 212.987548322924 12961451.0 | |
| 923 212.997492056665 46711226.0 | |
| 924 213.003907930306 6906171.0 | |
| 925 225.052738922709 1011271502.0 | |
| 926 225.057028375661 91255219.0 | |
| 927 226.05171265661 114411575.0 | |
| 928 226.057514686039 8046737.0 | |
| 929 227.022393265404 18515063.0 | |
| 930 227.032031600798 154824168.0 | |
| 931 227.053121853469 84022808.0 | |
| 932 229.001419391767 27757772.0 | |
| 933 229.012369236307 28514573.0 | |
| 934 251.985356435974 8570399.0 | |
| 935 252.993951473513 57191251.0 | |
| 936 255.007906060993 55431372.0 | |
| 937 267.009873325928 175596459.0 | |
| 938 268.009674826672 25470696.0 | |
| 939 269.006733543281 13560432.0 | |
| 940 269.024042851997 91390111.0 | |
| 941 270.02371331098 13571218.0 | |
| 942 271.021086849643 9829234.0 | |
| 943 283.039247376978 1276736941.0 | |
| 944 284.039500186972 189359258.0 | |
| 945 285.036092118329 127250506.0 | |
| 946 286.036455644033 7350962.0 | |
| 947 295.607327049769 8665637.0 | |
| 948 297.796218685009 9363913.0 | |
| 949 298.06385192993 71565456.0 | |
| 950 299.039524081663 22991839.0 | |
| 951 299.071009675447 17982471221.0 | |
| 952 299.091280733541 94471375.0 | |
| 953 299.105750743283 19854776.0 | |
| 954 300.071429803414 3279781647.0 | |
| 955 300.354869573157 8525114.0 | |
| 956 301.067910960327 1817775689.0 | |
| 957 302.066664426294 211425913.0 | |
| 958 302.596538333077 8124158.0 | |
| 959 303.063261329832 58372101.0 | |
| 960 313.087644860317 20393419.0 | |
| 961 314.094743792248 1024035232.0 | |
| 962 315.094383693371 179663587.0 | |
| 963 316.09117729535 96776013.0 | |
| 964 317.091528595518 10329818.0 | |
| 965 | |
| 966 NAME: C037 | |
| 967 IONMODE: Negative | |
| 968 SPECTRUMTYPE: Centroid | |
| 969 RETENTIONTIME: 164.57 | |
| 970 RETENTIONINDEX: 1297.760417 | |
| 971 NUM PEAKS: 35 | |
| 972 88.065648072109 2909417.0 | |
| 973 100.05774324508 570828303.0 | |
| 974 104.052663354691 113057636.0 | |
| 975 115.039365172821 6912201.0 | |
| 976 132.039935340714 13068261.0 | |
| 977 150.084318938918 3273009.0 | |
| 978 151.057218718849 5621473.0 | |
| 979 174.101827649603 69576952.0 | |
| 980 174.121707683095 41793928.0 | |
| 981 174.129399107662 26043834.0 | |
| 982 175.074182132731 8755034.0 | |
| 983 176.080082088973 6953227.0 | |
| 984 176.115263922415 58860549.0 | |
| 985 177.087385610171 12117618.0 | |
| 986 177.112969447331 58005786.0 | |
| 987 178.071552708833 4329893.0 | |
| 988 184.102504790013 4927512.0 | |
| 989 188.037593629224 28574515.0 | |
| 990 188.055489248915 19926891.0 | |
| 991 190.052504774761 9071110.0 | |
| 992 240.087098126988 13755638.0 | |
| 993 246.115844704042 147165843.0 | |
| 994 247.11526397017 16371542.0 | |
| 995 248.112516183694 15630764.0 | |
| 996 248.125810692553 33707017.0 | |
| 997 248.131422378151 2161708928.0 | |
| 998 248.146915664032 18210297.0 | |
| 999 249.13338272019 294557644.0 | |
| 1000 250.129606017071 227935940.0 | |
| 1001 251.106719477652 21879037.0 | |
| 1002 251.128730170043 22443020.0 | |
| 1003 254.045550223759 639791.0 | |
| 1004 276.123899136767 500776763.0 | |
| 1005 277.126049507598 77562674.0 | |
| 1006 278.122767633947 41927737.0 | |
| 1007 | |
| 1008 NAME: C021 | |
| 1009 IONMODE: Negative | |
| 1010 SPECTRUMTYPE: Centroid | |
| 1011 RETENTIONTIME: 174.46 | |
| 1012 RETENTIONINDEX: 1347.777778 | |
| 1013 NUM PEAKS: 43 | |
| 1014 72.0264091966997 7472857.0 | |
| 1015 88.0577088714458 75511733.0 | |
| 1016 100.021291862912 145425986.0 | |
| 1017 115.074466691225 16771253.0 | |
| 1018 116.052582380058 482773646.0 | |
| 1019 117.053536429165 30325084.0 | |
| 1020 118.049377960975 14118270.0 | |
| 1021 144.047587075185 25734799.0 | |
| 1022 144.065861001757 21394752.0 | |
| 1023 152.106985820201 1914175.0 | |
| 1024 172.097257258321 132490527.0 | |
| 1025 174.039898822532 56190890.0 | |
| 1026 188.092123859557 2852792256.0 | |
| 1027 189.092734875815 363952910.0 | |
| 1028 190.095005392376 10870144.0 | |
| 1029 192.050464793393 8973928.0 | |
| 1030 204.112556460432 63942318.0 | |
| 1031 204.123376447631 12719839761.0 | |
| 1032 204.134676198312 66737867.0 | |
| 1033 204.139941497902 46318871.0 | |
| 1034 205.122632691615 1150416823.0 | |
| 1035 205.126662299229 458925490.0 | |
| 1036 206.120266399826 887840102.0 | |
| 1037 206.126113762009 75294274.0 | |
| 1038 207.124053272438 77824785.0 | |
| 1039 208.117049207678 12307457.0 | |
| 1040 215.145969010933 4760385.0 | |
| 1041 216.088392455766 405059144.0 | |
| 1042 217.086705454619 37923505.0 | |
| 1043 218.06595654972 27566454.0 | |
| 1044 218.090280660191 42294660.0 | |
| 1045 218.102483700947 814574173.0 | |
| 1046 219.101982405783 183247942.0 | |
| 1047 228.110874054133 11293007.0 | |
| 1048 260.131785679153 11160513.0 | |
| 1049 262.110673670276 31458181.0 | |
| 1050 278.141910039176 689863784.0 | |
| 1051 279.14171697765 106291754.0 | |
| 1052 280.138379911323 68542502.0 | |
| 1053 290.105762618935 8621932.0 | |
| 1054 306.136776606337 161984129.0 | |
| 1055 307.137483661718 26795541.0 | |
| 1056 308.134616672218 10569487.0 | |
| 1057 | |
| 1058 NAME: C016 | |
| 1059 IONMODE: Negative | |
| 1060 SPECTRUMTYPE: Centroid | |
| 1061 RETENTIONTIME: 179.44 | |
| 1062 RETENTIONINDEX: 1372.929293 | |
| 1063 NUM PEAKS: 52 | |
| 1064 72.7865413795848 11053016.0 | |
| 1065 76.0213646333752 59206242.0 | |
| 1066 86.0420870540736 225533571.0 | |
| 1067 87.0624776950782 21372082.0 | |
| 1068 94.031968242506 5379284.0 | |
| 1069 99.0624848569809 8373743.0 | |
| 1070 101.065578958178 580382063.0 | |
| 1071 102.065087486925 29099700.0 | |
| 1072 102.068929955634 24457328.0 | |
| 1073 103.062411030714 19116993.0 | |
| 1074 117.07243604453 328676795.0 | |
| 1075 118.072671501619 17259686.0 | |
| 1076 118.076366276482 22067336.0 | |
| 1077 119.070202511149 13483430.0 | |
| 1078 129.08861813606 20358954.0 | |
| 1079 129.092276040002 25640101.0 | |
| 1080 130.06011952178 9655585.0 | |
| 1081 130.067560646277 74460539.0 | |
| 1082 130.085939269477 14047444.0 | |
| 1083 131.051786739069 77155784.0 | |
| 1084 131.057228836848 5892782.0 | |
| 1085 132.053815168466 9945148.0 | |
| 1086 162.07652189767 28278876.0 | |
| 1087 166.071447902565 2131407.0 | |
| 1088 176.091961706958 20359637.0 | |
| 1089 177.039595821552 14107543.0 | |
| 1090 186.112644914298 35742801.0 | |
| 1091 187.083534505033 2872457.0 | |
| 1092 202.107788980815 334102807.0 | |
| 1093 203.091631632482 47452203.0 | |
| 1094 203.107437976876 31819921.0 | |
| 1095 204.078652652347 15905573.0 | |
| 1096 205.075050681063 12835558.0 | |
| 1097 209.110379746737 8896653.0 | |
| 1098 218.138865175698 1509022704.0 | |
| 1099 218.151727223505 14813284.0 | |
| 1100 219.139434277936 162304737.0 | |
| 1101 220.135999858668 122208241.0 | |
| 1102 221.140005152944 9266678.0 | |
| 1103 222.11182652092 5070439.0 | |
| 1104 224.133938402791 5579137.0 | |
| 1105 231.086793174909 17467855.0 | |
| 1106 232.082126936244 4650017.0 | |
| 1107 232.099725623874 5669989.0 | |
| 1108 291.150168877686 853154478.0 | |
| 1109 292.157980784891 403452660.0 | |
| 1110 294.155602988375 31675973.0 | |
| 1111 295.156542751759 3658441.0 | |
| 1112 322.14914268189 3261459.0 | |
| 1113 323.007108119393 35075548.0 | |
| 1114 401.984380095051 5308469.0 | |
| 1115 443.139940152175 432200.0 | |
| 1116 | |
| 1117 NAME: C025 | |
| 1118 IONMODE: Negative | |
| 1119 SPECTRUMTYPE: Centroid | |
| 1120 RETENTIONTIME: 220.4 | |
| 1121 RETENTIONINDEX: 1588.172043 | |
| 1122 NUM PEAKS: 39 | |
| 1123 86.0546034160969 4233859.0 | |
| 1124 98.0546561234615 5879036.0 | |
| 1125 98.0600901779517 9026381.0 | |
| 1126 99.0678953395317 3983913.0 | |
| 1127 101.029104891615 990685.0 | |
| 1128 101.995140172271 1181568.0 | |
| 1129 114.073423022262 62662130.0 | |
| 1130 127.03222555692 4696514.0 | |
| 1131 127.081178438345 10999132.0 | |
| 1132 128.040085859381 724327.0 | |
| 1133 130.060045045821 3511701.0 | |
| 1134 143.06934696188 19506953.0 | |
| 1135 153.060394297876 3832725.0 | |
| 1136 154.992258346541 18574763.0 | |
| 1137 156.034779027088 4913091.0 | |
| 1138 157.089745216771 178506862.0 | |
| 1139 158.089661285724 20609457.0 | |
| 1140 181.079057613068 5811601.0 | |
| 1141 182.969290052984 13920969.0 | |
| 1142 209.098070023574 2202098.0 | |
| 1143 211.000467232136 118673095.0 | |
| 1144 211.107760650974 15493946.0 | |
| 1145 211.99957568137 9779204.0 | |
| 1146 212.117038306675 3905392.0 | |
| 1147 212.997496375256 7444415.0 | |
| 1148 227.03220797037 13974530.0 | |
| 1149 229.011784503816 11805841.0 | |
| 1150 237.016166597947 11812605.0 | |
| 1151 239.055356959183 6727059.0 | |
| 1152 240.050700289777 3245809.0 | |
| 1153 240.058987122192 2666957.0 | |
| 1154 253.047743932437 8591863.0 | |
| 1155 257.113532295932 37477567.0 | |
| 1156 258.097829676371 104316303.0 | |
| 1157 283.061035728532 1483604.0 | |
| 1158 329.15312761282 16717103.0 | |
| 1159 341.207275674194 849848.0 | |
| 1160 342.149108121168 8368804.0 | |
| 1161 343.149777233033 14251513.0 | |
| 1162 | |
| 1163 NAME: C015 | |
| 1164 IONMODE: Negative | |
| 1165 SPECTRUMTYPE: Centroid | |
| 1166 RETENTIONTIME: 235.46 | |
| 1167 RETENTIONINDEX: 1656.403509 | |
| 1168 NUM PEAKS: 52 | |
| 1169 81.5257171655814 2342972.0 | |
| 1170 116.088989702621 366927024.0 | |
| 1171 117.088566719023 18779495.0 | |
| 1172 117.092247982898 18608741.0 | |
| 1173 118.085751190676 23496966.0 | |
| 1174 125.053035248521 14136115.0 | |
| 1175 132.075896410065 24306761.0 | |
| 1176 132.083778515899 333711935.0 | |
| 1177 132.089601787336 6373323.0 | |
| 1178 133.0728587722 4553810.0 | |
| 1179 133.087207459741 24346673.0 | |
| 1180 134.081033973201 12128052.0 | |
| 1181 140.076335084148 17890106.0 | |
| 1182 142.085157136161 42269261.0 | |
| 1183 143.081040162173 15954185.0 | |
| 1184 144.047595179679 28255023.0 | |
| 1185 159.070534507671 80444141.0 | |
| 1186 160.070519411508 3549888.0 | |
| 1187 161.067881506645 3548441.0 | |
| 1188 162.05799001229 1293169.0 | |
| 1189 169.078970408662 17221701.0 | |
| 1190 174.076337630878 18631839.0 | |
| 1191 190.088324913941 66324581.0 | |
| 1192 190.125274394584 33897102.0 | |
| 1193 199.072442726318 13117215.0 | |
