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9190 1 1 1 1 1 15230 1 1 1 5374 1 1 1 1 1 10143 1 6133 1 6806 1 12681 1 19204 1 11350 1 1 2076 16737 2283 12285 11091 13962 1 1 1 4941 1 1 1 17974 1 1 1 1 1 1 1 L-Alaninol 1086971 975600 970593 514752 419870 162778 144703 6816340 4605856 323205 352582 516729 442397 266078 1 318235 271486 209295 237197 310100 318911 5748529 5345151 118349 108539 272267 234318 335764 279272 752690 401130 345306 264328 504064 488230 153168 138101 1013928 1018289 726945 694988 3403073 2793178 336060 310298 345383 337842 587518 484157 1 1 3459526 3560228 1250570 1235961 153.0513@0.95388514 47665 1 1 116451 1 86740 1 103005 1 34585 1 119440 1 1 1 44832 1 20669 1 44310 1 40359 1 51114 1 38780 1 78269 1 64495 1 40933 1 1 1 90396 1 73184 71339 45478 1 31097 1 48391 1 1 1 82619 1 1 1 22063 1 23095 21104 3-Guanidinopropionic acid 386062 55382 157503 916837 96730 1419992 157153 601237 48210 594771 103994 860007 89405 108958 1 328986 62505 287804 111355 451437 74974 607801 65367 453533 104480 674890 107255 410367 40548 1024328 123851 496633 49788 153327 156213 957403 107912 955253 852318 593239 79536 323211 30159 426124 94965 150234 151544 1010312 110577 1 1 309821 65119 247728 239898 230.1363@0.95158046 5211 1 1 6384 1 1 1 1 1 1 1 1 1 1 1 8229 1 6550 5528 7483 1 1 1 1 1 3959 1 1 6033 1 1 5696 1 1 1 3956 1 1 1 6470 3842 1 1 1 1 6478 5976 4767 1 1 1 1 1 8835 9097 C4 H9 N 8745 8533 1 1 1 12469 4001 1 6544 12499 1 1 1 1 1 11278 1 16998 18529 1 11279 16534 25659 1 16430 10741 15548 1 8022 1 11477 18735 1 1 1 12170 1 1 9057 7695 11413 10185 1 1 21676 1 1 1 20279 1 1 1 1 5948 1 266.1105@0.96320385 5216 1 1 11770 1 12627 1 9088 1 5188 1 12522 1 1 1 5049 1 1 1 5687 1 1 1 5681 1 5031 1 7067 1 10030 1 7169 1 1 1 11495 1 15455 14500 5836 1 1 1 4907 1 1 1 11396 1 1 1 3731 1 1 5002 C8 H21 N5 O4 S2 100156 10400 1 96813 7798 19460 1 123281 11251 15778 3262 102315 9349 15655 1 81952 12909 1 5102 37121 4559 25680 6818 67598 9815 1 8331 137640 13631 1 14751 39006 8820 8000 10570 80832 15450 12179 28478 46216 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509060 456733 699783 432872 647143 545017 1222325 571968 699312 614758 617805 410625 507619 461190 727335 483685 1033957 966541 580948 415555 679402 535844 773562 387184 750809 794156 900614 453786 1 1 601570 326786 694392 861328 156.0536@0.96476275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6532 1 1 1 1 1 1 1 4454 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C4 H7 N 635115 89359 165355 427784 80212 608957 90508 626200 54190 484200 78574 666472 96782 5864 1 857627 145705 723172 219247 869483 121993 636565 1 632008 1 603196 87917 6546 139691 593455 1 591011 1 123105 118524 451295 1 9834 468868 527789 1 984703 1 799500 139849 223010 222585 17263 58403 1 1 596415 113373 493655 14203 Thr Glu 70277 63197 121449 82621 64336 87412 111259 82215 84358 103703 115796 137615 108200 250389 1 82787 96816 111290 128391 68392 117814 61612 113141 92858 101871 76855 137890 105223 159320 103381 191315 94983 113310 94600 97924 82841 120346 224392 216449 82131 112690 114793 158955 95344 78573 213610 232276 122581 120584 1 1 88057 63917 202850 236648 C4 H5 N3 O4 29243 1 6963 35284 1 34980 1 26293 1 32261 1 40238 1 7578 1 50453 1 42529 11693 49645 1 24048 1 35366 1 29719 1 75503 1 39408 1 47352 1 1 1 24061 1 26824 25363 27874 1 80666 1 41906 1 7900 1 28781 1 1 1 29233 1 26050 27061 D-Proline 1 380827 1 1561902 1 1608500 1 1510632 237835 1195671 1 25065 431869 841652 1 2257269 629695 1783505 887796 2088723 517600 1532788 320180 1567076 1 1492893 368741 2907762 570539 1629560 1 1429412 1 418396 1 1196695 275992 1454295 1469768 27478 1 19750 1 1750872 580417 728247 1 1191294 1 1 1 1371232 1 1606569 1 272.0849@0.9696033 4540 1 1 4277 1 4472 1 1 1 4899 1 6164 1 1 1 5718 1 7015 1 6682 1 1 1 4870 1 3875 1 9148 1 1 1 6087 1 1 1 1 1 4604 1 3810 1 9786 1 5892 1 1 1 4501 1 1 1 4156 1 4550 4747 C4 H9 N O S2 13701 1 1 15781 15527 15787 21467 19345 18319 17100 23389 1 18071 23476 1 14677 17916 19208 17076 10232 19580 1 18871 1 16611 11362 20212 17883 26093 18261 23082 1 18296 14146 15820 1 19870 25553 24040 1 21009 19195 23863 16987 13859 21579 21661 18806 21498 1 1 16139 1 1 1 140.0588@1.021064 12661 1 1 30759 1 21611 4819 1 1 14553 5459 1 1 1 1 12240 1 10088 1 1 2256 1 1 15453 1 7084 1 1 1 16465 1 8053 1 1 1 38922 1 6294 1 23292 1 13168 1 26524 2949 6227 1 29363 1 1 1 6959 1 8813 1 N-METHYLISOLEUCINE 177779 64306 164476 282509 84064 221690 80174 141598 61154 157932 70315 320559 101052 180289 1 245009 92969 279751 165148 264520 106563 250702 89511 419601 173176 161454 62254 323773 84198 271792 79669 1 1 98093 99511 192350 64550 391528 403958 267705 110103 261178 68158 361326 145182 210595 219447 336531 98630 1 1 242533 125781 431739 438663 Vigabatrin + 1.0069108 25993 7355 1 15265 1 35836 11364 43614 11276 42664 16352 17636 1 30122 1 32312 10126 31928 16724 305343 87435 60174 20596 31466 11451 41729 13790 25055 1 33768 7669 550345 193023 10317 10067 34365 10524 170639 152924 95047 32027 115023 33177 1 1 87365 87164 17012 1 1 1 178925 81136 386778 394619 103.099@1.0169591 1 1 1 1 1 1 1 1 1 1 1 64699 94000 1 1 1 8174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Pentoxifylline 1 1 1 1 1 1 1 13635 1 1 1 1 1 5371 1 4788 1 6438 6190 9431 4665 6334 3590 2713 1 5385 2673 4610 1 5507 1 22674 14151 1 1 7257 1 24861 24747 1 1 16314 8276 1 1 11460 12571 1 1 1 1 15279 9091 42945 42778 218.1623@1.0106701 1 1 1 1 1 1 1 90886 17478 1 1 1 1 1 1 1 1 1 1 4150 1 26547 7234 1 1 1 1 1 1 5474 1 9431 1 1 1 1 1 8476 8494 1 1 48472 10445 1 1 1 1 1 1 1 1 47420 24789 21643 21208 198.1078@1.0043486 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5706 1 1 1 1 1 1 1 4310 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.1704@1.0151519 1 1 1 1 1 1 1 136870 1 1 1 1 1 1 1 7061 1 3926 1 30952 1 10121 1 1 1 5207 1 1 1 7302 1 373544 24448 1 1 16136 1 21680 23966 2590 1 81642 1 1 1 1 3785 1 1 1 1 86827 7460 124679 128787 Triparanol 13834 1 1 10202 1 7232 1 221624 32030 8094 1 3836 1 19989 1 58242 11494 57820 26030 134830 31213 83747 19320 44029 9188 73356 15129 44530 5730 71809 8547 410806 98309 1 1 119321 19499 112195 100737 52393 9164 203074 38720 38499 8975 48431 48407 7342 1 1 1 231521 61635 206726 197572 1-Aminocyclohexanecarboxylic acid 226418 76992 58113 155366 44354 136124 46603 6775613 1914041 134548 54925 49946 16385 541289 1 1432484 508506 1187561 771350 3706394 1422417 2145136 749058 930696 410467 1758936 629605 604795 185282 1790803 432710 13081048 5347660 49687 47354 3299338 1114322 2025853 2197617 1444851 516693 5549248 1920820 785611 315882 1431028 1421392 117654 34872 1 1 6348858 3365093 5426990 5875087 69.0579@0.9855745 1 1 1 1 1 1 1 1 1 1 1 1 1 254271 1 1 1 1 1 1 1 1 78759 1 121107 1 1 1192796 1 1 77026 1 65411 1 1 1 66390 447085 1 1 77763 1 114770 1 1 1 1 509179 1 1 1 1 1 1 166443 Asymmetric dimethylarginine 272011 1 10971 217329 1 232053 1 219475 1 234029 6892 273187 1 11069 1 261855 7846 187478 30687 190477 1 198888 1 231830 10092 178433 6167 288302 1 247325 6305 138909 1 6260 6222 161681 1 254108 262859 183254 1 289020 1 213974 11747 23361 16497 200274 1 1 1 132965 8566 203445 206174 C18 H22 O7 S 1 6250 1 64482 1 1 1 1 7201 4153 1 79093 8157 1 1 1 1 7467 1 1 1 9369 1 31695 1 1 1 1 7162 1 1 4036 1 1 1 40303 6954 1 1 18075 1 9771 1 26249 1 1 1 16339 1 1 1 11744 1 1 1 94.0525@1.0550143 1 1 1 1 1 1 1 8051 1 1 1 1 1 1 1 1 1 1 1 7200 1 7420 1 10472 1 1 1 1 1 1 1 5765 1 1 1 1 1 1 1 12709 1 1 1 1 1 1 1 1 1 1 1 1 1 10783 1 942.9822@1.0759891 63646 29463 1 1 1 42581 14674 1 37010 52650 58659 1 21971 21191 1 1 1 26056 6420 37974 1 1 20709 1 24692 1 59316 1 20907 34025 1 25981 1 1 1 36665 54962 16277 29751 30767 36243 8124 1 27466 22875 16985 1 1 31439 1 1 25597 39461 7289 1 C12 H10 O S 74187 23608 1 1 15419 1 5342 131929 1 19035 1 1 8222 12183 1 1 17334 19416 7554 21481 7153 1 8718 1 13259 22059 9318 1 12010 1 8325 36753 1 1 1 81788 23384 2925187 7677 23833 7255 1 1 35607 14268 12329 11987 1 8463 1 1 22042 6647 1132974 1 356.24@1.0608075 1 1 1 1 1 1 1 1 1 1 1 4978 1 1 1 1 1 9399 1 1 1 1 1 1 1 1 1 3533 1 1 1 3392 1 1 1 1 1 1 1 1 1 1 1 12844 1 1 1 10124 1 1 1 11478 1 1 18371 117.0779@1.0775238 61249 1 1 124490 1 1 1 1 1 1896845 1 1 15028 1 1 60092 1 1 184037 1 28550 781695 1 1 1 1 1 1 46929 1 1 66133 1 1 1 1 1 1 1 46565 1 1 1 1 1 207669 1 1 1 1 1 1 1 1 1 264.1036@1.0705225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8055 7232 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9562@1.1036093 27325 57472 28659 1 23823 25525 31958 28133 1 31380 55853 1 50647 24660 1 29638 35224 28080 12882 13590 1 1 55458 8911 39285 30609 49219 27296 43566 33762 68439 19088 55650 36722 33409 33779 39506 1 25764 23910 34912 17244 58287 23386 22869 24098 26463 35731 48949 1 1 22803 43626 29538 18150 211.0957@1.114244 1 1 1 1 1 2444 1 1 1 1 1 1 1 1 1 1 1 3763 1 1 1 1 1 1 1 1 1 1 1 10257 1 1 1 1 1 4892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.1369@1.0789697 1 1 1 1 1 1 16585 46153 1 1 1 1 1 1 1 1 1 1 1 1 81000 1 1 1 1 1 1 1 1 1 1 20681 1 1 1 1 1 1 1 63175 1 1 1 1 1 31770 1 1 1 1 1 1 1 1 1 C10 H16 N2 O4 7093 1 1 10522 1 13665 1 9898 1 17542 1 21983 1 5384 1 21539 1 19917 1 13526 1 33539 1 23865 1 7526 1 8227 1 21904 1 17330 1 1 1 14417 1 16022 15238 9140 1 24962 1 29368 1 1 1 33693 1 1 1 17802 1 9256 10807 184.0342@1.1227897 1 13900 1 1 1 1 1 26308 16253 1 12524 1 8304 13637 1 1 1 1 13090 20327 19103 1 1 1 27264 1 1 1 24244 1 1 1 1 1 1 1 1 1 17065 1 14444 1 1 1 21200 19433 20459 1 9152 1 1 1 1 1 1 176.0314@1.1254755 10340 1 1 1 1 21100 1 10527 1 10734 1 1 1 1 1 25704 1 21659 1 33532 1 1 1 1 1 1 1 28209 1 6860 1 53758 1 1 1 10040 1 1 1 53645 1 20565 1 17657 1 1 1 1 1 1 1 31306 1 1 1 175.1193@1.1405542 6579 1 1 8560 1 7165 1 1 1 7165 1 1 1 1 1 9354 1 7258 1 8901 1 1 1 6595 1 5443 1 8141 1 11600 1 11466 1 1 1 4799 1 7159 5975 1 1 22250 1 1 1 1 1 1 1 1 1 11131 1 11862 11578 143.0932@1.1395597 1 1 1 1 1 1 1 1 10757 7072 1 1 1 1 1 1 1 10800 1 1 1 1 1 1 1 8561 1 7336 1 12037 1 1 1 1 6215 11864 1 4240 4040 5267 1 19107 1 1 1 1 11305 29960 12021 1 1 33333 1 15135 11176 3,4-Dihydroxybutyric acid 54446 213517 72974 1 187072 40960 77877 1 1 1 197654 164424 174403 96502 1 51331 85934 1 42818 42066 89617 1 1 1 193466 1 186709 46167 1 53586 219923 1 1 147787 53219 167597 169058 27624 1 44082 169775 55677 185999 52466 217463 99646 54991 187574 220391 1 1 43831 83044 1 87049 942.9814@1.1699207 1 30630 20607 1 1 15813 17871 52243 37203 1 1 1 31343 24886 1 1 33082 16153 26675 17311 1 1 37132 9850 1 1 1 1 36700 21916 26197 14192 26632 16221 18422 17480 1 30999 5660 16300 32587 7568 63258 20061 38550 34518 36985 29400 1 1 1 15853 1 4031 7602 382.1073@1.1732374 1 1 1 11772 1 1 1 28566 1 1 1 20509 1 1 1 2733 1 1 1 1 1 1 1 4349 1 1 1 1 1 1 1 4054 1 1 1 1 1 1 1 5233 1 1 1 5215 1 1 1 2261 1 1 1 3294 1 1 1 115.0634@1.2155155 30650 33391 1 1 3786 1 10562 1 1 1 1 22035 23516 1 1 1 3863 1 1 1 1 1 1 8219 11098 1 13476 1 1 16932 1 1 1 1 1 1 13594 1 1 1 18925 1 14478 1 1 1 1 10449 1 1 1 1 9088 6187 1 821.0066@1.1977596 1 12051 15963 1 27840 1 6942 1 19623 17497 18430 1 1 1 1 1 1 1 7447 1 1 30527 1 1 21706 40197 29789 1 1 1 12902 15672 26062 18960 1 1 1 1 1 1 1 42041 1 21184 1 1 1 1 27620 1 1 22928 1 7820 1 218.0175@1.1816767 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D-Glucose 114461 8810 1 163618 1 53212 1 177695 1 46859 1 152612 1 1 1 85625 1 61734 1 67547 1 45958 1 73705 1 41232 1 155106 1 58525 1 73180 1 1 1 55790 1 19763 23533 86720 1 72660 1 92828 1 1 1 53428 1 1 1 70104 1 15436 12366 319.123@1.1850277 10813 1 1 16679 1 5837 1 14643 1 5072 1 15897 1 1 1 9067 1 6314 1 6388 1 4549 1 7742 1 4597 1 16504 1 6010 1 7105 1 1 1 9046 1 4371 1 8913 1 7145 1 8758 1 1 1 1 1 1 1 1 1 3834 2920 358.0604@1.1846356 1 1 1 6199 1 1 1 1 1 1 1 4945 1 1 1 1 1 4411 1 3753 1 1 1 1 1 1 1 5088 1 1 1 4335 1 1 1 4989 1 1 3450 1 1 1 1 3738 1 1 1 3806 1 1 1 1 1 1 1 Valine + 1.1855006 562285 1 120294 963797 1 930576 1 793419 1 593623 1 944753 1 176068 1 450462 83727 940349 1 752452 1 53961 1 637799 1 544890 1 875919 1 751582 90939 845736 1 72614 1 1245904 1 964133 960385 592032 1 937816 1 706686 1 1 1 662834 1 1 1 648980 1 943470 959362 C14 H20 O5 S 6715 1 1 14061 1 10941 1 8581 1 8602 1 10448 1 1 1 6693 1 9748 1 8363 1 8183 1 7179 1 5395 1 12197 1 7917 1 10692 1 1 1 11951 1 11217 10712 8060 1 12677 1 8630 1 1 1 8967 1 1 1 10334 1 10325 9605 427.1352@1.187409 2430 1 1472 4963 1 3425 1 3253 1 2750 1 3968 1 1839 1 1 1 3847 1 3551 1 2841 1 2533 1 3159 1 4219 1 2848 1 3132 1 1 1 5071 1 2168 2656 1 1 3085 1 3174 1 1 1940 3174 1 1 1 3590 1 2750 1 572.2046@1.1866103 2170 1 1 5220 1 3263 1 2741 1 1 1 3695 1 1 1 1 1 2936 1 2598 1 2733 1 1 1 1 1 3695 1 2215 1 3464 1 1 1 4334 1 7081 1 2614 1 3209 1 1 1 1 1 3515 1 1 1 2783 1 6314 6542 isoamyl nitrite + 1.1783686 197185 27118 48753 382168 50528 333588 49675 242910 1 234562 24148 332606 42861 43045 1 196400 25149 321667 35357 273627 21589 257715 17479 202502 24777 188110 16863 307867 24618 251245 17295 294521 21682 21540 21598 307704 40144 256048 273260 251703 22584 317594 27463 267104 29490 64083 67334 232818 16075 1 1 297259 29149 240726 237614 Pro His His 7216 1 1 14428 1 11878 1970 8980 1 7161 1 13091 1 1 1 7280 1 10760 1 9072 1 8788 1 6563 1 6286 1 12128 1 7607 1 9480 1 1 1 15293 1 13509 12940 7903 1 8489 1 9461 1 1 4274 9740 1 1 1 10833 1 11591 12774 C8 H16 N8 O2 + 1.1841767 11723 1 1 26339 3214 22009 3093 16392 1 14401 1 22358 2403 1 1 13907 1 22673 1 19605 1 18350 1 13366 1 12790 1 22977 1 16736 1 20333 1 1 1 22396 1 25497 25597 16897 1 24575 1 15488 1 5284 5111 14542 1 1 1 18530 1 22118 24322 433.1465@1.1870672 3977 1 1 10435 1 6467 1 5094 1 4169 1 6559 1 2200 1 4998 1 6550 1 5495 1 5117 1 4332 1 3524 1 7168 1 4305 1 5883 1 1 1 8461 1 1 9445 5229 1 6095 1 6339 1 1 1 6238 1 1 1 6243 1 8247 8558 970.9961@1.2151632 3636 1 1 1 1 1 1 3223 1 1 1 4695 2315 1 1 1 1 8518 1 2956 1 3857 1 1 1 1 1 1 1 2904 2195 4826 1 2002 1 4080 1 1 2523 1 1 1 1 1 1 1 1 4734 1 1 1 1 1 1201 2521 C4 H9 N + 1.1801513 1199939 175443 350759 2354606 301911 1998076 321344 1619466 132557 1389932 210084 2200379 316794 348357 1 1143884 172813 1941944 568849 1596954 224528 1586220 198588 1294159 218976 1212561 181865 2026970 244369 1491734 133674 1719918 182825 211125 207234 2415075 355160 1491674 1485870 1430043 235526 1872590 204744 1684232 250620 628221 637159 1544192 138475 1 1 1882145 312914 1380954 1396555 439.1625@1.1867203 3737 1 1 9949 1 5645 1 5068 1 3486 1 7811 1 1 1 4005 1 5347 1 5185 1 5491 1 4093 1 3085 1 8051 1 4941 1 7108 1 1 1 7641 1 11317 12587 5709 1 7396 1 5071 1 1 1 1 1 1 1 5180 1 9317 9266 C4 H7 N3 O4 30280 6762 14143 49453 7943 42339 1 34292 4593 31534 1 46218 5609 13127 1 30718 6600 41824 1 36801 1 34352 1 29841 1 25916 1 42221 1 35756 1 39729 1 1 9716 44283 4003 40382 40962 35024 1 46139 1 37506 1 10081 10329 36031 1 1 1 40182 3195 1 36535 C12 H31 N7 O S5 4570 1 2782 9452 1 6650 1 6244 1 4359 1 8309 1 2957 1 4798 1 6770 1 6836 1 5962 1 5009 1 5233 1 6812 1 6055 1 6849 1 1 1 9010 1 4186 4854 6018 1 6665 1 6172 1 1 1 5984 1 1 1 6334 1 4680 4512 Glu Tyr Thr 4624 1 1 10844 1 7622 1 6737 1 4577 1 8378 1 2312 1 5199 1 6861 1 6298 1 5980 1 4685 1 4301 1 8217 1 5314 1 6775 1 1 1 9740 1 9034 8557 5809 1 6650 1 6756 1 1 1 6100 1 1 1 7287 1 8719 8801 294.0885@1.1900393 1 1 1 1 1 1 1 1 1 3650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11345 11935 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025@1.1751381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 515930 1 1 1 282072 690975 1 1 1 219863 658386 1 1 1 1 1 1 533630 447626 1 1 681281 1 1 1 670834 1 551450 1 1 1 1 452684 1 C7 H12 N6 O5 86230 12928 10191 33410 1 7918 1 100882 1 28122 49220 129841 1 30046 1 6659 10901 36207 141871 10422 57540 143876 134379 44251 58536 8542 1 8463 1 5179 1 6081 1 1 1 904319 34468 47574 48140 1 28744 1 1 30670 55492 28212 27883 289735 73233 1 1 104781 56216 207597 207056 117.1103@1.1847574 1 1 1 903177 1 181159 1 377628 1 204526 1 488174 1 73861 1 331373 1 229661 1 284496 466160 1 1 113722 1 257214 1 541498 77669 229261 1 398002 415706 1 1 1 1 417012 313049 429068 1 199509 1 341081 1 847197 836005 289462 1 1 1 282263 1 233567 300101 C4 H11 N 1 18707 1 9513 12205 1 7201 1 17001 1 40580 1 51365 135158 1 7363 27720 8494 43819 1 46159 1 67201 1 48690 1 48490 1 44259 1 27073 1 43220 260950 227255 17116 46838 1 21826 5890 48156 1 47260 4903 58181 278050 281092 1 59668 1 1 5635 47333 1 19746 cyclohexylammonium 12879 58930 48366 41875 38699 14268 45128 1 46572 15573 24233 26514 49085 28233 1 22246 21588 12418 23062 13440 19720 1 47753 1 27735 14147 31124 22715 34845 11301 24327 15849 19046 38391 35356 12331 32239 12080 13249 20612 27854 1 27926 18718 45312 38082 36106 1 43920 1 1 24068 30354 9762 9811 75.0326@1.2127644 8655 1 1 1 1 1 1 1 1 1 1 44491 1 1 1 19541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15881 1 1 1 1 1 16548 1 1 1 1 1 1 1 C10 H11 N O2 1 3726 1 11641 5492 13562 6526 9672 5499 12811 9021 14229 7490 8821 1 5945 1 18942 15510 11631 7158 23944 9330 22797 9027 7759 3525 7351 4122 4104 1 22482 10148 1 3489 3622 3078 15230 15276 9212 4824 13232 6530 5430 4413 7829 7289 5050 