Mercurial > repos > recetox > ramclustr
comparison test-data/test1_fill_xcms_1.msp @ 1:15e173c5762c draft
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit 249fdcc40e08fb1aece6d119fcf747eea1c595fb"
| author | recetox |
|---|---|
| date | Thu, 19 Aug 2021 07:17:15 +0000 |
| parents | |
| children |
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| 0:cb0b83b330fd | 1:15e173c5762c |
|---|---|
| 1 NAME:C001 | |
| 2 IONMODE:Negative | |
| 3 SPECTRUMTYPE:Centroid | |
| 4 RETENTIONTIME:38.74 | |
| 5 Num Peaks:57 | |
| 6 216.9205 32607700 | |
| 7 256.8215 31377637 | |
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| 63 | |
| 64 NAME:C002 | |
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| 105 NAME:C003 | |
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| 108 RETENTIONTIME:483.67 | |
| 109 Num Peaks:26 | |
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| 136 | |
| 137 NAME:C004 | |
| 138 IONMODE:Negative | |
| 139 SPECTRUMTYPE:Centroid | |
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| 166 | |
| 167 NAME:C005 | |
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| 218 NAME:C007 | |
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| 220 SPECTRUMTYPE:Centroid | |
| 221 RETENTIONTIME:568.2 | |
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| 238 | |
| 239 NAME:C008 | |
| 240 IONMODE:Negative | |
| 241 SPECTRUMTYPE:Centroid | |
| 242 RETENTIONTIME:429.17 | |
| 243 Num Peaks:15 | |
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| 260 NAME:C009 | |
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| 262 SPECTRUMTYPE:Centroid | |
| 263 RETENTIONTIME:456.73 | |
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| 280 NAME:C010 | |
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| 284 Num Peaks:13 | |
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| 299 NAME:C011 | |
| 300 IONMODE:Negative | |
| 301 SPECTRUMTYPE:Centroid | |
| 302 RETENTIONTIME:465.31 | |
| 303 Num Peaks:13 | |
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| 317 | |
| 318 NAME:C012 | |
| 319 IONMODE:Negative | |
| 320 SPECTRUMTYPE:Centroid | |
| 321 RETENTIONTIME:39.22 | |
| 322 Num Peaks:11 | |
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| 333 154.8822 2030207 | |
| 334 | |
| 335 NAME:C013 | |
| 336 IONMODE:Negative | |
| 337 SPECTRUMTYPE:Centroid | |
| 338 RETENTIONTIME:39.48 | |
| 339 Num Peaks:11 | |
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| 341 249.0624 25609635 | |
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| 351 | |
| 352 NAME:C014 | |
| 353 IONMODE:Negative | |
| 354 SPECTRUMTYPE:Centroid | |
| 355 RETENTIONTIME:39.33 | |
| 356 Num Peaks:11 | |
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| 365 564.5853 3917503 | |
| 366 268.0083 1320856 | |
| 367 632.5996 1288164 | |
| 368 | |
| 369 NAME:C015 | |
| 370 IONMODE:Negative | |
| 371 SPECTRUMTYPE:Centroid | |
| 372 RETENTIONTIME:458.34 | |
| 373 Num Peaks:11 | |
| 374 544.3404 1225750896 | |
| 375 545.3439 374466023 | |
| 376 1063.6731 134466308 | |
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| 383 133.0392 2377532 | |
| 384 592.3319 1860147 | |
| 385 | |
| 386 NAME:C016 | |
| 387 IONMODE:Negative | |
| 388 SPECTRUMTYPE:Centroid | |
| 389 RETENTIONTIME:38.05 | |
| 390 Num Peaks:10 | |
| 391 225.0469 59892950 | |
| 392 152.0216 58787867 | |
| 393 200.0631 54989442 | |
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| 395 154.0796 17471055 | |
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| 398 214.0165 5828884 | |
| 399 128.0168 3493680 | |
| 400 262.1042 1191413 | |
| 401 | |
| 402 NAME:C017 | |
| 403 IONMODE:Negative | |
| 404 SPECTRUMTYPE:Centroid | |
| 405 RETENTIONTIME:39.26 | |
| 406 Num Peaks:10 | |
| 407 135.0046 68491054 | |
| 408 308.8763 7782902 | |
| 409 310.8765 7492963 | |
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| 412 251.1353 4829854 | |
| 413 320.9624 4504376 | |
| 414 236.9895 3334317 | |
| 415 192.9904 3145024 | |
| 416 262.9367 1798075 | |
| 417 | |
| 418 NAME:C018 | |
| 419 IONMODE:Negative | |
| 420 SPECTRUMTYPE:Centroid | |
| 421 RETENTIONTIME:454.48 | |
| 422 Num Peaks:10 | |
| 423 478.2937 332073307 | |
| 424 502.294 203097896 | |
| 425 479.2975 82619606 | |
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| 429 1080.1364 4163189 | |
| 430 460.2793 3911971 | |
| 431 819.9685 3407741 | |
| 432 979.5825 2776558 | |
| 433 | |
| 434 NAME:C019 | |
| 435 IONMODE:Negative | |
| 436 SPECTRUMTYPE:Centroid | |
| 437 RETENTIONTIME:42.78 | |
| 438 Num Peaks:9 | |
| 439 114.9111 32990841 | |
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| 441 164.9322 7431207 | |
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| 445 365.9668 1446420 | |
| 446 505.8763 1329836 | |
| 447 507.8783 648316 | |
| 448 | |
| 449 NAME:C020 | |
| 450 IONMODE:Negative | |
| 451 SPECTRUMTYPE:Centroid | |
| 452 RETENTIONTIME:54.99 | |
| 453 Num Peaks:9 | |
| 454 293.0983 2422772404 | |
| 455 294.1014 257775459 | |
| 456 198.0937 131560403 | |
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| 458 174.0125 36962385 | |
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| 460 638.0996 10689139 | |
| 461 348.021 4803964 | |
| 462 661.0894 2312323 | |
| 463 | |
| 464 NAME:C021 | |
| 465 IONMODE:Negative | |
| 466 SPECTRUMTYPE:Centroid | |
| 467 RETENTIONTIME:38.53 | |
| 468 Num Peaks:9 | |
| 469 156.0426 222394961 | |
| 470 219.0263 57128369 | |
| 471 158.0428 18805186 | |
| 472 214.8414 9188386 | |
| 473 243.0514 5726028 | |
| 474 221.0125 4427671 | |
| 475 476.8048 4253268 | |
| 476 300.917 1014846 | |