| 1194 202.073511069937 96350788.0 | |
| 1195 204.051039571696 31718126.0 | |
| 1196 211.027422474273 15347040.0 | |
| 1197 227.066888327164 10205330.0 | |
| 1198 228.050593694055 6971599.0 | |
| 1199 230.129433815993 22675313.0 | |
| 1200 231.133869389741 403614327.0 | |
| 1201 233.13059513764 91994730.0 | |
| 1202 234.13482856447 3513995.0 | |
| 1203 238.038440194626 10702414.0 | |
| 1204 239.037391060781 1905808.0 | |
| 1205 240.034854912293 7657400.0 | |
| 1206 242.102443600672 14934741.0 | |
| 1207 244.081901779873 12468537.0 | |
| 1208 245.089202126751 44768875.0 | |
| 1209 252.053950481703 757229.0 | |
| 1210 258.120872110843 149452229.0 | |
| 1211 316.121419149075 38568672.0 | |
| 1212 317.12223565963 7838937.0 | |
| 1213 318.119318279455 4981470.0 | |
| 1214 326.086565186981 916483.0 | |
| 1215 326.108780005433 171435050.0 | |
| 1216 326.117824946546 2488856.0 | |
| 1217 327.10935199278 40422930.0 | |
| 1218 333.147777169734 16086741.0 | |
| 1219 422.166173727523 2682476.0 | |
| 1220 423.167519530481 10948363.0 | |
| 1221 | |
| 1222 NAME: C007 | |
| 1223 IONMODE: Negative | |
| 1224 SPECTRUMTYPE: Centroid | |
| 1225 RETENTIONTIME: 255.61 | |
| 1226 RETENTIONINDEX: 1743.632479 | |
| 1227 NUM PEAKS: 119 | |
| 1228 74.7662269069405 28659501.0 | |
| 1229 75.0165394537007 5408289.0 | |
| 1230 75.2655505326648 4908677.0 | |
| 1231 78.7739813661436 5229360.0 | |
| 1232 85.0760482452284 4319555.0 | |
| 1233 85.2687580277009 4315013.0 | |
| 1234 89.2764898057007 16566122.0 | |
| 1235 89.2782060538666 3983713.0 | |
| 1236 89.5264619681224 2672321.0 | |
| 1237 96.783784673388 8099779.0 | |
| 1238 101.041713200275 48886049.0 | |
| 1239 102.041281120941 2174203.0 | |
| 1240 115.020972177741 7215871.0 | |
| 1241 119.052038377979 7917522.0 | |
| 1242 136.972071099239 17080140.0 | |
| 1243 151.033807130423 14926420.0 | |
| 1244 154.982575945852 9596911.0 | |
| 1245 164.958667018442 13730826.0 | |
| 1246 166.055671420874 4951709.0 | |
| 1247 178.974200966683 10155080.0 | |
| 1248 180.953525448273 27142382.0 | |
| 1249 180.990025741337 6341291.0 | |
| 1250 181.952867865781 7869793.0 | |
| 1251 182.969329530525 23307021.0 | |
| 1252 192.000421566834 9112943.0 | |
| 1253 192.989918180386 21827190.0 | |
| 1254 192.99778111437 20801165.0 | |
| 1255 193.016544790042 12470944.0 | |
| 1256 193.979653193508 6913030.0 | |
| 1257 195.005686443198 35570417.0 | |
| 1258 196.00493437914 5265356.0 | |
| 1259 196.984750877344 24453721.0 | |
| 1260 197.002488746995 3118590.0 | |
| 1261 198.964265232886 21423295.0 | |
| 1262 210.028921411283 5615519.0 | |
| 1263 210.991145612806 26675189.0 | |
| 1264 211.000507408305 293063162.0 | |
| 1265 211.00515948695 12209486.0 | |
| 1266 211.999398375777 34586347.0 | |
| 1267 212.004861571041 12406371.0 | |
| 1268 212.979805239834 5609871.0 | |
| 1269 212.9975042017 26197580.0 | |
| 1270 213.003978112468 10831067.0 | |
| 1271 225.01612303133 22333511.0 | |
| 1272 225.052797955866 206057626.0 | |
| 1273 226.060565492441 3389954.0 | |
| 1274 227.032302406818 46629127.0 | |
| 1275 227.052799888971 12772356.0 | |
| 1276 228.031372303201 28605623.0 | |
| 1277 229.012120567941 23810729.0 | |
| 1278 229.028836269725 18833607.0 | |
| 1279 241.047341352483 207906852.0 | |
| 1280 242.046565131286 15825096.0 | |
| 1281 254.972846682584 13531396.0 | |
| 1282 255.008483887711 15342672.0 | |
| 1283 256.071141377417 81909414.0 | |
| 1284 268.987902111948 14254738.0 | |
| 1285 269.023065645751 20126306.0 | |
| 1286 283.038975322888 87835245.0 | |
| 1287 283.077223603392 4240542.0 | |
| 1288 284.038765682836 36332439.0 | |
| 1289 284.047847560166 16876475.0 | |
| 1290 285.020856469373 71628001.0 | |
| 1291 285.037117625006 14819510.0 | |
| 1292 286.018722030541 14289135.0 | |
| 1293 287.015806645616 11277972.0 | |
| 1294 298.063602401123 17817095.0 | |
| 1295 298.100712112463 63986131.0 | |
| 1296 299.071055799686 2128008628.0 | |
| 1297 299.103103081617 14588373.0 | |
| 1298 300.071132690599 357671126.0 | |
| 1299 300.095600251131 11128855.0 | |
| 1300 301.067944921725 214638799.0 | |
| 1301 302.066308739279 27960543.0 | |
| 1302 303.063902404178 11641821.0 | |
| 1303 313.08710828569 37410519.0 | |
| 1304 314.094913595715 111538353.0 | |
| 1305 315.102720545797 468877656.0 | |
| 1306 316.102908849083 85560040.0 | |
| 1307 317.098942117172 45726750.0 | |
| 1308 318.100567641456 7513554.0 | |
| 1309 327.066907433148 12653985.0 | |
| 1310 328.110559855461 95255437.0 | |
| 1311 329.108582685471 12644630.0 | |
| 1312 330.106930570537 10213951.0 | |
| 1313 341.081343197731 276960092.0 | |
| 1314 341.11888367427 11101014.0 | |
| 1315 342.082160954159 54098458.0 | |
| 1316 342.127028260288 21039635.0 | |
| 1317 343.076683676259 26248533.0 | |
| 1318 343.125939758345 5494072.0 | |
| 1319 344.079681545077 3228995.0 | |
| 1320 355.096548498127 5639384.0 | |
| 1321 357.053452616687 770518.0 | |
| 1322 357.112852227816 1419826813.0 | |
| 1323 358.114507264212 308133709.0 | |
| 1324 359.109392208617 135315300.0 | |
| 1325 360.10918270164 21795318.0 | |
| 1326 361.106769057519 2647198.0 | |
| 1327 370.121305630407 77253072.0 | |
| 1328 372.117239703046 7842658.0 | |
| 1329 373.090157801307 154307401.0 | |
| 1330 374.090145897151 40529125.0 | |
| 1331 375.086930821141 14879746.0 | |
| 1332 376.088465780235 3201446.0 | |
| 1333 387.141801800076 194716594.0 | |
| 1334 388.14272049295 54288141.0 | |
| 1335 389.121794330345 51552580.0 | |
| 1336 389.139716910748 26455325.0 | |
| 1337 390.122870081354 15811973.0 | |
| 1338 390.14085468152 4743299.0 | |
| 1339 391.117665384179 7388552.0 | |
| 1340 415.13661717973 18122344.0 | |
| 1341 416.13820741755 5229472.0 | |
| 1342 417.134378998117 2097641.0 | |
| 1343 445.147054985178 149695331.0 | |
| 1344 446.149250684875 44505012.0 | |
| 1345 447.142729535056 21358582.0 | |
| 1346 448.145457454299 5816090.0 | |
| 1347 | |
| 1348 NAME: C042 | |
| 1349 IONMODE: Negative | |
| 1350 SPECTRUMTYPE: Centroid | |
| 1351 RETENTIONTIME: 271.39 | |
| 1352 RETENTIONINDEX: 1813.489583 | |
| 1353 NUM PEAKS: 31 | |
| 1354 73.0496913278189 28814308.0 | |
| 1355 77.1200656369992 2610968.0 | |
| 1356 78.0116637721411 1903654.0 | |
| 1357 82.5993944596822 2937109.0 | |
| 1358 105.14829183878 6300835.0 | |
| 1359 120.052745765447 1591256.0 | |
| 1360 121.04598949235 6258690.0 | |
| 1361 124.163519100232 5753581.0 | |
| 1362 127.06855868316 6761920.0 | |
| 1363 135.077108142192 4645122.0 | |
| 1364 137.941234310306 5497287.0 | |
| 1365 142.085584756459 19497605.0 | |
| 1366 157.11542090916 241699352.0 | |
| 1367 170.234042335997 4071716.0 | |
| 1368 181.149572704242 5692404.0 | |
| 1369 182.074490789042 9160864.0 | |
| 1370 187.102405332504 3278126.0 | |
| 1371 187.108071237175 8927372.0 | |
| 1372 196.08992454356 4156821.0 | |
| 1373 197.0977124259 4237990.0 | |
| 1374 197.177720887346 10094494.0 | |
| 1375 210.069579445585 4771734.0 | |
| 1376 225.092168639625 12436256.0 | |
| 1377 240.135122398135 10899504.0 | |
| 1378 256.1657476594 171285128.0 | |
| 1379 257.168967084637 18606029.0 | |
| 1380 258.162446023868 14108970.0 | |
| 1381 278.291413696853 3978698.0 | |
| 1382 286.414411533465 4701336.0 | |
| 1383 287.113120857513 14834782.0 | |
| 1384 373.20242050704 7382425.0 | |
| 1385 | |
| 1386 NAME: C004 | |
| 1387 IONMODE: Negative | |
| 1388 SPECTRUMTYPE: Centroid | |
| 1389 RETENTIONTIME: 281.14 | |
| 1390 RETENTIONINDEX: 1864.270833 | |
| 1391 NUM PEAKS: 133 | |
| 1392 73.0442774196692 43427043.0 | |
| 1393 76.7877765636581 36867611.0 | |
| 1394 82.0287764397131 14403247.0 | |
| 1395 84.0264189057457 44227273.0 | |
| 1396 87.0261244420359 8119251.0 | |
| 1397 89.0417212260272 300309561.0 | |
| 1398 90.0413382064351 20241402.0 | |
| 1399 90.0453293598109 10529116.0 | |
| 1400 91.0210449471361 6002447.0 | |
| 1401 91.0574195592591 77536294.0 | |
| 1402 92.0570057716064 6831570.0 | |
| 1403 100.021290957126 40776047.0 | |
| 1404 101.041722098231 38070287.0 | |
| 1405 102.037003084157 14788815.0 | |
| 1406 103.057402645866 742366453.0 | |
| 1407 104.056941844155 50265736.0 | |
| 1408 104.060640427731 32476058.0 | |
| 1409 105.036669173611 4356477.0 | |
| 1410 105.054350992755 36464664.0 | |
| 1411 105.072814053772 42586321.0 | |
| 1412 107.052274593264 21289591.0 | |
| 1413 111.02610348604 12029133.0 | |
| 1414 114.036949079325 17218401.0 | |
| 1415 115.044830373125 17317329.0 | |
| 1416 115.057399403328 16868654.0 | |
| 1417 117.036565950721 250369120.0 | |
| 1418 118.036189570718 18095275.0 | |
| 1419 118.040028705771 25210706.0 | |
| 1420 119.015816266648 5679009.0 | |
| 1421 126.036946884123 11074836.0 | |
| 1422 127.057374364192 14534823.0 | |
| 1423 130.036220392438 62692526.0 | |
| 1424 130.039995757391 64758855.0 | |
| 1425 133.067622940029 155881977.0 | |
| 1426 142.068329871816 165445429.0 | |
| 1427 143.070182252456 18651954.0 | |
| 1428 144.083841374779 11601770.0 | |
| 1429 145.06788275214 20209322.0 | |
| 1430 152.05263386683 20108742.0 | |
| 1431 156.047360880423 9705058.0 | |
| 1432 163.060372867003 65510626.0 | |
| 1433 165.057216241631 11870122.0 | |
| 1434 170.063258457184 16748280.0 | |
| 1435 173.068039789864 43110036.0 | |
| 1436 173.086694269178 201267523.0 | |
| 1437 175.060488740021 36958850.0 | |
| 1438 175.083532346585 41712896.0 | |
| 1439 176.061460287086 15926551.0 | |
| 1440 182.063212995492 28363578.0 | |
| 1441 186.09429568096 23735661.0 | |
| 1442 189.076169715928 825029623.0 | |
| 1443 191.072951063098 51478583.0 | |
| 1444 196.078730622868 11852501.0 | |
| 1445 198.094356625603 30089811.0 | |
| 1446 200.055578733836 21240668.0 | |
| 1447 200.110164270208 18637146.0 | |
| 1448 201.099984383691 170434790.0 | |
| 1449 203.055325630312 10558307.0 | |
| 1450 203.091763731358 33930527.0 | |
| 1451 205.053200643873 18438847.0 | |
| 1452 207.086610369153 29693365.0 | |
| 1453 214.962016695882 11203354.0 | |
| 1454 216.317732137529 7826622.0 | |
| 1455 217.071023488157 72705727.0 | |
| 1456 217.095083420724 54995937.0 | |
| 1457 217.121796787879 50243146.0 | |
| 1458 217.166426338473 9239645.0 | |
| 1459 217.900749229103 7653546.0 | |
| 1460 218.106794379465 334685948.0 | |