5346 1 1 10673 7494 10349 11554 297.1248@1.205901 1 1 1 1 1 1 1 2361 1 1 1 1 1 1 1 1 1 1 4163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3480 3934 1436 1 1 1 1 2342 2893 2769 Uridine 19309 10433 1 28162 17756 31138 25314 1 11515 30846 11809 26869 16750 1 1 24422 4644 31633 1 22723 13368 23048 9114 22913 10824 21279 12346 27590 13573 34402 1 31140 12044 1 1 11707 16917 34797 33541 25989 20527 40065 1 26880 1 5402 15582 17756 8705 1 1 25544 9925 23353 24564 230.1615@1.21643 1 1 1 6497 1 4156 1 1 1 1 1 1 1 1 1 1 1 7126 1 1 1 1 1 2797 1 1 1 1 1 4543 1 1 1 1 1 1 1 1 1 3078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.0963@1.2213416 8201 1 1 1 1 8379 1 10456 1 7780 1 9597 1 1 1 6798 1 6974 2794 1 1 7573 1 1 1 5287 1 6621 1 1 1 9990 1 1 1 1 1 10942 10999 9004 1 10797 1 7323 1 1 1 8375 1 1 1 6534 1 1 10053 120.0436@1.1474301 1 1 1 1 2115219 427355 446175 1 1 1 1 2440811 1 1 1 1 930761 2572133 1141070 1 1 1 1 498529 1 436319 1 1 1 590075 2717989 525169 1 1 1 2596475 2125157 822135 859649 362765 1995221 1 2053869 2998003 1 2304501 1 1 1 1 1 2457067 2125471 987861 910559 120.1369@1.2089169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24653 1 1 1 1 31457 1 1 23506 1 23513 1 1 1 1 1 1 1 1 1 1 1 1 1 16432 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.0765@1.220521 3083 1 1 1 1 1 1 3869 1 1 1 1 1 1 1 1 1 1 1 1 1 3617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125.0787@1.2336992 1 1 1 1 1 5924 1 8221 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9038 1 1 1 1 1 1 1 1 1 1 1 6040 1 147.0886@1.2276313 1 1 1 10377 1 1 1 15876 1 1 1 15027 1 1 1 1 1 11841 1 13451 1 1 1 1 1 1 1 13986 1 1 1 14347 1 1 1 10043 1 15529 1 1 1 21358 1 11649 1 13923 1 1 1 1 1 1 1 1 21306 166.0844@1.2241119 1 1 1 1 1 1 1 1 3679 1 1 1 1 1 1 1 1 1 1 5080 1 1 1 9567 7694 1 1 1 1 1 1 6683 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Val Ala 15147 1 1 20136 1 18606 1 30146 1 20666 1 19354 1 1 1 16018 1 14922 6106 1 1 18408 1 1 1 11917 1 15604 1 18492 1 19690 1 1 1 17044 1 16234 16348 18674 1 31400 1 18533 1 6616 5938 17510 1 1 1 17477 1 24994 25691 73.0168@1.2316842 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20673 1 18546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16384 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 285.1287@1.2421963 1 1 1 1 1 1 1 1 1 1 1 10717 1 1 1 5621 1 7367 1 3991 1 1 1 4492 1 1 1 1 1 1 1 1 1 1 1 1 1 5019 1 1 1 9845 1 12846 1 1 1 1 1 1 1 1 1 1 1 Isobutylglycine 6892 1 1 12381 1 19667 1 9214 1 10189 1 13291 1 1 1 15516 1 33988 7672 20227 1 17977 1 11609 1 6054 1 14680 1 13517 1 14598 1 1 1 10424 1 14034 13631 17918 1 31499 1 40581 3092 1 5130 22375 1 1 1 42611 5095 73888 78017 8-Amino Caprylic acid 361764 190228 84148 444308 190094 368661 171546 578950 215241 300714 182874 599614 284153 350589 1 230399 112226 485309 3029 492741 241556 615305 298874 439265 226797 235265 120868 390118 141324 219563 91131 427665 176742 152314 145223 248907 113547 897688 937155 440596 234112 588589 259716 358533 180632 205013 213359 659711 293682 1 1 441115 243247 437619 428461 C6 H11 N 8644 31840 7538 5543 27278 4817 17125 8688 47478 25032 66912 1 1 13647 1 13372 26233 12509 44646 1 13166 1 16733 1 10161 12347 60512 9612 45047 13669 48364 1 17466 1 9312 7390 21414 28439 27913 19805 63436 19162 55168 12425 59279 68816 69954 19293 81699 1 1 12358 51387 9953 9467 1-Aminocyclohexanecarboxylic acid + 1.2353454 59068 1 8366 1 1 28360 1 73087 19990 183830 76049 1 1 20501 1 95913 39532 88677 49469 24521 1 1 1 1 13587 108486 38031 69587 22412 107293 30872 104799 1 8535 7796 1 1 218013 218414 146806 54223 150227 53114 72906 26837 53317 57956 123953 40716 1 1 80638 43479 77430 69794 C6 H11 N O2 98364 1 31135 1 1 213635 1 178270 1 312244 93117 99784 1 56670 1 172400 50817 163407 87932 237575 69522 227366 61707 111268 1 288895 88852 1 1 246025 30294 267508 55871 31959 5266 370830 90226 140240 143441 316558 96028 285132 59267 94986 1 148819 157257 146894 33610 1 1 148615 49905 178730 185569 216.1352@1.2465757 1 1 1 1 1 1 1 13487 1 1 1 1 1 1 1 24657 1 29360 7508 1 1 1 1 1 1 1 1 1 1 58690 5221 1 1 1 1 1 1 1 1 35203 1 1 1 26617 1 1 4789 1 1 1 1 1 1 19953 20978 C5 H9 N 1 1 17820 90525 1 96810 1 128394 15430 136424 35831 1 1 26405 1 91359 1 88762 1 112985 1 119566 1 1 1 141236 33557 109348 1 110572 14351 126278 25278 16111 17163 138609 1 61888 60846 144469 38432 134171 1 1 1 60803 62466 82699 1 1 1 75174 1 73488 75441 Uric acid 132000 1 101064 172461 1 205909 1 173398 1 264962 72570 234894 1 84503 1 210313 60413 270426 114398 264442 67138 224386 66892 170618 61522 213815 70865 213426 52517 281175 62075 142137 1 79710 75779 333544 84647 239028 221164 181157 64639 475696 39607 247555 71422 140162 143957 219048 50007 1 1 285200 89189 263820 266070 Ecgonine 71354 36793 63116 184079 56449 95846 41533 193240 52517 102674 42502 188503 78945 75018 1 90551 32558 92077 56729 142946 51712 95300 36243 91125 40499 73512 26889 102433 26504 90150 29457 120506 44078 52752 50627 52001 1 245144 232009 141739 50978 146433 51152 99269 39421 70042 71293 130622 40694 1 1 138340 56353 248324 247160 246.1161@1.252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C12 H25 N O2 S2 69883 6766 24939 112347 13234 36663 6816 216623 1 52823 146281 61184 18667 71008 1 28182 27298 26714 586434 18501 112445 87210 50656 111127 170385 12665 56549 27285 6334 32660 45534 18711 59861 44014 43346 173121 5714 785040 788907 9876 11469 18049 57456 108930 382638 110711 114584 336008 71514 1 1 144732 330272 648243 650036 C11 H19 N O6 21024 1 1 34712 1 11704 1 59818 1 17028 38103 18865 1 16557 1 8359 7698 8087 136456 6288 29508 27104 1 34651 42059 3456 16771 9153 1 10133 9856 5984 15816 12485 11262 50921 1 186290 183410 3097 1 6161 15630 34758 90965 32485 34447 102326 20168 1 1 45235 79200 151390 146446 Oxalosuccinic acid 7451 1 6689 6813 1 1 1 1 1 12636 3276 7757 1 4967 1 8471 1 12518 3889 12364 3459 1 3532 6718 1 11226 1 9518 2376 12535 3683 4747 1 5316 4822 1 4756 9637 8555 1 1 12964 1 8005 1 1 1 9038 1 1 1 9392 1 8755 7165 Tranexamic acid 19980 1 14909 55474 25676 31947 17330 41321 13721 31855 19730 55970 27623 37739 1 52068 25004 109678 74708 30039 15057 68597 33171 25936 14532 43604 23927 53128 20962 23370 8044 59163 24862 21510 23006 16807 8394 170479 183189 67513 35648 48875 21814 22725 11550 24103 23641 56275 23802 1 1 54502 30244 40954 39479 C4 H9 N S 60631 1 18542 64438 1 80944 20533 80185 1 61535 1 62707 1 14537 1 62613 1 68646 31141 66903 1 54971 1 63359 16199 65141 18624 130386 1 92850 10075 73639 1 1 1 42576 1 63178 84570 62603 22368 80951 1 78515 16379 36630 38387 67668 1 1 1 70991 1 63096 62944 149.0507@1.2571453 78788 1 1 1 1 98669 1 1 1 84782 1 79192 1 1 1 1 1 90409 1 89358 1 1 1 1 1 1 1 157150 1 119030 1 97833 1 1 1 1 1 1 1 92253 1 107544 1 1 1 1 1 1 1 1 1 1 1 1 1 C5 H8 O2 S 38222 8787 1 39916 7176 50531 12312 51457 6345 38350 1 40788 8222 1 1 39254 1 45053 17730 42691 1 36287 1 39627 9532 38610 1 79935 17310 55065 1 46238 7720 1 1 26775 1 38588 37193 40544 1 51532 7447 50246 1 1 1 45411 1 1 1 45230 1 39928 39208 171.1131@1.2327298 1 1 1 1 1 1 1 1 1 1 1 1 7346 1 1 7668 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 84.0213@1.404057 1 1 47835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 350.1515@1.2574508 1 1 1 1 1 1 1 2919 1 1 1 1 1 1 1 1 1 3574 1 1 1 2749 1 1 1 1 1 1 1 1 1 1 1 1 1 9765 1 1 1 1 1 1 1 1 1 1 1 2616 1 1 1 1 1 1 1 L-Glutamic acid n-butyl ester 1929838 590050 1 2791160 758502 1611119 589371 1536766 284394 1399817 571476 3367761 1031262 519214 1 2037226 866683 2778913 1523587 1170281 610739 2430704 1080061 1740368 796407 687928 338735 1439805 387059 2040174 1 1499112 406664 1 1 3791045 1428517 1482156 1538546 1958101 770855 2139147 708551 1873064 752009 1115362 1152751 2388369 725842 1 1 1514404 552242 2369707 3181038 1-Methyladenosine 17757 10350 1 15793 1 14272 8985 1 7976 14746 1 15477 8233 1 1 13793 7692 13962 1 10427 1 13847 1 15537 1 13211 9701 14969 7867 14944 1 16153 9140 1 1 1 1 1 1 15090 9242 16140 10081 15235 1 1 1 1 1 1 1 15570 1 1 1 Bis (2-hydroxypropyl) amine 6672 103025 1 1 85635 1 99464 6976 97148 6978 98170 1 95329 11530 1 1 79474 1 97575 1 111548 1 144101 6369 98336 10664 103944 8709 88072 6995 1 10512 103879 1 1 1 91718 1 1 6614 116767 5270 97681 21844 128962 76961 79058 19831 132241 1 1 21971 127776 1 1 Ile Pro 35790 13870 1 52010 13877 38886 16099 36507 9092 49966 30684 54605 26084 1 1 39037 14727 61105 6409 41842 21754 45217 25854 49532 34323 45363 33502 39034 16901 46391 1 52868 27324 1 1 36419 23421 1 1 77206 53019 65070 23128 80707 47754 76547 82265 73599 24026 1 1 75343 61440 1 1 C9 H21 N O3 18867 23241 1 32979 35789 25885 31104 33638 33513 31017 45451 70895 85580 8482 1 20885 22150 18175 26438 39042 52772 19603 27114 22853 29447 10611 15811 30424 38589 16432 1 42750 60847 1 1 28914 36723 1 1 41232 64965 63845 75452 96275 106502 40915 43465 43653 54789 1 1 77071 97414 1 1 C5 H11 N 11978 29219 1 13038 19906 8987 18075 11411 30509 6526 18730 8590 20518 1 1 9499 16039 13272 11287 8586 1 6543 19722 1 16896 7845 10120 9128 1 1 1 9620 11674 1 1 1 1 1 1 9009 16720 7823 17719 1 19674 15566 16525 10630 23628 1 1 1 18103 1 1 Threonate 59454 104049 1 1 23426 16278 55729 1 10662 19679 33447 17616 1 11265 1 11614 19773 1 1 13860 24493 5944 9087 1 18638 1 16766 1 42686 1 1 23263 39361 1 1 1 27299 1 1 9570 22229 8347 26227 15244 15690 18640 18242 9007 18636 1 1 1 1 1 1 621.0206@1.2522665 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2436 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025@1.292148 641570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 798166 1 1 1 1 833716 673794 1 1 1 1 1 1 499055 424490 1 702727 1 1 1 1 1 1 1 1 1 1 1 293695 1 609.3461@1.309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 168.0297@1.3702759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 225.0973@1.477162 1 1 11053 4895 1 1 1 1 1 1 1 8076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6586 1 1 1 1 1 1 1 16925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19174 1 L-Glutamic acid n-butyl ester + 1.5098839 646681 76793 1279937 940344 91410 455125 60727 557058 45342 502934 58467 1238474 103985 445563 1 681721 129332 1012658 146544 448390 57226 917770 96851 487238 76794 299450 33007 480774 40886 581045 760511 519503 37797 478634 474360 1345450 91249 1463362 1545634 511526 70132 879575 82958 455681 81827 140145 134714 759982 104175 1 1 409258 61143 2323549 2639847 164.0472@1.5961143 26006 1 1 26323 1 17923 1 17818 1 3838 1 29090 1 1 1 18778 1 27624 1 24133 1 1 1 24693 1 1 1 32208 1 29649 1 26091 1 1 1 1 1 1 1 8169 1 27652 1 21356 1 1 1 30005 1 1 1 27190 1 1 1 3-Amino-3-(4-hydroxyphenyl)propanoate 51300 1 1 44317 1 33389 1 41160 1 34983 1 52923 1 1 1 30587 1 36823 1 52180 1 32821 1 29937 1 35292 1 1 1 54398 1 53124 1 1 1 17767 1 1 1 42386 1 64735 1 30252 1 1 1 48324 1 1 1 38987 1 1 1 228.1469@1.5799934 1 1 12098 1 1 1 1 1 1 1 1 1 1 12883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7907 17432 1 5897 7621 19093 1 1 24169 20092 7731 1 1 1 1 1 1 1 1 1 1 1 1 22685 1 145.9949@1.7352518 1 1 1 96913 1 1 1 1 1 1 1 161129 1 1 1 1 1 1 1 1 1 46235 1 1 1 1 1 1 1 1 1 1 1 1 1 361154 1 1 1 22582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 642.0474@1.7240076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.0321@1.7337688 1 1 1 9813 1 1 1 1 1 1 1 17719 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31069 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 760.0431@1.7386147 1 1 1 2860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0647@1.6588385 1 1 1 22510 1 14177 1 12560 1 1 1 1 1 1 1 19065 1 20104 1 7114 1 12133 1 20326 1 1 1 28147 1 20024 1 1 1 1 1 1 1 1 1 16353 1 24646 1 1 1 1 1 24787 1 1 1 16525 1 1 1 527.9897@1.7264366 1 1 1 11709 1 1 1 1 1 1 1 11193 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 394.0212@1.7289424 1 1 1 35385 1 1 1 1 1 1 1 38883 1 1 1 1 1 10067 1 1 1 8788 1 1 1 1 1 1 1 1 1 1 1 1 1 107174 1 1 1 8207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 270.0082@1.7365202 1 1 1 20550 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 85253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.1121@1.762744 1 1 25430 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9383 1 1 1 8913 1 1 18116 9974 1 13063 1 3957 1 41210 40537 1 1 14359 1 1 1 1 1 1 1 1 1 1 1 21839 20323 3-Amino-3-(4-hydroxyphenyl)propanoate + 1.7813773 1 9037 43593 46321 1 1 3973 45356 1 26260 1 72517 7674 40031 1 26588 1 46102 1 52373 1 44809 1 30779 1 25341 6466 79788 5769 52388 29212 36617 4459 34416 33958 37759 1 128567 128676 42566 1 65450 1 20353 1 12767 14123 36695 1 1 1 1 1 122795 124737 203.0555@1.7430135 16990 1 1 23636 1 1 1 1 1 10244 1 34854 1 1 1 1 1 1 1 1 1 1 1 11033 1 1 1 32990 1 17515 3620 8837 1 1 1 22131 1 25442 22737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23975 1 266.0505@1.7729334 1 1 1 8231 1 1 1 1 1 1 1 16157 1 1 1 1 1 1 1 1 1 6418 1 1 1 1 1 1 1 1 1 1 1 1 1 11132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.0308@1.7880255 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 135.0669@1.7747577 20789 1 19023 1 1 18400 1 1 1 1 1 19428 1 18927 1 1 1 1 1 6481 1 1 1 1 1 1 1 1 1 1 1 1 1 14224 15685 1 1 48714 49479 10031 1 1 1 1 1 1 1 1 1 1 1 1 1 44930 1 164.0469@1.756274 8737 1 19910 24220 1 1 1 1 1 13971 1 37111 1 1 1 11033 1 21089 1 1 1 22544 1 13819 1 27213 1 36734 1 4442 11204 24574 1 15408 11457 16989 1 51556 54457 16511 1 1 1 1 1 1 1 1 1 1 1 1 1 46142 47357 247.1412@1.8719828 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9686 1 1 1 1 1 1 1 1 1 1 1 1 1 8661 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14187 16891 142.0251@1.8739883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32471 19279 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1469@1.8868904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 958.9556@1.9219774 1 1 45833 13617 1 1 1 1 1 1 1 12765 1 1 1 1 1 18837 1 1 1 26287 1 1 1 1 1 15646 1 1 51551 1 1 45332 1 1 1 1 31890 26043 1 1 1 1 1 1 1 1 1 1 1 18052 1 18156 1 228.1459@2.012766 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3142 1 1 1 1 1 3278 1 1 1 1 1 1 1 2277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C7 H4 N2 O4 33430 16137 54527 22175 1 23388 1 1 1 25572 1 35176 1 48903 1 29295 6204 21722 1 31741 1 23578 1 20624 1 1 1 23219 1 24860 25688 46798 19711 41931 40923 23994 1 37107 37715 28214 1 1 14021 44460 1 1 1 18195 24542 1 1 78890 23596 30859 32605 311.1113@2.0385118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 153.0757@2.0565457 1 1 1 104009 1 99168 1 79484 1 40231 1 145181 1 1 1 1 1 127637 1 71898 1 42357 1 61652 1 21297 1 132543 1 58957 1 1 1 1 1 206559 1 1 1 50105 1 126689 1 112178 1 1 1 73415 1 1 1 67849 1 1 1 921.0025@2.0379257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148569 1 1 1 1 1 234091 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 460665 1 C5 H11 N + 2.0955465 600844 1 259489 908820 1 896889 1 788891 1 504278 1 1169961 1 256178 1 572098 55674 1083124 28455 761230 28910 534489 1 1 38519 409017 21650 1127200 1 650670 120380 1 18839 141225 140773 1531761 1 653706 652911 624490 41217 1064571 48912 990111 46303 1 1 1 59377 1 1 744417 35410 788278 790486 Isoleucine 1 1 144234 416833 22839 406479 1 359907 1 230919 1 543941 1 163547 1 259922 1 512026 1 1 1 257254 1 324616 1 1 1 537850 1 312109 84194 287733 1 85121 83547 745796 1 427065 426529 287037 1 514683 29333 404031 39600 69579 1 327064 1 1 1 311112 1 544126 540583 153.0756@2.1258206 1 1 16493 1 6370 1 1 1 1 1 1 1 1 13216 1 1 5510 1 4916 1 1 1 1 1 1 7200 1 1 1 1 6714 1 1 8776 1 1 1 66219 67953 1 1 1 1 1 1 1 1 1 1 1 1 1 1 88940 89266 958.9569@2.177152 1 1 58103 13514 1 13711 1 12984 1 11917 1 15959 1 42952 1 16477 1 17086 1 17984 1 9653 1 15755 1 19688 1 17471 1 14739 38645 14415 1 1 1 10249 1 1 1 14916 1 11421 1 11518 1 1 1 15851 1 1 1 11241 1 28420 30412 117.0783@2.1900678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 228.1454@2.2531912 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4179 1 1 1 2726 1 1 1 1 1 7546 1 1 1 1 1 1 1 5345 1 1 1 1 1 1 1 1 1 1 1 1 1 30303 1 142.025@2.195352 1 1 1 1 1 1 1 1 1 1 1 75072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 57474 1 1 1 1 68932 1 1 93732 67417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.1409@2.1827116 1 1 1 1 1 1 1 1 1 1 1 23191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 942.9834@2.127638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6993 1 1 1 1 1 15685 1 1 1 1 1 1 1 12128 1 1 1 1 1 1 1 1 1 1 1 1 1 9453 1 201.1715@2.2105296 18732 13992 1 6186 1 1 1 1 1 1 1 1 1 23644 1 1 2610 1 1 1 1 1 1 5539 1 1 1 1 1 1 9299 1 1 1 1 14461 1 17866 17829 1 1 1 1 8233 1 1 1 114119 26476 1 1 11921 1 30541 32619 921.0025@2.211947 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358552 1 1 1 120135 1 1 1 1 1 85216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494327 1 464.1166@2.2600338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 721.2242@2.272702 1 1 1 2243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 148.0108@2.2831838 1 1 1 1 1 1 1 1 1 1 1 26220 33508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 77138 159483 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16738 