| 477 266.0228 865794 | |
| 478 | |
| 479 NAME:C022 | |
| 480 IONMODE:Negative | |
| 481 SPECTRUMTYPE:Centroid | |
| 482 RETENTIONTIME:39.11 | |
| 483 Num Peaks:9 | |
| 484 270.8003 10913935 | |
| 485 446.6714 9101385 | |
| 486 328.7861 5462630 | |
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| 490 640.5143 1982245 | |
| 491 830.3697 1650429 | |
| 492 816.3996 1639206 | |
| 493 | |
| 494 NAME:C023 | |
| 495 IONMODE:Negative | |
| 496 SPECTRUMTYPE:Centroid | |
| 497 RETENTIONTIME:41.74 | |
| 498 Num Peaks:9 | |
| 499 188.0708 86813172 | |
| 500 205.0972 60709701 | |
| 501 232.9318 25933446 | |
| 502 146.0645 18564145 | |
| 503 170.0751 7231551 | |
| 504 286.9372 7044982 | |
| 505 206.1002 7041628 | |
| 506 253.1035 6018088 | |
| 507 355.0172 4540271 | |
| 508 | |
| 509 NAME:C024 | |
| 510 IONMODE:Negative | |
| 511 SPECTRUMTYPE:Centroid | |
| 512 RETENTIONTIME:556.73 | |
| 513 Num Peaks:9 | |
| 514 269.2251 98997424 | |
| 515 270.2293 21011406 | |
| 516 95.0857 4595720 | |
| 517 286.2294 4043920 | |
| 518 255.2054 2246657 | |
| 519 271.2328 1949807 | |
| 520 213.1634 1358632 | |
| 521 201.1645 1071554 | |
| 522 199.1466 1069553 | |
| 523 | |
| 524 NAME:C025 | |
| 525 IONMODE:Negative | |
| 526 SPECTRUMTYPE:Centroid | |
| 527 RETENTIONTIME:480.14 | |
| 528 Num Peaks:9 | |
| 529 480.3242 225142434 | |
| 530 481.3283 57405909 | |
| 531 572.372 31453561 | |
| 532 573.3745 10605576 | |
| 533 975.643 9623856 | |
| 534 339.2894 7507144 | |
| 535 530.3239 6943908 | |
| 536 976.6459 4287929 | |
| 537 462.2982 1796039 | |
| 538 | |
| 539 NAME:C026 | |
| 540 IONMODE:Negative | |
| 541 SPECTRUMTYPE:Centroid | |
| 542 RETENTIONTIME:426.54 | |
| 543 Num Peaks:9 | |
| 544 209.1227 23179929 | |
| 545 368.2797 23024870 | |
| 546 344.2799 20088935 | |
| 547 251.08 18575424 | |
| 548 369.2898 5324942 | |
| 549 345.2809 4025576 | |
| 550 388.2683 3724460 | |
| 551 252.1154 2039708 | |
| 552 447.3136 1897988 | |
| 553 | |
| 554 NAME:C027 | |
| 555 IONMODE:Negative | |
| 556 SPECTRUMTYPE:Centroid | |
| 557 RETENTIONTIME:416.01 | |
| 558 Num Peaks:9 | |
| 559 512.3351 37021229 | |
| 560 342.2643 34920216 | |
| 561 513.3327 8866978 | |
| 562 366.2639 4336343 | |
| 563 386.2863 4324224 | |
| 564 255.1628 4097834 | |
| 565 121.0995 3144992 | |
| 566 198.1856 2059762 | |
| 567 389.2772 2055946 | |
| 568 | |
| 569 NAME:C028 | |
| 570 IONMODE:Negative | |
| 571 SPECTRUMTYPE:Centroid | |
| 572 RETENTIONTIME:49 | |
| 573 Num Peaks:8 | |
| 574 160.0625 82372331 | |
| 575 331.0539 60780528 | |
| 576 332.0574 6460288 | |
| 577 629.1524 6206440 | |
| 578 651.1352 4440552 | |
| 579 660.0826 3422585 | |
| 580 381.9922 2334231 | |
| 581 682.0634 1513098 | |
| 582 | |
| 583 NAME:C029 | |
| 584 IONMODE:Negative | |
| 585 SPECTRUMTYPE:Centroid | |
| 586 RETENTIONTIME:38.86 | |
| 587 Num Peaks:8 | |
| 588 162.1127 308309016 | |
| 589 184.0929 81708077 | |
| 590 163.1147 22045846 | |
| 591 185.0673 10137160 | |
| 592 125.0255 4719310 | |
| 593 496.9328 4556080 | |
| 594 668.7844 2318264 | |
| 595 322.132 1735238 | |
| 596 | |
| 597 NAME:C030 | |
| 598 IONMODE:Negative | |
| 599 SPECTRUMTYPE:Centroid | |
| 600 RETENTIONTIME:40.08 | |
| 601 Num Peaks:8 | |
| 602 285.099 18100021 | |
| 603 98.0603 11371093 | |
| 604 348.9972 7635486 | |
| 605 161.0222 5114176 | |
| 606 354.0305 3727355 | |
| 607 570.8778 3644920 | |
| 608 164.0967 2446073 | |
| 609 588.8371 1855891 | |
| 610 | |
| 611 NAME:C031 | |
| 612 IONMODE:Negative | |
| 613 SPECTRUMTYPE:Centroid | |
| 614 RETENTIONTIME:494.99 | |
| 615 Num Peaks:8 | |
| 616 524.3373 4406739555 | |
| 617 510.3567 277170353 | |
| 618 511.3593 74813283 | |
| 619 512.41 43155571 | |
| 620 532.3395 6128954 | |
| 621 543.8175 3281220 | |
| 622 533.3443 1713625 | |
| 623 253.2492 1397116 | |
| 624 | |
| 625 NAME:C032 | |
| 626 IONMODE:Negative | |
| 627 SPECTRUMTYPE:Centroid | |
| 628 RETENTIONTIME:410.48 | |
| 629 Num Peaks:8 | |
| 630 414.3008 67174004 | |
| 631 432.311 48052180 | |
| 632 450.3216 33099069 | |
| 633 415.3041 18837411 | |
| 634 433.3164 14051812 | |
| 635 451.325 9279876 | |
| 636 504.2415 3861767 | |
| 637 434.3163 2103190 | |
| 638 | |
| 639 NAME:C033 | |
| 640 IONMODE:Negative | |
| 641 SPECTRUMTYPE:Centroid | |
| 642 RETENTIONTIME:40.16 | |
| 643 Num Peaks:7 | |
| 644 120.0803 58687086 | |
| 645 86.0965 55329962 | |
| 646 180.0807 13815076 | |
| 647 103.0535 11371875 | |
| 648 202.0618 5186609 | |
| 649 121.0765 5168117 | |
| 650 87.0961 3259767 | |
| 651 | |
| 652 NAME:C034 | |
| 653 IONMODE:Negative | |
| 654 SPECTRUMTYPE:Centroid | |
| 655 RETENTIONTIME:39.56 | |
| 656 Num Peaks:7 | |
| 657 166.0846 178192881 | |
| 658 182.0634 130373801 | |
| 659 116.0619 120691918 | |
| 660 144.0965 108611017 | |
| 661 157.0492 41677273 | |
| 662 167.0832 14989742 | |
| 663 145.0982 8354818 | |
| 664 | |
| 665 NAME:C035 | |
| 666 IONMODE:Negative | |
| 667 SPECTRUMTYPE:Centroid | |
| 668 RETENTIONTIME:37.63 | |
| 669 Num Peaks:7 | |
| 670 112.9034 85545886 | |
| 671 222.8686 13769163 | |
| 672 238.8437 5325572 | |
| 673 280.8314 5214305 | |
| 674 240.84 3365303 | |
| 675 296.8089 2240176 | |
| 676 298.8014 2106450 | |
| 677 | |
| 678 NAME:C036 | |
| 679 IONMODE:Negative | |
| 680 SPECTRUMTYPE:Centroid | |
| 681 RETENTIONTIME:37.64 | |
| 682 Num Peaks:7 | |
| 683 408.755 8487354 | |
| 684 398.7404 8038976 | |
| 685 414.7157 5404259 | |
| 686 472.6761 3956681 | |
| 687 474.6969 3506445 | |
| 688 464.7339 2837872 | |
| 689 532.6307 2766988 | |
| 690 | |
| 691 NAME:C037 | |
| 692 IONMODE:Negative | |
| 693 SPECTRUMTYPE:Centroid | |