| 1461 218.111164744607 345419754.0 | |
| 1462 219.10442246025 200256816.0 | |
| 1463 221.084059323829 134852300.0 | |
| 1464 226.113084127754 47047242.0 | |
| 1465 227.116801955308 8932805.0 | |
| 1466 228.086848745893 11783707.0 | |
| 1467 230.066158666165 13496526.0 | |
| 1468 231.086947416196 49649794.0 | |
| 1469 235.119062770912 13586188.0 | |
| 1470 240.08721243609 29102373.0 | |
| 1471 242.102369579214 23904129.0 | |
| 1472 244.118344303396 97250619.0 | |
| 1473 254.102694408539 15597106.0 | |
| 1474 256.118437672343 78739849.0 | |
| 1475 260.113103825249 47767703.0 | |
| 1476 262.130014540454 200988583.0 | |
| 1477 263.138573404215 53408535.0 | |
| 1478 268.118306919701 28596285.0 | |
| 1479 270.097678093505 12115606.0 | |
| 1480 270.134141208722 19974347.0 | |
| 1481 272.113437044862 28234289.0 | |
| 1482 276.144462665628 27720147.0 | |
| 1483 277.147232129808 769954256.0 | |
| 1484 278.146892922202 115217293.0 | |
| 1485 279.143784551238 56035231.0 | |
| 1486 288.126437112534 54520275.0 | |
| 1487 289.128218919886 16764007.0 | |
| 1488 293.122628474483 14301867.0 | |
| 1489 300.144341828753 33176785.0 | |
| 1490 302.123699256429 10229334.0 | |
| 1491 302.142369213994 57143899.0 | |
| 1492 307.157207611693 1278188117.0 | |
| 1493 308.157842265781 259423411.0 | |
| 1494 309.153358236607 124942652.0 | |
| 1495 310.155034853292 35092151.0 | |
| 1496 313.13794281126 9929507.0 | |
| 1497 319.13837209334 35159018.0 | |
| 1498 328.158116067274 14357421.0 | |
| 1499 330.136513260744 49905906.0 | |
| 1500 331.137963917645 11826973.0 | |
| 1501 332.154553184823 25824792.0 | |
| 1502 333.160508063619 64490793.0 | |
| 1503 334.16898677718 107798098.0 | |
| 1504 335.156265735477 16470528.0 | |
| 1505 335.168937214244 30819530.0 | |
| 1506 342.136313045773 10306765.0 | |
| 1507 344.152591810826 21798292.0 | |
| 1508 350.162009338002 27136149.0 | |
| 1509 351.164342942217 13379794.0 | |
| 1510 358.167933699256 29617511.0 | |
| 1511 364.17811863351 334806610.0 | |
| 1512 365.179941921808 79125623.0 | |
| 1513 366.175689249457 29985899.0 | |
| 1514 376.178658020756 27285941.0 | |
| 1515 377.18063775328 13348755.0 | |
| 1516 390.195061114161 13993459.0 | |
| 1517 432.186649360652 22112168.0 | |
| 1518 433.192400997591 14756847.0 | |
| 1519 464.212596374886 14461181.0 | |
| 1520 465.21501265446 8807847.0 | |
| 1521 466.229037894481 11598169.0 | |
| 1522 522.237414197299 6572270.0 | |
| 1523 554.264791787775 8367305.0 | |
| 1524 555.265568698089 6612134.0 | |
| 1525 | |
| 1526 NAME: C002 | |
| 1527 IONMODE: Negative | |
| 1528 SPECTRUMTYPE: Centroid | |
| 1529 RETENTIONTIME: 290.89 | |
| 1530 RETENTIONINDEX: 1915.052083 | |
| 1531 NUM PEAKS: 154 | |
| 1532 74.0420834639321 120682786.0 | |
| 1533 80.0494750602472 12339346.0 | |
| 1534 82.0107698705264 8113847.0 | |
| 1535 82.0525502295731 60894902.0 | |
| 1536 82.0651194565621 69447188.0 | |
| 1537 83.0311632951016 17182147.0 | |
| 1538 83.0603552165549 26106020.0 | |
| 1539 85.046840423611 36500190.0 | |
| 1540 86.0420827109742 437807591.0 | |
| 1541 87.0453942386005 61802493.0 | |
| 1542 88.0577103462022 126672522.0 | |
| 1543 92.0526600111699 12421233.0 | |
| 1544 94.0651670460976 18848709.0 | |
| 1545 96.0263813762539 14381972.0 | |
| 1546 97.0468986440212 15794212.0 | |
| 1547 98.0421044995257 61798780.0 | |
| 1548 99.06249129056 8628267.0 | |
| 1549 100.003287517863 26090881.0 | |
| 1550 104.052665196453 62263260.0 | |
| 1551 106.068269556965 10590759.0 | |
| 1552 106.894750634963 10256492.0 | |
| 1553 108.892711554142 11334123.0 | |
| 1554 108.910444165148 11643908.0 | |
| 1555 110.042107118335 36696327.0 | |
| 1556 110.908343397409 13030309.0 | |
| 1557 112.057747931751 202767274.0 | |
| 1558 113.023768186909 24015489.0 | |
| 1559 113.060990726567 11748906.0 | |
| 1560 114.073420371446 118499512.0 | |
| 1561 116.034576517123 25573830.0 | |
| 1562 118.013833408793 16053275.0 | |
| 1563 124.057702695463 27174358.0 | |
| 1564 125.053020535183 10497273.0 | |
| 1565 126.073371777015 116026001.0 | |
| 1566 128.089034552709 1076874098.0 | |
| 1567 129.088615400632 49671667.0 | |
| 1568 129.092275725785 64644162.0 | |
| 1569 130.050240665132 211482345.0 | |
| 1570 130.085929598478 31261544.0 | |
| 1571 131.050293706342 20915133.0 | |
| 1572 132.02961924114 104192915.0 | |
| 1573 132.047128086909 12094980.0 | |
| 1574 132.066113699847 16131826.0 | |
| 1575 136.941688061638 81146638.0 | |
| 1576 138.073445775264 23634965.0 | |
| 1577 138.939710087807 74853849.0 | |
| 1578 139.0686036981 52754759.0 | |
| 1579 139.081144509926 34483099.0 | |
| 1580 140.08899268638 293228811.0 | |
| 1581 141.092347928277 65071812.0 | |
| 1582 146.081595655039 145607206.0 | |
| 1583 147.080815648938 17595931.0 | |
| 1584 151.068736822218 10434254.0 | |
| 1585 153.084293111734 142395683.0 | |
| 1586 154.067420851191 38774968.0 | |
| 1587 154.084420613659 52714657.0 | |
| 1588 154.091894366848 8040303517.0 | |
| 1589 154.099503530777 38324808.0 | |
| 1590 154.104655547101 443159050.0 | |
| 1591 155.091615331178 372481990.0 | |
| 1592 155.099727288506 1310679140.0 | |
| 1593 155.10781250826 49431503.0 | |
| 1594 155.112254523726 44722686.0 | |
| 1595 156.105471106688 166859587.0 | |
| 1596 156.120166450827 7207510907.0 | |
| 1597 156.127862778166 41072907.0 | |
| 1598 157.097093417462 32026839.0 | |
| 1599 157.121496619714 926586633.0 | |
| 1600 158.099385920317 12616679.0 | |
| 1601 158.124946605491 234352340.0 | |
| 1602 160.097096389934 45502811.0 | |
| 1603 164.094075508998 34423231.0 | |
| 1604 165.084107046349 8145865.0 | |
| 1605 166.079422233971 178017216.0 | |
| 1606 166.104685302363 80292109.0 | |
| 1607 167.07871269313 4507534.0 | |
| 1608 167.082828184413 13060281.0 | |
| 1609 167.099713290459 33540976.0 | |
| 1610 168.058648244495 5700201.0 | |
| 1611 168.083785856497 48614668.0 | |
| 1612 170.082445253861 28135897.0 | |
| 1613 170.099553031307 28093003.0 | |
| 1614 174.076517369154 49839977.0 | |
| 1615 174.103640753562 66052643.0 | |
| 1616 174.112663155196 5611399476.0 | |
| 1617 175.112170691358 833424254.0 | |
| 1618 176.109466908977 366520262.0 | |
| 1619 176.115493491049 47516513.0 | |
| 1620 184.09719460417 42599922.0 | |
| 1621 186.112626331526 117291912.0 | |
| 1622 187.108107044473 22347464.0 | |
| 1623 194.0743897508 8637337.0 | |
| 1624 198.113011436307 16774760.0 | |
| 1625 200.128530660802 474547422.0 | |
| 1626 201.076108377723 46006626.0 | |
| 1627 201.127096169995 52130161.0 | |
| 1628 202.071563374098 11705583.0 | |
| 1629 202.125165445139 33637559.0 | |
| 1630 208.08987892552 12797967.0 | |
| 1631 211.10767888855 43890336.0 | |
| 1632 212.12878309912 45875600.0 | |
| 1633 213.13636807691 35030810.0 | |
| 1634 214.107807984073 285748748.0 | |
| 1635 215.091931295473 234180262.0 | |
| 1636 215.110674585538 36705109.0 | |
| 1637 216.104580934199 20836364.0 | |
| 1638 223.108076558568 11023160.0 | |
| 1639 225.123655999268 36876138.0 | |
| 1640 226.13153622958 230503051.0 | |
| 1641 227.13043943876 10085174.0 | |
| 1642 228.123249098843 71535895.0 | |
| 1643 228.159905893646 362434420.0 | |
| 1644 229.161937176139 38367663.0 | |
| 1645 230.11510202532 1523196176.0 | |
| 1646 230.139090546109 293710971.0 | |
| 1647 230.156245628046 45899538.0 | |
| 1648 231.116370377997 120829979.0 | |
| 1649 238.119217265137 947506152.0 | |
| 1650 239.121427840401 63610601.0 | |
| 1651 239.139249070531 39299143.0 | |
| 1652 240.099210617648 7249600.0 | |
| 1653 240.115927718166 52952233.0 | |
| 1654 240.123288794265 76462964.0 | |
| 1655 241.118888018358 41168985.0 | |
| 1656 243.170568177597 125330108.0 | |
| 1657 244.154610797799 67993804.0 | |
| 1658 254.129501750287 22468081.0 | |
| 1659 254.15027250779 3541758949.0 | |
| 1660 254.166344878179 23375802.0 | |
| 1661 255.134464422483 9943127.0 | |
| 1662 255.153455142685 389823786.0 | |
| 1663 255.17059633608 62094050.0 | |
| 1664 256.146875761737 243800132.0 | |
| 1665 257.113547269649 157019561.0 | |
| 1666 257.15089582724 26466261.0 | |
| 1667 267.116330800132 19910509.0 | |
| 1668 272.149988875225 105632286.0 | |
| 1669 273.158421055509 86183840.0 | |
| 1670 274.146840544661 38353426.0 | |
| 1671 302.178660705055 15925694.0 | |
| 1672 304.15803854925 24147305.0 | |
| 1673 313.158276970897 15473630.0 | |
| 1674 317.225363435622 262506151.0 | |
| 1675 318.226361789138 56804918.0 | |
| 1676 319.222337550035 23286345.0 | |
| 1677 328.168552290245 125300682.0 | |
| 1678 329.189024733197 158066255.0 | |
| 1679 338.153719073072 54058937.0 | |
| 1680 339.154593618751 14921199.0 | |
| 1681 356.163893265203 202635184.0 | |
| 1682 357.165536021859 53046367.0 | |
| 1683 358.15756032522 10878972.0 | |
| 1684 371.186890075188 108573235.0 | |
| 1685 372.188435718142 25975848.0 | |
| 1686 | |
| 1687 NAME: C032 | |
| 1688 IONMODE: Negative | |
| 1689 SPECTRUMTYPE: Centroid | |
| 1690 RETENTIONTIME: 293.8 | |
| 1691 RETENTIONINDEX: 1930.208333 | |
| 1692 NUM PEAKS: 37 | |
| 1693 77.0385700377892 5323543.0 | |
| 1694 97.0284464523265 17181168.0 | |
| 1695 101.057276691524 24373530.0 | |
| 1696 101.061050318588 23362152.0 | |
| 1697 102.0545547641 18000207.0 | |
| 1698 107.049178092153 5259667.0 | |
| 1699 117.056256394175 19331208.0 | |
| 1700 119.049208444226 6556810.0 | |
| 1701 135.062499714989 46031035.0 | |
| 1702 144.053477738533 13635725.0 | |
| 1703 161.041476402708 11508318.0 | |
| 1704 169.079018375922 18215238.0 | |
| 1705 175.055505897625 9113762.0 | |
| 1706 176.052466278487 24452258.0 | |
| 1707 179.052334497828 3213462.0 | |
| 1708 180.090606856118 23492333.0 | |
| 1709 184.087743496986 9633402.0 | |
| 1710 193.067673166181 17520968.0 | |
| 1711 218.07617589558 9295248.0 | |
| 1712 218.090165214098 45345145.0 | |
| 1713 221.102841025724 24047780.0 | |
| 1714 248.091817520042 9584686.0 | |
| 1715 250.071128737698 39717545.0 | |
| 1716 264.123968255395 30111084.0 | |
| 1717 265.103712182846 7436142.0 | |
| 1718 265.107288629308 75402743.0 | |
| 1719 266.111080001919 24900167.0 | |
| 1720 267.086687778924 32556612.0 | |
| 1721 268.129715772248 30785623.0 | |
| 1722 282.159255908762 17786888.0 | |