377.1357@2.272614 1 1 1 7477 1 1 1 1 1 1 1 8707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 52883 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 230.0765@2.2824516 1 1 1 8150 1 1 1 1 1 1 1 1 1 1 1 1 1 8020 1 13239 1 1 1 6944 1 20428 1 1 1 210589 20315 109774 1 1 1 1 1 14922 12521 1 1 176047 18461 12518 1 1 1 1 1 1 1 16201 1 35760 35215 566.1956@2.2794404 1 1 1 1 1 1 1 1 1 1 1 3366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 727.2396@2.277534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 617.1943@2.2766378 1 1 1 3136 1 1 1 1 1 1 1 4447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.101@2.2997735 1 1 1 1705 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13457 7477 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 638.2242@2.2779078 1 1 1 1514 1 1609 1 1 1 1 1 3768 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 475.1925@2.2553196 1 1 1 11872 1 8368 1 3463 1 1 1 21575 1 1 1 1 1 8867 1 7436 1 1 1 3502 1 1 1 10339 1 6232 1 5579 1 1 1 1 1 3365 4568 5472 1 9725 1 6341 1 1 1 6293 1 1 1 6390 1 3940 1 431.2288@2.2798178 6491 1 1 19413 1 14286 1 1 1 5932 1 36545 1 1 1 5279 1 14426 1 11764 1 8412 1 6186 1 3045 1 17456 1 8393 1 8970 1 1 1 43948 1 12295 12221 7755 1 13208 1 11221 1 1 1 11933 1 1 1 10535 1 16579 16675 413.1195@2.27164 1 1 1 1 1 1 1 1 1 1 1 9100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.1826@2.2798982 5060 1 1 16746 1 1 1 1 1 1 1 17550 1 1 1 1 1 6967 1 1 1 10386 1 1490 1 1 1 1 1 1 1 1 1 1 1 42401 1 1 1 1 1 1 1 1 1 1 1 4536 1 1 1 3806 1 8451 8062 601.2206@2.27924 1 1 1 5524 1 1 1 1 1 1 1 6404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4240 4550 C9 H24 N4 O6 18616 1 5172 48399 1 39569 1 19765 1 14226 1 85621 1 1 1 14203 1 44463 1 22391 1 26152 1 16393 1 9139 1 44923 1 17243 1 1 1 1 1 79406 1 34781 34162 22590 1 35224 1 27960 1 1 1 29575 1 1 1 25912 1 51392 52397 469.1828@2.2764966 1 1 1 5996 1 4222 1 1 1 1 1 11058 1 1 1 1 1 1 1 3849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12853 1 1 1 1 1 1 1 1 1 1 1 2306 1 1 1 1 1 1 1 491.1653@2.2492065 1 1 1 5762 1 3260 1 1 1 1 1 8452 1 1 1 1 1 5587 1 1 1 1 1 1 1 1 1 4951 1 1 1 1 1 1 1 4997 1 1 1 3216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3158 454.1752@2.2817125 1 1 1 5789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6404 1 560.179@2.277056 1 1 1 3219 1 1 1 1 1 1 1 5461 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Leucine 186795 1 54826 429469 14051 283797 1 174963 1 131102 1 662902 1 37369 1 133826 4930 327174 8678 230708 1 252541 1 148117 1 92443 1 307416 1 138617 17562 156204 1 18773 15598 715366 31586 177158 176816 184498 1 240836 5158 229913 1 11614 1 258181 1 1 1 220756 1 280865 280492 328.1344@2.2858765 1 1 1 7171 1 1 1 1 1 4845 1 19558 1 1 1 1 1 8922 1 1 1 1 1 1 1 1 1 6159 1 4826 1 1 1 1 1 17257 1 8622 8370 1 1 4983 1 7275 1 1 1 1 1 1 1 1 1 11781 11581 628.2667@2.2528124 1 1 1 4361 1 3971 1 1 1 1 1 8894 1 1 1 1 1 4085 1 3174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4162 1 1 1 1 1 1 1 1 1 1 1 3002 2948 481.2106@2.2732887 1 1 1 7207 1 5774 1 1 1 1 1 11938 1 1 1 1 1 1 1 4629 1 1 1 1 1 1 1 5059 1 1 1 1 1 1 1 1 1 9834 10082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14472 14727 Isoleucine + 2.3072839 621810 41370 318624 1087934 81825 924906 86814 646778 1 550789 47183 1577754 152819 327153 1 538785 44319 1030602 46282 860948 57209 777505 62512 600377 51143 349000 39626 1080753 67466 733237 194715 708329 1 181766 179301 1761627 150333 1013828 1027094 705705 70554 1001846 69612 755173 60765 136290 129375 770874 80452 1 1 723651 58480 1211862 1257821 C5 H11 N + 2.3083274 1118105 79550 467768 1872100 93819 1667488 105444 1145985 48739 968892 55383 2773171 170961 416682 1 848433 55457 1374161 73929 1400274 66628 1318620 31839 1012532 55859 813841 52017 1821441 80850 1209393 237574 1191356 1 244334 243611 2934906 180901 1248854 1262122 1205460 13022 1650547 79517 1470613 76609 171373 160080 1518879 99573 1 1 1379891 1 1477491 1501357 175.0579@2.2761855 1 1 15804 79090 1 42722 1 1 1 28938 1 113036 1 15020 1 1 1 50189 1 36440 1 52955 1 11053 1 23410 1 1 1 42874 1 1 1 8864 1 150959 18118 34211 34720 1 1 41252 1 34116 1 1 1 1 1 1 1 37888 1 52654 53802 574.1748@2.2740276 1 1 1 4928 1 1 1 1 1 1 1 6178 1 1 1 1 1 1 1 1 1 3150 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 202.0443@2.2921855 1 1 1 1 1 1 1 4631 1 1 1 5692 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025@2.2650688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 318685 1 1 1 74591 1 1 1 1 1 499154 1 1 1 1 1 1 1 784924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 247.1412@2.3106732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14398 1 464.1151@2.2983034 1 1 1 5712 1 1 1 1 1 1 1 7876 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 139.0615@2.319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025@2.3307493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 181488 100759 1 1 1 536668 374320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 942.9817@2.35986 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21806 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13302 1 958.9556@2.459307 1 1 24824 1 1 1 1 1 1 1 1 1 1 26690 1 1 1 32126 1 1 1 13151 1 1 1 1 1 13119 1 1 58831 34068 1 18089 1 1 1 1 51339 27853 1 1 1 1 1 41350 1 19909 1 1 1 1 1 34154 48878 921.0025@2.5188742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 504709 1 1 1 1 1 117442 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025@2.700343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169744 1 1 1 79956 308137 1 1 1 1 1 1 1 493563 1 1 1 1 1 1 1 1 1 1 1 1 1 492131 1 821.0066@2.7160459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14294 1 1 1 1 1 1 11265 18104 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C6 H15 N O 102501 127412 187154 1 138332 1 117180 100905 131461 99040 130017 1 129993 191641 261134 94693 97856 101763 42695 96961 138180 76432 132484 99855 129468 93631 145101 1 143747 101416 128809 100686 135800 162725 216397 1 118339 168366 174121 100575 101485 1 121321 88804 135483 227165 215593 107861 232334 265868 419764 1 133426 172538 163569 162.1139@2.7660944 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3-methyl valeric acid 4373 73723 52867 1 68878 1 67827 1 78355 4759 71304 4639 76409 66079 59546 1 69733 5827 70268 4993 87382 1 76929 4466 76750 1 74979 1 74276 5734 72559 1 77042 43871 52621 1 72557 47566 45487 5726 74814 1 73520 1 71593 61879 60537 5335 75765 56765 60020 1 73899 44069 42883 228.1463@2.7748406 1 1 1 10194 1 1 1 13565 1 29405 1 20215 1 11496 1 15045 1 30211 1 1 1 1 1 22363 1 17862 1 9728 1 20371 1 15123 1 1 1 14542 1 28543 45314 34285 1 31885 1 1 1 1 9987 1 1 1 1 30832 1 43508 1 122.0715@2.7597609 1 1 1 1 1 19074 1 13997 1 1 1 22317 1 1 1 11704 1 18422 1 15842 1 17833 1 16096 1 11184 1 14284 1 18722 1 22079 1 1 1 15461 1 1 1 20778 1 18135 1 21378 1 1 1 10876 1 1 1 23072 1 1 1 279.0822@2.7655156 5845 1 1 7639 1 3792 1 5534 1 4352 1 5887 1 1 1 1 1 5265 1 1 1 1 1 1 1 4172 1 5600 1 6952 1 6600 1 1 1 6088 1 10674 10599 4238 1 6929 1 1 1 1 1 5888 1 1 1 5468 1 9682 9705 135.0334@2.7815208 1 1 1 1 1 26750 1 1 1 1 1 23478 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44642 11378 1 1 1 1 1 1 1 1 1 1 1 1 37954 1 158.0659@2.770019 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 240.146@2.7650797 7781 1 1 9367 1 1 1 10874 1 5772 1 10051 1 1 1 1 1 7973 1 9937 1 1 1 8848 1 3595 1 10824 1 1 1 10608 1 1 1 5486 1 13624 19585 14206 1 12571 1 13519 1 1 1 12303 1 1 1 1 1 11824 11765 N-Methyl-2-pyridone-5-carboxamide (Nudifloramide) 22068 1 27202 43561 11213 56497 21136 18243 1 45457 16681 43744 15687 32132 1 18132 9895 43513 15734 38831 1 45105 16537 28602 1 34451 11270 37500 12394 49404 36358 40362 13483 26157 27416 32335 11254 34094 34290 96027 38240 47138 19802 40512 13914 30269 30672 57828 23034 1 1 30803 11183 84654 86723 442.1194@2.7786305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 N-Methyl-2-pyridone-5-carboxamide (Nudifloramide) + 2.7980347 60345 25464 66268 119140 40007 171155 54839 46410 14655 128216 45607 125492 40035 73605 1 47531 15588 120715 40478 104570 29209 126167 42636 75356 24419 94029 27168 106287 28326 130892 97066 107583 31801 59117 59711 90509 27810 86728 84235 271153 98850 135256 50721 108130 35723 70499 66911 166155 60911 1 1 86481 27938 228646 234587 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid 37866 1 3533 15021 1 6395 1 8593 1 6308 1 15082 1 6635 1 8778 1 15117 1 8852 1 9796 1 15729 1 22201 1 27850 1 31907 7333 18680 1 1 1 32098 1 6832 6469 12748 1 13665 1 17682 1 1 1 5548 1 1 1 5772 1 8164 8359 326.0977@2.7910988 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 169.1193@2.7925322 1 1 1 7725 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7820 1 6830 1 1 1 1 1 1 1 1 1 1 1 9508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 145.0733@2.8091931 1 1 2952 1 1 3326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4328 1 1 1 5204 1 5813 1 1 1 1 1 6411 1 4913 1 6018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5563 229.1484@2.813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 165.0446@2.814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C12 H21 N O6 21725 1 5906 16964 1 13226 1 24915 1 29541 1 60871 1 8423 1 15298 1 35214 5900 26644 1 37643 1 18752 1 17955 1 27179 1 30854 7987 21069 1 7250 1 21940 1 37729 49327 19936 1 33055 1 21054 7776 1 1 33495 1 1 1 25951 1 42924 58698 226.1674@2.868437 1 1 1 4494 1 1 1 1 1 1 1 1 1 6646 1 1 1 1 3442 1 1 8757 1 1 1 1 1 1 1 1 1 1 1 1 3013 13642 4380 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3543 3299 256.1013@2.866268 1 1 1 4164 1 1 1 3128 1 3039 1 4598 1 1 1 1 1 1 1 1 1 1 1 4123 1 1 1 1 1 1 1 1 1 1 1 3863 1 2624 1 1 1 4600 1 1 1 1 1 1 1 1 1 1 1 1 1 292.066@2.8757854 6207 1 1 1 1 1 1 7099 1 6454 1 6712 1 1 1 1 1 1 1 1 1 3969 1 1 1 1 1 3858 1 6319 1 1 1 1 1 5042 1 11340 10922 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16657 16890 164.0704@2.88 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C10 H19 N O4 108476 49979 70631 226346 82250 240091 73164 261910 85255 224769 79711 187262 55675 161595 1 233684 114458 193960 65135 300820 74253 234543 70617 125336 39908 133909 32017 292923 58918 268232 103166 149049 36483 86079 84803 107923 26639 382653 375962 262045 71704 543857 53184 213631 69842 197861 229707 261993 103856 1 1 172253 53153 315685 312637 259.141@2.9272952 3381 1 1 1 1 1 1 16396 1 5412 1 6544 1 1 1 4562 1 3649 1 5068 1 3320 1 2164 1 1 1 37949 5106 5443 1 8140 1 1 1 1 1 1 4440 16152 1 8487 1 5969 1 3067 1 1 1 1 1 5343 1 1 1 270.0672@3.0146806 11570 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C6 H14 O4 38778 1 1 1 1 29621 69766 41423 25051 41169 77718 38029 76312 47449 1 40047 20700 34532 33098 1 1 32214 74436 30495 74175 73106 1 1 1 48313 9803 1 19227 57743 56259 32692 76066 53341 1 37452 80335 40353 53313 34098 74675 51790 57149 1 60830 121862 213211 1 76296 44482 39529 159.088@2.9456666 4734 1 1 1 1 1 1 10702 1 1 2346 4860 1 1 1 1 2327 1 6796 1 1 1 5703 1 1 1 1 6957 1 7504 8699 1 1 1 1 3754 1 10812 10800 7876 1 9059 8517 1 1 1 1 1783 7591 1 1 1 1 1 1 Pinacidil-N-Oxide 6160 1 3256 30340 5855 13914 1 19881 15044 16149 1 29174 4130 7013 1 10090 3173 19618 1 17356 1 18446 1 19237 1 8930 1 9985 1 17064 4423 12585 1 3966 1 17528 1 19412 19382 1 1 26361 5329 15215 1 1 8766 21366 1 1 1 14408 1 15035 15620 110.0832@3.0216475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20993 1 1 1 1 1 1 1 1 1 10613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6474 1 1 1 1 1 1 1 179.0936@3.0232882 1 1 1 1 1 4936 1 1 1 1 1 5563 1 1 1 1 1 5448 1 7298 1 4631 1 4318 1 2690 1 1 1 1 1 1 1 3784 1 1 1 7347 1 1 1 7993 1 1 1 5580 1 1 1 1 1 1 1 5496 5728 222.0983@3.0260398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4495 1 1 1 1 1 1 1 1 1 1 1 3310 1 166.0502@2.9775658 4718 1 1 1 1 1 1 7241 1 8537 6790 3702 1 1 1 1 1 9951 1 4658 1 1 1 1 1 1 1 1 1 1 1 6775 1 1 1 8177 1 5045 5158 1 1 7475 4539 3366 1 8572 7913 1 1 1 1 1 1 1 1 304.0773@3.049991 1 1 1 1 1 4458 1 7262 1 5316 1 5538 1 1 1 1 1 4286 1 1 1 1 1 4423 1 3530 1 4366 1 5365 1 1 1 1 1 7616 1 6322 6469 4113 1 7375 1 4483 1 3590 1 1 1 1 1 3986 1 6056 7126 150.0886@3.0812209 1 1 1 1 1 23247 1 1 61393 1 1 1 1 50168 1 1 30675 1 54868 1 70665 1 101399 27107 100761 1 106706 1 97723 1 91149 1 99736 46078 41484 1 104119 1 1 26900 78846 1 92673 1 100526 59974 44594 1 102399 1 1 1 79720 30113 26989 246.1229@3.0809674 1 1 1 3281 1 1 1 3377 1 1567 1 3833 1 1 1 1 1 1 1 2194 1 2677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3311 1 1 1 1 1 1 1 1 1 2026 1 1 1 110.0833@3.0788703 1 1 1 54321 1 1 1 1 1 26599 1 1 1 1 1 22798 1 38697 1 1 1 1 1 48287 1 1 1 1 1 34526 1 1 1 1 1 45479 1 1 1 38825 1 1 1 42084 1 1 1 38459 1 1 1 1 1 1 1 C4 H8 N6 O2 1 10016 1 1 33943 1 19687 1 1 1 24832 1 38064 24742 41236 1 17540 1 6747 1 20695 1 22466 12214 26197 1 1 1 28388 1 1 1 1 13452 20633 1 20761 21628 1 1 38158 14696 1 1 22108 1 16428 1 1 38406 69094 1 31173 17978 1 208.0846@3.128152 7723 1 1 8773 1 1 1 12110 1 13822 1 1 1 1 1 11817 1 1 1 9742 1 11105 1 10204 1 11156 1 13649 1 18775 1 9927 1 1 1 10925 1 24129 21847 8731 1 17675 1 8418 1 1 1 1 1 1 1 11093 1 16382 17091 230.0681@3.1481009 1 1 1 5468 1 1 1 6226 1 1 1 7974 1 1 1 6926 1 6492 1 5238 1 5968 1 5839 1 1 1 7634 1 1 1 7260 1 1 1 5063 1 7946 7647 1 1 9735 1 5762 1 1 1 1 1 1 1 6857 1 6011 5426 802.208@3.1605163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1515 1 1383 1 1 1 1233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 796.2226@3.1580849 1 1 1 1 1 1 1 1 1 1 1 1140 1 1 1 1 1 2272 1 1 1 1 1 1 1 1127 1 1243 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 943.2271@3.1614778 1156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1132 1 1429 1 1 1 1 1 1 1 1 1 1 1 1 1 1254 1 1 1 1 1 1 1 1 1 1 1 918.2301@3.1601636 1503 1 1 1572 1 1 1 1692 1 1 1 1419 1 1 1 1 1 1 1 1 1 1064 1 1 1 1 1 1414 1 1 1 1685 1 1 1 1 1 1 1 1168 1 1560 1 1 1 1 1 1 1 1 1 1 1 1 1 533.1802@3.1622717 1584 1 1 2298 1 2355 1 2406 1 2044 1 3593 1 1 1 1 1 1 1 1 1 2021 1 2315 1 1 1 3240 1 3121 1 3275 1 1 1 1 1 3682 3542 1806 1 2447 1 2620 1 2243 1 2398 1 1 1 1 1 3218 3353 577.1476@3.1628828 3159 1 1 4212 1 4295 1 4881 1 4122 1 1 1 1 1 1 1 1 1 1 1 3614 1 4233 1 3457 1 5631 1 4999 1 5217 1 1 1 1 1 1 1 1 1 1 1 4372 1 1 1 3705 1 1 1 1 1 1 1 C7 H6 O 19468 1 9918 22379 1 1 2756 23048 1 19797 1 1 7028 7496 1 1 1 1 1 1 1 18856 1 1 6015 18760 1 1 1 1 5962 22236 1 4661 5997 1 1 24487 21053 1 1 1 1 25568 5175 16135 16579 22893 1 1 1 21332 1 18811 20612 776.2458@3.1631742 5428 1 2470 6665 1 6098 1 1 1 6644 1 8329 1 1 1 5043 1 1 1 1 1 1 1 6657 1 6194 1 1 1 1 1 1 1 1 1 6297 1 1 10665 1 1 7881 1 6780 1 4886 4749 6938 1 1 1 6132 1 1 10518 957.2792@3.1623292 1235 1 1 1471 1 1 1 2159 1 1575 1 1 1 1 1 1 1 1443 1 1 1 1 1 1 1 1 1 2048 1 2369 1 2382 1 1 1 1740 1 3400 3642 1869 1 2610 1 1 1 1264 1 1 1 1 1 1 1 1 3419 C19 H41 N5 O10 S3 6336 1 3009 6689 1 7402 1 8273 1 6988 1 7466 1 1 1 7618 1 7339 1 8031 1 6758 1 7156 1 6956 1 6855 1 7888 1 7546 1 1 1 8265 1 8982 9090 8256 1 7612 1 6917 1 1 1 6962 1 1 1 7902 1 10291 9495 798.2297@3.1597352 1 1 1 2361 1 2408 1 2694 1 1 1 1 1 1 1 3098 1 1 1 1 1 2374 1 2320 1 2571 1 2315 1 2443 1 1 1 1 1 2865 1 1 1 2430 1 2416 1 2279 1 1 1 2358 1 1 1 2681 1 1 1 102.0461@3.1692271 21564 1 25415 29373 14281 31515 15873 33434 13287 31706 19000 36769 21185 18551 1 1 9406 27353 14332 31028 15539 28444 1 29675 17426 27842 1 34816 1 37462 14656 37351 13659 15621 15911 26287 19493 55882 55062 1 17099 34776 16177 27988 1 44771 46706 31045 1 1 1 27540 11413 51268 52966 C7 H13 N3 O2 469504 242508 281511 460521 178366 452495 246016 497629 147328 472509 1 462075 219032 244735 1 484588 253068 489610 326075 479396 1 474491 1 466906 209917 486394 1 483247 1 506175 178023 508950 1 171971 175240 510421 1 553538 545035 508316 287116 503078 174252 446339 1 408565 421252 462330 1 1 1 455516 1 558742 555560 Phenylalanine 443070 231719 299490 491044 200289 516865 285078 559938 175898 509224 250603 619682 302495 242045 1 318526 173721 472383 227512 520893 173180 481815 231073 508477 237666 494311 184250 617877 197833 631610 216691 638861 238888 180841 180146 437762 213907 779946 781523 501946 292377 620428 218555 499826 211488 603415 617481 484125 173941 1 1 423316 223070 744319 748854 912.2102@3.160661 1868 1 1 1603 1 1 1 1 1 1631 1 1 1 1 1 1 1 1138 1 1539 1 1336 1 1025 1 1 1 1 1 1956 1 1887 1 1 1 1426 1 1 1 1 1 1628 1 2064 1 1 1 1 1 1 1 1810 1 1 1 C20 H35 N9 O5 S2 5100 1 1 5711 1 5565 1 6255 1 5946 1 6130 1 1 1 5707 1 5754 1 5451 1 5346 1 6314 1 5887 1 6258 1 5718 1 5914 1 1 1 5520 1 5836 5516 6088 1 5657 1 5755 1 3646 3678 5917 1 1 1 6116 1 5781 5301 C17 H23 N17 O4 S 5568 1 2708 6534 1 6842 1 8111 1 6573 1 6815 1 1 1 4209 1 6150 1 7030 1 5727 1 6504 1 6344 1 7319 1 7553 1 7188 1 1 1 5292 1 7056 6821 6332 1 7605 1 7107 1 4465 4597 6518 1 1 1 5816 1 6205 6505 C15 H12 N10 O4 9629 1 3538 3941 1 4087 1 4513 1 4169 1 4928 1 2827 1 1 1787 3398 1 3866 1 3433 1 3759 1 3675 1 4858 1 13980 1 5275 1 2225 2075 2622 1 5141 10519 1 1203 4898 1 3777 1 3497 1 4045 1 1 1 3195 1 5206 4440 C9 H6 O 15801 5191 7611 18617 