| 694 RETENTIONTIME:38.66 | |
| 695 Num Peaks:7 | |
| 696 191.0391 31256068 | |
| 697 318.9532 6922130 | |
| 698 508.7699 6827792 | |
| 699 364.9531 3274488 | |
| 700 124.0559 1972246 | |
| 701 168.0896 1964344 | |
| 702 244.0998 1402698 | |
| 703 | |
| 704 NAME:C038 | |
| 705 IONMODE:Negative | |
| 706 SPECTRUMTYPE:Centroid | |
| 707 RETENTIONTIME:17.56 | |
| 708 Num Peaks:7 | |
| 709 113.9639 884114874 | |
| 710 141.9589 178232538 | |
| 711 158.9616 128816272 | |
| 712 130.9667 51395622 | |
| 713 117.9597 13415776 | |
| 714 89.94 9040424 | |
| 715 299.9124 1880980 | |
| 716 | |
| 717 NAME:C039 | |
| 718 IONMODE:Negative | |
| 719 SPECTRUMTYPE:Centroid | |
| 720 RETENTIONTIME:568.17 | |
| 721 Num Peaks:7 | |
| 722 313.2743 49761422 | |
| 723 331.284 25330864 | |
| 724 353.2668 14412912 | |
| 725 314.2779 10250020 | |
| 726 332.288 5165351 | |
| 727 109.0936 3367194 | |
| 728 378.7574 2750830 | |
| 729 | |
| 730 NAME:C040 | |
| 731 IONMODE:Negative | |
| 732 SPECTRUMTYPE:Centroid | |
| 733 RETENTIONTIME:387.74 | |
| 734 Num Peaks:7 | |
| 735 181.0835 84943549 | |
| 736 223.1099 46655050 | |
| 737 448.3062 12015194 | |
| 738 211.1705 9133246 | |
| 739 224.1132 5667427 | |
| 740 163.086 4875483 | |
| 741 626.3529 4834637 | |
| 742 | |
| 743 NAME:C041 | |
| 744 IONMODE:Negative | |
| 745 SPECTRUMTYPE:Centroid | |
| 746 RETENTIONTIME:453.17 | |
| 747 Num Peaks:7 | |
| 748 568.34 320070712 | |
| 749 526.294 130284635 | |
| 750 569.3431 103890431 | |
| 751 527.2969 38181651 | |
| 752 590.322 5188496 | |
| 753 493.3513 4170416 | |
| 754 538.2924 3722053 | |
| 755 | |
| 756 NAME:C042 | |
| 757 IONMODE:Negative | |
| 758 SPECTRUMTYPE:Centroid | |
| 759 RETENTIONTIME:494.9 | |
| 760 Num Peaks:7 | |
| 761 548.3718 57710648 | |
| 762 506.3605 33858286 | |
| 763 464.314 19745728 | |
| 764 281.652 16902444 | |
| 765 507.3635 10018492 | |
| 766 421.2329 9340554 | |
| 767 465.3171 4874193 | |
| 768 | |
| 769 NAME:C043 | |
| 770 IONMODE:Negative | |
| 771 SPECTRUMTYPE:Centroid | |
| 772 RETENTIONTIME:496.93 | |
| 773 Num Peaks:7 | |
| 774 149.0237 1046269875 | |
| 775 121.0291 104312995 | |
| 776 303.1553 88839098 | |
| 777 327.2198 14111373 | |
| 778 91.0544 7737151 | |
| 779 583.4371 5272741 | |
| 780 371.2241 2045984 | |
| 781 | |
| 782 NAME:C044 | |
| 783 IONMODE:Negative | |
| 784 SPECTRUMTYPE:Centroid | |
| 785 RETENTIONTIME:439.39 | |
| 786 Num Peaks:7 | |
| 787 415.212 83379727 | |
| 788 437.1949 23384573 | |
| 789 416.2152 22144229 | |
| 790 514.3191 7670834 | |
| 791 453.1967 6996965 | |
| 792 438.1974 6181203 | |
| 793 432.2384 4602293 | |
| 794 | |
| 795 NAME:C045 | |
| 796 IONMODE:Negative | |
| 797 SPECTRUMTYPE:Centroid | |
| 798 RETENTIONTIME:38.72 | |
| 799 Num Peaks:6 | |
| 800 204.1232 104594587 | |
| 801 424.7473 5143002 | |
| 802 220.0361 3822478 | |
| 803 482.7147 3819577 | |
| 804 526.6926 3098115 | |
| 805 85.0374 922414 | |
| 806 | |
| 807 NAME:C046 | |
| 808 IONMODE:Negative | |
| 809 SPECTRUMTYPE:Centroid | |
| 810 RETENTIONTIME:522.9 | |
| 811 Num Peaks:6 | |
| 812 680.4293 23371624 | |
| 813 1204.2998 12180905 | |
| 814 681.433 10790523 | |
| 815 942.6132 7409370 | |
| 816 693.4366 6450701 | |
| 817 694.4422 2967375 | |
| 818 | |
| 819 NAME:C047 | |
| 820 IONMODE:Negative | |
| 821 SPECTRUMTYPE:Centroid | |
| 822 RETENTIONTIME:568.96 | |
| 823 Num Peaks:6 | |
| 824 523.885 65066801 | |
| 825 688.5201 14341797 | |
| 826 524.8874 7166738 | |
| 827 689.5235 6478555 | |
| 828 522.8873 4794972 | |
| 829 715.4799 3672190 | |
| 830 | |
| 831 NAME:C048 | |
| 832 IONMODE:Negative | |
| 833 SPECTRUMTYPE:Centroid | |
| 834 RETENTIONTIME:570.42 | |
| 835 Num Peaks:6 | |
| 836 596.8946 15091259 | |
| 837 597.9015 7000919 | |
| 838 762.0311 5271486 | |
| 839 609.9019 3635412 | |
| 840 598.909 2264745 | |
| 841 775.5467 2217744 | |
| 842 | |
| 843 NAME:C049 | |
| 844 IONMODE:Negative | |
| 845 SPECTRUMTYPE:Centroid | |
| 846 RETENTIONTIME:548.99 | |
| 847 Num Peaks:6 | |
| 848 637.3061 40025984 | |
| 849 638.3092 14899454 | |
| 850 654.3336 5820376 | |
| 851 659.2881 4514707 | |
| 852 639.3125 2997621 | |
| 853 655.3356 2193767 | |
| 854 | |
| 855 NAME:C050 | |
| 856 IONMODE:Negative | |
| 857 SPECTRUMTYPE:Centroid | |
| 858 RETENTIONTIME:562.13 | |
| 859 Num Peaks:6 | |
| 860 335.167 30837870 | |
| 861 376.1936 9206685 | |
| 862 336.1723 5451925 | |
| 863 281.2478 1427835 | |
| 864 665.4442 1293707 | |
| 865 339.1624 1173554 | |
| 866 | |
| 867 NAME:C051 | |
| 868 IONMODE:Negative | |
| 869 SPECTRUMTYPE:Centroid | |
| 870 RETENTIONTIME:456.67 | |
| 871 Num Peaks:6 | |
| 872 299.6334 26082055 | |
| 873 566.3211 20198673 | |
| 874 1090.6457 6272992 | |
| 875 567.3244 5871222 | |
| 876 291.6451 4435338 | |
| 877 1085.656 2558054 | |
| 878 | |
| 879 NAME:C052 | |
| 880 IONMODE:Negative | |
| 881 SPECTRUMTYPE:Centroid | |
| 882 RETENTIONTIME:478.9 | |
| 883 Num Peaks:6 | |
| 884 536.308 48824542 | |
| 885 353.0562 14621952 | |
| 886 537.3106 11482454 | |
| 887 256.0036 7683803 | |
| 888 297.1488 7327555 | |
| 889 127.2741 3285476 | |
| 890 | |
| 891 NAME:C053 | |
| 892 IONMODE:Negative | |
| 893 SPECTRUMTYPE:Centroid | |
| 894 RETENTIONTIME:500.02 | |
| 895 Num Peaks:6 | |
| 896 468.3899 33971049 | |
| 897 609.34 9554282 | |
| 898 604.3847 8198417 | |
| 899 605.413 7101524 | |
| 900 610.3361 3888670 | |
| 901 606.4209 1836398 | |
| 902 | |
| 903 NAME:C054 | |
| 904 IONMODE:Negative | |
| 905 SPECTRUMTYPE:Centroid | |
| 906 RETENTIONTIME:491.71 | |
| 907 Num Peaks:6 | |
| 908 399.2528 20584280 | |
| 909 395.2774 12115107 | |
| 910 313.1321 10599434 | |
| 911 163.0757 4155052 | |