| 1723 283.154778825553 21397685.0 | |
| 1724 296.160515979017 12792658.0 | |
| 1725 305.105780505281 19382666.0 | |
| 1726 321.153363611387 47305902.0 | |
| 1727 329.141929921441 15317245.0 | |
| 1728 332.158873244121 13684549.0 | |
| 1729 421.207975743072 24226802.0 | |
| 1730 | |
| 1731 NAME: C039 | |
| 1732 IONMODE: Negative | |
| 1733 SPECTRUMTYPE: Centroid | |
| 1734 RETENTIONTIME: 294.04 | |
| 1735 RETENTIONINDEX: 1931.458333 | |
| 1736 NUM PEAKS: 33 | |
| 1737 70.0371775180723 9802034.0 | |
| 1738 79.0542666937278 8688980.0 | |
| 1739 89.0386794726954 11620255.0 | |
| 1740 91.0542504618771 30947093.0 | |
| 1741 100.057744254947 496769873.0 | |
| 1742 115.054168772455 6832970.0 | |
| 1743 118.065786334856 15147158.0 | |
| 1744 130.031878160532 72453339.0 | |
| 1745 147.02636157237 5271163.0 | |
| 1746 151.05716747583 7189660.0 | |
| 1747 159.094722405838 132067111.0 | |
| 1748 163.096954971874 92944620.0 | |
| 1749 165.073061690929 21387568.0 | |
| 1750 171.047209275619 17771318.0 | |
| 1751 183.083656577519 22405730.0 | |
| 1752 195.094697043323 12237813.0 | |
| 1753 218.102502561969 5983687580.0 | |
| 1754 280.154644213041 824926354.0 | |
| 1755 281.157982765931 132165993.0 | |
| 1756 282.15088194224 50345725.0 | |
| 1757 283.117879745799 11305583.0 | |
| 1758 292.116310171817 28849929.0 | |
| 1759 314.123625565021 14770799.0 | |
| 1760 319.157013077887 520878103.0 | |
| 1761 331.157793066718 48572665.0 | |
| 1762 333.136698745019 225287147.0 | |
| 1763 334.137621195451 65125521.0 | |
| 1764 335.132556913122 37587085.0 | |
| 1765 354.1735334822 259207371.0 | |
| 1766 355.175653733993 74511530.0 | |
| 1767 366.136938125334 8687761.0 | |
| 1768 382.167954545109 54003502.0 | |
| 1769 383.170213072623 13715188.0 | |
| 1770 | |
| 1771 NAME: C033 | |
| 1772 IONMODE: Negative | |
| 1773 SPECTRUMTYPE: Centroid | |
| 1774 RETENTIONTIME: 308.58 | |
| 1775 RETENTIONINDEX: 2007.666667 | |
| 1776 NUM PEAKS: 37 | |
| 1777 73.531605989471 771447.0 | |
| 1778 88.2802088536002 2354610.0 | |
| 1779 88.2818766644288 646520.0 | |
| 1780 92.0363412263476 2328206.0 | |
| 1781 221.067303451741 3755641.0 | |
| 1782 222.051669040714 10524048.0 | |
| 1783 237.061565171865 687333.0 | |
| 1784 238.083098637492 8557483.0 | |
| 1785 240.062245509132 10178596.0 | |
| 1786 256.093861318806 17484094.0 | |
| 1787 265.057118076144 9145518.0 | |
| 1788 266.058334909219 1732081.0 | |
| 1789 269.101188102132 9654992.0 | |
| 1790 278.101525992935 22792825.0 | |
| 1791 279.072861058162 5897290.0 | |
| 1792 279.108770697625 36753278.0 | |
| 1793 280.081173889904 6128749.0 | |
| 1794 280.107485275548 8521895.0 | |
| 1795 281.087787944372 4837816.0 | |
| 1796 281.105519178582 9807942.0 | |
| 1797 282.091190977393 3649387.0 | |
| 1798 283.084961315329 15684056.0 | |
| 1799 294.132890613133 55588073.0 | |
| 1800 295.103547633807 43574953.0 | |
| 1801 311.081455573088 1326825.0 | |
| 1802 337.096419323323 6588349.0 | |
| 1803 338.09676853852 13272175.0 | |
| 1804 339.09323718716 999466.0 | |
| 1805 353.127560017149 144550661.0 | |
| 1806 354.128795201405 49424632.0 | |
| 1807 355.122537504109 47330949.0 | |
| 1808 370.149102508131 10849913.0 | |
| 1809 371.138589402205 14600447.0 | |
| 1810 372.141582293114 4502669.0 | |
| 1811 411.142649067185 2314906.0 | |
| 1812 412.144697958491 466093.0 | |
| 1813 480.136478938358 1216442.0 | |
| 1814 | |
| 1815 NAME: C003 | |
| 1816 IONMODE: Negative | |
| 1817 SPECTRUMTYPE: Centroid | |
| 1818 RETENTIONTIME: 319.68 | |
| 1819 RETENTIONINDEX: 2069.333333 | |
| 1820 NUM PEAKS: 135 | |
| 1821 79.7880892478518 18841042.0 | |
| 1822 81.0447736395215 11849310.0 | |
| 1823 82.0287915205732 8641431.0 | |
| 1824 83.049137600019 33038328.0 | |
| 1825 84.0525192390775 7478871.0 | |
| 1826 87.0553285125512 74200004.0 | |
| 1827 89.0417142929142 74233823.0 | |
| 1828 90.0370022508945 13992895.0 | |
| 1829 91.0210436941179 2390862.0 | |
| 1830 93.044785299243 7452819.0 | |
| 1831 94.0525975127288 10453244.0 | |
| 1832 96.0444253536972 10903036.0 | |
| 1833 99.0553397906279 10231908.0 | |
| 1834 105.044808242391 6408829.0 | |
| 1835 107.052294660788 6242866.0 | |
| 1836 109.039650121962 5568695.0 | |
| 1837 110.047462837666 5061668.0 | |
| 1838 111.055323802391 5873056.0 | |
| 1839 112.039298026444 3965753.0 | |
| 1840 112.063146344341 6515958.0 | |
| 1841 113.052882942859 8276419.0 | |
| 1842 113.070935069309 6091506.0 | |
| 1843 116.06489332999 7651769.0 | |
| 1844 117.052272989142 3424764.0 | |
| 1845 119.060398059581 5015688.0 | |
| 1846 123.055298722957 6914458.0 | |
| 1847 126.036934304886 7725659.0 | |
| 1848 127.068555548084 6308443.0 | |
| 1849 129.036692025662 122379411.0 | |
| 1850 129.065799497037 22459026.0 | |
| 1851 129.072869578599 357742590.0 | |
| 1852 129.084157333304 8540678.0 | |
| 1853 130.068355771428 19512498.0 | |
| 1854 130.072660895986 17001807.0 | |
| 1855 130.076400507348 21643851.0 | |
| 1856 131.076042114677 42394426.0 | |
| 1857 132.075235945687 15098771.0 | |
| 1858 132.083789835617 26794170.0 | |
| 1859 137.070988883611 9859706.0 | |
| 1860 138.05493224095 3165654.0 | |
| 1861 139.051175003371 7069320.0 | |
| 1862 141.047778003792 23946731.0 | |
| 1863 141.065923570004 9330027.0 | |
| 1864 142.055705069575 6974963.0 | |
| 1865 144.08382621206 24138104.0 | |
| 1866 152.052612709208 12445682.0 | |
| 1867 153.047862201653 13551007.0 | |
| 1868 153.06050104986 5683251.0 | |
| 1869 154.031798596314 9702495.0 | |
| 1870 154.068135836281 22462918.0 | |
| 1871 155.063488378907 17345256.0 | |
| 1872 157.067778706704 305000842.0 | |
| 1873 157.079041955576 23421863.0 | |
| 1874 158.063049350607 79873894.0 | |
| 1875 158.071192154163 24230537.0 | |
| 1876 158.087223744981 44233946.0 | |
| 1877 159.066220496597 14412715.0 | |
| 1878 159.094678886574 63040570.0 | |
| 1879 167.063455325892 21288707.0 | |
| 1880 169.079013983553 42107910.0 | |
| 1881 170.063237400093 16300891.0 | |
| 1882 175.083575347646 36260729.0 | |
| 1883 178.068296395536 5176174.0 | |
| 1884 179.081486447783 7029930.0 | |
| 1885 180.047488487863 6887272.0 | |
| 1886 181.079036591706 29074392.0 | |
| 1887 182.087014052977 13760713.0 | |
| 1888 182.099591005081 6217729.0 | |
| 1889 184.078890320729 22831122.0 | |
| 1890 185.110259256924 10498695.0 | |
| 1891 186.094277657113 33629523.0 | |
| 1892 191.072955515118 17861044.0 | |
| 1893 194.099507858777 7280353.0 | |
| 1894 195.09471415495 25188698.0 | |
| 1895 196.078795602271 6238390.0 | |
| 1896 196.102396694031 10925562.0 | |
| 1897 199.08955397795 9152031.0 | |
| 1898 201.105247648349 119861528.0 | |
| 1899 201.112359610286 31839556.0 | |
| 1900 205.107609165375 288674074.0 | |
| 1901 206.107497510189 35502636.0 | |
| 1902 207.09499264929 14009572.0 | |
| 1903 207.103984365352 24028098.0 | |
| 1904 209.11035836202 11298196.0 | |
| 1905 210.094325451895 13575347.0 | |
| 1906 211.089848595549 23856594.0 | |
| 1907 212.097009756898 13775311.0 | |
| 1908 213.105228486782 73929890.0 | |
| 1909 219.09527736534 8505195.0 | |
| 1910 221.074300407885 14508487.0 | |
| 1911 225.105533091326 19016199.0 | |
| 1912 233.102475979575 15389167.0 | |
| 1913 242.10246806473 19687380.0 | |
| 1914 242.126657609235 11066324.0 | |
| 1915 243.134206462776 50646552.0 | |
| 1916 244.119452816047 30022076.0 | |
| 1917 245.114820894281 11088338.0 | |
| 1918 254.102870594529 5350655.0 | |
| 1919 255.134441237269 46732255.0 | |
| 1920 269.113908264442 46534893.0 | |
| 1921 270.134437529958 7090136.0 | |
| 1922 271.128972048701 37425633.0 | |
| 1923 273.144669229945 9722721.0 | |
| 1924 274.128730992046 139451474.0 | |
| 1925 275.131908166958 15282348.0 | |
| 1926 284.113416878425 8739042.0 | |
| 1927 284.137011207473 19427028.0 | |
| 1928 301.139887685895 13069124.0 | |
| 1929 303.156554156078 27321286.0 | |
| 1930 309.144715592211 11863564.0 | |
| 1931 315.155169787866 65230453.0 | |
| 1932 319.157101342607 733557628.0 | |
| 1933 320.158352325734 176280305.0 | |
| 1934 321.153241677135 74811478.0 | |
| 1935 322.157191869663 33601762.0 | |
| 1936 327.155355207603 17725445.0 | |
| 1937 333.166397555812 53890077.0 | |
| 1938 334.168322787397 15415305.0 | |
| 1939 360.184205186806 23337977.0 | |
| 1940 374.163526061853 21552675.0 | |
| 1941 399.195205285978 19867111.0 | |
| 1942 401.174241468972 35504809.0 | |
| 1943 417.205717817748 23250105.0 | |
| 1944 417.241711757457 19573381.0 | |
| 1945 418.207654920137 17403027.0 | |
| 1946 418.243205616146 12152742.0 | |
| 1947 475.229231161579 2756806.0 | |
| 1948 489.245871828029 38098072.0 | |
| 1949 490.247019499098 8845886.0 | |
| 1950 491.244269926889 10775524.0 | |
| 1951 523.250368109965 33514393.0 | |
| 1952 579.297280589764 6860747.0 | |
| 1953 595.292757936577 18386300.0 | |
| 1954 596.292128391308 11382024.0 | |
| 1955 597.290217290809 5672650.0 | |
| 1956 | |
| 1957 NAME: C040 | |
| 1958 IONMODE: Negative | |
| 1959 SPECTRUMTYPE: Centroid | |
| 1960 RETENTIONTIME: 321.31 | |
| 1961 RETENTIONINDEX: 2078.388889 | |
| 1962 NUM PEAKS: 33 | |
| 1963 86.0600682921472 9381159.0 | |
| 1964 95.0603938490297 15521059.0 | |
| 1965 97.0397339680025 24014067.0 | |
| 1966 101.041727191915 11405177.0 | |
| 1967 109.076031398849 6450381.0 | |
| 1968 110.060064337551 4270169.0 | |
| 1969 114.054970932673 26844038.0 | |
| 1970 116.052581648017 64632103.0 | |
| 1971 127.057390248286 25205024.0 | |
| 1972 143.063465628786 15227989.0 | |
| 1973 153.066212511408 20308902.0 | |
| 1974 155.052193908908 11192129.0 | |
| 1975 171.094683162695 145870739.0 | |
| 1976 173.086678279934 138408757.0 | |
| 1977 179.063456376317 25151325.0 | |
| 1978 185.07395505389 10245677.0 | |
| 1979 189.105132424236 17876612.0 | |
| 1980 194.089437340891 11945652.0 | |
| 1981 204.1102479839 32749740.0 | |
| 1982 207.032182874338 216347643.0 | |
| 1983 212.073668395226 6004502.0 | |
| 1984 223.088883694464 20724810.0 | |
| 1985 227.121667702625 16834252.0 | |
| 1986 235.100064731668 15241152.0 | |
| 1987 243.114688975684 96867894.0 | |
| 1988 255.11588382923 27970144.0 | |
| 1989 259.141882711861 14063033.0 | |
| 1990 260.113279665034 10908440.0 | |
| 1991 285.144932643761 43021732.0 | |