1 18488 1 20372 1 18648 1 20939 1 1 1 10410 1 16268 1 18291 1 16086 1 16767 5525 16677 1 21779 1 18872 4947 22154 1 4428 1 14501 1 18170 18324 16506 1 20508 1 20261 1 13768 14146 18918 1 1 1 16018 1 16382 15926 790.2225@3.1601284 1 1 1 1 1 5371 1 5846 1 5895 1 1 1 1 1 1 1 1 1 6074 1 5851 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1305 1 6667 1 5615 1 1 1 1 1 1 1 1 1 1 1 358.1581@3.161639 4419 1 1 4696 1 1 1 5304 1 4252 1 5253 1 1 1 1 1 4757 1 4650 1 4202 1 4654 1 4386 1 5065 1 5194 1 5155 1 1 1 1 1 4894 4763 4592 1 5156 1 4399 1 1 2294 4229 1 1 1 3641 1 4672 5072 928.2255@3.1618087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1260 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C6 H9 N3 O4 99231 28792 41887 110726 21328 115863 32166 125895 17459 114593 26133 141548 33903 27377 1 72340 20400 103160 24972 115433 14561 104921 22407 109147 23224 105069 17315 133544 17193 138416 24434 138965 17147 19388 19845 98849 21031 128238 130518 111338 26835 133447 23260 113132 22296 79018 77586 110448 18278 1 1 96289 20652 120560 119482 773.2308@3.1610844 1231 1 1 1 1 1 1 2365 1 1 1 1 1 1 1 1 1 1974 1 1 1 2304 1 1 1 1 1 2867 1 1 1 1 1 1 1 1 1 1 1 2314 1 3259 1 1 1 1 1 1 1 1 1 1 1 1 1 782.2604@3.1603355 4506 1 1 4888 1 3961 1 1 1 4037 1 1 1 1 1 4165 1 5994 1 4199 1 3841 1 1 1 5611 1 1 1 1 1 4636 1 1 1 4281 1 1 1 4765 1 4913 1 1 1 2210 2169 4287 1 1 1 4970 1 1 1 C8 H7 N3 O4 19087 7082 10681 23689 1 22841 9868 24438 6278 22372 9382 28168 1 9061 1 16477 6340 20837 8804 21630 1 20569 9021 21918 9493 21851 7220 26021 11636 25030 1 27244 11223 7808 7592 20470 9578 22911 25636 22892 11841 25218 1 22658 1 19354 19695 22867 1 1 1 19499 1 24341 23758 DL-Ornithine 35326 15188 18356 37114 1 34129 1 37480 1 36280 1 35696 1 14047 1 36980 1 34360 7978 35027 1 33700 1 35781 13144 36969 1 34737 10019 38130 1 36313 1 1 1 36765 1 29477 29904 38065 13224 37580 1 35359 1 25289 23749 39522 1 1 1 37191 1 29335 28154 C18 H33 N7 O10 S 5413 1 2498 6045 1 6587 1 7329 1 6409 1 7995 1 1 1 4049 1 5861 1 6558 1 5943 1 6241 1 5655 1 7009 1 7883 1 7629 1 1 1 5105 1 7534 7076 5831 1 7062 1 6916 1 4426 5055 6122 1 1 1 5393 1 7165 7332 C11 H22 N4 O12 5796 1 1 7058 1 6230 1 6928 1 5818 1 6718 1 1 1 5336 1 6096 1 5524 1 6030 1 5537 1 5789 1 5980 1 6777 1 6620 1 1 1 5749 1 5741 6411 6385 1 6941 1 6483 1 1 1 6186 1 1 1 5917 1 5761 5969 C18 H29 N15 O3 S2 7749 2288 1 6501 1 6257 1 6959 1 6343 1 6752 1 1838 1 5847 1 6788 1 6414 1 6418 1 6528 1 6054 1 6473 1 1 1 6391 1 1 1 6747 1 5816 5723 6620 1 7162 1 6752 1 4337 4432 6436 1 1 1 6243 1 6548 5765 Cinnamic acid 37719 12660 18226 39712 11150 40258 4576 46267 11615 40346 14428 50932 16357 13359 1 25279 10212 36181 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1 1 3271 2766 974.2729@3.1610415 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2824 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 925.2349@3.161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C18 H35 N7 O11 S2 9934 1 5092 13343 1 13053 1813 1 1 1 1 1 1 4449 1 10654 1 13038 1 12515 1 1 1 12930 1 12724 1 14929 1 14901 2489 1 1 3042 1 11673 1 18672 18524 1 3670 15530 1 1 1 9213 10121 12062 1 1 1 11924 1 18237 17949 764.2093@3.162719 1 1 1 1978 1 2091 1 2298 1 1 1 1 1 1 1 1 1 1 1 1890 1 1 1 2163 1 2002 1 3015 1 1 1 2669 1 1 1 1 1 2866 1 1 1 2632 1 1 1 1 1607 1989 1 1 1 1520 1 2519 1 989.2637@3.1613665 1 1 1 1362 1 1 1 1735 1 1 1 1 1 1 1 1 1 1 1 1 1 1183 1 1 1 1081 1 1 1 1 1 1 1 1 1 1 1 1 2773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 770.2256@3.1629567 1 1 1737 4617 1 5138 1 6143 1 5049 1 1 1 1 1 2790 1 4805 1 5072 1 4980 1 1 1 4722 1 6366 1 6532 1 1 1 1 1 4255 1 1 1 4220 1 1 1 1 1 1 4431 5373 1 1 1 4659 1 1 1 489.6344@3.1611412 1 1 1 1 1 1 1 7098 1 1 1 1 1 1 1 1 1 1 1 6506 1 7507 1 1 1 6928 1 1 1 7991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5467 1 1 1 887.7623@3.163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.0762@3.170992 2992 1 1 3838 1 4233 1 1 1 7174 1 4744 1 1 1 3545 1 1 1 1 1 4669 1 5858 1 4672 1 3816 1 7919 1 4312 1 1 1 6363 1 7906 8293 4260 1 7832 1 5460 1 1 4057 3986 1 1 1 1 1 1 1 C15 H13 N O2 10404 8209 12003 36966 22679 30587 23799 12942 7149 28405 26318 46272 37909 34303 1 8445 5988 53538 38836 40078 26541 40383 33102 41279 34200 23973 18615 24175 15809 12841 8388 40021 30913 25063 26482 10925 7974 33520 32665 18647 17953 26064 20456 23528 17944 32404 32945 32506 23437 1 1 31047 26485 31581 31283 99.1018@3.2458327 5699 4263 15694 22760 39741 1 27357 1 21283 6700 10924 1 19611 1 1 1 1 1 1 4949 1 1 3200 1 1 4869 1 1 1 1 1 9186 9647 1 1 56729 1 1 1 1 10415 1 1 1 8016 5887 1 1 1 1 1 10381 12351 1 1 289.1512@3.2460015 8552 1 1 6688 1 4479 1 7411 1 4997 1 10300 1 1 1 8226 1 9909 1 7410 1 1 1 6313 1 4975 1 8201 1 1 1 3845 1 1 1 13996 1 7222 7236 3984 1 63692 1 6084 1 1 1 8325 1 1 1 1 1 10278 1 195.1203@3.3090062 1 1 1 1 1 1 1 1 1 1 1 18393 1 1 1 1 1 17650 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30176 1 1 1 1 1 1 1 1 1 13487 1 1 1 C6 H12 N6 O3 1 74880 1 1 20189 22413 13407 26154 50625 1 23837 1 1 83596 1 13325 20639 1 34031 1 120805 1 116355 1 114387 1 120555 1 112133 32162 1 18957 113117 1 1 19879 112439 1 1 1 113678 18001 83439 21134 96128 1 77626 1 38521 1 1 17396 112425 1 35409 176.1044@3.3303382 1 1 1 1 4205 1 1 1 1 1 1 1 1 1 15280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4051 1 1 36668 1 1 1 1 1 1 1 11287 1 1 1 1 1 1 1 1 C5 H9 N O 5648062 6646345 138703 145168 144032 327114 370412 348041 244779 55945 52610 1166385 1395251 864550 1 513233 339697 75665 62077 173126 150704 137386 107876 916622 724888 52520 50873 102826 117016 2546492 1472043 28681 30076 546564 594257 172233 174824 66631 63533 48283 66137 242117 241738 192467 164686 316658 284383 738836 632657 1 1 252708 222210 521954 575983 230.0753@3.214756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1964 36092 15717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 208.095@3.3131335 1 1 1 4077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 162.0881@3.3207939 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 190.0853@3.317 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 252.0592@3.3235083 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 358.1875@3.33 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Theophylline 292384 258102 27020 44391 31782 222389 196783 157532 101081 1282349 1263519 227173 199946 395990 1 160481 134800 400805 399723 734131 722745 40365 38800 203895 186601 384483 346228 223464 193982 53820 38014 135437 133201 93594 93026 333628 289055 699730 699240 26359 30023 555369 486578 187443 160433 980546 987935 99157 78494 1 1 229249 218381 119178 121442 234.0752@3.3223526 1 1 1 1 1 1 1 1 1 4470 1 1 1 1 1 1 1 14166 1 1 1 1 1 1 4827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10398 1 1 1 1 1 1 1 1 1 289.1516@3.3441525 1 1 1 1 1 9601 1 10376 1 18856 1 7246 1 1 1 5991 1 8055 1 4964 1 6414 1 12000 1 25209 1 7705 1 6921 1 9796 1 1 1 4285 1 38527 38061 1 1 6064 6291 3683 1 1 1 6885 1 1 1 3584 1 4501 10067 241.0934@3.3355339 5753 10865 1 1 1 1 1 1 1 1 1 1 2361 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2976 1 1 1 1 4132 1 1 1 3554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2950 Pantothenic Acid 1 3219 1 5335 2875 5539 2582 5427 1 5009 1 6817 5760 1 1 4415 1 1 3553 5078 1 5180 1 1 1 7193 4217 4863 1 3734 2000 4638 1 1 1 7284 1 5173 1 13002 9537 7126 4411 4744 1 4238 1 4981 3390 1 1 5601 1 14201 15333 C6 H12 N6 O3 + 3.3953266 1 49273 71723 1 83760 34072 38694 21107 57728 1 96674 1 75448 70140 1 34108 22845 66836 46656 1 43797 72061 51705 1 51405 36644 47505 1 43694 50505 118947 68099 39006 1 1 40556 44881 63156 1 1 50433 42286 53953 29380 48165 76872 41606 1 87578 1 170394 34622 51653 67782 48508 C12 H21 N S 1 1 1 17696 37013 1 24865 1 29483 1 22637 1 31649 1 37676 1 30417 1 23113 1 24716 1 53468 13083 40111 1 23715 1 41925 1 46985 7331 20841 39518 55665 14686 20966 16888 35609 1 25961 1 42343 12621 27498 1 22738 13846 57994 45899 76384 1 26337 1 1 C8 H18 O5 533447 555528 1 414083 256421 507334 279942 522779 308956 254067 344121 539034 380414 20721 1030013 1 427201 1 286918 263007 308078 379856 826744 1 817033 1 305344 1 294168 1 1236164 8948 309729 22595 1 304660 296698 658851 1 534340 384488 1 794908 1 370413 288678 273593 1 464280 1013924 1083002 514219 336933 622167 1 Acetoin 1 1 1 36639 20946 1 51587 76527 79065 1 42623 43436 59224 1 1 66526 23895 18033 62228 1 84953 1 69461 26339 91868 46147 100741 1 65100 43618 1 51857 82229 26966 63382 36846 70841 40499 38675 21690 92633 1 1 35431 38331 35022 1 44367 73677 116955 148111 52673 79681 43114 1 224.0652@3.4087212 15538 1 1 98745 10160 1 1 26128 1 10560 1 24987 26382 1 1 1 1 13518 9835 1 1 385905 1 50190 1 1 1 1 1 1 1 4911 1 1 1 388010 1 58291 56971 11632 1 1 1 4677 1 1 1 61665 1 1 1 12478 1 215707 206898 227.1128@3.4115033 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C4 H8 N6 O 1 1 6391 1 1 6778 2335 11937 12760 8380 1 1 7025 4039 1 1 1 1 1 1 1 1 1 3481 1 1 7818 7072 10503 10755 1 1 1 1 1 1 1 1 1 42938 37375 1 1 1 4202 1 7360 12164 1 1 1 28242 13637 1 1 246.1205@3.535554 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C7 H10 N8 5214 5836 5195 1 2716 2546 1 1 2643 1 1 1 1 6213 1 1 2807 1 1 1 6591 3991 1 1 1 1 3364 1 1 5600 6147 4051 5081 3474 1 4978 6174 1 1 5132 7591 6577 1 1 4099 1 6182 5086 5523 1 1 3700 1 8142 8317 242.1739@3.493432 1 1 1 1 1 3154 1 1 1 2965 2077 2454 1 4461 1 2974 1 1 2293 1 1 1 1 1 1 6213 1 1 1 2569 1 1 1 1 1 2467 1 2313 2441 1 1 3131 1561 3549 1 3848 3508 3263 1 1 1 1 5743 3053 2331 C9 H16 N2 O2 103399 114744 107265 72744 64760 55427 65533 69572 58506 70360 84851 72206 83990 116737 1 62899 64745 66425 78747 118958 147802 131003 151323 36131 41343 67531 78772 99822 109776 161543 152296 102065 118678 73539 70236 113288 134865 89405 87963 134546 183018 191339 218605 82675 91143 136119 135069 138834 144625 1 1 92219 109952 171480 174291 125.0834@3.5834298 1 20067 21346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23862 1 1 1 1 1 1 1 1 1 27451 1 1 1 1 1 1 1 16211 1 32507 1 37444 1 1 24235 24514 1 27478 1 1 1 1 29597 30223 C11 H21 N O4 44671 30283 55878 194314 104631 76086 51632 226134 109782 122706 94847 62788 42890 53848 1 19969 14175 50054 49738 71770 55250 71835 53408 16469 12215 77286 56355 165342 102590 86446 52333 71191 47682 59779 61999 59335 44000 130163 123218 90215 74310 104658 68080 97891 67154 81683 83625 69159 43370 1 1 96349 75829 70396 65776 301.1866@3.5398614 6959 1 1 7493 3444 1 1 1 1 1417 1 1 1 1 1 6215 3852 5149 1 3757 1 6229 1 1 1 1 1 3996 1 1 1 3460 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5468 1 1 1 C4 H8 N6 O + 3.6249673 5338 5050 1 1 13558 19774 1 31577 35032 14789 14663 7540 1 1 1 19194 16633 8347 2991 9166 9576 1 8435 1 1 1 22851 14578 27065 31379 3521 1 7680 15563 17974 1 18027 1 1 93280 95410 4350 9129 29985 10474 1 14093 33909 15804 1 37884 59904 27249 2379 1 283.1259@3.6086853 1 1 5448 1 1 1 1 1 1 7444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2689 1 1 1 1 1 1 1 1 2222 1 1 1 5935 1 1 1 1 288.0803@3.6155176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 256.0925@3.630724 1 1 1 6335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 884.2747@3.628707 1 1 1 1 1 1301 1 1385 1 1171 1 1489 1 1 1 1 1 1 1 1451 1 1038 1 1 1 1 1 1413 1 1761 1 1 1 1 1 1 1 1788 2084 1292 1 1839 1 1 1 1 1 1466 1 1 1 1 1 1 1 926.2582@3.6330283 2391 1 1 2254 1 1 1 2933 1 1 1 1 1465 1 1 5145 1 2734 1 1 1000 3157 1 3194 1 3113 1 1 1 1 1 1 1 1 1 2904 1 8046 1 1 1 1 1 1 1 3347 1 4027 1 1 1 4376 1 5217 1 815.7019@3.6266878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2350 1 1 1 1 1 1 1 1 1 3128 1 1 1 1 1 1 1 1 1 1 1 3446 1 1 1 1 1 1 1 1 1 1 1 1 1 932.2405@3.6267474 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1585 1 1 1 1 1 1 1 1 1 1 1 2663 1 1 1 1 1 1 1 1 1 1 1 3226 1 1 1 1 1 1 1 1 1 1 1 1 1 C33 H46 N2 O3 S5 2506 1 1 3700 1 5386 1 4680 1 5595 1 7402 1 1 1 4555 1 4761 1410 5671 1423 4754 1 3584 1 4061 1 6989 1 7914 1864 6273 1220 1 1 2883 1 6951 7044 5089 1 10066 2386 4140 1 3524 3514 6588 1 1 1 5404 1 3996 3735 ethotoin 231637 135730 214623 319305 140097 391355 243116 391116 134037 386705 232093 559616 303485 271217 1 344978 213492 373897 294244 537492 307683 371158 216419 353095 200147 318750 194234 534001 272493 642431 250176 472039 228464 129313 129512 293883 191353 695663 697270 383273 286738 672129 304883 349356 182101 464079 468488 480545 204925 1 1 393193 251865 428007 424416 923.7598@3.6280262 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 204.209@3.6328588 1 1 1 1 1 6743 3693 6207 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4958 1 9724 1 1 4108 8354 1 1 1 4587 1 1 1 1 1 1 1 1 1 8584 1 1 1 1 1 1 1 7036 1 C19 H22 N6 O6 26540 2646 7558 39466 1 51121 9356 49732 2511 53361 9023 78756 14661 8742 1 45909 8400 50946 14963 72003 12040 47940 6978 45194 7026 36371 4738 73712 11100 87507 10809 63965 8569 2167 2313 32818 5539 68494 65978 47389 11248 100315 17369 44839 5083 30294 31406 65151 5899 1 1 53413 11055 31912 30267 C45 H30 N2 O S3 2046 1 1 2669 1 3131 1 3239 1 3594 1 5477 1 1352 1 3592 1 4225 1 5332 1 3707 1 4039 1 2851 1 5417 1169 5802 1109 4709 1 1 1 3547 1 2473 2202 3018 1 5091 1 3251 1 2948 3020 4464 1 1 1 4392 1 1696 1 Indoleacrylic acid 235088 106223 192945 313059 107584 359140 178926 362307 99563 352953 171783 485198 214936 207009 1 317350 153580 336195 209664 459929 224128 334255 162379 320157 148276 294338 145216 448182 202407 515395 182146 405134 171776 110681 109900 271489 144416 475132 473815 342805 211042 529979 214517 357878 140013 338067 346776 460479 154780 1 1 391779 186645 304114 300114 C36 H36 N2 O7 S2 3139 1 1842 4319 1 5429 2078 1 1 1 2093 1 2946 2342 1 1 1984 1 2960 7009 2870 4560 1861 4560 2234 4331 1 1 2611 1 2642 1 2126 1 1 3434 1708 1 1 4531 2750 1 3467 4894 1 1 4799 1 1560 1 1 5836 2267 4134 4055 689.1922@3.6283066 1 1 1 1 1 1 1 1 1 1 1 3901 1 1 1 1 1 3014 1 1 1 2825 1 1 1 1 1 1 1 1 1 3814 1 1 1 1 1 1 1 2783 1 5183 1 2482 1 2460 1 1 1 1 1 2615 1 1 1 468.1119@3.6439052 1 1 1 10339 1 11173 1743 1 1 10982 2127 1 3517 1 1 11151 2072 1 4177 1 1 10216 1813 1 1 9805 1965 1 1 1 1 1 1639 1 1 9344 1406 10793 1 1 1 1 1 12122 1 8903 1 1 1 1 1 5901 1737 1 1 Tryptophan 118992 30959 59658 174887 27473 211605 63419 205264 25431 239205 72300 300595 89242 67504 1 216478 73109 236543 109488 279658 83694 198273 53472 214060 63885 159680 42256 288812 78052 326138 67855 274738 74332 26992 27295 175716 56646 253532 249189 193471 71794 394487 117874 201519 47431 161488 162807 253098 47891 1 1 228183 75091 144370 139512 C24 H32 N18 S4 6447 1192 2964 8600 1 10187 2772 10502 1 9497 2752 1 3592 4982 1 8973 2258 8954 3393 1 3954 9655 2584 8605 2282 7672 2322 1 4215 1 3835 11519 2904 1 1582 7782 1954 19121 19385 9949 3952 15535 4601 9095 1 8643 8678 12223 2014 1 1 9659 2536 11796 12191 C10 H10 N2 15885 9370 13044 20071 7644 17108 11778 23804 8996 20925 11365 29772 16410 15145 1 21006 10849 19857 13941 27867 15617 21492 11524 18152 9176 18124 8185 25763 15056 31061 11243 25176 11861 8685 8166 18139 10208 29165 29857 22052 15220 30438 13928 21733 1 21887 23783 26852 11156 1 1 23028 13269 20147 19610 C8 H10 N4 O3 S 6046 1 1 8700 1 10054 5921 10492 1 10832 7088 12917 10520 1 1 9388 6765 10968 9951 12998 8277 9518 5640 9814 5692 7841 1 12997 7620 14577 6900 12583 7348 1 1 9383 6440 19957 18939 9301 7818 15847 9938 9491 5522 11826 10644 10228 5464 1 1 9944 7905 12611 11746 C35 H34 N6 O3 S2 2100 1 1 3291 1 3876 1664 3619 1 4436 1 5702 2449 1839 1 4021 1 4235 2357 5262 2120 4041 1 3841 1346 3050 1 5380 2263 5845 1893 4705 1 1 1 2431 1 5607 5833 3324 2122 7879 2664 3382 1 4064 3923 4823 1 1 1 4000 1548 3171 3291 916.2355@3.629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 813.2038@3.629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C19 H22 N8 O3 S2 5055 1 2828 6830 1 7259 2836 7277 1 7497 2842 8025 3387 3130 1 7762 3329 7513 3921 7723 3680 6352 2525 6915 2577 5722 1 8383 1 8668 1 8071 3385 1 1 6214 2618 8725 8798 6684 3166 9864 3964 6937 1 5362 5700 7854 2365 1 1 7584 3352 6160 6000 C9 H12 O8 18068 8254 13476 19796 8439 21726 11620 19990 7927 28736 20315 23426 12702 12593 1 29374 18206 30822 25071 21935 10575 19277 10361 26584 19249 17722 9707 23840 16203 23122 11223 27076 20563 9938 10691 25723 16648 23520 22807 17599 11108 32473 26517 21461 10899 23264 24812 22099 8938 1 1 22619 14724 17485 16501 TEGASEROD 4431 23575 1 1 4335 2716 4709 1 4015 3917 3521 1 5337 1 1 7621 5765 3159 8931 3728 3970 8449 5193 1 2548 1 1 1 1 2409 1 1 1 1 1 4022 4350 1 1 1 1 1 1 3602 1 4098 4217 2887 1 1 1 6560 5089 1 1 Phenytoin-N-glucuronide 1 1 2995 2477 1 1 1 1 1 13085 20069 1 2997 1 1 14807 17622 18447 24910 1 1 1 1 12353 17306 1 1 4432 6829 1 1 9788 17491 1 1 12336 13948 1 1 1 1 15066 26343 4657 5280 15984 16090 1 1 1 1 5824 8310 1 1 Theophylline + 3.6554136 27819 31254 51252 50210 40846 41658 42690 1 1 299950 340994 54362 59234 13547 1 297476 275785 359981 405050 35515 39426 22537 22441 246700 266268 13553 1 106477 113753 44122 35680 220952 244784 40198 39458 241271 253422 11184 12222 1 4505 398365 443897 111366 115308 255596 257087 1 1 1 1 145951 167464 11934 10910 C11 H21 N O4 + 