| 912 335.1258 3732806 | |
| 913 365.1362 2964850 | |
| 914 | |
| 915 NAME:C055 | |
| 916 IONMODE:Negative | |
| 917 SPECTRUMTYPE:Centroid | |
| 918 RETENTIONTIME:38.64 | |
| 919 Num Peaks:5 | |
| 920 150.9966 13505497 | |
| 921 280.0989 11446380 | |
| 922 148.083 6444124 | |
| 923 258.0099 3216933 | |
| 924 278.8998 1588478 | |
| 925 | |
| 926 NAME:C056 | |
| 927 IONMODE:Negative | |
| 928 SPECTRUMTYPE:Centroid | |
| 929 RETENTIONTIME:50.55 | |
| 930 Num Peaks:5 | |
| 931 315.08 444337895 | |
| 932 316.0837 48279316 | |
| 933 247.0975 42192032 | |
| 934 235.0874 30725201 | |
| 935 143.0804 9023795 | |
| 936 | |
| 937 NAME:C057 | |
| 938 IONMODE:Negative | |
| 939 SPECTRUMTYPE:Centroid | |
| 940 RETENTIONTIME:39.38 | |
| 941 Num Peaks:5 | |
| 942 138.05 11589913 | |
| 943 274.8004 7399559 | |
| 944 386.7156 5744862 | |
| 945 504.6304 5051649 | |
| 946 584.623 2769986 | |
| 947 | |
| 948 NAME:C058 | |
| 949 IONMODE:Negative | |
| 950 SPECTRUMTYPE:Centroid | |
| 951 RETENTIONTIME:37.83 | |
| 952 Num Peaks:5 | |
| 953 136.0489 91083916 | |
| 954 400.7495 6533309 | |
| 955 410.7787 4155900 | |
| 956 542.6812 3135865 | |
| 957 528.7721 2343823 | |
| 958 | |
| 959 NAME:C059 | |
| 960 IONMODE:Negative | |
| 961 SPECTRUMTYPE:Centroid | |
| 962 RETENTIONTIME:38.84 | |
| 963 Num Peaks:5 | |
| 964 209.0731 140532642 | |
| 965 490.8177 16128577 | |
| 966 208.0701 7862862 | |
| 967 192.0572 5685906 | |
| 968 373.9241 1194415 | |
| 969 | |
| 970 NAME:C060 | |
| 971 IONMODE:Negative | |
| 972 SPECTRUMTYPE:Centroid | |
| 973 RETENTIONTIME:521.59 | |
| 974 Num Peaks:5 | |
| 975 668.4305 8028504 | |
| 976 1192.2996 4150468 | |
| 977 669.4357 4028528 | |
| 978 930.1118 2367648 | |
| 979 931.117 1841159 | |
| 980 | |
| 981 NAME:C061 | |
| 982 IONMODE:Negative | |
| 983 SPECTRUMTYPE:Centroid | |
| 984 RETENTIONTIME:573.21 | |
| 985 Num Peaks:5 | |
| 986 265.2529 9899139 | |
| 987 371.2519 8233366 | |
| 988 226.6269 3415692 | |
| 989 266.2547 1785474 | |
| 990 701.5302 1157410 | |
| 991 | |
| 992 NAME:C062 | |
| 993 IONMODE:Negative | |
| 994 SPECTRUMTYPE:Centroid | |
| 995 RETENTIONTIME:404.94 | |
| 996 Num Peaks:5 | |
| 997 353.2304 32739905 | |
| 998 277.2131 11416355 | |
| 999 296.2306 10660434 | |
| 1000 373.2739 9818194 | |
| 1001 272.2095 7792653 | |
| 1002 | |
| 1003 NAME:C063 | |
| 1004 IONMODE:Negative | |
| 1005 SPECTRUMTYPE:Centroid | |
| 1006 RETENTIONTIME:388.92 | |
| 1007 Num Peaks:5 | |
| 1008 585.271 56140774 | |
| 1009 586.2757 19804349 | |
| 1010 601.2667 3868276 | |
| 1011 587.2789 3756282 | |
| 1012 292.6357 2008767 | |
| 1013 | |
| 1014 NAME:C064 | |
| 1015 IONMODE:Negative | |
| 1016 SPECTRUMTYPE:Centroid | |
| 1017 RETENTIONTIME:477.39 | |
| 1018 Num Peaks:5 | |
| 1019 518.3223 174628688 | |
| 1020 519.326 47361590 | |
| 1021 438.2983 22072874 | |
| 1022 330.04 9899883 | |
| 1023 439.3032 4759535 | |
| 1024 | |
| 1025 NAME:C065 | |
| 1026 IONMODE:Negative | |
| 1027 SPECTRUMTYPE:Centroid | |
| 1028 RETENTIONTIME:484.01 | |
| 1029 Num Peaks:5 | |
| 1030 240.0999 57718485 | |
| 1031 679.4209 6413969 | |
| 1032 1201.2745 3920305 | |
| 1033 1188.7713 3552262 | |
| 1034 1057.1551 3001955 | |
| 1035 | |
| 1036 NAME:C066 | |
| 1037 IONMODE:Negative | |
| 1038 SPECTRUMTYPE:Centroid | |
| 1039 RETENTIONTIME:477.61 | |
| 1040 Num Peaks:5 | |
| 1041 508.3589 85631225 | |
| 1042 509.3621 29637747 | |
| 1043 1031.6491 17237588 | |
| 1044 1032.6524 9264007 | |
| 1045 769.9668 2034350 | |
| 1046 | |
| 1047 NAME:C067 | |
| 1048 IONMODE:Negative | |
| 1049 SPECTRUMTYPE:Centroid | |
| 1050 RETENTIONTIME:496.87 | |
| 1051 Num Peaks:5 | |
| 1052 556.4425 28755077 | |
| 1053 600.4695 19352534 | |
| 1054 644.4952 11254491 | |
| 1055 557.445 8575104 | |
| 1056 601.4722 6487708 | |
| 1057 | |
| 1058 NAME:C068 | |
| 1059 IONMODE:Negative | |
| 1060 SPECTRUMTYPE:Centroid | |
| 1061 RETENTIONTIME:446.34 | |
| 1062 Num Peaks:5 | |
| 1063 357.2789 114727535 | |
| 1064 312.1598 48528731 | |
| 1065 358.2846 32919178 | |
| 1066 313.238 12723416 | |
| 1067 359.2915 4641654 | |
| 1068 | |
| 1069 NAME:C069 | |
| 1070 IONMODE:Negative | |
| 1071 SPECTRUMTYPE:Centroid | |
| 1072 RETENTIONTIME:431.04 | |
| 1073 Num Peaks:5 | |
| 1074 327.0085 42852661 | |
| 1075 329.0054 41634508 | |
| 1076 331.0028 13141699 | |
| 1077 252.9981 5112473 | |
| 1078 328.0117 4011270 | |
| 1079 | |
| 1080 NAME:C070 | |
| 1081 IONMODE:Negative | |
| 1082 SPECTRUMTYPE:Centroid | |
| 1083 RETENTIONTIME:436.01 | |
| 1084 Num Peaks:5 | |
| 1085 603.2936 12822464 | |
| 1086 621.3034 7105990 | |
| 1087 597.3036 6280556 | |
| 1088 604.2967 4096514 | |
| 1089 622.3061 2351379 | |
| 1090 | |
| 1091 NAME:C071 | |
| 1092 IONMODE:Negative | |
| 1093 SPECTRUMTYPE:Centroid | |
| 1094 RETENTIONTIME:428.33 | |
| 1095 Num Peaks:5 | |
| 1096 301.2166 18169090 | |
| 1097 325.2163 7069382 | |
| 1098 343.2266 2908718 | |
| 1099 172.1645 1320296 | |
| 1100 205.1767 805534 | |
| 1101 | |
| 1102 NAME:C072 | |
| 1103 IONMODE:Negative | |
| 1104 SPECTRUMTYPE:Centroid | |
| 1105 RETENTIONTIME:404.46 | |
| 1106 Num Peaks:5 | |
| 1107 352.2253 64611107 | |
| 1108 300.2174 12961057 | |
| 1109 341.2118 3403529 | |
| 1110 440.2781 3231404 | |
| 1111 318.0913 2035771 | |
| 1112 | |
| 1113 NAME:C073 | |
| 1114 IONMODE:Negative | |
| 1115 SPECTRUMTYPE:Centroid | |
| 1116 RETENTIONTIME:39.45 | |
| 1117 Num Peaks:4 | |
| 1118 132.0911 149213134 | |
| 1119 105.1079 25643451 | |
| 1120 133.093 9606398 | |
| 1121 106.0882 1008121 | |
| 1122 | |
| 1123 NAME:C074 | |
| 1124 IONMODE:Negative | |
| 1125 SPECTRUMTYPE:Centroid | |
| 1126 RETENTIONTIME:48.99 | |