| 1992 286.128932061527 13523103.0 | |
| 1993 286.148425364417 16693436.0 | |
| 1994 313.139639980503 6608351.0 | |
| 1995 375.195189950703 13408933.0 | |
| 1996 | |
| 1997 NAME: C043 | |
| 1998 IONMODE: Negative | |
| 1999 SPECTRUMTYPE: Centroid | |
| 2000 RETENTIONTIME: 322.55 | |
| 2001 RETENTIONINDEX: 2085.277778 | |
| 2002 NUM PEAKS: 31 | |
| 2003 156.059933874872 8912861.0 | |
| 2004 177.039648677453 4799821.0 | |
| 2005 181.115563600531 7195900.0 | |
| 2006 193.09487906926 15763835.0 | |
| 2007 200.09747430305 23843031.0 | |
| 2008 231.116037759149 39959069.0 | |
| 2009 271.118058631062 26038024.0 | |
| 2010 280.166266545075 7691084.0 | |
| 2011 289.110428902479 16656379.0 | |
| 2012 320.145969537816 211414148.0 | |
| 2013 322.141612926358 22208031.0 | |
| 2014 331.157608063169 11160482.0 | |
| 2015 353.091465715207 23781118.0 | |
| 2016 366.135657911069 13102339.0 | |
| 2017 367.143453851581 69977117.0 | |
| 2018 379.161056373234 27830735.0 | |
| 2019 382.168034222366 63631531.0 | |
| 2020 383.168988095274 19107154.0 | |
| 2021 384.162965662993 9508332.0 | |
| 2022 394.178333716989 15610593.0 | |
| 2023 419.192353431449 38878069.0 | |
| 2024 420.193524293788 20283156.0 | |
| 2025 442.162856005418 77198856.0 | |
| 2026 443.158896747995 35519451.0 | |
| 2027 455.178042324859 9719421.0 | |
| 2028 456.186266752889 95734993.0 | |
| 2029 457.187818940189 37674463.0 | |
| 2030 458.182648048279 18615642.0 | |
| 2031 507.225806261072 36709055.0 | |
| 2032 508.226752580767 23206243.0 | |
| 2033 509.224447477455 20751399.0 | |
| 2034 | |
| 2035 NAME: C106 | |
| 2036 IONMODE: Negative | |
| 2037 SPECTRUMTYPE: Centroid | |
| 2038 RETENTIONTIME: 327.31 | |
| 2039 RETENTIONINDEX: 2113.024691 | |
| 2040 NUM PEAKS: 14 | |
| 2041 107.060453875425 16786624.0 | |
| 2042 108.031759954569 1145857.0 | |
| 2043 126.078753273933 6569465.0 | |
| 2044 140.106992964576 9610555.0 | |
| 2045 223.16234404227 2833124.0 | |
| 2046 315.179147857279 10357531.0 | |
| 2047 342.191499357712 22669547.0 | |
| 2048 343.195452147673 11955585.0 | |
| 2049 352.14363537673 164050830.0 | |
| 2050 353.195131688136 9878669.0 | |
| 2051 412.227603861564 2097760.0 | |
| 2052 431.14909170791 2788721.0 | |
| 2053 431.256719028879 8035505.0 | |
| 2054 471.251586123075 1314345.0 | |
| 2055 | |
| 2056 NAME: C048 | |
| 2057 IONMODE: Negative | |
| 2058 SPECTRUMTYPE: Centroid | |
| 2059 RETENTIONTIME: 332.6 | |
| 2060 RETENTIONINDEX: 2145.679012 | |
| 2061 NUM PEAKS: 28 | |
| 2062 72.5340064435056 602653.0 | |
| 2063 81.5458075142691 748715.0 | |
| 2064 132.549815754799 692988.0 | |
| 2065 170.086332975955 14785949.0 | |
| 2066 209.146835381513 5815023.0 | |
| 2067 249.09266209649 6128782.0 | |
| 2068 265.10006445182 42029006.0 | |
| 2069 280.122070170931 10233102.0 | |
| 2070 298.129092428406 4634830.0 | |
| 2071 312.192410839247 3728981.0 | |
| 2072 326.189386870785 60628380.0 | |
| 2073 365.164412462921 15415134.0 | |
| 2074 380.187494204804 6008176.0 | |
| 2075 381.19028863997 4661698.0 | |
| 2076 389.247712861929 1064591.0 | |
| 2077 389.265859120232 2982934.0 | |
| 2078 390.266611167546 1275499.0 | |
| 2079 401.210234296709 11323028.0 | |
| 2080 402.208423769061 9147276.0 | |
| 2081 407.175441272852 9382473.0 | |
| 2082 428.20358106623 17386556.0 | |
| 2083 429.204289307621 8328453.0 | |
| 2084 430.199491300068 7298945.0 | |
| 2085 463.284669340964 6008338.0 | |
| 2086 477.244130747149 11018691.0 | |
| 2087 478.247323567868 8304980.0 | |
| 2088 479.242460163612 13437070.0 | |
| 2089 568.243094623967 1152688.0 | |
| 2090 | |
| 2091 NAME: C031 | |
| 2092 IONMODE: Negative | |
| 2093 SPECTRUMTYPE: Centroid | |
| 2094 RETENTIONTIME: 343.13 | |
| 2095 RETENTIONINDEX: 2209.611111 | |
| 2096 NUM PEAKS: 37 | |
| 2097 72.7865025490946 3119452.0 | |
| 2098 84.0570125020815 10351640.0 | |
| 2099 96.0569661170095 2101245.0 | |
| 2100 96.0933491830713 8713172.0 | |
| 2101 115.05421543577 2196595.0 | |
| 2102 129.056845534746 17608689.0 | |
| 2103 130.066123207302 20961857.0 | |
| 2104 143.031168061935 1238230.0 | |
| 2105 156.02646872089 2359707.0 | |
| 2106 170.041790350486 9668481.0 | |
| 2107 182.042138540521 1578868.0 | |
| 2108 187.081147591519 10230195.0 | |
| 2109 190.104681372046 18745425.0 | |
| 2110 191.10831419311 24334094.0 | |
| 2111 198.071978866131 4511635.0 | |
| 2112 199.081355814471 1538475.0 | |
| 2113 200.085103935158 378722.0 | |
| 2114 200.089020900464 36174698.0 | |
| 2115 202.09361267595 12120104.0 | |
| 2116 202.104399178954 1496153674.0 | |
| 2117 202.123405237656 6884529.0 | |
| 2118 203.108034494641 185788584.0 | |
| 2119 204.112019482859 10298841.0 | |
| 2120 228.031146874981 17202036.0 | |
| 2121 291.150224848427 252295104.0 | |
| 2122 292.14944436683 42884849.0 | |
| 2123 303.171143784156 22701791.0 | |
| 2124 315.135057127894 26685169.0 | |
| 2125 339.271102342351 5201728.0 | |
| 2126 340.274555519105 1187572.0 | |
| 2127 357.281508371165 1404552.0 | |
| 2128 378.173284553302 10451091.0 | |
| 2129 378.191794242698 7062388.0 | |
| 2130 386.21095819071 8210209.0 | |
| 2131 405.185483504135 9722900.0 | |
| 2132 408.094303631496 1224219.0 | |
| 2133 415.227090004689 8222201.0 | |
| 2134 | |
| 2135 NAME: C023 | |
| 2136 IONMODE: Negative | |
| 2137 SPECTRUMTYPE: Centroid | |
| 2138 RETENTIONTIME: 350.31 | |
| 2139 RETENTIONINDEX: 2249.5 | |
| 2140 NUM PEAKS: 43 | |
| 2141 77.7885574396821 1590119.0 | |
| 2142 124.075788278623 5681187.0 | |
| 2143 125.083506885518 5177663.0 | |
| 2144 144.047612810238 5133252.0 | |
| 2145 166.073706194287 3707793.0 | |
| 2146 181.079090288901 19322318.0 | |
| 2147 195.094738008829 17210348.0 | |
| 2148 197.110298763064 33071661.0 | |
| 2149 198.113793195862 4728406.0 | |
| 2150 209.074856013102 30425501.0 | |
| 2151 222.081884374246 20934434.0 | |
| 2152 222.105547760039 34080322.0 | |
| 2153 225.105381556765 43875541.0 | |
| 2154 226.10999825976 5271837.0 | |
| 2155 236.085093344827 5629641.0 | |
| 2156 250.100377911659 17847527.0 | |
| 2157 252.027456629912 1280764.0 | |
| 2158 268.058077173001 804408.0 | |
| 2159 284.089633213583 23032355.0 | |
| 2160 294.104467454403 17022037.0 | |
| 2161 296.089123702051 15944328.0 | |
| 2162 308.089752425178 1381989.0 | |
| 2163 311.160339268322 110100448.0 | |
| 2164 312.162791273021 14416832.0 | |
| 2165 322.104907894833 3119179.0 | |
| 2166 324.066773859332 589405.0 | |
| 2167 336.155480659395 24224181.0 | |
| 2168 337.163122984553 16293373.0 | |
| 2169 340.097839296447 2734342.0 | |
| 2170 340.149205503343 18352504.0 | |
| 2171 341.152768689947 10213101.0 | |
| 2172 356.129478542785 45440125.0 | |
| 2173 368.092935453573 2180163.0 | |
| 2174 371.129225115983 18114648.0 | |
| 2175 372.129927984702 7143897.0 | |
| 2176 386.103116306562 1141137.0 | |
| 2177 426.135464427951 3630137.0 | |
| 2178 458.143591165157 3108388.0 | |
| 2179 459.144017929584 899107.0 | |
| 2180 502.204686596231 8626039.0 | |
| 2181 504.203250053874 3671689.0 | |
| 2182 604.221538169222 1054387.0 | |
| 2183 605.223365106083 750123.0 | |
| 2184 | |
| 2185 NAME: C017 | |
| 2186 IONMODE: Negative | |
| 2187 SPECTRUMTYPE: Centroid | |
| 2188 RETENTIONTIME: 363.28 | |
| 2189 RETENTIONINDEX: 2321.555556 | |
| 2190 NUM PEAKS: 52 | |
| 2191 71.5249297468395 246824.0 | |
| 2192 72.0444156740603 1726774.0 | |
| 2193 96.0444072131039 11266100.0 | |
| 2194 112.039308708706 6790422.0 | |
| 2195 113.047087267754 595753.0 | |
| 2196 138.054901673707 1710118.0 | |
| 2197 152.034126557822 21633027.0 | |
| 2198 156.023701807881 1967786.0 | |
| 2199 160.039220578349 32923367.0 | |
| 2200 164.034044369769 499581.0 | |
| 2201 166.050528490317 6718530.0 | |
| 2202 168.059981182251 4640395.0 | |
| 2203 178.04953633373 8240390.0 | |
| 2204 186.094306390545 25321594.0 | |
| 2205 187.097681648484 6160124.0 | |
| 2206 199.065318185637 8233103.0 | |
| 2207 200.04959610159 6582750.0 | |
| 2208 207.047215024998 11624832.0 | |
| 2209 209.062482948667 4620342.0 | |
| 2210 228.104835108508 12976891.0 | |
| 2211 234.058024007269 4152098.0 | |
| 2212 235.041774349505 9911154.0 | |
| 2213 236.073540813578 3485184.0 | |
| 2214 238.053507699979 3142392.0 | |
| 2215 242.114336943818 20725836.0 | |
| 2216 251.073039314037 4069211.0 | |
| 2217 252.068681412175 4503979.0 | |
| 2218 262.106485915524 7277480.0 | |
| 2219 263.108393668682 3276005.0 | |
| 2220 270.073861516055 5128172.0 | |
| 2221 283.082109287145 12423548.0 | |
| 2222 286.104988585487 39154375.0 | |
| 2223 287.107464137544 10058759.0 | |
| 2224 294.079077738347 832223.0 | |
| 2225 302.111577044952 2758207.0 | |
| 2226 324.10782685991 1874408.0 | |
| 2227 325.091831782177 2035733.0 | |
| 2228 333.122988617868 4182643.0 | |
| 2229 339.155423098214 20744911.0 | |
| 2230 349.103055195824 238665.0 | |
| 2231 366.118429355055 3199120.0 | |
| 2232 374.14466736748 4720531.0 | |
| 2233 384.128590697433 3181947.0 | |
| 2234 397.131397320935 5250056.0 | |
| 2235 411.169866084604 1673162.0 | |
| 2236 462.216349668248 6932026.0 | |
| 2237 474.17880037619 2245645.0 | |
| 2238 475.181385923857 2942038.0 | |
| 2239 481.194310772398 481103.0 | |
| 2240 564.229867412985 1096065.0 | |
| 2241 565.232671046918 455344.0 | |
| 2242 566.230541338632 549961.0 | |
| 2243 | |
| 2244 NAME: C035 | |
| 2245 IONMODE: Negative | |
| 2246 SPECTRUMTYPE: Centroid | |
| 2247 RETENTIONTIME: 419.04 | |
| 2248 RETENTIONINDEX: 2687.619048 | |
| 2249 NUM PEAKS: 36 | |
| 2250 95.0603974165688 32407725.0 | |
| 2251 96.0682831727683 18886041.0 | |
| 2252 109.076038591831 7982766.0 | |
| 2253 188.128421865281 16057927.0 | |
| 2254 195.094898298977 19148777.0 | |
| 2255 199.126238521047 6978513.0 | |
| 2256 204.099626323395 456431665.0 | |
| 2257 205.098899425485 31710600.0 | |
| 2258 207.131269678805 1766648.0 | |
| 2259 208.102696883827 8646753.0 | |
| 2260 209.110448313553 15791517.0 | |
| 2261 219.094951156149 7933252.0 | |
| 2262 222.118247897013 9312287.0 | |
| 2263 224.121505558916 9523093.0 | |
| 2264 227.127097239983 9458739.0 | |
| 2265 233.110208428279 8712578.0 | |
| 2266 235.126196735619 11049396.0 | |
| 2267 243.122924475103 38841337.0 | |
| 2268 245.066317789903 31579845.0 | |