3.6620948 30570 21582 21203 43197 25895 79537 54839 78045 40870 62331 48277 54558 37840 30698 1 49582 31917 35037 29929 91900 73359 139971 101750 28417 20657 37159 28089 70852 45956 77674 47078 71066 50520 33372 32154 24004 17168 69682 69698 65906 54522 138295 89420 181039 129856 149052 151242 43155 26562 1 1 34297 28355 60533 64708 274.1019@3.651513 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Pro His 1 1 8843 13064 1 1 1 10485 5362 14715 1 1 1 7235 1 1 2994 7502 5219 4516 1 1 1 6395 1 6993 1 8764 1 9243 8025 1 1 10641 9743 8480 6058 5449 1 1 1 1 1 1 1 1 1 1 8051 1 1 1 1 5690 6933 269.1476@3.6504638 1 8584 1 1 1 1 1 1 8634 1 1 1 1 7833 1 1 1 1 2335 1 5749 1 1 1 5183 1 1 1 1 1 8263 1 5063 9689 9976 1 1 1 1 1 1 1 7595 1 1 1 11373 1 1 8774 9822 1 5335 6898 6910 206.113@3.648519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 132.0782@3.40665 1 1 1 11336 1 1 1 31790 1 1 1 1 1 1 1 23356 1 1 1 1 1 1 1 1 1 23852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15298 1 1 1 C15 H14 18353 1 1 30420 1 19314 1 19398 1 34167 36173 35182 1 1 1 16086 1 49499 53971 1 1 29838 1 19049 1 13165 1 27731 1 27149 28914 21544 1 1 1 19577 1 1 26173 38918 51439 59369 54998 1 1 1 1 36428 51945 1 1 25416 32499 65941 63566 C9 H14 O S2 12724 9370 1 1 1 1 7593 1 3465 17317 21152 10758 5688 19637 1 13805 8213 17116 18495 1 28931 1 1 10988 15004 16968 12359 5694 7531 1 1 7815 12349 1 1 11712 12901 46513 48903 1 1 18336 22890 7753 6116 10645 10262 1 1 1 1 1 7683 5121 4475 354.0903@3.6835177 1 1 1 1 1 1 1 1 1 3495 10872 1 1 1 1 1 11054 5833 17706 1 1 1 1 1 9284 1 1 1 1 1 1 3225 7517 1 1 1 11053 1 1 1 1 6912 15712 1 1 10002 10574 1 1 1 1 1 4576 1 1 246.1248@3.6784458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2510 1 1 921.0025@3.725191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 119268 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364465 1 821.0069@3.8024826 1 1 1 1 1 1 1 1 1 1 1 1 13269 1 1 18803 9766 1 1 1 1 20211 1 1 1 11175 18341 1 1 1 1 15351 1 1 1 1 1 1 1 17928 1 17079 1 1 1 1 1 1 1 1 1 1 1 19688 1 472.0992@3.8479958 1 1 1 1 1 2334 1 1 1 1 1 3103 1 1 1 1 1 1 1 2261 1 1 1 1 1 1 1 1 1 1499 1 1 1 1 1 2064 1 1 1 1 1 4784 1990 1 1 1 1667 1 1 1 1 1 1 2687 1 256.0928@3.7335887 2270 1 1 1 1 1 1 1 1 1 1 4664 1 1 1 1 1 7136 1 1 1 6754 1 1 1 1 1 3182 1 1 1 1 1 1 1 1 1 1 1 1 1 2224 1 1 1 1 1 1 1 1 1 1 1 1 1 114.0669@3.6575482 1 1 1 1 2931 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4809 1 1 Acetoin + 3.5543795 1 61673 1 46338 1 1 39324 24830 1 1 1 50223 31930 65841 1 27533 33645 28327 27164 34065 38515 32174 39899 8266 34045 28012 39076 28433 36195 1 71360 30461 30017 60298 1 48213 39636 41893 43034 50425 42860 23801 1 55644 1 1 1 29403 52772 75137 1 31723 40888 42761 36988 C8 H16 N6 O4 23611 70783 64514 25111 68621 24109 28277 24424 70813 24583 71661 25496 68786 65608 64187 23275 68248 23912 45278 22516 44151 22952 63930 24531 65336 22552 44798 23227 45284 24859 70972 24530 69542 61552 65281 27685 66542 49115 49711 24954 66344 25815 68409 24853 69320 67665 65537 24449 70295 65072 64545 23672 70915 44398 41591 C10 H22 O6 333356 853411 719537 336948 856199 328800 792931 349220 893815 332047 857806 337347 841718 721018 736656 329553 848011 313962 341093 317257 503671 324736 838472 322929 821048 326549 531012 323028 554161 334174 775664 329384 538337 736854 728714 352651 813131 489212 482942 334251 837376 316138 816869 327789 884882 736900 724112 337306 903105 734260 752950 333246 854094 446875 444938 C7 H17 N11 110516 443577 322171 112292 441063 108667 409356 112266 459555 112650 443639 110866 440376 376547 370087 111626 440253 108874 178153 111164 263594 109839 446716 109822 422988 113503 421036 114857 279226 117703 452348 115118 452494 356025 347308 123505 431006 259178 243972 114483 423902 113454 413424 100694 441954 380423 376108 106316 450049 366480 369891 103820 439655 246667 253396 299.1784@3.695281 1 1 1 1 1 1 1 1 4783 1 1 1 1 1 1 4337 4842 1 1 1 1 1 1 5014 1 1 1 6206 1 3578 5204 4398 1 6191 1 4551 1 1 1 5125 1 1 1 4131 1 1 1 4334 1 1 1 1 1 1 1 132.0784@3.6865218 1 1 1 19440 1 1 1 1 1 16393 1 1 1 1 1 1 1 13448 1 13310 1 1 1 13271 1 15702 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13174 1 16634 1 1 1 1 1 1 1 1 1 1 1 295.1431@3.7083964 4347 1 1 2378 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2756 1 1 1 1 1 2981 1 1 1 1 1 1 1 1 1 315.1889@3.7550025 1 1 6533 1 1 1 1 1 1 1 7292 1 1 4901 1 3796 2573 1 1 1 1 1 6592 1 1 1 1 1 5053 1 7428 1 1 1 1 1 1 1 1 1 6741 1 6237 1 1 3286 1 5040 1 6196 1 1 1 1 4377 275.172@3.801399 1 1 1 6365 1 11140 5319 3575 1 13301 11176 5169 1 2000 1 3874 1 8430 6429 1 1 4016 1 1 1 1 1 3348 1 7795 5097 1 1 1 1 10800 5016 1 1 2663 1 3169 1 4605 1 1 1 2125 1 1 1 5001 1 30926 30222 958.9567@3.8017929 1 27904 29488 1 36327 15225 23720 11905 56619 14793 56428 1 52441 52097 1 1 17128 10971 32744 7547 61056 1 41293 24260 1 27257 54753 20941 64859 12012 39482 26956 61903 1 1 1 27142 38025 41734 18387 1 1 45611 16623 42185 50295 51964 20784 53263 1 1 12505 18922 34232 27146 124.0983@3.839937 1 7377 1 1 6666 1 6154 1 4321 1 1 1 8629 5584 11756 1 1 1 2363 1 1 12904 1 1 1 1 10714 1 9391 13527 21217 1 1 1 1 1 10418 1 19039 9306 1 1 1 1 1 1 1 18921 1 32007 50507 1 1 1 1 210.0759@3.8236854 1 5072 1 1 1 1 2612 1 1 12085 14703 7818 1 1 1 1 1 2468 1 10118 11706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9966 11396 1 1 5002 1 1 1 8385 8128 1 1 1 1 4822 1 1 1 260.1331@3.8205311 1 1 1 5875 1 4118 1 5359 1 1 1 1 1 1 1 4703 1 5051 1 4360 1 4657 1 2668 1 1 1 1 1 3631 1 4098 1 1 1 5488 1 4664 4397 3733 1 1 1 1 1 1 1 4631 1 1 1 5186 1 1 4969 295.1418@3.869873 1 1 1 1 1 1 1 1 1 6499 1 1 1 1 1 1 1 1 1 5592 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8359 1 1 1 1 1 1 1 1 1 1 1 1 1 928.233@3.884979 1 1 1 1 1 2102 1 1 1 1 1 2196 1 1 1 1199 1 1 1 1328 1 1208 1 1 1 1 1 1 1 1 1 1 1 1 1 2077 1499 1319 1560 1 1 3449 1375 1 1 1 1202 1231 1 1 1 1 1 2173 2238 624.143@3.8835597 1 1 1 1 1 1818 1 1 1 1 1 2157 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1955 1 1 1 1 1 2615 1 1 1 1 1 1 1 1 1 1 1 1 1 776.185@3.8662503 1 1 1 1 1 1 1 1 1 1 1 1900 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1916 1 1 1 1 1 2598 1 1 1 1 1 1 1 1 1 1 1 1896 1 478.1162@3.877027 2018 1 1 1 1 4662 1 1 1 1 1 5298 1 1 1 3311 1 1 1 3857 1 1 1 1 1 1 1 2573 1 2806 1 1 1 1 1 4945 1 3378 3689 1 1 7197 1 2715 1 3210 3377 3054 1 1 1 2057 1 5005 5346 944.209@3.879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.0025@3.8877904 1 1 1 1 1 364843 1 180919 1 1 1 1 1 1 1 290016 1 1 1 1 1 339395 1 1 1 243946 1 1 1 1 1 344074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 257248 1 C5 H6 N2 O5 14293 1 1 16778 1 21822 13766 16279 1 16164 14342 24105 15466 12629 1 18062 11931 16769 9806 19558 1 18589 1 1 8660 1 1 16509 10296 16750 1 17172 13333 1 1 24611 18799 19039 19811 16255 11468 25442 14453 15336 8792 12861 14610 17115 1 1 1 17319 1 20825 21245 925.1884@3.882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 378.1854@3.9053216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5034 4901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 332.1071@3.900322 1 1 1 1 1 1 1 1 1 16414 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 His Thr Ala 2852 1 10689 1 1 2785 1 1 1 95801 13151 1 1 12406 11658 1 1 2751 4034 1 3966 1 1 1 1 1 1 1 1 1 1 2237 4183 11608 11528 1 1 11661 14272 1 3716 1 4073 1 1 12994 12496 1 1 12033 11018 1 1 18012 16061 310.125@3.903322 1 1 1 1 1 1 1 1 1 14682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 275.1731@3.911946 1 1 1 1 1 1 1 1 1 2067 1 2605 1 1 1 2722 1 5776 3572 1 1 2389 1 1 1 1 1 2184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2738 1 1 1 1 1 1 1 1 1 5321 4460 C9 H27 N7 O S2 10388 12286 10172 11972 14431 10002 12852 11096 12094 17692 17499 7762 13002 11617 9329 8929 12333 8670 13483 8418 14786 9678 12721 8464 12631 8046 12259 9724 13367 10018 13148 9777 12316 12504 10472 12215 12472 7786 7557 13252 12313 10196 11303 9164 13657 11940 11968 8666 12243 9936 9790 8455 14315 9926 13233 296.1464@3.9338627 1 1 1 4951 1 1 1 4887 3226 7163 4477 1 1 1 1 3485 1 3639 2992 1 1 1 1 1 1 3438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4054 1 1 1 1 1 1 1 1 2699 3269 1 318.128@3.9403756 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 250.1406@3.931031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 157.1096@3.9494908 1 1 1 1 1 1 1 44183 34985 21713 29355 7374 9161 1 1 1 1 18070 21593 5712 1 1 1 1 1 12939 16770 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7374 8263 1 1 1 1 38038 51122 17979 16954 88.0523@3.7660198 1 1 1 1 1 1 1 7242 1 1 1 28873 1 1 1 1 1 1 1 1 1 1 1 28525 1 1 62665 1 1 1 1 1 1 1 1 1 1 1 1 34269 1 1 1 29205 1 1 1 1 73079 1 1 1 1 1 1 132.078@3.976861 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 294.1242@3.9620616 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C9 H21 N11 O 116678 521808 376240 125179 533025 116461 525647 119687 523491 120536 526606 119048 521477 421764 412919 117405 527670 113042 395580 115693 507424 113446 510667 117542 507529 113241 509893 115212 525818 124603 545468 119043 534802 417189 417565 131671 509004 276094 259453 116951 501739 110907 503993 110516 530605 435973 422994 115318 551956 429316 442085 120868 538076 257262 253940 C12 H26 O7 57994 177835 150369 61020 174902 57614 178716 61129 180687 59567 178707 58220 174631 145721 135847 56969 174893 55575 172468 57749 175583 56703 171951 57952 167341 54643 170440 58409 169435 57615 176516 58203 178601 143017 141040 67399 168298 91184 88904 57654 172750 52435 168280 61848 185483 147383 146598 61408 184746 147243 149339 63399 179578 82009 81969 C10 H20 N6 O5 7285 22079 18833 5560 21625 5057 21817 6153 24467 5621 22601 5151 21377 20496 18153 5577 21454 5240 21279 1 20868 5591 20791 5169 22576 5023 21132 5871 20039 5874 22640 5212 21923 19400 20038 6353 20807 13459 12917 5896 21537 5205 21832 5682 22216 22412 21216 5455 22097 19048 18304 5590 22341 12194 12618 343.2012@3.9752247 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 224.0946@4.037632 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4741 4649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11457 13423 1 1 1 1 1 1 1 1 300.1123@4.039872 18363 1 1 20711 1 17069 1 1 1 15565 1 20081 1 1 1 17975 1 15040 1 16727 1 9902 1 16804 1 14880 1 12351 1 16516 1 19313 1 1 1 24644 1 1 1 12236 1 17361 1 18619 1 1 1 17724 1 1 1 17199 1 1 1 577.2568@4.0475364 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 563.2781@4.0585375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 DIHYDROFISSINOLIDE 2391 1 1 1 1 4170 1 1 1 23636 9344 2203 1 1 1 5277 1 3069 1 6130 2383 1 1 2585 1 15064 6516 24426 10029 18404 3896 4661 1 1 1 1 1 6055 5536 61927 48701 15261 4702 1 1 1 1 1 1 1 1 4228 1 4986 5222 6-Formylindolo [3,2-B] carbazole 23751 38221 1 13254 19983 30897 53585 18855 25558 56798 119826 23171 44790 52568 1 34940 59936 29737 59444 38167 74114 21206 40536 28262 51765 42717 100335 54627 111227 48339 80550 33344 63333 36979 38497 7111 16440 66961 67490 73777 145468 41330 70357 15993 27704 27933 28114 1 1 1 1 32843 60128 51699 53254 Isobutylglycine + 4.0776467 36663 22449 1 20791 9452 46478 28458 29732 12390 96880 72890 37896 22840 36300 1 55773 33405 44135 33109 59819 43692 32296 22713 42739 27499 84751 60247 102997 71293 87657 48848 51189 34029 22460 24386 17095 10318 50018 51054 145297 118207 72847 47190 22517 13211 20640 21172 4129 1 1 1 54085 34874 42510 42586 Indoleacrylic acid + 4.0787907 32448 25230 1 15307 9205 44230 31556 20840 11275 109551 99120 27906 22557 27514 1 50094 36784 36220 34174 56079 49908 29280 22738 33171 27779 90158 77425 115410 97386 83013 59796 43455 35038 19631 19939 8394 7148 42186 40832 190453 203342 68723 58179 17986 14015 16217 15691 1 1 1 1 53893 43383 30172 30229 C14 H18 N2 O2 151957 145031 6428 67103 48683 206353 191158 96164 64567 556156 605252 133556 130796 154128 1 246833 218860 178361 208324 274774 301511 128301 133236 164257 165228 458017 474572 599249 598311 436083 367631 209386 214738 107169 102423 41627 40575 244648 243088 1020932 1272021 351684 350226 79666 76605 88699 86717 9075 7288 1 1 246093 271661 177180 180084 246.2688@4.0830426 1 1 1 1 1 3333 1 1 1 1 1 1 1 1 1 1 1 1 3319 1 1 1 1 1 1 9009 9313 1 1 1 7259 1 2631 1 1 1 1 1 3873 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 epsilon-Caprolactam 91562 261747 80513 156469 314792 146647 342605 182837 264717 112338 187162 145783 285940 1676968 1 125725 1245507 154325 2117816 135389 2041066 129834 1935123 124627 1803855 102272 1932053 80598 1997463 156637 1760012 96447 137857 85059 61371 257284 2034174 457374 448072 215529 2318222 188302 2058390 52083 67356 216884 198782 48075 87928 1 114230 47202 88367 63052 42691 C20 H29 N S 16037 7877 1 1 2384 13556 3837 5356 1 5777 1922 4889 2997 13205 1 9553 12408 5925 6279 9368 10763 8722 8607 8422 8166 7727 1 3699 1 4313 1 8423 8752 5668 5013 10770 11637 7831 7921 8647 10681 8310 4210 12490 10903 22529 21808 5265 1 1 1 6414 1 7816 8943 C10 H24 N10 13121 2481 2281 12176 1 12804 1 13795 1938 13631 1 12828 1 1 1 13304 1 13108 3573 12770 1 12754 1 12861 2910 13068 1 13089 1 14431 2745 13373 3167 2382 2782 13988 1 1 1 14699 4091 12540 1 12554 2316 4113 4227 12148 1 1 1 12562 3021 1 1 1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetradehydro-24,25,26,27-tetranorv 10288 16554 11433 10863 11498 9853 16680 12313 10830 9768 18057 9989 15517 15568 1 10865 13735 10276 18678 10241 16855 11326 16273 9686 14477 10353 15837 10210 16738 10697 14347 11072 16914 9839 9391 9885 16924 2133 1 10258 22814 10610 17324 10743 13365 25850 25333 10662 13012 1 1 12452 19032 1913 2012 C12 H22 N2 O2 735237 820445 642492 730657 647920 729738 802481 806694 646529 744501 914451 726057 852670 1 1 754631 1 730644 1 712644 1 714503 1 720305 1 712697 1 719735 1 751036 1 774407 915357 579579 573613 767130 1 1 1 722024 1 722778 1 719786 798158 1141184 1129338 723838 783849 1 1 770857 937844 186387 189821 C9 H20 N4 O4 51283 63305 53041 48874 53761 51142 61719 53198 53142 51810 73600 47930 65578 69698 1 49705 58523 54345 73295 47622 73799 48870 66931 47327 63361 53493 68242 53682 68715 54776 61560 55725 68506 54172 49672 48074 63024 23818 23704 59513 89780 53623 76489 50998 62301 94154 94000 50524 58603 1 1 54116 77022 21107 21809 cyclohexylammonium + 4.089639 1 1 34550 30672 28808 31617 33746 32082 27124 31862 36560 35502 44928 33594 1 31187 31868 29773 34145 28586 40341 29205 36546 34937 37612 28830 36296 31033 36435 33874 42021 31208 40634 30840 29677 30733 38532 12075 12714 28798 46723 28613 38731 32375 35269 56373 56170 30976 34909 1 1 34431 38212 10607 12226 138.1145@4.0644965 31785 1 1 27062 1 26772 1 48393 1 1 1 55711 1 1 1 1 1 9004 1 1 1 1 1 33408 1 44289 1 1 1 11069 1 36183 1 1 1 23534 1 1 1 1 1 27140 1 36835 1 1 1 20380 1 1 1 1 1 1 1 133.053@4.0959797 13555 1 1 1 1 11929 1 1 1 1 1 1 1 1 1 12915 1 1 1 1 1 18693 1 1 1 1 1 11300 1 13798 1 1 1 1 1 1 1 1 1 1 1 17363 1 1 1 1 1 1 1 1 1 17619 1 1 1 371.1785@4.1591043 1 1 7157 4751 1 3787 1 9674 1 246449 25530 1 1 6358 7635 1 1 1 1 1 1 1 1 1 1 1 2523 2839 1 1 1 1 1 7010 7585 1 1 8909 8923 3509 1 1 1 3749 1 7280 7027 1 1 6871 6962 1 1 14719 15506 376.1334@4.150318 1 1 1 1 1 1 1 1 1 22954 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 354.152@4.1509852 1 1 1 1 1 1 1 1 1 12151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 216.0698@4.1876493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9442 5960 8753 1 1 1 1 1 1 1 1 1 1 1 1 4274 6822 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Caffeine 38278 1 64447 34575 1 86720 1 1 1 986135 1130276 91214 93450 1 1 589947 550092 517191 596123 60295 1 1 1 764388 773235 90593 74957 329860 333492 28217 1 437413 438799 1 1 818356 862987 1 1 1 1 1302077 1439962 308709 294652 534345 557195 1 1 1 1 378746 393004 1 1 384.1375@4.188488 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 362.1541@4.1815248 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Lys Asn Pro 8995 13171 9295 10602 14676 8832 13925 11065 14656 26726 23568 7788 13498 9595 7937 8440 13323 8098 14591 8254 14618 8807 11209 7777 13250 7720 12501 7708 13168 8715 14064 8137 14121 8939 8673 8589 13468 6653 6591 8214 13600 7584 12660 9713 14996 10883 10667 8232 13886 7947 8034 7673 13229 12047 11687 410.1424@4.186447 1 1 1 1 1 1 1 1 1 8950 11535 1 1 1 1 3435 3916 1 3551 1 1 1 1 5717 7101 1 1 1 1 1 1 1 2600 1 1 5921 7055 1 1 1 1 13375 17025 1 1 4089 3419 1 1 1 1 1 1 1 1 340.1736@4.181184 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 226.166@4.2099495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1722 1 1 1 1 1 5986 1 6276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 387.2264@4.202177 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ser Ser Arg 1 5274 4438 1 1 1 1 1 5248 1 6573 1 5579 1 3745 1 5811 1 6086 1 4463 1 5033 1 5788 1 4935 1 5491 1 6115 1 5445 1 4251 1 5842 3069 1 1 5025 1 6388 1 5383 4929 5622 1 5506 3488 4093 1 6173 1 1 C11 H25 N11 O2 84609 325708 231313 89832 340304 87672 329895 90534 336503 99819 359385 86024 328703 251584 232875 84644 322725 86822 322185 86034 333334 82873 318803 81657 322009 82965 325542 84298 333577 90618 332783 87696 336643 225969 225548 