| 1127 Num Peaks:4 | |
| 1128 367.9888 19794460 | |
| 1129 368.9907 10577331 | |
| 1130 324.0009 6981928 | |
| 1131 383.9615 6271699 | |
| 1132 | |
| 1133 NAME:C075 | |
| 1134 IONMODE:Negative | |
| 1135 SPECTRUMTYPE:Centroid | |
| 1136 RETENTIONTIME:38.61 | |
| 1137 Num Peaks:4 | |
| 1138 231.0565 7541254 | |
| 1139 395.1564 6383328 | |
| 1140 377.132 4900119 | |
| 1141 107.0073 3031654 | |
| 1142 | |
| 1143 NAME:C076 | |
| 1144 IONMODE:Negative | |
| 1145 SPECTRUMTYPE:Centroid | |
| 1146 RETENTIONTIME:55.64 | |
| 1147 Num Peaks:4 | |
| 1148 172.9567 33953504 | |
| 1149 133.927 12290571 | |
| 1150 92.9005 5352672 | |
| 1151 108.914 2618921 | |
| 1152 | |
| 1153 NAME:C077 | |
| 1154 IONMODE:Negative | |
| 1155 SPECTRUMTYPE:Centroid | |
| 1156 RETENTIONTIME:568.29 | |
| 1157 Num Peaks:4 | |
| 1158 583.8869 36863018 | |
| 1159 749.0231 12396899 | |
| 1160 584.891 12016606 | |
| 1161 750.0278 7401510 | |
| 1162 | |
| 1163 NAME:C078 | |
| 1164 IONMODE:Negative | |
| 1165 SPECTRUMTYPE:Centroid | |
| 1166 RETENTIONTIME:398.62 | |
| 1167 Num Peaks:4 | |
| 1168 316.248 46844363 | |
| 1169 340.2484 7340552 | |
| 1170 360.2746 2404874 | |
| 1171 384.2747 2390732 | |
| 1172 | |
| 1173 NAME:C079 | |
| 1174 IONMODE:Negative | |
| 1175 SPECTRUMTYPE:Centroid | |
| 1176 RETENTIONTIME:385.1 | |
| 1177 Num Peaks:4 | |
| 1178 314.2328 55972011 | |
| 1179 315.2342 9937448 | |
| 1180 261.1103 8569525 | |
| 1181 338.2334 3234158 | |
| 1182 | |
| 1183 NAME:C080 | |
| 1184 IONMODE:Negative | |
| 1185 SPECTRUMTYPE:Centroid | |
| 1186 RETENTIONTIME:410.4 | |
| 1187 Num Peaks:4 | |
| 1188 225.1924 28100176 | |
| 1189 226.1948 3835768 | |
| 1190 647.2353 2107218 | |
| 1191 649.2515 1886834 | |
| 1192 | |
| 1193 NAME:C081 | |
| 1194 IONMODE:Negative | |
| 1195 SPECTRUMTYPE:Centroid | |
| 1196 RETENTIONTIME:367.91 | |
| 1197 Num Peaks:4 | |
| 1198 271.2061 11931733 | |
| 1199 505.1464 7616256 | |
| 1200 253.1952 3853260 | |
| 1201 283.2425 2898656 | |
| 1202 | |
| 1203 NAME:C082 | |
| 1204 IONMODE:Negative | |
| 1205 SPECTRUMTYPE:Centroid | |
| 1206 RETENTIONTIME:379.79 | |
| 1207 Num Peaks:4 | |
| 1208 466.3171 7929750 | |
| 1209 430.2953 5331329 | |
| 1210 412.2849 4835668 | |
| 1211 467.3198 2167391 | |
| 1212 | |
| 1213 NAME:C083 | |
| 1214 IONMODE:Negative | |
| 1215 SPECTRUMTYPE:Centroid | |
| 1216 RETENTIONTIME:469.39 | |
| 1217 Num Peaks:4 | |
| 1218 1015.672 36276276 | |
| 1219 1016.676 19226871 | |
| 1220 535.3019 10075790 | |
| 1221 207.1969 3373287 | |
| 1222 | |
| 1223 NAME:C084 | |
| 1224 IONMODE:Negative | |
| 1225 SPECTRUMTYPE:Centroid | |
| 1226 RETENTIONTIME:502.62 | |
| 1227 Num Peaks:4 | |
| 1228 473.3452 10623724 | |
| 1229 517.3716 8926693 | |
| 1230 458.3479 6136032 | |
| 1231 590.4116 3279579 | |
| 1232 | |
| 1233 NAME:C085 | |
| 1234 IONMODE:Negative | |
| 1235 SPECTRUMTYPE:Centroid | |
| 1236 RETENTIONTIME:505.7 | |
| 1237 Num Peaks:4 | |
| 1238 426.3579 107580438 | |
| 1239 400.339 54213917 | |
| 1240 427.3613 29338788 | |
| 1241 401.3452 13221351 | |
| 1242 | |
| 1243 NAME:C086 | |
| 1244 IONMODE:Negative | |
| 1245 SPECTRUMTYPE:Centroid | |
| 1246 RETENTIONTIME:440.16 | |
| 1247 Num Peaks:4 | |
| 1248 284.1286 13622785 | |
| 1249 230.2479 7797320 | |
| 1250 417.3195 4847876 | |
| 1251 214.2533 1493815 | |
| 1252 | |
| 1253 NAME:C087 | |
| 1254 IONMODE:Negative | |
| 1255 SPECTRUMTYPE:Centroid | |
| 1256 RETENTIONTIME:437.62 | |
| 1257 Num Peaks:4 | |
| 1258 476.2963 13371322 | |
| 1259 394.2904 10535151 | |
| 1260 471.7966 5456746 | |
| 1261 540.3676 4228098 | |
| 1262 | |
| 1263 NAME:C088 | |
| 1264 IONMODE:Negative | |
| 1265 SPECTRUMTYPE:Centroid | |
| 1266 RETENTIONTIME:430.41 | |
| 1267 Num Peaks:4 | |
| 1268 348.9906 5939980 | |
| 1269 350.9873 5719912 | |
| 1270 426.1135 590428 | |
| 1271 428.1109 573856 | |
| 1272 | |
| 1273 NAME:C089 | |
| 1274 IONMODE:Negative | |
| 1275 SPECTRUMTYPE:Centroid | |
| 1276 RETENTIONTIME:407.21 | |
| 1277 Num Peaks:4 | |
| 1278 158.1543 12609020 | |
| 1279 374.2762 3731741 | |
| 1280 391.209 1174675 | |
| 1281 159.1576 1084056 | |
| 1282 | |
| 1283 NAME:C090 | |
| 1284 IONMODE:Negative | |
| 1285 SPECTRUMTYPE:Centroid | |
| 1286 RETENTIONTIME:38.56 | |
| 1287 Num Peaks:3 | |
| 1288 104.1071 417600412 | |
| 1289 98.919 34309379 | |
| 1290 137.0709 19389252 | |
| 1291 | |
| 1292 NAME:C091 | |
| 1293 IONMODE:Negative | |
| 1294 SPECTRUMTYPE:Centroid | |
| 1295 RETENTIONTIME:41.11 | |
| 1296 Num Peaks:3 | |
| 1297 94.0648 29912950 | |
| 1298 110.0706 3533397 | |
| 1299 96.0453 2810684 | |
| 1300 | |
| 1301 NAME:C092 | |
| 1302 IONMODE:Negative | |
| 1303 SPECTRUMTYPE:Centroid | |
| 1304 RETENTIONTIME:47.76 | |
| 1305 Num Peaks:3 | |
| 1306 195.0878 229226763 | |
| 1307 181.0711 22419168 | |
| 1308 196.0894 20952137 | |
| 1309 | |
| 1310 NAME:C093 | |
| 1311 IONMODE:Negative | |
| 1312 SPECTRUMTYPE:Centroid | |
| 1313 RETENTIONTIME:43.24 | |
| 1314 Num Peaks:3 | |
| 1315 286.2015 11316338 | |
| 1316 153.0676 6096061 | |
| 1317 304.2116 3065540 | |
| 1318 | |
| 1319 NAME:C094 | |
| 1320 IONMODE:Negative | |
| 1321 SPECTRUMTYPE:Centroid | |
| 1322 RETENTIONTIME:59.41 | |
| 1323 Num Peaks:3 | |
| 1324 346.0096 208562691 | |
| 1325 302.02 42982160 | |
| 1326 344.0145 12088963 | |
| 1327 | |
| 1328 NAME:C095 | |
| 1329 IONMODE:Negative | |
| 1330 SPECTRUMTYPE:Centroid | |
| 1331 RETENTIONTIME:17.88 | |
| 1332 Num Peaks:3 | |
| 1333 287.8894 13522201 | |
| 1334 246.8615 7541207 | |
| 1335 305.9005 3724287 | |
| 1336 | |
| 1337 NAME:C096 | |
| 1338 IONMODE:Negative | |
| 1339 SPECTRUMTYPE:Centroid | |