| 2269 262.137112258936 6121680.0 | |
| 2270 271.118026464116 33196335.0 | |
| 2271 323.184126924107 11429234.0 | |
| 2272 331.157780054126 26531872.0 | |
| 2273 361.168017007879 75479202.0 | |
| 2274 362.169988150521 20893295.0 | |
| 2275 363.164412931753 17536320.0 | |
| 2276 404.173578579216 14430179.0 | |
| 2277 448.200200932766 16691765.0 | |
| 2278 449.202614049514 12609750.0 | |
| 2279 526.301181556855 5373746.0 | |
| 2280 528.299310062466 5674753.0 | |
| 2281 606.30762070488 4480742.0 | |
| 2282 607.310524726956 5466162.0 | |
| 2283 621.33034309982 10593067.0 | |
| 2284 622.333291642746 5309767.0 | |
| 2285 623.329947150646 3299604.0 | |
| 2286 | |
| 2287 NAME: C047 | |
| 2288 IONMODE: Negative | |
| 2289 SPECTRUMTYPE: Centroid | |
| 2290 RETENTIONTIME: 422.18 | |
| 2291 RETENTIONINDEX: 2713.859649 | |
| 2292 NUM PEAKS: 28 | |
| 2293 84.0808191171686 103468958.0 | |
| 2294 88.0577475337021 8848518.0 | |
| 2295 98.0964571576452 16061374.0 | |
| 2296 99.0998078996579 2174349.0 | |
| 2297 100.00327941202 7260138.0 | |
| 2298 112.112091323483 16111434.0 | |
| 2299 118.104687668833 2169177.0 | |
| 2300 139.068634728094 7008898.0 | |
| 2301 155.107952200175 30701320.0 | |
| 2302 155.112350628434 8291470.0 | |
| 2303 183.13107483676 16644478.0 | |
| 2304 185.146721109425 3122275.0 | |
| 2305 197.146708574463 2805993.0 | |
| 2306 203.139197668849 3424101.0 | |
| 2307 215.140027552841 9165781.0 | |
| 2308 229.155358701312 22347634.0 | |
| 2309 244.178463814469 1523884.0 | |
| 2310 257.186632571696 16541112.0 | |
| 2311 258.189911048901 4297129.0 | |
| 2312 271.201952016643 4903824.0 | |
| 2313 273.217586753219 5116647.0 | |
| 2314 301.194683298178 5009860.0 | |
| 2315 372.267671753689 7130700.0 | |
| 2316 373.175782428382 9590811.0 | |
| 2317 374.181671825121 13597700.0 | |
| 2318 388.299098027846 1856218.0 | |
| 2319 547.389445054236 2088026.0 | |
| 2320 548.391059375424 1164631.0 | |
| 2321 | |
| 2322 NAME: C024 | |
| 2323 IONMODE: Negative | |
| 2324 SPECTRUMTYPE: Centroid | |
| 2325 RETENTIONTIME: 424.04 | |
| 2326 RETENTIONINDEX: 2730.175439 | |
| 2327 NUM PEAKS: 40 | |
| 2328 82.0651263569676 25308880.0 | |
| 2329 92.9923118680449 16012167.0 | |
| 2330 94.0651723611115 18262450.0 | |
| 2331 106.894778739843 8499083.0 | |
| 2332 108.892755028855 10025072.0 | |
| 2333 108.910464238813 10018665.0 | |
| 2334 110.042100519649 5719833.0 | |
| 2335 110.908368345928 10546721.0 | |
| 2336 113.065488251705 3653171.0 | |
| 2337 146.117107655767 32728599.0 | |
| 2338 154.068046860701 10256673.0 | |
| 2339 167.099734800349 27569474.0 | |
| 2340 174.10381124341 10875667.0 | |
| 2341 174.112715553449 1374226795.0 | |
| 2342 175.112210626881 186301499.0 | |
| 2343 176.109484907921 77341701.0 | |
| 2344 176.115627055979 11947090.0 | |
| 2345 183.14363558598 3122862.0 | |
| 2346 198.113272140702 5672910.0 | |
| 2347 202.14398863116 5224970.0 | |
| 2348 211.162373182354 3984101.0 | |
| 2349 226.113237521737 8140673.0 | |
| 2350 237.141986562463 8791332.0 | |
| 2351 239.157252324119 6947219.0 | |
| 2352 256.118482093067 12826496.0 | |
| 2353 269.1682924135 14348202.0 | |
| 2354 288.144510500905 47092313.0 | |
| 2355 289.147739066377 14621715.0 | |
| 2356 383.181393903392 36640225.0 | |
| 2357 384.184939233516 13794476.0 | |
| 2358 415.190604017868 5365814.0 | |
| 2359 416.191186535682 4499496.0 | |
| 2360 440.221484659875 8682110.0 | |
| 2361 444.228496623713 32384256.0 | |
| 2362 445.230540241054 13763485.0 | |
| 2363 482.218855944403 8976329.0 | |
| 2364 530.271895174229 23060424.0 | |
| 2365 531.272877641484 12909294.0 | |
| 2366 532.269866294195 6721522.0 | |
| 2367 545.295284438011 6399860.0 | |
| 2368 | |
| 2369 NAME: C022 | |
| 2370 IONMODE: Negative | |
| 2371 SPECTRUMTYPE: Centroid | |
| 2372 RETENTIONTIME: 424.58 | |
| 2373 RETENTIONINDEX: 2734.912281 | |
| 2374 NUM PEAKS: 43 | |
| 2375 81.0573376366625 3562488.0 | |
| 2376 94.9892845847694 3674630.0 | |
| 2377 104.052672604488 21418307.0 | |
| 2378 110.096434596163 9969661.0 | |
| 2379 114.073428499901 155475232.0 | |
| 2380 116.089026787899 1574885266.0 | |
| 2381 117.088575456065 70784735.0 | |
| 2382 118.085795569372 34843255.0 | |
| 2383 129.096900718872 103842083.0 | |
| 2384 130.096424956022 3537439.0 | |
| 2385 130.104732313687 128212693.0 | |
| 2386 131.104195171215 4285997.0 | |
| 2387 131.108106912226 5547407.0 | |
| 2388 141.096739267978 4815919.0 | |
| 2389 142.104767574255 509329028.0 | |
| 2390 143.108017488306 39968261.0 | |
| 2391 144.120327874097 2393485501.0 | |
| 2392 145.12173923044 77539295.0 | |
| 2393 146.123009722424 16238684.0 | |
| 2394 152.088973772447 5357544.0 | |
| 2395 154.104708801686 63215785.0 | |
| 2396 156.120247878266 418910163.0 | |
| 2397 160.097244503421 583186312.0 | |
| 2398 161.096687688088 73127265.0 | |
| 2399 162.094031165753 41078258.0 | |
| 2400 170.08258812398 13533638.0 | |
| 2401 172.0972937679 688687598.0 | |
| 2402 172.132676016457 3677741.0 | |
| 2403 173.097351471245 93145255.0 | |
| 2404 182.13592579777 10898812.0 | |
| 2405 186.112685146004 83531516.0 | |
| 2406 201.136154093747 101891375.0 | |
| 2407 202.135625702837 7645841.0 | |
| 2408 203.133082621727 6458697.0 | |
| 2409 269.186400344032 4397744.0 | |
| 2410 287.179115764836 8122367.0 | |
| 2411 299.233271021225 12118602.0 | |
| 2412 303.209981393679 17356689.0 | |
| 2413 329.225591576827 39029170.0 | |
| 2414 330.227101851677 22295674.0 | |
| 2415 331.221579609236 22559073.0 | |
| 2416 346.258691633891 7261684.0 | |
| 2417 347.253540501442 2643142.0 | |
| 2418 | |
| 2419 NAME: C030 | |
| 2420 IONMODE: Negative | |
| 2421 SPECTRUMTYPE: Centroid | |
| 2422 RETENTIONTIME: 429.44 | |
| 2423 RETENTIONINDEX: 2777.54386 | |
| 2424 NUM PEAKS: 37 | |
| 2425 78.7740531759659 645618.0 | |
| 2426 79.5357286288103 801248.0 | |
| 2427 81.0335514238126 13297955.0 | |
| 2428 115.292633558058 424452.0 | |
| 2429 225.016197747059 652487.0 | |
| 2430 230.078810032037 4830561.0 | |
| 2431 255.086554559247 10405199.0 | |
| 2432 315.102721812664 44899033.0 | |
| 2433 316.102389737487 8795064.0 | |
| 2434 317.081716363089 7692971.0 | |
| 2435 317.141985119681 6662863.0 | |
| 2436 318.082488852615 717401.0 | |
| 2437 319.078790440608 1439712.0 | |
| 2438 342.149036618437 10085625.0 | |
| 2439 343.15728471608 11595391.0 | |
| 2440 345.13655980155 8350972.0 | |
| 2441 371.129441802782 9740712.0 | |
| 2442 372.129827086617 2220080.0 | |
| 2443 385.108311678976 1210089.0 | |
| 2444 386.134294504807 3000813.0 | |
| 2445 391.117143776424 1641688.0 | |
| 2446 422.115869133579 1065019.0 | |
| 2447 423.123156299875 1273668.0 | |
| 2448 430.15356607848 5088240.0 | |
| 2449 445.147122221048 24141183.0 | |
| 2450 446.149390657122 10155114.0 | |
| 2451 447.142657769277 8046928.0 | |
| 2452 448.145703168269 630739.0 | |
| 2453 457.148443398341 594920.0 | |
| 2454 461.169944823223 2623695.0 | |
| 2455 461.178812403343 52320696.0 | |
| 2456 462.180517288488 18531358.0 | |
| 2457 463.176454840769 7765411.0 | |
| 2458 464.17694772706 3514790.0 | |
| 2459 533.219885049753 5925076.0 | |
| 2460 537.196467484454 1477548.0 | |
| 2461 616.232702617502 612011.0 | |
| 2462 | |
| 2463 NAME: C038 | |
| 2464 IONMODE: Negative | |
| 2465 SPECTRUMTYPE: Centroid | |
| 2466 RETENTIONTIME: 442.98 | |
| 2467 RETENTIONINDEX: 2907.222222 | |
| 2468 NUM PEAKS: 33 | |
| 2469 99.0804884227928 3200739.0 | |
| 2470 106.065225480003 8906112.0 | |
| 2471 117.07012981231 22591795.0 | |
| 2472 118.065215169466 8817869.0 | |
| 2473 128.062047037701 6952364.0 | |
| 2474 143.088680889014 22230277.0 | |
| 2475 148.075647089784 7462412.0 | |
| 2476 167.088723643923 7473684.0 | |
| 2477 169.104319112695 10907533.0 | |
| 2478 170.108122394932 1128824.0 | |
| 2479 185.095395837561 3577942.0 | |
| 2480 185.132380916644 3362634.0 | |
| 2481 193.104078598795 4431494.0 | |
| 2482 211.111807798743 8977996.0 | |
| 2483 211.148156111988 6752012.0 | |
| 2484 212.110165228441 6784988.0 | |
| 2485 226.089535059062 15185348.0 | |
| 2486 233.102515965042 7940032.0 | |
| 2487 255.122979031483 7906659.0 | |
| 2488 261.167212087518 1694859.0 | |
| 2489 273.167378839384 3167347.0 | |
| 2490 292.172909927809 2141806.0 | |
| 2491 351.217488143476 2845076.0 | |
| 2492 392.214532169021 2391046.0 | |
| 2493 393.227141019897 5900852.0 | |
| 2494 460.283095533751 1163129.0 | |
| 2495 481.262106443751 6423818.0 | |
| 2496 482.264034187953 2330060.0 | |
| 2497 484.280021734427 3011739.0 | |
| 2498 552.348366341111 2284701.0 | |
| 2499 566.351974463013 2747288.0 | |
| 2500 567.27727231121 4861778.0 | |
| 2501 568.279454709462 3420002.0 | |
| 2502 | |
| 2503 NAME: C026 | |
| 2504 IONMODE: Negative | |
| 2505 SPECTRUMTYPE: Centroid | |
| 2506 RETENTIONTIME: 466.68 | |
| 2507 RETENTIONINDEX: 3130.526316 | |
| 2508 NUM PEAKS: 38 | |
| 2509 136.039304645197 22701241.0 | |
| 2510 139.038996520846 745717.0 | |
| 2511 159.047273175015 8890554.0 | |
| 2512 162.054978603596 570773.0 | |
| 2513 167.033840626288 6408534.0 | |
| 2514 187.078483525238 4990846.0 | |
| 2515 192.066380296325 8265523.0 | |
| 2516 196.060509740673 12112124.0 | |
| 2517 208.060638207996 5353250.0 | |
| 2518 227.073605801185 7713301.0 | |
| 2519 234.074893224332 14841417.0 | |
| 2520 235.07936789149 937541.0 | |
| 2521 259.141764658932 22735857.0 | |
| 2522 270.115652387086 17104463.0 | |
| 2523 298.110609077946 33064195.0 | |
| 2524 299.113567689431 8775380.0 | |
| 2525 300.144316983652 34040196.0 | |
| 2526 310.11043214709 4131584.0 | |
| 2527 324.12633578117 15927030.0 | |
| 2528 358.149702869035 13042085.0 | |
| 2529 376.161028159043 7153436.0 | |
| 2530 414.176139400716 9074555.0 | |
| 2531 415.178595464901 6276356.0 | |
| 2532 443.184966351151 1475104.0 | |
| 2533 478.210856498545 18468268.0 | |
| 2534 502.419688454427 603309.0 | |
| 2535 504.209456792547 329424.0 | |
| 2536 504.22591790075 14337099.0 | |
| 2537 505.229611771036 9594940.0 | |
| 2538 506.224401680961 4137829.0 | |
| 2539 552.266802257116 6209498.0 | |
| 2540 578.247193943156 1696639.0 | |
| 2541 579.248662341027 926190.0 | |
| 2542 594.27700383899 4948544.0 | |
| 2543 595.281245956406 5439786.0 | |