94709 328592 158032 150193 84026 323435 78727 318733 84513 354142 259556 249679 86104 343003 224557 219721 88726 334246 147588 148070 C14 H30 O8 12203 37472 31434 13942 37695 13760 38669 13354 38906 14896 40165 12378 38694 25918 29072 12126 35682 11470 37217 13075 38466 12699 38516 11445 37623 11949 35290 10881 37968 11428 38930 11829 38024 28815 28685 11462 38535 18523 17704 10048 36852 10853 37394 13220 38696 31155 30432 12461 38807 28257 27852 12954 37963 16796 17477 189.1358@4.2173495 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7038 9804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C10 H16 N2 O2 23534 22997 6423 16251 13299 25700 21664 16646 10905 47470 50594 56356 56976 31104 1 30599 27173 25203 26705 39086 3941 13655 13873 23885 21972 19455 1 23704 24563 34826 32746 19269 20572 13886 14012 23729 22930 25704 4051 19533 20181 40282 13160 17908 17073 37008 4779 17272 15247 1 1 24091 26747 24889 24150 621.2838@4.230461 1 1 1 1 1 1 1 1 1 7891 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 607.304@4.239994 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152.1195@4.2482166 14311 13800 1 1 1 1 1 1 1 1 1 1 4650 1 1 9441 6081 1 5556 1 1 3351 1 1 1 1 1 1 1 1 1 1 1 1 1 6761 6086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5656 7287 1 1 210.1227@4.242783 24861 24591 1 5452 1 1 1 1 1 1 1 7907 1 1 1 15841 1 1 9702 4096 1 5933 1 1 1 1 1 1 1 5763 1 5664 1 1 1 14173 1 1 1 5837 1 1 1 6241 1 1 1 1 1 1 1 16242 1 1 1 201.0786@4.274095 1 1 10749 9195 7893 1 1 1 1 6202 4979 3659 3872 4136 1 5855 6370 1 1 8125 10249 5169 1 1 3279 1 1 1 1 1 1 1 1 1 1 1 2921 1 6258 11261 15357 7056 7349 1 1 6821 7040 13085 14129 1 1 4128 1 8218 8909 340.1778@4.2907343 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 317.1825@4.279003 8196 3255 1 1 1 1 1 1 1 3006 1 6361 2532 2605 1 8403 1 11303 8010 4125 1 5353 1 7485 1 1 1 1 1 1 1 1 1 1 1 8377 4023 4638 4461 1 1 4103 1 3663 1 1 1 1 1 1 1 1 1 5901 5141 Pinacidil 14101 12565 22916 41238 28691 35952 30966 82549 52045 30780 29381 33489 28962 50262 1 19709 17146 43521 48793 35004 37006 45143 43359 22855 20703 18920 19397 48670 45381 27499 24004 30727 29376 22538 22801 28174 27560 41581 41335 25326 30945 38256 35514 38381 35807 49191 47925 44186 36462 1 1 33774 33832 48507 48572 129.0427@4.3230886 27570 13514 1 14879 1 1 1 43274 14019 1 1 1 1 1 1 8840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7024 19250 12629 17203 9153 1 1 1 1 1 1 1 1 20908 12772 1 1 146.0683@4.312086 1 1 1 1 1 1 1 10552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 308.0772@4.3139753 6736 1 1 1 1 1 1 9285 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4819 1 1 1 N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine 117066 78638 37022 68236 35261 18792 12424 199928 92881 55583 47094 31755 22403 17283 1 38508 26541 24075 22120 38830 36109 38078 30337 21526 15653 32734 26761 56705 39343 15531 10752 42726 32615 18391 18540 37473 26852 43559 42575 89798 80571 86320 55925 32657 23744 31170 29404 23129 14829 1 1 86955 77413 47132 47470 594.1685@4.3103323 2232 1 1 1 1 1 1 4950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin 21933 7955 1 11570 1 1 1 43277 9254 9056 1 4830 1 1 1 6053 1 3840 1 5882 3329 6059 1 1 1 4402 1 8734 3482 1 1 8106 1 1 1 5864 1 1 1 15981 9320 26079 9359 4640 1 1 3603 1 1 1 1 16693 8564 5913 5231 201.0404@4.337112 1 1 1 1 1 1 1 1 1 1 3414 1 1 1 1 1 1 8543 6711 1 1 1 1 1 1 1 1 1 1 5919 1 12413 7703 1 1 1 1 2611 1 6601 5531 51476 31655 1 1 11386 12194 1 1 1 1 1 1 1 1 C7 H4 O 12684 9727 1 30788 19171 8691 1 38612 19889 53228 42770 18389 15065 18441 1 9086 1 83897 80106 24017 21108 26273 20720 17321 13913 32188 27698 29666 24664 58497 40788 105916 87035 18895 18535 11342 8817 27775 27331 65603 69372 289031 228530 11119 1 124059 124138 20522 12388 1 1 40455 36523 34383 32980 4-Oxo-4-(3-pyridyl)-butanoic acid 1 3139 1 1 7204 1 1 1 7290 12425 15710 1 5521 7498 1 1 1 21270 29419 1 8748 1 8538 1 5776 1 10920 1 10276 1 14493 24909 30799 6396 7023 1 4077 11439 9639 16634 24807 70109 84544 1 1 45805 46030 1 1 1 1 1 13353 13097 13351 415.2048@4.3733773 1 1 1 1 1 1 1 6687 1 249066 27698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3437 2567 1 1 1 4077 1 3036 3122 1 1 2456 1 1 1 10700 10097 Pinacidil + 4.3858333 51080 48002 17266 99071 67982 154870 136576 110446 72794 72647 73134 80629 80388 135907 1 92957 81767 86746 97977 164222 179311 76906 75092 72977 71254 78820 78584 179037 165107 62922 56120 136775 133368 49125 49562 44459 41219 102907 103500 65113 81384 259591 234798 105530 98509 101866 98187 106628 89438 1 1 71325 74095 70828 68167 420.1595@4.366315 1 1 1 1 1 1 1 1 1 16751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 186.0881@4.360761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2506 1 1 1 1 1 1 1 3569 1 1 1 3678 1 1 1 6872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 406.1807@4.3943233 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C16 H35 N O10 8153 13106 8059 9381 12685 8722 11062 11258 14600 37523 31426 6380 12088 9145 5942 6390 13205 6888 13796 6631 12081 6815 13435 7145 11272 6108 12663 7201 12529 7603 11748 6948 12563 8188 7856 7171 12705 5582 5326 7586 13370 7253 12477 11164 17650 10784 10996 6327 13820 8694 8645 7268 12171 11752 11165 384.1987@4.394823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Lys Gln Ile 58068 162734 118281 61098 163966 59710 163807 62890 166857 98288 211229 57059 159499 142680 103014 54812 160251 54900 160432 57116 159458 56383 164341 56339 164756 57933 155000 56998 155708 60971 163935 57583 156573 112719 111314 58226 157184 80813 78235 59007 163698 56950 148845 61146 167442 155854 154860 56094 159635 105598 104547 59544 163190 82233 81361 431.2523@4.4107323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C13 H34 N6 O2 S2 1 7759 7794 2696 8603 3121 8756 3650 8786 5312 10808 2811 8074 8931 5811 2771 8389 1 8301 1 8146 1 8040 1 8345 2487 7718 1 8023 1 8655 1 8203 6636 6787 2972 8002 4175 4122 1 8434 1 7791 3226 8281 8851 9246 1 8082 6093 6005 2709 8096 4262 1 392.2023@4.4184337 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C8 H19 N 291472 457171 457636 1 476903 278862 94840 291689 1 281165 450872 1 477670 512714 524135 272904 104059 276787 109040 265243 1 281584 540386 274330 1 266620 277125 1 1 1 541823 287278 1 468356 495792 272625 1 1 235590 283069 507716 300368 519163 247143 465273 509305 524599 267217 1 494699 530661 280485 442715 200954 211734 262.131@4.4265885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2372 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3000 1 1 1 1 1 4003 4272 463.1816@4.508 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.1882@4.550502 1 1 1 1 1 1 1 1 1 2880 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7908 2382 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 459.2307@4.564651 1 1 1 1 1 1 1 5230 1 137776 17128 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4176 1 1 1 1 1 1 1 1 1 5551 5299 C23 H43 N O S3 6090 10229 6548 6498 10179 6054 9782 9822 11295 34484 31261 5021 9871 6594 5028 4912 9122 5280 10705 5122 9513 5175 9889 5367 9276 4917 9139 5279 10107 5808 9835 5099 9846 5639 5993 5530 9692 4162 3591 6036 10766 4723 9693 9708 13384 8886 9617 5586 9338 4675 4607 4261 10237 10340 8576 450.2081@4.5922966 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 266.1125@4.621909 5656 1 1 2608 1 1 1 8169 1 1 1 5445 1 1 1 7111 1 1 1 4215 1 7601 1 4222 1 4881 1 4443 1 5483 1 2154 1 1 1 6562 1 1 1 4965 1 1 1 1 1 1 1 1 1 1 1 3358 1 1 1 475.2796@4.596235 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 414.2461@4.604867 1 1 3065 1 1 1 2942 1 2683 1 4075 1 1 3994 1 1 1 1 1 1 2403 1 1 1 1 1 1 1 2495 1 1 1 2724 2574 1 1 2192 1 1 1 1 1 2365 1 1 4706 4302 1 1 1 1 1 1 1 1 C15 H33 N11 O4 43722 89540 78906 45220 92171 45786 95001 48160 98970 85605 144268 41472 89307 116054 58935 44165 92391 40462 94678 43475 90932 41444 90782 42474 84982 41091 87373 39959 89674 46449 94774 43969 88690 68328 70433 44022 90902 50075 48675 43232 93565 40711 87606 53258 103630 143724 139311 42342 91068 58824 55777 44077 94702 48904 49752 477.1984@4.59882 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 436.2287@4.600253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C18 H18 N2 O5 19894 1 1 19116 1 18223 1 20921 1 17407 1 17706 1 1 1 18360 1 17033 1 15762 1 15245 1 16815 1 16667 1 16943 1 17855 1 16070 1 1 1 18310 1 1 1 18551 1 16873 1 19041 1 1 1 17776 1 1 1 17882 1 1 1 320.1393@4.6067767 5403 1 1 4704 1 5846 1 1 1 5042 1 1 1 1 1 4838 1 4627 1 4368 1 5360 1 4192 1 4256 1 4461 1 4269 1 4921 1 1 1 5761 1 1 1 5285 1 5130 1 6461 1 1 1 1 1 1 1 1 1 1 1 270.1079@4.6297345 5879 1 1 6546 1 3588 1 1 1 1 1 5246 1 1 1 1 1 1 1 5442 1 1 1 4990 1 5513 1 1 1 1730 1 1 1 1 1 4051 1 1 1 1 1 1 1 5181 1 1 1 6136 1 1 1 1 1 1 1 C15 H21 N O4 37602 24681 10558 29180 15611 12453 7689 49968 27137 26216 23242 13856 8360 13543 1 13679 12932 7488 8720 56789 60402 23076 24075 5227 6088 15707 17890 27458 27995 8604 6557 11087 11730 9657 10582 7915 8941 24780 23964 42610 57060 30924 24359 14007 14285 28936 29349 12884 10802 1 1 32544 37174 16479 16755 360.1754@4.697975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 503.2575@4.736006 1 1 1 1 1 1 1 3950 1 57049 8125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2515 1 220.1541@4.741331 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2437 1 1 1 2542 1 1 1 1 1 2092 1 1 1 3030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3318 1 1 1 C33 H35 N3 O 4488 8609 4880 4809 8766 4568 6023 7905 9645 34285 30756 4090 8060 6375 3962 4199 8643 4583 9801 4248 8850 4422 8489 3855 8516 3915 8022 4173 8206 4455 9702 4365 8331 4996 4514 4213 8121 1 1 5179 8699 4351 8314 9317 12845 9430 8696 5471 8539 1 4107 4578 8345 7310 6588 Netilmicin 34995 62277 65545 35495 67989 39119 70853 40040 72055 92377 135081 33315 63305 119346 42716 33960 70723 31949 66321 34805 69555 33511 64709 32624 68042 35621 62148 33179 63883 41485 73736 32873 63643 59709 59106 34699 64170 36827 36422 33860 65159 33429 62847 44153 78208 156072 158592 33133 67931 42757 43823 35703 70425 36888 38563 268.1269@4.8046336 5563 1 1 1 1 1 1 4822 1 6960 1 1 1 1 1 7737 1 6671 1 4183 1 8066 1 6399 1 6768 1 1 1 10019 1 5322 1 1 1 1 1 1 1 6032 1 3233 1 3691 1 1 1 4072 1 1 1 4181 1 1 1 331.1974@4.76 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.2548@4.77044 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 TIAPRIDE 13218 1 1 7090 1 12946 1 5928 1 11086 1 12912 1 1 1 12986 1 12598 1 13265 1 12873 1 12321 1 12005 1 12197 1 12617 1 11974 1 1 1 12665 1 1 1 10792 1 11790 1 13822 1 1 1 12599 1 1 1 6702 1 1 1 861.9705@4.788027 1 1 1 1 1 1 1 2297 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1333 1 1040 1 1 1 1 1 1 1 1 1 1896 1 1 1 921.0025@4.768351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 76672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 821.0062@4.8093915 1 1 6618 1 1 1 1 19758 9579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline 8186 1 1 9739 1 7669 1 12300 1 9402 1 6388 1 1 1 9303 1 5682 1 8137 1 8893 1 6790 1 8542 1 8798 1 6605 1 8241 1 1 1 8172 1 1 1 9561 1 10128 1 6551 1 1 1 7266 1 1 1 9904 1 1 1 C4 H6 N2 O6 S 6544 1 1 10801 1 1 1 17503 13651 7083 1 1 1 1 1 6116 4841 1 1 1 1 1 1 1 1 1 1 5591 7212 1 1 5610 6055 1 1 1 1 1 1 8305 11159 7039 7611 4043 1 1 6554 1 1 1 1 12234 15056 4058 1 437.0174@4.7931433 1 1 1 1 1 1 1 5094 1 1949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3011 1 1 1 120.0436@4.786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 651.9701@4.787862 1 1 1 3177 1 1 1 4173 1 2303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2163 1 1 1 1 1 1 1 1 1 1 1 1 1 2201 1 1 1 1 1 1 1 1 1 1 1 1 1 441.9731@4.792324 5427 1 1 6697 1 1 1 8747 1 4929 3241 1 1 1 1 3805 1 1 1 1 1 1 1 1 1 1 1 4143 1 1 1 1 2873 1 1 1 1 1 1 4774 4427 1 1 1 1 1 1 1 1 1 1 6270 4315 1 1 210.1206@4.8270006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2914 1 1 1 7491 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Gln Pro Lys 1 4050 1 4512 4138 4267 4529 4146 4582 4316 3815 4204 1 1 3662 4605 1 4574 4939 4879 3612 4031 3945 4570 1 5278 3961 4469 3711 1 3911 3991 3596 1 1 4261 1 1 1 4572 4200 4725 1 3945 4101 5192 4602 4017 4101 1 1 4129 4640 1 1 559.3178@4.82613 3394 1 1 2956 1 2759 1 3206 1 3254 1 3470 1 1 1 3323 1 3223 1 2688 1 3072 1 2996 1 2637 1 2623 1 1 1 2504 1 1 1 2951 1 1 1 2848 1 1 1 3865 1 1 1 2831 1 1 1 2692 1 1 1 C10 H22 N8 O2 S 4689 1 4912 5456 3069 10200 7136 3111 1 14778 12866 9847 7735 11101 1 7310 5489 11879 11816 13939 14233 6842 6400 4253 3225 5730 4618 6302 5691 9120 6116 1 1 5282 5268 1412 1 7809 7687 12133 15456 24705 20430 13396 10596 11117 11181 27957 22343 1 1 8680 8821 5196 5615 547.2835@4.8904715 1 1 1 1 1 1 1 1 1 19752 3417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C18 H44 Cl N9 O7 3215 7989 4375 3821 7806 3885 4243 6656 8513 22677 22957 1 7298 5402 3578 1 5706 1 7372 1 7240 1 7519 1 8030 3234 7386 1 6943 3972 8320 1 6990 4649 3883 3179 7013 1 1 4047 8374 1 6894 6690 10173 9317 9635 4139 8431 3198 3884 3529 8030 4806 4481 C19 H41 N11 O6 26693 53983 63376 29700 58503 33871 60487 33336 63234 67469 110691 26785 54064 132398 37321 28147 60065 26262 55078 30780 59714 25982 55677 26593 59161 27915 55148 27077 52260 34199 64217 26231 53935 55602 54201 28480 56186 30082 30266 28116 57302 26387 53738 34665 67104 179990 182947 28671 59778 36333 34985 30253 59665 29346 29140 C24 H44 N4 O4 2714 1 1 3024 4601 3345 4154 3875 4701 3581 3998 2910 3981 1 1 3659 4306 2813 4384 3928 4659 2487 4345 2799 3924 3575 4524 3423 4378 1 4473 1 4286 1 1 2999 4321 1 1 3867 4501 1 4264 4141 4768 1 1 1 4147 1 1 1 4138 1 1 270.1072@4.9007797 1 1 1 16189 1 12834 1 17578 1 14629 1 13936 1 1 1 14147 1 14049 1 13913 1 12581 1 12503 1 13563 1 15780 1 5473 1 13563 1 1 1 14996 1 1 1 15134 1 15258 1 17558 1 1 1 14636 1 1 1 16552 1 1 1 C11 H18 N2 O2 1 5895 1 16418 14628 7377 5269 1 1 24614 6681 14394 15878 9220 1 18645 18250 21814 4768 1 7543 1 12476 1 8552 1 7635 16300 19154 27153 27267 13876 16102 1 6999 1 8935 8395 8679 1 1 40955 10655 1 7359 7891 7860 7590 1 1 1 1 10826 9971 10709 477.1974@4.9650884 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C29 H41 N13 O2 2933 1 1 3222 1 3419 1 3183 1 1 1 2657 1 1 1 2978 1 3020 1 3459 1 2978 1 2837 1 3798 1 3397 1 3283 1 3131 1 1 1 3037 1 1 1 1 1 2675 1 3440 1 1 1 3397 1 1 1 3242 1 1 1 C24 H39 N5 S2 2840 4894 3108 3236 4698 2713 5187 2608 4802 2631 5245 2813 5460 4430 4173 2891 4715 2899 5556 3122 5688 3175 4981 2883 5414 1 5702 3350 5538 3210 5066 2491 5741 4069 3890 3090 5828 1912 1 3151 5133 1 5794 1 5294 4378 4354 3016 4513 3970 3978 2949 4908 2141 1 129.1505@4.9873548 1 1 12516 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2672 1 1476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4199 282.1136@4.9662576 1 1 1 1 1 1 1 1 1 2440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3985 1 1 1 2215 1 1 1 9189 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C15 H25 N15 3845 3814 3433 3870 4341 3650 2904 3358 4694 4105 4422 3529 4015 4120 1 1 3789 3365 4161 3281 4274 3313 3911 1 1 1 4044 3405 3925 4205 3630 3735 3769 3355 1 3791 4024 1 2674 4067 4628 1 3984 3554 4447 6028 5930 3535 3958 1 3484 3454 1 1 1 270.1072@5.0133367 20635 1 1 21388 1 22871 1 24529 1 26596 1 20643 1 1 1 21853 1 21426 1 21786 1 19483 1 18399 1 21768 1 22980 1 14938 1 22711 1 1 1 27820 1 1 1 21987 1 26417 1 24148 1 1 1 22235 1 1 1 22449 1 1 1 C31 H49 Cl2 N5 O 2399 6471 3293 2646 6212 2931 3691 4063 7499 9538 12762 2431 5975 4366 2847 2204 3608 1 4889 1 6177 2613 6587 1 6964 1 6390 2102 6630 3160 6881 1 6088 3509 3499 1 6152 2072 1 1 6763 1 6278 4563 7426 7963 8142 2902 6481 2620 1 2161 6350 2633 1 C21 H45 N11 O7 21858 45942 58351 22965 53546 29285 57208 25409 55050 42156 74693 21364 47238 132080 30425 20814 52678 22091 48122 25461 52566 20325 49823 22165 52649 21734 44780 22152 47307 28863 53708 22534 45899 48728 50499 23144 47363 25570 24520 22482 47113 21305 46349 27093 54880 186461 193118 23272 52326 29980 28259 25834 54248 23871 24423 C33 H61 N O5 S3 2965 1 1 2964 1 3032 1 3485 1 2980 1 3181 1 1 1 2898 1 2807 1 3070 1 2782 1 2809 1 2895 1 3277 1 3262 1 2909 1 1 1 2926 1 1 1 3240 1 2753 1 2919 1 1 1 3043 1 1 1 3351 1 1 1 1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetradehydro-24,25,26,27-tetranorv + 5.111139 11413 11738 8409 10413 8953 10417 11800 10515 9165 10451 12507 10910 11729 12459 1 10847 11311 10396 13881 11336 13643 10422 11079 10517 12254 10227 12989 10510 13488 11197 12277 11777 14236 8102 8308 11715 12257 3707 3055 10962 15730 11408 12265 10719 12848 17816 19387 11138 12188 1 1 11390 13740 3908 3530 C24 H44 N4 O4 + 5.111034 172388 197036 127586 173450 144765 175199 190642 185724 150652 176773 211497 171998 206033 181204 1 175197 176347 173369 232364 170969 226671 167272 201913 168624 196268 160540 211346 174441 205354 181587 200958 179055 225617 118767 118647 176862 220323 44389 52526 178628 275026 180601 206583 180294 192530 288415 288603 179605 185741 1 1 186971 232903 47939 46348 155.1304@5.118198 7396 8015 17735 1 1 11642 10250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 144388 144384 1 1 1 1 1 1 43021 42334 1 1 5094 1 9914 