| 1340 RETENTIONTIME:18.25 | |
| 1341 Num Peaks:3 | |
| 1342 241.8884 9750879 | |
| 1343 259.8949 3972734 | |
| 1344 304.8923 2897534 | |
| 1345 | |
| 1346 NAME:C097 | |
| 1347 IONMODE:Negative | |
| 1348 SPECTRUMTYPE:Centroid | |
| 1349 RETENTIONTIME:17.2 | |
| 1350 Num Peaks:3 | |
| 1351 111.9685 52093481 | |
| 1352 294.8639 3662077 | |
| 1353 88.9319 1738316 | |
| 1354 | |
| 1355 NAME:C098 | |
| 1356 IONMODE:Negative | |
| 1357 SPECTRUMTYPE:Centroid | |
| 1358 RETENTIONTIME:520.97 | |
| 1359 Num Peaks:3 | |
| 1360 320.168 7908369 | |
| 1361 314.0269 3344905 | |
| 1362 321.1683 2715496 | |
| 1363 | |
| 1364 NAME:C099 | |
| 1365 IONMODE:Negative | |
| 1366 SPECTRUMTYPE:Centroid | |
| 1367 RETENTIONTIME:513.8 | |
| 1368 Num Peaks:3 | |
| 1369 228.2326 6233400 | |
| 1370 268.2658 2396656 | |
| 1371 220.1175 1361371 | |
| 1372 | |
| 1373 NAME:C100 | |
| 1374 IONMODE:Negative | |
| 1375 SPECTRUMTYPE:Centroid | |
| 1376 RETENTIONTIME:589.95 | |
| 1377 Num Peaks:3 | |
| 1378 810.6019 170332070 | |
| 1379 732.5543 29332289 | |
| 1380 733.5576 12786143 | |
| 1381 | |
| 1382 NAME:C101 | |
| 1383 IONMODE:Negative | |
| 1384 SPECTRUMTYPE:Centroid | |
| 1385 RETENTIONTIME:596.5 | |
| 1386 Num Peaks:3 | |
| 1387 378.2092 6124105 | |
| 1388 663.4541 1495638 | |
| 1389 325.2922 966346 | |
| 1390 | |
| 1391 NAME:C102 | |
| 1392 IONMODE:Negative | |
| 1393 SPECTRUMTYPE:Centroid | |
| 1394 RETENTIONTIME:568.65 | |
| 1395 Num Peaks:3 | |
| 1396 235.1326 4646021 | |
| 1397 236.1305 1698666 | |
| 1398 190.0013 1371611 | |
| 1399 | |
| 1400 NAME:C103 | |
| 1401 IONMODE:Negative | |
| 1402 SPECTRUMTYPE:Centroid | |
| 1403 RETENTIONTIME:535.76 | |
| 1404 Num Peaks:3 | |
| 1405 263.2373 9502360 | |
| 1406 614.4833 2200287 | |
| 1407 658.51 2078188 | |
| 1408 | |
| 1409 NAME:C104 | |
| 1410 IONMODE:Negative | |
| 1411 SPECTRUMTYPE:Centroid | |
| 1412 RETENTIONTIME:531.01 | |
| 1413 Num Peaks:3 | |
| 1414 466.33 13287998 | |
| 1415 467.3202 3787115 | |
| 1416 237.22 1561112 | |
| 1417 | |
| 1418 NAME:C105 | |
| 1419 IONMODE:Negative | |
| 1420 SPECTRUMTYPE:Centroid | |
| 1421 RETENTIONTIME:351.57 | |
| 1422 Num Peaks:3 | |
| 1423 363.2171 20574377 | |
| 1424 364.2205 4609697 | |
| 1425 361.2015 3929265 | |
| 1426 | |
| 1427 NAME:C106 | |
| 1428 IONMODE:Negative | |
| 1429 SPECTRUMTYPE:Centroid | |
| 1430 RETENTIONTIME:358.55 | |
| 1431 Num Peaks:3 | |
| 1432 288.2172 21440274 | |
| 1433 311.2052 7425805 | |
| 1434 332.2433 6088330 | |
| 1435 | |
| 1436 NAME:C107 | |
| 1437 IONMODE:Negative | |
| 1438 SPECTRUMTYPE:Centroid | |
| 1439 RETENTIONTIME:402.91 | |
| 1440 Num Peaks:3 | |
| 1441 583.2564 11666865 | |
| 1442 633.2562 5502961 | |
| 1443 584.2607 4806507 | |
| 1444 | |
| 1445 NAME:C108 | |
| 1446 IONMODE:Negative | |
| 1447 SPECTRUMTYPE:Centroid | |
| 1448 RETENTIONTIME:388.14 | |
| 1449 Num Peaks:3 | |
| 1450 274.2123 89701347 | |
| 1451 416.3167 18882679 | |
| 1452 284.9615 3063470 | |
| 1453 | |
| 1454 NAME:C109 | |
| 1455 IONMODE:Negative | |
| 1456 SPECTRUMTYPE:Centroid | |
| 1457 RETENTIONTIME:449.77 | |
| 1458 Num Peaks:3 | |
| 1459 266.6214 6852794 | |
| 1460 361.2739 5667417 | |
| 1461 489.1806 1695863 | |
| 1462 | |
| 1463 NAME:C110 | |
| 1464 IONMODE:Negative | |
| 1465 SPECTRUMTYPE:Centroid | |
| 1466 RETENTIONTIME:469.09 | |
| 1467 Num Peaks:3 | |
| 1468 454.2933 89940088 | |
| 1469 455.2967 19108220 | |
| 1470 436.2823 1402683 | |
| 1471 | |
| 1472 NAME:C111 | |
| 1473 IONMODE:Negative | |
| 1474 SPECTRUMTYPE:Centroid | |
| 1475 RETENTIONTIME:475.44 | |
| 1476 Num Peaks:3 | |
| 1477 515.3077 11336664 | |
| 1478 596.2657 6107659 | |
| 1479 599.4392 1882543 | |
| 1480 | |
| 1481 NAME:C112 | |
| 1482 IONMODE:Negative | |
| 1483 SPECTRUMTYPE:Centroid | |
| 1484 RETENTIONTIME:480.9 | |
| 1485 Num Peaks:3 | |
| 1486 424.3453 65681466 | |
| 1487 425.3459 16618174 | |
| 1488 448.3429 4650811 | |
| 1489 | |
| 1490 NAME:C113 | |
| 1491 IONMODE:Negative | |
| 1492 SPECTRUMTYPE:Centroid | |
| 1493 RETENTIONTIME:507.69 | |
| 1494 Num Peaks:3 | |
| 1495 283.2017 5499746 | |
| 1496 261.2422 1470485 | |
| 1497 369.1252 1397276 | |
| 1498 | |
| 1499 NAME:C114 | |
| 1500 IONMODE:Negative | |
| 1501 SPECTRUMTYPE:Centroid | |
| 1502 RETENTIONTIME:500.04 | |
| 1503 Num Peaks:3 | |
| 1504 111.5221 8871153 | |
| 1505 109.5218 8470191 | |
| 1506 469.3939 8286428 | |
| 1507 | |
| 1508 NAME:C115 | |
| 1509 IONMODE:Negative | |
| 1510 SPECTRUMTYPE:Centroid | |
| 1511 RETENTIONTIME:498.95 | |
| 1512 Num Peaks:3 | |
| 1513 239.1464 2483711 | |
| 1514 390.3208 1535784 | |
| 1515 259.1161 653696 | |
| 1516 | |
| 1517 NAME:C116 | |
| 1518 IONMODE:Negative | |
| 1519 SPECTRUMTYPE:Centroid | |
| 1520 RETENTIONTIME:455.37 | |
| 1521 Num Peaks:3 | |
| 1522 229.0895 4621754 | |
| 1523 354.2842 3818861 | |
| 1524 257.2238 2133166 | |
| 1525 | |
| 1526 NAME:C117 | |
| 1527 IONMODE:Negative | |
| 1528 SPECTRUMTYPE:Centroid | |
| 1529 RETENTIONTIME:425.37 | |
| 1530 Num Peaks:3 | |
| 1531 356.2801 11507639 | |
| 1532 177.0628 3105367 | |
| 1533 245.0854 1520439 | |
| 1534 | |
| 1535 NAME:C118 | |
| 1536 IONMODE:Negative | |
| 1537 SPECTRUMTYPE:Centroid | |
| 1538 RETENTIONTIME:439.21 | |
| 1539 Num Peaks:3 | |
| 1540 380.2567 13628316 | |
| 1541 382.2719 3659980 | |
| 1542 264.2696 3219638 | |
| 1543 | |
| 1544 NAME:C119 | |
| 1545 IONMODE:Negative | |
| 1546 SPECTRUMTYPE:Centroid | |
| 1547 RETENTIONTIME:75.44 | |
| 1548 Num Peaks:2 | |
| 1549 267.043 3378727 | |
| 1550 244.0267 1028121 | |
| 1551 | |
| 1552 NAME:C120 | |
| 1553 IONMODE:Negative | |
| 1554 SPECTRUMTYPE:Centroid | |
| 1555 RETENTIONTIME:38.24 | |