| 2544 608.312095522762 2270125.0 | |
| 2545 627.308707841513 2019744.0 | |
| 2546 684.329277730748 2352283.0 | |
| 2547 | |
| 2548 NAME: C005 | |
| 2549 IONMODE: Negative | |
| 2550 SPECTRUMTYPE: Centroid | |
| 2551 RETENTIONTIME: 470.86 | |
| 2552 RETENTIONINDEX: 3167.192982 | |
| 2553 NUM PEAKS: 131 | |
| 2554 71.0855421479009 5231278.0 | |
| 2555 77.0385664511503 17152253.0 | |
| 2556 82.0732634362063 9054909.0 | |
| 2557 82.3283746811685 1196631.0 | |
| 2558 88.3283941477269 1028014.0 | |
| 2559 91.0542569755102 85402696.0 | |
| 2560 92.057636778598 7355697.0 | |
| 2561 92.08419302531 1132732.0 | |
| 2562 94.0733070011291 3889576.0 | |
| 2563 108.08883876221 4337453.0 | |
| 2564 108.09331080561 5382482.0 | |
| 2565 110.104557499963 3684338.0 | |
| 2566 120.088927025685 5840462.0 | |
| 2567 120.093363991862 18136057.0 | |
| 2568 121.09700673659 1481503.0 | |
| 2569 122.104467455438 6342814.0 | |
| 2570 122.109007817844 5501422.0 | |
| 2571 129.072703863173 165347599.0 | |
| 2572 130.072766970682 8011610.0 | |
| 2573 130.076487415793 7214640.0 | |
| 2574 132.093332978219 9521817.0 | |
| 2575 134.104632630405 4460893.0 | |
| 2576 136.120209954776 3822389.0 | |
| 2577 136.124634436885 1961464.0 | |
| 2578 137.132483969006 11512690.0 | |
| 2579 138.135748313291 1167964.0 | |
| 2580 146.104336778046 9451302.0 | |
| 2581 146.10895874309 9625734.0 | |
| 2582 148.124535089325 8543753.0 | |
| 2583 149.13252530075 23335319.0 | |
| 2584 150.135578678231 3366619.0 | |
| 2585 151.147979664568 6653472.0 | |
| 2586 157.10102000482 20469233.0 | |
| 2587 159.116757656893 51375551.0 | |
| 2588 160.124577046282 25802247.0 | |
| 2589 161.132408952607 30671465.0 | |
| 2590 162.135832350855 5512666.0 | |
| 2591 162.140260203304 5791727.0 | |
| 2592 163.147965907767 29954453.0 | |
| 2593 164.151233259397 5771386.0 | |
| 2594 165.163369242261 5318399.0 | |
| 2595 169.104410526453 8062623.0 | |
| 2596 171.116827012348 18246416.0 | |
| 2597 173.132450599756 25484464.0 | |
| 2598 174.138185081777 9689089.0 | |
| 2599 175.148155219678 15800437.0 | |
| 2600 176.15153622842 2909924.0 | |
| 2601 177.163609702921 14021529.0 | |
| 2602 178.166602029859 2005736.0 | |
| 2603 179.178718089774 4578526.0 | |
| 2604 185.13242973467 14730920.0 | |
| 2605 186.140223452716 2426501.0 | |
| 2606 187.147936033357 12024278.0 | |
| 2607 188.152967971112 2450425.0 | |
| 2608 189.163587703438 14828774.0 | |
| 2609 190.166699474079 2753204.0 | |
| 2610 191.179353688003 9287015.0 | |
| 2611 192.182618296882 1468952.0 | |
| 2612 193.195126791908 6291696.0 | |
| 2613 199.148125910147 17515810.0 | |
| 2614 200.155899410209 5929850.0 | |
| 2615 201.163606372509 16373494.0 | |
| 2616 202.166963586276 2963997.0 | |
| 2617 203.179597701892 25899263.0 | |
| 2618 204.18285719336 4724938.0 | |
| 2619 205.195196169602 8800208.0 | |
| 2620 206.202938133338 4573220.0 | |
| 2621 207.209932530154 4634568.0 | |
| 2622 213.163606081894 27771946.0 | |
| 2623 214.166941808588 7248493.0 | |
| 2624 214.172003388011 2560619.0 | |
| 2625 215.179278703734 15579899.0 | |
| 2626 216.182607084588 2806267.0 | |
| 2627 217.19503711512 22623441.0 | |
| 2628 218.197999976334 4283364.0 | |
| 2629 219.210613084576 17835045.0 | |
| 2630 220.213542545681 3107974.0 | |
| 2631 221.22585465571 1112010.0 | |
| 2632 227.179184150695 10266249.0 | |
| 2633 229.195092245233 8479599.0 | |
| 2634 230.198520405678 1512297.0 | |
| 2635 231.209855103064 6631668.0 | |
| 2636 232.213536523501 1154923.0 | |
| 2637 233.225592367444 20781341.0 | |
| 2638 234.229302168729 3671518.0 | |
| 2639 241.195034760735 7453795.0 | |
| 2640 245.226162187032 10987311.0 | |
| 2641 246.233759914797 3928238.0 | |
| 2642 247.241903470725 34088599.0 | |
| 2643 248.245559155714 7136408.0 | |
| 2644 255.210974513013 52501395.0 | |
| 2645 256.213852907184 11854021.0 | |
| 2646 259.242308351489 14234632.0 | |
| 2647 260.250198864262 3651020.0 | |
| 2648 261.258138270148 1401051.0 | |
| 2649 269.22650899089 1870329.0 | |
| 2650 273.257550597912 10507133.0 | |
| 2651 274.265991951803 2894052.0 | |
| 2652 275.273489793873 9588486.0 | |
| 2653 276.276406531617 1902902.0 | |
| 2654 285.257454346804 1168905.0 | |
| 2655 287.273437026002 1780360.0 | |
| 2656 290.205978284428 3403602.0 | |
| 2657 291.214287296408 3280585.0 | |
| 2658 299.273490922892 3083859.0 | |
| 2659 301.288738927544 12588147.0 | |
| 2660 302.291964727734 2839173.0 | |
| 2661 313.288908703295 4682652.0 | |
| 2662 325.288562601968 3791998.0 | |
| 2663 326.296976016767 10070070.0 | |
| 2664 328.312060049446 31304469.0 | |
| 2665 329.320206601031 103557452.0 | |
| 2666 330.323340895114 33413403.0 | |
| 2667 331.326525286967 4234508.0 | |
| 2668 339.3045672974 13077766.0 | |
| 2669 340.312371786765 8034300.0 | |
| 2670 341.315200175342 2483611.0 | |
| 2671 342.327498389436 2394411.0 | |
| 2672 346.263737151805 1026815.0 | |
| 2673 354.32383876836 21123999.0 | |
| 2674 367.335904659768 5021631.0 | |
| 2675 368.34317293615 92837071.0 | |
| 2676 369.347017588821 32248471.0 | |
| 2677 370.350561179242 4967588.0 | |
| 2678 425.359787963844 1281367.0 | |
| 2679 429.354633109529 1368500.0 | |
| 2680 443.370317749092 18463087.0 | |
| 2681 444.37413582235 6464131.0 | |
| 2682 458.394395914106 33036024.0 | |
| 2683 459.396960465854 12742119.0 | |
| 2684 460.400687283673 1861667.0 | |
| 2685 | |
| 2686 NAME: C034 | |
| 2687 IONMODE: Negative | |
| 2688 SPECTRUMTYPE: Centroid | |
| 2689 RETENTIONTIME: 472.04 | |
| 2690 RETENTIONINDEX: 3177.54386 | |
| 2691 NUM PEAKS: 36 | |
| 2692 79.054276509157 50410573.0 | |
| 2693 79.9256271001622 36323371.0 | |
| 2694 81.0699028490817 65792852.0 | |
| 2695 81.9236143390691 35303738.0 | |
| 2696 83.0855197742773 18108705.0 | |
| 2697 93.0699125441727 55534987.0 | |
| 2698 94.0777641868923 7428152.0 | |
| 2699 95.0491703642809 3995554.0 | |
| 2700 95.0855228641286 86321279.0 | |
| 2701 97.1012304653706 14710484.0 | |
| 2702 105.069966409147 82496797.0 | |
| 2703 106.073243719929 8197837.0 | |
| 2704 106.077731236607 8811881.0 | |
| 2705 109.101180470828 48620387.0 | |
| 2706 111.116884954921 13068754.0 | |
| 2707 115.054173067603 18587691.0 | |
| 2708 117.069989480068 42990806.0 | |
| 2709 118.077691617587 9087869.0 | |
| 2710 119.085572568403 74987843.0 | |
| 2711 123.11679448774 26328027.0 | |
| 2712 128.061976196738 11577519.0 | |
| 2713 131.085646471898 48783281.0 | |
| 2714 133.1012370695 52201958.0 | |
| 2715 135.116884989063 43702141.0 | |
| 2716 143.085500237204 39176611.0 | |
| 2717 145.101085467268 86974867.0 | |
| 2718 147.116848701127 45103339.0 | |
| 2719 154.078965344867 10956674.0 | |
| 2720 158.107366995179 10730788.0 | |
| 2721 166.072565291926 4763479.0 | |
| 2722 181.103947567113 6771507.0 | |
| 2723 257.226481917835 3067305.0 | |
| 2724 271.24217886118 1666197.0 | |
| 2725 327.30434938533 8322688.0 | |
| 2726 445.38549209862 886812.0 | |
| 2727 456.378147711695 1982267.0 | |
| 2728 | |
| 2729 NAME: C046 | |
| 2730 IONMODE: Negative | |
| 2731 SPECTRUMTYPE: Centroid | |
| 2732 RETENTIONTIME: 473.25 | |
| 2733 RETENTIONINDEX: 3188.157895 | |
| 2734 NUM PEAKS: 28 | |
| 2735 169.091814824045 15401811.0 | |
| 2736 181.055328401712 7488355.0 | |
| 2737 181.067404235639 10688882.0 | |
| 2738 224.0738886392 10720860.0 | |
| 2739 243.122997622351 82545248.0 | |
| 2740 250.089657359438 11357700.0 | |
| 2741 254.084524085365 19125123.0 | |
| 2742 255.087579796205 6979457.0 | |
| 2743 270.134154286255 10720655.0 | |
| 2744 292.1001454618 9510818.0 | |
| 2745 317.141993943707 6884769.0 | |
| 2746 323.112474020727 5931066.0 | |
| 2747 340.139652175563 6005615.0 | |
| 2748 356.134491294237 22977941.0 | |
| 2749 382.15043389183 23731272.0 | |
| 2750 402.194149068429 11077599.0 | |
| 2751 472.200233326038 12359994.0 | |
| 2752 473.201914910151 8470607.0 | |
| 2753 562.252270006814 19690025.0 | |
| 2754 563.252100037042 8694890.0 | |
| 2755 609.314457944314 1306961.0 | |
| 2756 628.305877521448 1867711.0 | |
| 2757 636.271611633537 2746784.0 | |
| 2758 637.272297794106 1540253.0 | |
| 2759 652.303888309006 6730465.0 | |
| 2760 653.306439891693 3895432.0 | |
| 2761 654.302726532633 876671.0 | |
| 2762 666.319802928903 1899563.0 | |
| 2763 | |
| 2764 NAME: C036 | |
| 2765 IONMODE: Negative | |
| 2766 SPECTRUMTYPE: Centroid | |
| 2767 RETENTIONTIME: 475.39 | |
| 2768 RETENTIONINDEX: 3206.269841 | |
| 2769 NUM PEAKS: 35 | |
| 2770 107.085516154551 9483947.0 | |
| 2771 121.101152855244 10618347.0 | |
| 2772 145.085572412304 8259660.0 | |
| 2773 179.05223246647 6363569.0 | |
| 2774 197.086498039355 17329105.0 | |
| 2775 230.078829355435 6684386.0 | |
| 2776 251.037265753883 34549444.0 | |
| 2777 254.198163028426 7344596.0 | |
| 2778 267.210625620691 772644.0 | |
| 2779 269.168361439502 5940302.0 | |
| 2780 271.118092199178 63188229.0 | |
| 2781 281.226188330672 1420828.0 | |
| 2782 282.234387687099 1523339.0 | |
| 2783 326.965485885604 32638471.0 | |
| 2784 329.141579694069 7241551.0 | |
| 2785 338.123672322283 2935042.0 | |
| 2786 341.017166438337 179645236.0 | |
| 2787 343.244425613751 3330598.0 | |
| 2788 344.247836580119 12333391.0 | |
| 2789 351.304108530897 3416820.0 | |
| 2790 352.307926065663 1042419.0 | |
| 2791 366.32751353275 1426870.0 | |
| 2792 372.284344328841 936678.0 | |
| 2793 385.023014471137 16619837.0 | |
| 2794 387.002440614842 40889160.0 | |
| 2795 387.071811234133 47441240.0 | |
| 2796 399.075385167548 11818432.0 | |
| 2797 399.32843302461 2121975.0 | |
| 2798 401.053626852815 143645547.0 | |
| 2799 417.103726002997 29001031.0 | |
| 2800 461.090278099879 64865175.0 | |
| 2801 491.122509223354 28003209.0 | |
| 2802 535.109167132583 30457185.0 | |
| 2803 623.183374016273 39315704.0 | |
| 2804 639.37155606433 1716606.0 | |
| 2805 | |
| 2806 NAME: C027 | |
| 2807 IONMODE: Negative | |
| 2808 SPECTRUMTYPE: Centroid | |
| 2809 RETENTIONTIME: 553.98 | |
| 2810 RETENTIONINDEX: 3689.428571 | |
| 2811 NUM PEAKS: 38 | |
| 2812 77.8176745906921 1105498.0 | |
| 2813 78.0684636990198 96306.0 | |
| 2814 82.0732795848055 9728206.0 | |
| 2815 83.0855186685394 3813751.0 | |
| 2816 84.0570203051836 24187326.0 | |
| 2817 96.0889137639502 13565062.0 | |