11117 12906 15771 1 1 10316 1 9425 9527 50374 45054 1 1 1 1 1 4923 195.1224@5.1220975 1 5684 10510 1 1 6922 7354 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67254 71229 1 1 1 1 1 2694 22060 22527 1 1 1 3793 7416 7069 1 8311 1 1 1 6438 6295 5972 26482 24464 1 1 1 1 1 4576 210.1357@5.078025 1 1 1 1 1 5283 1 1 1 10015 14213 1 1 1 1 1 5732 2943 6844 1 1 9818 1 1 1 5960 6859 6984 9246 1 1 1 7933 1 1 8548 1 6579 6547 1 1 13894 13692 1 1 1 1 7125 1 1 1 11459 1 1 3165 C26 H43 N5 O S2 3317 5479 3770 3543 5906 3676 5470 3429 5906 3023 5587 2955 5273 4503 4400 3368 6022 3297 6460 2923 5859 3153 5620 3289 5742 3074 6040 3249 6040 3615 6189 3178 6784 4173 4345 1 6171 1 1 1 6801 3299 6002 3375 6050 5616 5164 3159 5521 4404 4813 2987 5216 2228 2212 Gly Val His 9540 1698 1 9307 1 9705 1 10736 1 1 1 9026 1 1 1 9865 1 9606 1 9070 1 1 1 8920 1 8678 1 1 1 8468 1 9440 1 1 1 8895 1382 1 1 7269 1 1 1 9466 1 1 1 9557 1 1 1 9782 1 1 1 296.1275@5.142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 284.123@5.170315 4528 1 1 1 1 5416 1 5544 1 5331 1 6367 1 1 1 5851 1 7245 1 1 1 7437 1 1 1 4760 1 1 1 3568 1 5267 1 1 1 5553 1 1 1 8701 1 6118 1 5854 1 1 1 2507 1 1 1 5318 1 1 1 326.1579@5.155 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C23 H49 N11 O8 16960 40539 41588 1 46179 24052 54320 1 48117 26633 50404 1 41034 120022 27646 15651 47611 1 44256 19534 46726 1 43999 16881 45880 17145 41681 1 40584 21938 50387 14354 42954 42514 42445 18664 43692 22827 21655 1 40641 13655 41273 20727 49602 181859 180295 17208 46406 25840 26091 20258 45125 20472 20315 324.1835@5.202381 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Pantetheine 6538 1 4000 1 1 1 1 5895 1 8415 7072 1 1 1 1 1 1883 1 3299 3726 1 5218 4035 1 1 3049 1 1 3636 1 1 3649 1 1 1 1 3475 1 1 6831 8661 5575 1 1 1 1 1 1 1 1 1 4400 5218 1 1 300.1095@5.210771 6686 1 1 1 1 1 1 5296 1 1 6291 1 1 1711 1 1 1 1 1 1 1 4973 4716 1 1 1 1 5234 1 1 1 1 1 1 1 1 1 1 1 7018 7095 5771 1 1 1 3729 1 1 1 1 1 1 1 1 1 C16 H33 N11 O5 3325 1 1 1 4033 3124 2151 2646 4124 1 3304 3313 3738 4480 3015 2937 3325 1 4211 1 3440 3042 3814 2904 3664 1 3831 2770 1 1 1 3466 3655 3477 3232 1 3956 2739 1 1 3829 3031 4079 1 4178 7010 7313 1 4122 3183 1 1 3915 1 1 312.1557@5.223041 1 1 1 4835 1 3359 1 1 1 6111 1 1 1 1 1 1 1 1 1 1 1 3539 1 4052 1 3203 1 1 1 1 1 1 1 1 1 4614 1 1 1 1 1 1 1 1 1 1 1 3593 1 1 1 1 1 1 1 691.3984@5.2095594 3007 1 1 2359 1 3167 1 1 1 2849 1 2606 1 1 1 2446 1 2315 1 2477 1 1 1 2541 1 2630 1 2620 1 2958 1 1 1 1 1 2593 1 1 1 2689 1 2377 1 2542 1 1 1 3258 1 1 1 2693 1 1 1 C10 H18 N2 19030 1 1 18935 1 17455 1 15956 1 18708 1 18669 1 1 1 16815 1 10916 1 13492 1 17414 1 18986 1 18585 1 16001 1 18855 1 17957 1 1 1 18910 1 1 1 17683 1 16838 1 16145 1 1 1 5207 1 1 1 13855 1 1 1 270.1075@5.2257724 19564 1 1 17985 1 14968 1 18228 1 19535 1 17749 1 1 1 21240 1 19079 1 19117 1 19981 1 18043 1 18769 1 19769 1 18415 1 18039 1 1 1 24767 1 1 1 17918 1 20937 1 19027 1 1 1 17920 1 1 1 17107 1 1 1 C28 H47 N5 O2 S2 3308 5093 4278 3401 5358 3204 3159 2907 5642 2905 5795 3590 6435 4861 4873 2868 6012 3217 5863 3252 6380 1 5774 3327 6141 3120 6282 3253 6051 3800 5865 3083 5642 4023 4048 3107 5880 2153 1 3602 6331 3471 6503 3161 5292 4599 5101 3315 5486 4610 1 2913 5243 2235 2418 152.0832@5.3614416 1 1 1 10297 1 1 1 1 1 1 1 1 1 1 1 1 1 12820 1 1 1 1 1 1 1 1 1 1 1 2850 1 1 1 1 1 8292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C25 H53 N11 O9 13486 35318 39231 14459 39082 22490 46780 13948 38596 15831 41107 12388 35266 95473 23560 12152 42041 12969 33994 16922 39170 14092 36120 13116 41336 13093 34837 12546 36824 18925 43705 12482 36480 35457 34232 15709 38950 18760 18112 13624 36843 12834 34057 15379 39689 149343 153920 13322 38407 20214 23279 19644 40961 16077 17591 310.1398@5.4247503 1 1 1 1 1 2452 1 1 1 4749 1 2345 1 1 1 1 1 1 1 1243 1 3503 1 1 1 1 1 1 1 1769 1 1 1 1 1 3790 1 1 1 4184 1 1 1 4071 1 1 1 1 1 1 1 1 1 1 1 L-Glutamic acid dibutyl ester 19412 16784 34767 20323 15735 24755 26029 21917 18673 16277 18488 47444 49707 23454 18017 29116 29264 28004 31729 34637 42251 32471 32862 20245 22903 14558 15178 18967 21054 35737 32687 25348 28996 11603 8073 21292 22871 32543 31705 19167 26278 34709 35769 35237 34954 38794 38119 24746 23987 15263 14794 14968 16252 81433 84646 735.4215@5.3178725 2259 1 1 1 1 2096 1 1981 1 1 1 1 1 1 1 2101 1 2036 1 1 1 1922 1 1886 1 1 1 2072 1 1849 1 1875 1 1 1 2148 1 1 1 1 1 2240 1 2378 1 1 1 2061 1 1 1 2264 1 1 1 224.1022@5.323 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 164.084@5.335943 7729 1 1 1 1 17724 1 7551 1 1 1 14023 1 1 1 11007 1 1 1 13708 1 14359 1 11435 1 13222 1 15919 1 17201 1 14041 1 1 1 12997 1 1 1 13511 1 5692 1 1 1 1 1 15808 1 1 1 16668 1 1 1 182.0939@5.332656 1 1 1 16992 1 9756 1 1 1 15097 1 1 1 1 1 12495 1 16400 1 15126 1 1 1 17582 1 7401 1 1 1 17573 1 1 1 1 1 12587 1 1 1 15647 1 15538 1 15164 1 1 1 1 1 1 1 14535 1 1 1 C30 H51 N5 O3 S2 3205 4519 3165 2746 5151 2646 2703 2868 5262 3104 5180 3018 4854 4086 4283 2350 5182 2982 5050 2967 5271 3347 5016 2648 5159 2753 5742 3130 5354 3161 5296 3016 5660 4062 3611 3049 5141 1 1 3296 5708 2915 5987 2594 4520 4080 4130 2636 4872 4066 3930 2244 4641 1 1 C27 H57 N11 O10 10156 26726 22945 11168 29862 20210 37379 10437 29693 1 30115 10432 24306 62718 16101 1 30121 10777 25655 13220 31044 1 27430 10177 29456 9640 26272 11024 26475 17263 31044 10624 27660 22677 22751 12086 29396 14295 13590 11203 27466 1 26408 11445 29549 101122 100696 11818 27350 17076 16559 14992 32672 12247 10646 C15 H29 N O5 11363 8237 16828 14727 8452 12087 10064 10858 1 10790 9294 14481 12056 21907 1 17542 13992 28242 31977 12422 13645 22492 21124 13062 11724 5863 5721 13034 11929 18723 16424 9298 9081 3986 4917 15550 13708 11865 12563 11422 14695 16813 14900 25756 22272 11838 11976 17451 11869 1 1 20900 20809 73855 71956 308.1236@5.446481 1 1 1 3851 1 3862 1 3798 1 1 1 1 1 1 1 4061 1 4270 1 1 1 3564 1 3961 1 1 1 1 1 3893 1 1 1 1 1 1 1 1 1 3753 1 3807 1 1 1 1 1 1 1 1 1 4207 1 1 1 180.0806@5.3821054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 344.1392@5.5030637 6941 1 1 1 1 7609 1 7549 1 6389 1 9805 1 1 1 7172 1 5889 1 6161 1 7909 1 1 1 5901 1 5974 1 7489 1 6867 1 1 1 7864 1 1 1 6524 1 6717 1 7314 1 1 1 7177 1 1 1 7219 1 1 1 TIAPRIDE + 5.395146 10933 1 1 12614 1 9993 1 9608 1 10071 1 12503 1 1 1 11611 1 9276 1 8118 1 9346 1 3004 1 10394 1 9564 1 2382 1 3311 1 1 1 3737 1 1 1 9424 1 3225 1 3503 1 1 1 10016 1 1 1 2659 1 1 1 C32 H63 N O3 S4 2062 3938 2990 2426 3833 1988 4255 2047 4289 2304 4388 2159 3859 3481 3105 2178 4032 1 4508 2086 4129 2256 3745 2256 4116 2627 4037 2704 4057 2461 3976 2259 4097 2896 2656 2440 4457 1 1 2627 4727 2310 4122 2265 3869 3760 3330 2280 4018 2939 1 2067 3802 1432 1 C16 H33 N S2 5513 7105 8429 5067 6287 3499 5221 4730 6095 4982 7141 1 7751 10483 1 8398 1 14011 18504 5265 9218 9898 10648 1 8366 1 5133 5925 7338 8526 10404 1 6581 3645 1 6581 8660 5804 5862 5245 9046 7283 8856 10618 13088 7573 7189 7625 7798 1 1 9699 11972 33419 31576 331.2347@5.507292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C10 H16 O5 13281 18860 10818 18145 16108 16814 18942 16748 18585 12476 14620 14943 21475 14270 1 17871 3976 12380 9642 1 12751 12015 12755 1 13485 13102 18333 13470 21749 1 21104 12954 17523 12236 12569 18273 25719 17440 13785 16294 21666 12861 16499 13615 12954 13628 13947 13792 14203 1 1 14368 15268 11616 10361 391.7411@5.5815897 8388 1 1 8908 1 1 1 8363 1 9168 1 8548 1 1 14444 1 1 1 1 1 1 1 1 1 1 1 1 8227 1 1 1 9196 1 1 15620 10949 1 12785 12511 8168 1 1 25588 1 25089 1 1 1 1 1 1 1 1 1 10731 284.1239@5.4883747 6098 1 1 6005 1 1 1 5473 1 4621 1 5772 1 1 1 5634 1 4665 1 1 1 4337 1 6809 1 5676 1 6181 1 5676 1 5609 1 1 1 6887 1 1 1 8821 1 1 1 6013 1 1 1 5304 1 1 1 5904 1 1 1 C12 H23 N 21773 77509 284562 18632 74697 19666 73306 18457 74094 18368 71699 17286 72094 279868 303711 15420 70478 11008 60652 11488 62440 10814 61155 10053 62501 10371 64795 10786 61173 7113 62818 9181 62259 241749 241905 10184 61871 242764 225742 7476 57857 7367 59331 38284 91517 262054 257019 34060 88595 238180 231862 33890 87246 219472 215821 CEVADINE 1 2853 3283 1 3527 1 1 1 3245 1 3089 1 3141 4199 1 1 3010 1 3153 1 3457 1 3145 1 3355 1562 3248 1 3327 1 3234 1 3175 3225 3331 1 1 1 1802 1 1 1 3313 1 3391 8931 8799 1 3407 1 1 1 3163 2160 1 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1 1 3787 1 1 1 2675 2276 1 1 1 1 1 1 1 1 317.1832@6.665999 1959 1 1 3315 1 2947 1 2869 1 4105 1 3425 1 1 1 1 1 2733 1 2926 1 3350 1 5142 1 1 1 3806 1 3456 1 1 1 1 1 3678 1 1 1 3626 1 2159 1 3300 1 1 1 4030 1 1 1 2852 1 1 1 Phensuximide 10280 10249 1 1 2660 1 1 4938 3587 17727 18653 7636 8103 1 1 1 5991 9415 9695 10128 10440 13595 12635 5009 5331 7206 7453 13959 13720 8038 4873 11570 11958 1 1 23733 24365 15844 16040 5617 8565 7735 8192 1 1 18603 18336 1 1 1 1 7996 9182 15326 15986 517.2827@6.7146096 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 469.2859@6.705684 4328 1 1 3851 1 3902 1 4260 1 3715 2045 4283 1 1 1 3684 1 4451 1 4255 1 1 1 3962 1 3927 1 4310 1 4165 1 1 1 1 1 4710 1 1 1 4292 1 3806 1803 4043 1 1 1 4695 1 1 1 1 1 1 1 20alpha-Dihydroprednisone 5739 3401 1 5934 1 4363 2508 4257 2234 4412 2949 5294 2809 2982 1 4187 2934 5523 3957 4197 3558 3242 2477 4326 3870 4271 3712 5729 5334 7565 1 6616 5907 1 1 5157 5479 5161 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7503 7036 6073 7285 7226 8325 5258 8894 3732 3866 3473 1 6534 3756 10792 1 4103 4715 1 1 3886 5860 1 6162 5921 3961 4835 4885 6023 6072 5788 4112 4376 6802 1 1 6433 6294 37398 36572 C15 H29 N O4 40041 45670 115794 44077 28714 55971 53574 50565 39890 34500 36660 91362 106201 56568 1 71870 72038 61275 68461 73224 93497 75024 75775 48833 55487 32901 35403 53826 58828 123403 102646 55083 68491 26219 25633 49578 52767 87755 87414 38680 58869 77928 86137 83631 82985 87922 88332 53538 47697 1 1 38356 43015 329621 333406 C30 H55 N O2 S3 3765 1 1 4758 1 3738 1823 3692 1 4158 1 4507 1 1 1 1 1 4363 1 4869 1981 3952 1 4346 1 4883 1 4541 2023 4148 2061 4473 1 1 1 4518 1 1 1 4020 1 4383 1 4367 1 1 1 4957 1 1 1 4240 1 1 1 C15 H29 N3 O S 8326 9339 1 1 1 21301 21315 7789 1 7391 10445 6300 1 1 1 1 1 5119 1 6815 8494 6714 1 8384 8199 14405 15081 23489 27993 7188 1 1 1 8238 1 1 1 6667 5756 17974 25938 40452 45067 4583 10109 26280 26878 8278 1 1 1 4704 1 5931 5501 C18 H37 N S2 1 1 8025 3745 3296 1 1 1 3142 2600 4151 3939 3542 4438 1 5240 4808 10411 10502 1 5472 9057 5535 6048 6329 1 1 3715 6333 5131 7097 1 2915 1 1 6476 3880 5864 1 1 7981 8534 8766 10324 9840 1 5529 8438 3753 1 1 8393 9342 20008 20595 12-amino-dodecanoic acid 8015 2712 5060 8160 1 13388 9657 7622 3022 9989 5332 11362 6455 4832 1 7175 1 7483 1 11817 9406 8381 3413 8129 4396 7804 3065 9008 3156 7530 1 7911 1 5477 5595 8783 5206 6594 6677 8921 6898 10736 5417 10159 5759 12474 12400 17669 12865 1 1 8094 1 8363 8383 C32 H59 N O3 S3 1 1 1 1 1469 4636 1635 3882 1 4726 1 3377 1569 1 1 4519 1730 1 1 4382 1 4310 1383 4335 1 4643 1 4946 1 4370 1495 4480 1 1 1 4884 1804 1 1 4220 2009 3224 1 5382 1 1 1 4681 1 1 1 1 1 1 1 212.1068@6.951748 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3476 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 292.1806@7.007646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3304 1 3156 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4524 1 1 1 1 1 1 2822 4265 3425 4851 1 6336 1 1 1 3399 5282 1 1 C19 H26 O 10813 10580 1 22682 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 762.3554@8.151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C18 H33 N O4 8374 1 1 6624 5587 18490 16252 11887 10319 11870 12431 10944 20047 18664 1 13797 1 26321 23027 16220 24078 20073 22897 11959 8171 13808 17404 5089 11825 1 4841 4754 1 1 1 1 3643 31908 29937 7923 12635 32366 39344 24145 23802 21817 22571 1 17390 1 1 13545 9521 29890 59011 228.1906@8.208282 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19643 1 1 4834 1 1 1 1 1 1 1 1 619.3863@8.166 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C25 H43 N9 S2 1 1 1 6928 1 6515 1 9527 3557 6505 3662 5938 4559 1 1 5464 1 7100 4515 9003 5708 10188 6870 10195 7952 10774 2395 8167 5653 11798 1 17359 12532 1 1 6770 4307 6756 6854 17703 1 23684 9583 8552 3003 14821 14671 9774 3483 1 1 12029 6304 15450 14719 C26 H45 N3 O7 + 8.183966 14983 18762 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 210.1608@8.213147 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27729 1 39272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25691 1 1 1 1 1 1 1 1 1 1 1 1-Hexadecylamine 44966 214737 215088 43609 217408 43045 218271 42097 224632 41329 215491 43021 226118 226065 225162 43616 215554 43132 205366 43964 210595 43817 217211 43646 217836 43292 219884 42113 212080 42942 214573 43145 224901 227709 220896 43827 224787 236218 238384 38957 219695 41747 212339 37940 217278 222078 224764 43308 216772 220734 230001 43626 229724 220797 217656 C11 H19 N7 281243 4315 65514 252116 6146 256013 3384 295447 26318 1 1 1 1 1 11468 260306 6960 254739 1 1 1 1 29124 244980 1 352305 37608 280354 35889 248431 1 311277 11460 1 1 229917 32959 1 1 1 63902 266783 1 1 1 118479 3401 293535 1 11844 1 220059 10062 1 1 Cys Pro Ile 26143 67570 67244 23089 64637 20705 63963 23163 68532 23306 67561 20027 68695 50194 56081 20110 60617 22144 61586 15631 56473 23734 64616 21952 61988 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1 1 1 250.1726@8.273065 1 1 1 1 1 1 1 1 1 1 1 14420 1 1 1 1 1 17188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21438 1 1 1 1 1 1 1 1 1 1 1 886.6459@8.292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 820.7695@8.294 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 265.1492@8.2621155 1 1 1 1 1 1 1424 6209 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 347.2303@8.270741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2006 1 1 1 1 1 8542 1 4570 1 11777 1 1 1 1 1 1 1 1 1 7252 1 1 1 6050 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 801.2042@8.328629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 985.4907@8.29829 1 1 1 2683 1 1 1 2623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 361.1755@8.303058 7765 1 1 6872 1 6938 1 6582 1 5589 1 7103 1 1 1 7391 1 6271 1 6697 1 5851 1 6837 1 5985 1 6554 1 5219 1 6671 1 1 1 6949 1 1 1 5826 1 5246 1 7384 1 1 1 6574 1 1 1 6816 1 1 1 968.2482@8.598218 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 740.6158@8.32123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 483.2764@8.346677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 979.3698@8.335 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 501.3044@8.341752 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1984 1 1 1 3072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 499.369@8.342984 7611 3112 5127 7435 1 1 1 6471 1 7546 1 7333 2064 1 4754 7208 1 8271 1 1 1 7315 1 1 1 8217 1 8057 1 1 1 6365 1 1 1 8087 1 1 5012 7125 1 6593 1 8208 1 6545 1 8276 1 1 1 1 1 1 1 376.0514@8.345314 2047 1 1 1 1 1 1 1 1 1 1 2851 1 1 1 2974 1 1 1 3716 1 1 1 1 1 1 1 1 1 3789 1 1 1 1 1 4267 1 1 1 3807 1 3481 1 3599 1 1 1 1 1 1 1 1 1 1 1 883.4617@8.348 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 984.9016@8.349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C20 H35 N11 1 2277 1 1 1 1 1 1 1 1 1 2768 4518 1 1 2102 1752 2009 3116 1 3330 1973 2812 3282 3919 1 1 1 1 1 1 1 1 1 1 4143 5144 1 1 1 1 1 1 1 1 3366 3509 1 1 1 1 1 2209 1930 1 981.9289@8.337257 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5212 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Sulfamethazine 69584 4076 13753 71429 4636 71950 4498 71086 5104 70101 4712 74138 7902 12633 13170 67202 4426 67903 4289 70407 4251 71433 4240 71719 5135 68836 4319 69732 4831 65498 4707 66892 4924 13511 13752 68511 4528 11767 8976 63784 4720 68131 3913 71235 5393 13302 12877 70479 5806 13468 12926 71390 4554 9453 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1 1 1 1 1 1 1 1 1 1 790.3164@8.452 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 869.2181@8.515703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C9 H19 N O 53840 184388 81173 55363 163599 53756 160776 55855 175359 55585 169131 59004 170937 89611 84063 54140 155334 57656 169278 58236 158359 53302 178073 51932 179499 57213 178384 55466 178006 57175 189678 54560 175914 90236 86362 54543 174304 65836 65138 47096 181026 52609 175739 52759 154080 91048 95327 52926 172497 96486 88605 53742 162039 58860 64425 C14 H34 Cl N5 O2 3502 1 1 1 1 1 1 1 1 1 1 2671 2893 1 1 3038 2863 1 3306 1 1 1 3395 24775 26538 1 1 1 1 1 1 1 1 1 1 1 3178 1 1 4471 3949 1 1 1 2594 1 1 1 1 1 1 1 1 7518 7534 802.2755@8.485622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 873.3642@8.525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 254.152@8.526487 8834 8446 1 11446 1 11136 1 14967 1 1 1 7401 1 1 1 1 1 13482 1 3836 1 1 1 6558 1 1 1 9270 1 13723 1 1 9588 1 1 12129 1 1 1 5341 1 5554 1 16193 1 1 1 1 1 1 1 13235 1 1 1 808.1883@8.532869 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 276.1345@8.524904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5536 1 1 1 1 1 1 1 1 1 1 1 1 1 4014 1 1 1 1 1 1 1 2499 1 1 1 271.1837@8.5271845 1 1 1 1 1 6405 1 7706 1 5616 1 1 1 1 1 6809 