| 1556 Num Peaks:2 | |
| 1557 130.0494 15956803 | |
| 1558 239.9654 1459631 | |
| 1559 | |
| 1560 NAME:C121 | |
| 1561 IONMODE:Negative | |
| 1562 SPECTRUMTYPE:Centroid | |
| 1563 RETENTIONTIME:35.65 | |
| 1564 Num Peaks:2 | |
| 1565 468.745 4564703 | |
| 1566 465.8067 2674183 | |
| 1567 | |
| 1568 NAME:C122 | |
| 1569 IONMODE:Negative | |
| 1570 SPECTRUMTYPE:Centroid | |
| 1571 RETENTIONTIME:42.78 | |
| 1572 Num Peaks:2 | |
| 1573 246.1704 11953696 | |
| 1574 232.1548 11289500 | |
| 1575 | |
| 1576 NAME:C123 | |
| 1577 IONMODE:Negative | |
| 1578 SPECTRUMTYPE:Centroid | |
| 1579 RETENTIONTIME:40.19 | |
| 1580 Num Peaks:2 | |
| 1581 149.9462 11520115 | |
| 1582 102.0359 2328253 | |
| 1583 | |
| 1584 NAME:C124 | |
| 1585 IONMODE:Negative | |
| 1586 SPECTRUMTYPE:Centroid | |
| 1587 RETENTIONTIME:40.7 | |
| 1588 Num Peaks:2 | |
| 1589 147.0736 18882528 | |
| 1590 229.1558 16017750 | |
| 1591 | |
| 1592 NAME:C125 | |
| 1593 IONMODE:Negative | |
| 1594 SPECTRUMTYPE:Centroid | |
| 1595 RETENTIONTIME:35.04 | |
| 1596 Num Peaks:2 | |
| 1597 276.896 10711749 | |
| 1598 271.9473 2149468 | |
| 1599 | |
| 1600 NAME:C126 | |
| 1601 IONMODE:Negative | |
| 1602 SPECTRUMTYPE:Centroid | |
| 1603 RETENTIONTIME:36.81 | |
| 1604 Num Peaks:2 | |
| 1605 140.0669 214841376 | |
| 1606 141.0353 15611039 | |
| 1607 | |
| 1608 NAME:C127 | |
| 1609 IONMODE:Negative | |
| 1610 SPECTRUMTYPE:Centroid | |
| 1611 RETENTIONTIME:17.03 | |
| 1612 Num Peaks:2 | |
| 1613 277.8643 3798476 | |
| 1614 295.8715 2325241 | |
| 1615 | |
| 1616 NAME:C128 | |
| 1617 IONMODE:Negative | |
| 1618 SPECTRUMTYPE:Centroid | |
| 1619 RETENTIONTIME:317.37 | |
| 1620 Num Peaks:2 | |
| 1621 286.2016 21614042 | |
| 1622 287.2049 3344526 | |
| 1623 | |
| 1624 NAME:C129 | |
| 1625 IONMODE:Negative | |
| 1626 SPECTRUMTYPE:Centroid | |
| 1627 RETENTIONTIME:520.57 | |
| 1628 Num Peaks:2 | |
| 1629 1205.3044 6938899 | |
| 1630 943.6165 3052234 | |
| 1631 | |
| 1632 NAME:C130 | |
| 1633 IONMODE:Negative | |
| 1634 SPECTRUMTYPE:Centroid | |
| 1635 RETENTIONTIME:511.04 | |
| 1636 Num Peaks:2 | |
| 1637 341.2854 4773092 | |
| 1638 269.983 889010 | |
| 1639 | |
| 1640 NAME:C131 | |
| 1641 IONMODE:Negative | |
| 1642 SPECTRUMTYPE:Centroid | |
| 1643 RETENTIONTIME:584.44 | |
| 1644 Num Peaks:2 | |
| 1645 111.0204 81745635 | |
| 1646 139.9881 60275297 | |
| 1647 | |
| 1648 NAME:C132 | |
| 1649 IONMODE:Negative | |
| 1650 SPECTRUMTYPE:Centroid | |
| 1651 RETENTIONTIME:594.5 | |
| 1652 Num Peaks:2 | |
| 1653 241.1402 2703532 | |
| 1654 253.2523 948549 | |
| 1655 | |
| 1656 NAME:C133 | |
| 1657 IONMODE:Negative | |
| 1658 SPECTRUMTYPE:Centroid | |
| 1659 RETENTIONTIME:587.56 | |
| 1660 Num Peaks:2 | |
| 1661 134.1177 233169113 | |
| 1662 135.1211 15007034 | |
| 1663 | |
| 1664 NAME:C134 | |
| 1665 IONMODE:Negative | |
| 1666 SPECTRUMTYPE:Centroid | |
| 1667 RETENTIONTIME:586.91 | |
| 1668 Num Peaks:2 | |
| 1669 118.1228 927034767 | |
| 1670 100.1122 314050032 | |
| 1671 | |
| 1672 NAME:C135 | |
| 1673 IONMODE:Negative | |
| 1674 SPECTRUMTYPE:Centroid | |
| 1675 RETENTIONTIME:587 | |
| 1676 Num Peaks:2 | |
| 1677 101.1156 19921503 | |
| 1678 90.0915 18125403 | |
| 1679 | |
| 1680 NAME:C136 | |
| 1681 IONMODE:Negative | |
| 1682 SPECTRUMTYPE:Centroid | |
| 1683 RETENTIONTIME:586.09 | |
| 1684 Num Peaks:2 | |
| 1685 125.0745 5222472 | |
| 1686 284.3251 3483102 | |
| 1687 | |
| 1688 NAME:C137 | |
| 1689 IONMODE:Negative | |
| 1690 SPECTRUMTYPE:Centroid | |
| 1691 RETENTIONTIME:567.43 | |
| 1692 Num Peaks:2 | |
| 1693 572.8946 4699172 | |
| 1694 573.9011 965749 | |
| 1695 | |
| 1696 NAME:C138 | |
| 1697 IONMODE:Negative | |
| 1698 SPECTRUMTYPE:Centroid | |
| 1699 RETENTIONTIME:567.99 | |
| 1700 Num Peaks:2 | |
| 1701 571.8874 9632225 | |
| 1702 737.0252 3438536 | |
| 1703 | |
| 1704 NAME:C139 | |
| 1705 IONMODE:Negative | |
| 1706 SPECTRUMTYPE:Centroid | |
| 1707 RETENTIONTIME:569.1 | |
| 1708 Num Peaks:2 | |
| 1709 467.2343 5702586 | |
| 1710 354.2721 3585655 | |
| 1711 | |
| 1712 NAME:C140 | |
| 1713 IONMODE:Negative | |
| 1714 SPECTRUMTYPE:Centroid | |
| 1715 RETENTIONTIME:561.51 | |
| 1716 Num Peaks:2 | |
| 1717 428.3739 27323731 | |
| 1718 454.3894 5088107 | |
| 1719 | |
| 1720 NAME:C141 | |
| 1721 IONMODE:Negative | |
| 1722 SPECTRUMTYPE:Centroid | |
| 1723 RETENTIONTIME:536.31 | |
| 1724 Num Peaks:2 | |
| 1725 333.1517 8840004 | |
| 1726 334.1551 1501440 | |
| 1727 | |
| 1728 NAME:C142 | |
| 1729 IONMODE:Negative | |
| 1730 SPECTRUMTYPE:Centroid | |
| 1731 RETENTIONTIME:543.48 | |
| 1732 Num Peaks:2 | |
| 1733 383.188 14719171 | |
| 1734 384.1866 3279849 | |
| 1735 | |
| 1736 NAME:C143 | |
| 1737 IONMODE:Negative | |
| 1738 SPECTRUMTYPE:Centroid | |
| 1739 RETENTIONTIME:548.78 | |
| 1740 Num Peaks:2 | |
| 1741 387.1432 12915848 | |
| 1742 407.6598 4564346 | |
| 1743 | |
| 1744 NAME:C144 | |
| 1745 IONMODE:Negative | |
| 1746 SPECTRUMTYPE:Centroid | |
| 1747 RETENTIONTIME:553.62 | |
| 1748 Num Peaks:2 | |
| 1749 359.1781 45383099 | |
| 1750 360.185 9704481 | |
| 1751 | |
| 1752 NAME:C145 | |
| 1753 IONMODE:Negative | |
| 1754 SPECTRUMTYPE:Centroid | |
| 1755 RETENTIONTIME:545.31 | |
| 1756 Num Peaks:2 | |
| 1757 443.3331 1151694 | |
| 1758 394.3559 432819 | |
| 1759 | |
| 1760 NAME:C146 | |
| 1761 IONMODE:Negative | |
| 1762 SPECTRUMTYPE:Centroid | |
| 1763 RETENTIONTIME:551.39 | |
| 1764 Num Peaks:2 | |
| 1765 350.1838 4199726 | |
| 1766 365.2288 1932289 | |
| 1767 | |
| 1768 NAME:C147 | |
| 1769 IONMODE:Negative | |
| 1770 SPECTRUMTYPE:Centroid | |
| 1771 RETENTIONTIME:563.22 | |
| 1772 Num Peaks:2 | |
| 1773 282.2792 241362345 | |