| 2818 110.104528290505 4331643.0 | |
| 2819 125.132499434281 9242936.0 | |
| 2820 137.132564763949 12643663.0 | |
| 2821 151.148014765965 272037.0 | |
| 2822 165.163722354008 6773696.0 | |
| 2823 221.225726286574 177335.0 | |
| 2824 239.094687744633 26374355.0 | |
| 2825 241.091546207015 2365852.0 | |
| 2826 252.267876882654 725613.0 | |
| 2827 264.267689650579 609854.0 | |
| 2828 279.071777922903 14927474.0 | |
| 2829 280.263490027391 3433705.0 | |
| 2830 281.26667063529 618451.0 | |
| 2831 283.245428279181 11477561.0 | |
| 2832 295.103228182222 8954116.0 | |
| 2833 309.260963609748 3057013.0 | |
| 2834 310.263897463589 2019257.0 | |
| 2835 311.254766620926 552885.0 | |
| 2836 311.276719257874 66644267.0 | |
| 2837 311.297431981013 382907.0 | |
| 2838 312.280109979739 15093727.0 | |
| 2839 313.273076732248 5643033.0 | |
| 2840 313.282260329117 7566843.0 | |
| 2841 314.276738618869 3451603.0 | |
| 2842 338.287235073685 2209958.0 | |
| 2843 339.29029588596 4425253.0 | |
| 2844 352.302761596925 3169411.0 | |
| 2845 380.297965788857 180319.0 | |
| 2846 408.329164396672 436036.0 | |
| 2847 503.107984232703 8240469.0 | |
| 2848 576.519464198185 921322.0 | |
| 2849 577.52028426797 362736.0 | |
| 2850 | |
| 2851 NAME: C120 | |
| 2852 IONMODE: Negative | |
| 2853 SPECTRUMTYPE: Centroid | |
| 2854 RETENTIONTIME: 685.09 | |
| 2855 RETENTIONINDEX: 4126.458333 | |
| 2856 NUM PEAKS: 11 | |
| 2857 75.0229692071453 2301993.0 | |
| 2858 93.0698779063908 1663778.0 | |
| 2859 103.054293606216 15510427.0 | |
| 2860 105.03356058112 2066627.0 | |
| 2861 107.049209583129 2707336.0 | |
| 2862 117.070003671357 12306337.0 | |
| 2863 131.085664276014 3224819.0 | |
| 2864 151.057109467382 1307911.0 | |
| 2865 152.061836547775 1997804.0 | |
| 2866 165.069686482543 3244386.0 | |
| 2867 167.085333294048 2425647.0 | |
| 2868 | |
| 2869 NAME: C028 | |
| 2870 IONMODE: Negative | |
| 2871 SPECTRUMTYPE: Centroid | |
| 2872 RETENTIONTIME: 686.64 | |
| 2873 RETENTIONINDEX: 4131.071429 | |
| 2874 NUM PEAKS: 37 | |
| 2875 77.0385523178361 7668362.0 | |
| 2876 78.0464678776025 17319313.0 | |
| 2877 79.0542606689319 2904348.0 | |
| 2878 88.9510113857997 2439712.0 | |
| 2879 89.0385704861689 3355834.0 | |
| 2880 92.057660976223 2879321.0 | |
| 2881 95.0491811761544 1998774.0 | |
| 2882 102.04646725429 3400914.0 | |
| 2883 105.069957582721 5675971.0 | |
| 2884 115.054182654207 9716653.0 | |
| 2885 118.077720405861 5394116.0 | |
| 2886 128.061981218478 4093835.0 | |
| 2887 137.008549033237 5914490.0 | |
| 2888 138.987684351396 2553780.0 | |
| 2889 141.069849381195 2749159.0 | |
| 2890 153.003209528696 5025385.0 | |
| 2891 153.069742444283 2210223.0 | |
| 2892 155.085611606336 1761830.0 | |
| 2893 161.077981144155 2605379.0 | |
| 2894 169.034685505322 4162150.0 | |
| 2895 185.092175287606 1912104.0 | |
| 2896 192.008016238982 1261671.0 | |
| 2897 193.016675702985 7164164.0 | |
| 2898 194.99573281518 18486379.0 | |
| 2899 196.975032053094 14363577.0 | |
| 2900 208.101122598463 2611232.0 | |
| 2901 208.105724404211 4517486.0 | |
| 2902 209.081187187617 10329646.0 | |
| 2903 225.042800158645 335927310.0 | |
| 2904 225.075711292344 4851132.0 | |
| 2905 227.022154115241 61980398.0 | |
| 2906 229.001495256691 15378341.0 | |
| 2907 254.999091183823 2546060.0 | |
| 2908 283.030754349748 30753432.0 | |
| 2909 285.027184878933 4699884.0 | |
| 2910 359.167478739011 3613836.0 | |
| 2911 429.088685133481 14549168.0 | |
| 2912 | |
| 2913 NAME: C045 | |
| 2914 IONMODE: Negative | |
| 2915 SPECTRUMTYPE: Centroid | |
| 2916 RETENTIONTIME: 687.16 | |
| 2917 RETENTIONINDEX: 4132.619048 | |
| 2918 NUM PEAKS: 28 | |
| 2919 105.999073433196 1775283.0 | |
| 2920 160.953991092503 1226737.0 | |
| 2921 177.984755523284 1479527.0 | |
| 2922 180.00042964013 1385258.0 | |
| 2923 180.943758608915 2947399.0 | |
| 2924 180.961381219577 1317069.0 | |
| 2925 195.995454001979 3008113.0 | |
| 2926 196.992752093539 2120075.0 | |
| 2927 197.974508055988 2732236.0 | |
| 2928 198.95441899853 1451189.0 | |
| 2929 212.970014961884 2160212.0 | |
| 2930 213.006147303489 2386663.0 | |
| 2931 214.98560992714 3498027.0 | |
| 2932 220.957069324217 1204344.0 | |
| 2933 222.936453968368 1331807.0 | |
| 2934 229.019119616188 6915685.0 | |
| 2935 230.00074243328 2982993.0 | |
| 2936 236.98832473252 1185682.0 | |
| 2937 240.946899738586 2559944.0 | |
| 2938 253.982966844011 1811236.0 | |
| 2939 269.977845781938 2553313.0 | |
| 2940 270.975426915952 1846637.0 | |
| 2941 270.993770069105 3843846.0 | |
| 2942 297.079403794841 2265634.0 | |
| 2943 298.934550867121 1902191.0 | |
| 2944 328.980928284848 2078425.0 | |
| 2945 330.960641905517 2496978.0 | |
| 2946 372.953096157169 1698848.0 | |
| 2947 | |
| 2948 NAME: C018 | |
| 2949 IONMODE: Negative | |
| 2950 SPECTRUMTYPE: Centroid | |
| 2951 RETENTIONTIME: 687.52 | |
| 2952 RETENTIONINDEX: 4133.690476 | |
| 2953 NUM PEAKS: 50 | |
| 2954 74.7638980336922 1315359.0 | |
| 2955 92.0621253034594 11206795.0 | |
| 2956 96.0041781292944 2402236.0 | |
| 2957 96.9938357952532 2816247.0 | |
| 2958 142.949133200664 1632731.0 | |
| 2959 146.07253965804 5600562.0 | |
| 2960 146.938422598673 3339085.0 | |
| 2961 147.080066384351 3363357.0 | |
| 2962 156.093186007163 2830628.0 | |
| 2963 164.949030139958 6260392.0 | |
| 2964 178.964482148007 15193545.0 | |
| 2965 193.979588455388 3340202.0 | |
| 2966 194.977060323591 1971786.0 | |
| 2967 203.000954298774 1743787.0 | |
| 2968 209.011554808631 115823584.0 | |
| 2969 209.029113642814 19239207.0 | |
| 2970 210.01053536351 13525043.0 | |
| 2971 210.02856105016 2845220.0 | |
| 2972 210.990970491228 26624333.0 | |
| 2973 211.00836812627 11453500.0 | |
| 2974 211.990172506941 3030372.0 | |
| 2975 223.027138632897 5388498.0 | |
| 2976 226.041539764125 55568400.0 | |
| 2977 227.039590062704 30315831.0 | |
| 2978 228.021238834046 8540695.0 | |
| 2979 236.952057886642 1637840.0 | |
| 2980 238.967668016334 4121826.0 | |
| 2981 239.004151623349 3285037.0 | |
| 2982 254.962852894029 7306850.0 | |
| 2983 265.020169474237 42733124.0 | |
| 2984 266.019164029332 8639027.0 | |
| 2985 269.014505230573 2878028.0 | |
| 2986 281.051364215883 177490258.0 | |
| 2987 282.049803555434 38689430.0 | |
| 2988 284.029739945336 7339074.0 | |
| 2989 285.009414657485 21693770.0 | |
| 2990 286.009062250596 5316029.0 | |
| 2991 287.006757898035 4613451.0 | |
| 2992 312.950339368404 2870255.0 | |
| 2993 312.986211377174 2448284.0 | |
| 2994 313.019993142226 1479514.0 | |
| 2995 326.982724315442 4863722.0 | |
| 2996 344.975776862771 10267994.0 | |
| 2997 345.976092174038 3016933.0 | |
| 2998 346.046486912175 1754291.0 | |
| 2999 346.973191534072 1590963.0 | |
| 3000 382.97408022551 1514772.0 | |
| 3001 386.969422084375 2096957.0 | |
| 3002 402.964369782575 1172149.0 | |
| 3003 493.152823320977 2513229.0 | |
| 3004 | |
| 3005 NAME: C012 | |
| 3006 IONMODE: Negative | |
| 3007 SPECTRUMTYPE: Centroid | |
| 3008 RETENTIONTIME: 687.83 | |
| 3009 RETENTIONINDEX: 4134.613095 | |
| 3010 NUM PEAKS: 57 | |
| 3011 78.0419846383593 1742200.0 | |
| 3012 79.0497716096318 1893817.0 | |
| 3013 85.0284186196566 2191757.0 | |
| 3014 121.046741626167 6162741.0 | |
| 3015 142.078087888737 3381352.0 | |
| 3016 192.997735629267 9539743.0 | |
| 3017 195.029110650825 3772846.0 | |
| 3018 205.016711322548 5926636.0 | |
| 3019 207.066696618797 3714385.0 | |
| 3020 209.098935410027 6173585.0 | |
| 3021 213.05754958053 13341991.0 | |
| 3022 219.06802937228 2601724.0 | |
| 3023 253.016653119059 43935840.0 | |
| 3024 269.047850642358 4644691.0 | |
| 3025 271.027137265637 6759639.0 | |
| 3026 281.085992168442 2140320.0 | |
| 3027 284.047997947258 8403825.0 | |
| 3028 311.073606748707 3371803.0 | |
| 3029 313.113777264345 2391990.0 | |
| 3030 325.985953604199 8513850.0 | |
| 3031 327.03525664153 49155384.0 | |
| 3032 328.035343658 13109000.0 | |
| 3033 329.014530869431 3595462.0 | |
| 3034 331.063707530223 2063612.0 | |
| 3035 343.084122931946 3769846.0 | |
| 3036 345.046169172075 8812838.0 | |
| 3037 353.090427317747 2832675.0 | |
| 3038 359.09769204202 9873384.0 | |
| 3039 360.028136457829 10686927.0 | |
| 3040 360.169639740951 3818378.0 | |
| 3041 371.040514349465 1472266.0 | |
| 3042 387.002413998209 12940469.0 | |
| 3043 387.071825807939 15096984.0 | |
| 3044 389.068871345424 1810336.0 | |
| 3045 402.055174276849 12479459.0 | |
| 3046 404.05195192305 1405422.0 | |
| 3047 458.971973456131 1214840.0 | |
| 3048 459.041861218696 1286084.0 | |
| 3049 460.952039584771 4371596.0 | |
| 3050 461.021207128847 2869881.0 | |
| 3051 461.090256355859 17842323.0 | |
| 3052 461.951796665319 1222018.0 | |
| 3053 462.091555156095 6970195.0 | |
| 3054 463.088708091285 2556050.0 | |
| 3055 475.072310244956 13564752.0 | |
| 3056 476.003821454759 1471505.0 | |
| 3057 476.143434019655 13026182.0 | |
| 3058 477.140480798609 4944561.0 | |
| 3059 478.141485242814 1506934.0 | |
| 3060 479.101672410454 3603024.0 | |
| 3061 490.12632015072 18188437.0 | |
| 3062 491.122346777972 10290558.0 | |
| 3063 549.162553092955 24746614.0 | |
| 3064 563.144239233773 12735845.0 | |
| 3065 624.183209223215 7134906.0 | |
| 3066 637.164550513183 3866368.0 | |
| 3067 698.205944560218 1919968.0 | |
| 3068 | |
| 3069 NAME: C020 | |
| 3070 IONMODE: Negative | |
| 3071 SPECTRUMTYPE: Centroid | |
| 3072 RETENTIONTIME: 687.99 | |
| 3073 RETENTIONINDEX: 4135.089286 | |
| 3074 NUM PEAKS: 43 | |
| 3075 109.052235628516 1922885.0 | |
| 3076 111.044058476785 1730416.0 | |
| 3077 133.064909307365 1579533.0 | |
| 3078 137.041722086745 2474039.0 | |
| 3079 194.053642118165 5252308.0 | |
| 3080 212.061782732582 10437319.0 | |
| 3081 267.034768010352 4429084.0 | |
| 3082 267.068824022318 27744081.0 | |
| 3083 268.069192256745 2367920.0 | |
| 3084 310.970568727813 3126083.0 | |
| 3085 311.004219192148 2666091.0 | |
| 3086 325.055731606087 7634729.0 | |
| 3087 327.965549188207 5442532.0 | |
| 3088 328.962716535303 2722019.0 | |
| 3089 339.03821058645 6627839.0 | |
| 3090 341.051986399316 1671451.0 | |
| 3091 342.996634492902 3939816.0 | |
| 3092 345.115297423962 3938049.0 | |
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