| 1774 256.2615 19433189 | |
| 1775 | |
| 1776 NAME:C148 | |
| 1777 IONMODE:Negative | |
| 1778 SPECTRUMTYPE:Centroid | |
| 1779 RETENTIONTIME:548.47 | |
| 1780 Num Peaks:2 | |
| 1781 305.2468 9633582 | |
| 1782 329.249 5814756 | |
| 1783 | |
| 1784 NAME:C149 | |
| 1785 IONMODE:Negative | |
| 1786 SPECTRUMTYPE:Centroid | |
| 1787 RETENTIONTIME:350.93 | |
| 1788 Num Peaks:2 | |
| 1789 130.0643 7419216 | |
| 1790 190.0865 4433780 | |
| 1791 | |
| 1792 NAME:C150 | |
| 1793 IONMODE:Negative | |
| 1794 SPECTRUMTYPE:Centroid | |
| 1795 RETENTIONTIME:365.37 | |
| 1796 Num Peaks:2 | |
| 1797 490.2083 5275418 | |
| 1798 465.1226 1763287 | |
| 1799 | |
| 1800 NAME:C151 | |
| 1801 IONMODE:Negative | |
| 1802 SPECTRUMTYPE:Centroid | |
| 1803 RETENTIONTIME:394.87 | |
| 1804 Num Peaks:2 | |
| 1805 328.2481 11119434 | |
| 1806 329.2519 2068394 | |
| 1807 | |
| 1808 NAME:C152 | |
| 1809 IONMODE:Negative | |
| 1810 SPECTRUMTYPE:Centroid | |
| 1811 RETENTIONTIME:385.78 | |
| 1812 Num Peaks:2 | |
| 1813 427.1607 2275086 | |
| 1814 409.1497 1369551 | |
| 1815 | |
| 1816 NAME:C153 | |
| 1817 IONMODE:Negative | |
| 1818 SPECTRUMTYPE:Centroid | |
| 1819 RETENTIONTIME:401.39 | |
| 1820 Num Peaks:2 | |
| 1821 107.0557 2271180 | |
| 1822 197.1612 1286942 | |
| 1823 | |
| 1824 NAME:C154 | |
| 1825 IONMODE:Negative | |
| 1826 SPECTRUMTYPE:Centroid | |
| 1827 RETENTIONTIME:388.72 | |
| 1828 Num Peaks:2 | |
| 1829 239.1276 1743749 | |
| 1830 286.9585 1645545 | |
| 1831 | |
| 1832 NAME:C155 | |
| 1833 IONMODE:Negative | |
| 1834 SPECTRUMTYPE:Centroid | |
| 1835 RETENTIONTIME:373.67 | |
| 1836 Num Peaks:2 | |
| 1837 507.1617 6285930 | |
| 1838 508.1657 1535734 | |
| 1839 | |
| 1840 NAME:C156 | |
| 1841 IONMODE:Negative | |
| 1842 SPECTRUMTYPE:Centroid | |
| 1843 RETENTIONTIME:378.37 | |
| 1844 Num Peaks:2 | |
| 1845 777.6928 4522421 | |
| 1846 257.2254 3302868 | |
| 1847 | |
| 1848 NAME:C157 | |
| 1849 IONMODE:Negative | |
| 1850 SPECTRUMTYPE:Centroid | |
| 1851 RETENTIONTIME:473.08 | |
| 1852 Num Peaks:2 | |
| 1853 534.2949 13399261 | |
| 1854 267.6425 11780168 | |
| 1855 | |
| 1856 NAME:C158 | |
| 1857 IONMODE:Negative | |
| 1858 SPECTRUMTYPE:Centroid | |
| 1859 RETENTIONTIME:508.15 | |
| 1860 Num Peaks:2 | |
| 1861 380.2992 5790633 | |
| 1862 423.2518 1386850 | |
| 1863 | |
| 1864 NAME:C159 | |
| 1865 IONMODE:Negative | |
| 1866 SPECTRUMTYPE:Centroid | |
| 1867 RETENTIONTIME:471.89 | |
| 1868 Num Peaks:2 | |
| 1869 304.2357 21716257 | |
| 1870 306.1523 8327492 | |
| 1871 | |
| 1872 NAME:C160 | |
| 1873 IONMODE:Negative | |
| 1874 SPECTRUMTYPE:Centroid | |
| 1875 RETENTIONTIME:465.45 | |
| 1876 Num Peaks:2 | |
| 1877 295.1974 20379534 | |
| 1878 193.1239 1274413 | |
| 1879 | |
| 1880 NAME:C161 | |
| 1881 IONMODE:Negative | |
| 1882 SPECTRUMTYPE:Centroid | |
| 1883 RETENTIONTIME:488.7 | |
| 1884 Num Peaks:2 | |
| 1885 667.4214 3075774 | |
| 1886 1189.7766 2040172 | |
| 1887 | |
| 1888 NAME:C162 | |
| 1889 IONMODE:Negative | |
| 1890 SPECTRUMTYPE:Centroid | |
| 1891 RETENTIONTIME:471.97 | |
| 1892 Num Peaks:2 | |
| 1893 393.2201 8389493 | |
| 1894 316.6601 7221684 | |
| 1895 | |
| 1896 NAME:C163 | |
| 1897 IONMODE:Negative | |
| 1898 SPECTRUMTYPE:Centroid | |
| 1899 RETENTIONTIME:465.16 | |
| 1900 Num Peaks:2 | |
| 1901 431.3157 12163271 | |
| 1902 422.3267 4962906 | |
| 1903 | |
| 1904 NAME:C164 | |
| 1905 IONMODE:Negative | |
| 1906 SPECTRUMTYPE:Centroid | |
| 1907 RETENTIONTIME:474.29 | |
| 1908 Num Peaks:2 | |
| 1909 398.3268 11918127 | |
| 1910 239.1779 8236995 | |
| 1911 | |
| 1912 NAME:C165 | |
| 1913 IONMODE:Negative | |
| 1914 SPECTRUMTYPE:Centroid | |
| 1915 RETENTIONTIME:477.74 | |
| 1916 Num Peaks:2 | |
| 1917 307.15 1941191 | |
| 1918 249.1858 1576729 | |
| 1919 | |
| 1920 NAME:C166 | |
| 1921 IONMODE:Negative | |
| 1922 SPECTRUMTYPE:Centroid | |
| 1923 RETENTIONTIME:494.51 | |
| 1924 Num Peaks:2 | |
| 1925 355.2846 54372680 | |
| 1926 373.2951 6108864 | |
| 1927 | |
| 1928 NAME:C167 | |
| 1929 IONMODE:Negative | |
| 1930 SPECTRUMTYPE:Centroid | |
| 1931 RETENTIONTIME:497.67 | |
| 1932 Num Peaks:2 | |
| 1933 474.3486 2732000 | |
| 1934 649.4483 2434649 | |
| 1935 | |
| 1936 NAME:C168 | |
| 1937 IONMODE:Negative | |
| 1938 SPECTRUMTYPE:Centroid | |
| 1939 RETENTIONTIME:498.02 | |
| 1940 Num Peaks:2 | |
| 1941 539.4163 5285541 | |
| 1942 459.2569 3550909 | |
| 1943 | |
| 1944 NAME:C169 | |
| 1945 IONMODE:Negative | |
| 1946 SPECTRUMTYPE:Centroid | |
| 1947 RETENTIONTIME:492.45 | |
| 1948 Num Peaks:2 | |
| 1949 732.5452 4526953 | |
| 1950 733.5465 1043642 | |
| 1951 | |
| 1952 NAME:C170 | |
| 1953 IONMODE:Negative | |
| 1954 SPECTRUMTYPE:Centroid | |
| 1955 RETENTIONTIME:497.3 | |
| 1956 Num Peaks:2 | |
| 1957 451.3631 6446370 | |
| 1958 450.3586 4210116 | |
| 1959 | |
| 1960 NAME:C171 | |
| 1961 IONMODE:Negative | |
| 1962 SPECTRUMTYPE:Centroid | |
| 1963 RETENTIONTIME:467.81 | |
| 1964 Num Peaks:2 | |
| 1965 185.0776 5067455 | |
| 1966 200.203 1398415 | |
| 1967 | |
| 1968 NAME:C172 | |
| 1969 IONMODE:Negative | |
| 1970 SPECTRUMTYPE:Centroid | |
| 1971 RETENTIONTIME:457.02 | |
| 1972 Num Peaks:2 | |
| 1973 263.2347 3933284 | |
| 1974 615.2633 1132491 | |
| 1975 | |
| 1976 NAME:C173 | |
| 1977 IONMODE:Negative | |
| 1978 SPECTRUMTYPE:Centroid | |
| 1979 RETENTIONTIME:443.89 | |
| 1980 Num Peaks:2 | |
| 1981 370.2956 41596161 | |
| 1982 371.304 9966707 | |
| 1983 | |
| 1984 NAME:C174 | |
| 1985 IONMODE:Negative | |
| 1986 SPECTRUMTYPE:Centroid | |
| 1987 RETENTIONTIME:438.81 | |
| 1988 Num Peaks:2 | |
| 1989 579.2938 6044865 | |
| 1990 330.2563 5274387 | |
| 1991 |