1 8492 1 5150 1 5275 1 1 1 1 1 7815 1 9604 1 7125 1 1 1 8317 1 2904 1 1 5181 5440 1 9189 1 5533 5956 8157 1 1 1 5113 1 1 1 506.169@8.532052 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 264.0761@8.533174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25914 4919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 166.0777@8.482439 1 1 1 1 1 1 1 1 1 21372 18960 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 189104 82576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 550.1328@8.530664 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2706 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C18 H35 N O4 1 4023 1 4717 1 4793 1 4461 1 2995 1 3876 4272 4121 1 4505 1 3743 4337 5844 7500 5870 7459 14120 16041 3732 4264 5679 6321 15343 1 5662 7494 1 1 1 1 4657 1 1 13529 9098 11711 6520 6526 7883 8525 7050 4694 1 1 1 5121 17825 17782 814.2064@8.530264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4299 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.0578@8.533565 1 1 1 1 1 1 1 1 1 2629 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15946 4386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 259.1269@8.535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 815.5022@8.567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 854.9997@8.572 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.3438@8.596804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2938 1 2610 1 3572 1 1 1 3076 1 1 5316 10027 1 1 1 1 1 1 1 4195 1 3409 1 1 4497 3964 1 1 1 1 1 5749 1 1 224.142@8.582697 1 5413 6749 1 4281 1 1 1 4869 1 5245 1 1 7155 4144 1 5022 1 1 1 4192 1 4642 1 1 1 4844 1 4430 1 5052 1 4425 6220 7883 1 6580 5913 6051 1 5436 1 4511 1 5063 5057 6128 1 4691 4658 1 1 5350 5557 1 637.2962@8.586834 2400 1 1 1 1 1 1 2261 1 1 1 1454 1 1 1 2120 1 1 1 2038 1 1906 1 1868 1 1984 1 1760 1 1773 1 2138 1 1 1 1974 1 1 1 1740 1 1951 1 2221 1 1 1 2285 1 1 1 2458 1 1 1 C16 H34 N2 O2 6809 10789 7882 6679 10556 7240 9565 7389 10755 7173 11676 7215 11261 7238 6494 6873 4646 6822 1 7328 10906 7427 11703 6909 12881 7301 10590 7149 12470 8561 9338 6850 11080 7064 7325 7516 12470 5327 5155 7671 11471 7111 10918 7010 11686 7839 8053 7571 12226 7157 1 7849 11496 1 1 C19 H38 N2 O3 7170 57758 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.3256@8.693887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C22 H37 N7 O2 1 1 1 9685 7251 12636 9998 12036 10572 8064 8261 6792 7746 9398 1 13369 11114 13444 16118 15051 22362 14175 16417 28007 30248 1 1 13899 17391 17991 1 7049 8367 1 1 7542 8246 1 1 45700 77215 33190 36572 42940 44687 67771 65805 68008 64011 1 1 4830 6183 2828 3314 471.2951@8.6285515 1 1 1 1957 1 2628 1 2676 1 1885 1 1 1 1 1 2499 1 2538 1 3239 1755 2814 1 5774 1 1 1 2667 1724 3716 1 1 1 1 1 1588 1 1 1 13063 7736 7041 3047 9318 4311 5965 6250 15827 6864 1 1 1 1 1 1 C22 H35 N7 O 1 1 1 5401 4329 5667 6952 6387 5882 4332 5124 3002 3942 5573 1 7062 6288 5820 9287 8022 12029 7842 9223 14947 20076 2363 2987 6958 10194 9577 1 3339 4874 1 1 3653 5212 1 1 23694 44539 15688 20417 20599 23412 39651 38869 33887 37397 1 1 1 3567 1 1 559.3257@8.613493 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1954 1 2306 1 1 1 2646 2962 1 1 1 1 1 1 1015 1 958.9574@8.741522 1 1 1 8649 1 17323 1 1 1 1 1 1 1 1 1 8124 1 1 1 1 1 1 1 1 1 20427 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21881 1 1 1 1 1 1 1 1 1 1 863.2475@8.677 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 784.188@8.87855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9800 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.2578@8.731793 1 1 1 1 1 1 1 1 1 1 1 6146 6410 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4071 4591 1 1 1 1 1 1 6205 3331 249.1708@8.669578 8838 1 1 9648 1 9905 1 10717 1 11406 1 8926 1 1 1 11109 1 11025 1 1 1 10176 1 12772 1 10179 1 11830 1 8800 1 10372 1 1 1 11318 1 1 1 9312 1 9495 1 11248 1 1 111818 9940 1 1 1 11793 12876 1 1 594.3396@8.71619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 351.22@8.727 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.2257@8.731271 1 1 1 2890 1631 1 1 7276 6582 2617 2376 1 1 1 1 1 1 1 1 3562 5357 1 1654 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3735 3781 4057 3641 3390 3379 1 1 1 1 1 1 1 1 C26 H39 N O10 1618 1 2920 25171 17040 10288 8205 70998 59482 18053 23748 12046 14797 5279 1 15820 14476 7327 8504 30681 49134 13922 16951 3454 3009 9098 9700 6424 7497 12884 1 10669 15355 1 1 11560 11483 7485 7671 1931 3157 32938 36481 36867 34258 28096 28210 5057 4061 1 1 7854 10371 2484 2567 530.2129@8.732973 1 1 1 4998 1 1 1 14856 4618 3221 1 1970 1 1 1 2934 1 1 1 5872 3638 2595 1 1 1 1 1 1 1 2202 1 1 1 1 1 1924 1 1 1 1 1940 6892 2583 7702 2518 1 2483 1 1 1 1 1 1 1 1 862.721@8.63754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C19 H35 N O4 11711 1 1 3289 1 24129 21975 10546 1 10293 1 29287 36097 4729 1 3349 1 20017 22713 18732 24705 5619 28769 23790 30419 10776 1 3503 1 7707 1 3792 1 1 1 20724 22971 16498 15688 13286 1 15042 1 4088 1 19052 15249 15823 1 1 1 12622 1 15266 50059 821.7068@8.971537 1 1 1 1 1 4623 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 592.3214@8.746974 1398 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4352 1 1 1 1 1 1 1 1 1 1 1 1 1 6416 1 1 1 1 1 1 1 1 1 1 1 826.2124@8.773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 594.3385@8.814208 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 329.2557@8.820691 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2336 1 1 1 1 1 1 4418 4626 120.0436@8.827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 908.9998@8.827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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2740 2560 12905 3927 1 1 1 1 1 1 924.0038@8.949571 1 1 1 1 1 1648 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 897.3711@8.854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.2809@8.871597 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3169 1 1 1 1 1 1 1 1 1 1 1 1 1 3360 1 1 1 1 1 1 1 2570 1 1 1 1 1 1 1 3060 6286 6722 935.8516@8.855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 919.5496@8.855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 857.5512@8.893701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1080 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C19 H35 N O4 + 8.797628 1 1 1 12089 1 1 1 1 1 1 1 3941 1 1 1 9626 1 1 1 1 1 23187 1 6270 1 2492 1 8067 1 27553 1 12435 1 1 1 1 1 1 3894 1 1 1 1 13309 1 6244 4552 2447 1 1 1 1 1 50280 5711 482.1954@8.866711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C29 H45 N O S 6358 10136 1 5291 3940 3124 1 1 1 1 3561 8095 10749 1 1 7371 3734 10325 15564 1 6364 4855 8105 8213 12963 1 5354 1 6178 1 1 5371 8780 1 1 12960 19332 3015 3394 7351 13001 1 6327 8803 10839 12475 11334 5175 6138 1 1 6138 10814 5470 1 Pentazocine trans acid 5056 1 1 8986 1 1 1 8104 1 6137 1 7601 1 1 4518 8300 1 6741 1 6654 1 6800 1 7145 1 6000 1 5583 1 7861 1 5547 1 1 3783 9254 1 5473 5345 8872 1 8312 1 8330 1 3176 5068 5956 1 1 7321 10473 1 5541 5220 293.2076@8.872339 11750 1 3524 1 1 12342 1 1 1 1 1 1 1 1 7867 1 1 1 1 13623 1 1 1 1 1 11775 1 1 1 12828 1 1 1 7387 7234 12534 1 8812 3307 1 1 1 1 14178 1 8790 1 13292 1 9493 8438 1 1 8386 4263 504.2686@8.881809 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3132 1 3583 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 870.0391@8.85791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 910.9195@8.892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 901.1965@8.892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 571.2083@8.952879 1 1 1 1 1 1 1 2682 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 921.4759@8.901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.6217@8.942455 9277 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68964 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21004 1 17459 1 1 1 1 1 1 1 1 1 1 1 970.2825@8.908 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 977.4135@8.932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 864.0052@8.933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C19 H35 N O4 + 8.953693 4597 1 1 6674 1 1 4176 4743 1 3378 1 11880 14416 4942 1 8984 1 10490 11484 10794 17416 5722 7504 6900 7239 4660 1 6630 7505 14689 1 1 1 1 1 7805 11173 9406 3426 6786 12887 9184 11063 11560 12654 13583 13691 11165 12676 1 1 8252 12580 7932 29185 752.0752@8.949 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 863.6994@8.927975 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1593 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11081 1 1 1 1 1 1 1 1 1 1 1 830.1932@8.951 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 557.4118@8.948205 1 1 1 7631 1 1 1 4746 1 1 1 7093 1 1 4660 4044 1 6565 1 5939 1 1 1 7621 1 1 1 7706 1 5879 1 5013 1 1 1 3752 1 1 1 6495 2249 6731 2438 1 1 6181 5838 6828 1 5142 1 6821 1 4056 1 865.8855@8.96 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 785.0944@9.066778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3286 1 1 1 1 1 1 1 1 1 1 1 1 1 977.8614@8.972 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 828.9327@8.89849 1 1 1 1 1 1 1 1 1 1 1 6984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1109 859.7619@8.973 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 859.5685@8.98 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 280.1656@8.937965 1 1 1 1925 1 2260 1 1 1 1 1 1 1 1 1 1 1 1 1 1553 1 1 1 1 1 1 1 1 1 1 1 1805 1 1 1 4423 1 1 1 1 1 1 1 3861 1 1 1 1 1 1 1 1 1 1 1 10-hydroxy-8E-Decene-2,4,6-triynoic acid 20303 38322 20811 20157 24562 30765 27729 29536 35839 22736 25207 23417 30267 29766 15164 19787 21537 21721 24564 18656 29228 16922 25544 20735 27436 20863 35196 21276 43268 20817 21676 17642 26078 20179 21292 26616 40998 14617 15475 22514 42217 20808 29608 19060 23342 34068 33097 21241 21507 14904 15690 22307 28123 13060 11907 C8 H4 O3 11789 19285 12536 15267 14500 16866 15853 18973 19383 14439 14594 16227 14643 17221 1 13020 7543 13137 13341 12067 17395 11086 14750 12785 14056 14231 17998 15116 22681 14661 12448 12083 15128 11697 12896 16493 22301 1 7105 14378 22166 13237 17905 12910 13730 19318 18047 12975 12565 1 1 15364 15123 6458 1 222.0906@8.986021 1 1 1 1 5549 5251 1 1 8085 1 5701 1 1 1 3300 1 5552 1 5985 1 1 3202 1 1 5846 3542 1 1 1 4068 1 1 1 4806 4123 4174 1 1 1 1 1 3648 6929 1 1 8312 1 1 1 1 1 1 1 1 1 921.0025@9.041425 1 1 1 1 1 1 1 1 1 1 1 1 74064 1 1 1 1 1 1 1 1 1 1 1 1 1 74690 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 681.3465@8.993002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1361 1 1 1 659.3667@8.984867 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1405 1732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2090 3512 1 1 122.0403@8.995647 14348 1 1 1 1 12953 1 1 1 1 1 14415 1 1 1 12110 1 1 1 12513 1 1 1 12364 1 1 1 12643 1 1 1 12393 1 1 1 1 1 1 1 12735 1 12432 1 15236 1 1 1 1 1 1 1 1 1 1 1 C8 H17 Cl N4 O 13960 1 4913 12389 1 10344 3329 9960 5022 9655 4667 13819 5298 4799 4970 10452 1 10347 4590 9137 4575 9311 4973 10717 4271 10440 4999 9788 4867 10478 4641 10185 5317 1 4956 11074 4776 4475 1 10573 5155 9449 5018 11722 4785 1 4944 10961 4742 5468 5284 11686 4775 4883 1 p-Coumaric acid 22408 1 10024 22217 9857 22158 1 21101 10993 22503 10080 21562 11445 1 1 21466 10243 20718 10553 22744 10528 20786 9322 21190 11161 21192 9668 19993 10916 1 10163 16303 11067 10901 1 22105 1 10095 8944 21353 9719 21389 11090 21966 10763 1 1 22257 10244 1 1 22385 10896 1 10415 3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione 48105 9707 7143 57471 8576 64981 8974 46764 1 50142 1 61775 8990 7447 7024 62633 7645 42481 7880 60449 7621 41910 8741 59960 1 52838 8114 44672 7398 66760 1 49034 1 7136 6992 67389 8834 7930 8416 56133 1 60216 7627 67953 8401 7360 7387 54660 1 6565 1 58725 8627 12216 9936 3-Hydroxy-4-methoxyphenylacetic acid 16312 9531 8366 16705 8755 17930 9334 16925 9234 17239 9235 17168 9619 8865 8659 17866 9080 17035 9242 15792 9274 17061 8524 15321 9253 17920 8982 17017 6852 16998 9335 15608 7257 9911 9230 18306 8304 8777 9729 1 10320 17482 9194 16189 9852 8943 1 16017 9613 8253 1 16035 10068 8336 8529 cyclandelate 14095 8356 8881 16150 6653 16810 7645 15545 7633 16803 8800 15760 7979 7688 7009 16302 6989 14967 6725 18951 6683 14541 6530 17589 6838 14310 8291 13107 6362 17931 7353 14879 8459 7527 6806 16443 6665 7284 6344 15814 7401 14645 7143 18216 6311 7958 8500 17141 6884 9790 9002 15836 6975 6855 6511 C13 H14 O2 12103 6547 5148 11414 5492 10945 5305 11490 5814 11565 6054 11297 6061 5576 5614 11008 5736 10911 5772 10951 6411 10611 6040 11346 5542 10425 5242 10908 6389 11325 5507 10154 6017 6069 6370 11185 5774 5704 5643 10677 5910 11131 5552 13265 5827 6306 6187 11291 5990 5940 6127 10591 6772 5540 1 338.1492@8.997013 5162 1 1 1 1 5263 1 4184 1 6125 1 5665 1 1 1 1 1 6082 1 1 1 1 1 6244 1 5610 1 6384 1 6268 1 6233 1 1 1 1 1 1 1 4877 1 5482 1 5206 1 1 1 5371 1 1 1 5525 1 3314 3452 RETUSOQUINONE 16065 6582 6639 15660 6465 14895 5605 12436 6776 15024 7155 15536 6227 6007 1 14324 6084 13736 3767 13791 6874 13414 6627 13974 5929 13883 6950 14756 6729 13700 6581 14011 6516 1 6977 13498 6181 1 6155 13882 7408 14224 6502 14838 1 6599 7072 14542 6350 6233 1 15372 6568 5670 1 442.3005@8.9990425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1800 1 1 1 1 1 1 1 1 1 1 1 500.3084@9.002797 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5144 1 1 1 1 1 1 1 1 1 1 1 875.2312@9.015 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 385.2779@8.975176 3447 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2588 1 1 1 1 1 3111 1 1 1 1 1 2575 1 2391 1 1 1 1 1 1 1 1 1 2307 1 1 1 1911 2433 2765 2365 1 1 1 1 2982 1 4705 4461 436.1997@9.0496855 5344 1 1 1 1 1 1 1 1 5313 1 1917 1 1 1 6134 1 1 1 5590 1 1 1 1468 1 6296 1 4764 1 4513 1 1 1 1 1 1 1 1 1 6097 1 6085 1 7762 1 1 1 1 1 1 1 6425 1 1 1 784.1705@8.940487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32157 1 1 1 1 1 1 1 1 1 1 1 1565 1 18975 1 1 1 1 1 1 1 1 1 1 1 864.9718@8.935196 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.7733@9.06357 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 873.1329@9.047 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 728.2898@9.059316 3655 1 1 3825 1 3994 1 3431 1 4000 1 4437 1 1 1 3921 1 3008 1 4637 1 1 1 4309 1 3978 1 3263 1 3670 1 3061 1 1 1 4498 1 1 1 3319 1 3343 1 4630 1 1 1 4696 1 1 1 1 1 1 1 912.3377@9.073 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 865.1208@9.074 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 877.7555@9.076 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 825.3144@9.078 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 561.3386@9.092015 1694 1 1 4774 1 2100 1 3382 1 1 1 5323 1 1 1 4711 1 2720 1 7505 1 4500 1 6891 1 1 1 1 1 10936 1 7090 1 1 1 3824 1 1 1 9218 1 8699 1 5433 1 6031 6472 1 1 1 1 10113 1 1 1 C19 H35 N O4 + 9.0853195 6285 1 2985 7327 1 8150 2410 4663 1 4687 1 9570 10805 1 1 7549 7522 12500 13748 9662 14150 11544 12434 6845 7289 2835 1 5930 1 12796 1 5422 1 1 1 9667 10162 7597 6973 9066 12174 10924 9972 14111 13654 12615 13230 13719 11761 1 1 9094 12463 30496 27609 C29 H53 N3 O2 S2 1 6990 1 1 4684 3075 3482 3887 6692 2810 6176 1 9580 1 1 1 2550 3103 8409 7235 17935 9104 20404 9902 20352 2843 1 7530 19128 6376 1 7975 38043 1 1 3477 6485 1 1 8599 18300 3364 14394 5732 7035 23800 26863 4890 9210 1 1 9409 21685 2516 1 Ubiquinone 8201 8876 1 15370 9030 7280 5652 7755 6134 9338 9132 15753 15543 8165 1 9587 8004 10925 10108 8456 10416 9880 9949 9979 9110 9270 9423 10440 13101 10014 1 10587 11000 1 1 7200 8248 2741 1 1 10262 8053 9383 11469 8749 19884 20190 7040 6514 1 1 12518 15480 6131 5942 208.1135@9.097678 1969 1 1 4227 1 1 1 1 1 1 1 4744 5199 1 1 1 1 1 3443 1 3910 1 1 1 1 1 1 1 1 1 1 1 2884 1 1 1 1 1 1 1 1 1 2092 1 1 5262 6065 1 1 1 1 1 5210 1 1 268.1323@9.097034 1 1 1 1 1 1 1 1 1 1 1 4260 4773 2759 1 1 1 1 3925 1 1 1 1 1 1 1 1 1 3740 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6299 1 1 1 1 1 1 4986 1 1 290.1132@9.096121 1 1 1 4948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3171 1 1 1 1 1 3795 1 1 1 Cyclohexanone, 4-[1-hydroxy-1-phenyl-3-(1-pyrrolidinyl)propyl]- 1 1 1 2402 1 2782 1 1 1 2505 1 1 1 1 1 1 1 3441 4996 1 1 1 1 1 1 1 1 1 1 3484 1 2356 1 1 1 4596 1 1 1 3053 5368 2280 1 4993 1 1 1 1 1 1 1 4478 4017 4790 4719 827.5859@8.948269 1 1 1 1 1 1 1 1 1 1 1 9407 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 910.7713@9.116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 924.8004@9.027576 1 1 1 1 1 1 1 2126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.2322@9.116638 3241 1 1 2501 1 3034 1 1 1 3014 1 1 1 1 1 1 1 1 1 1 1 1 1 3509 1 1 1 1 1 5555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 334.2105@9.138065 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 462.227@9.127605 1 1 1 1 1 1 1 5798 6099 2852 3025 1 1 1 1 2096 1 1 1 1 3747 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4755 4746 6149 5587 2805 2954 1 1 1 1 1 1 1 1 427.1619@9.146259 1 1958 1 1 1 1 1 6097 6359 1 1 1742 1926 1 1 1 1 1 2946 1 1 1 1 1 1 1652 2676 1 1599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2747 1 1 1 1 1 1 1 2597 2885 348.1475@9.147319 1 1 1 1 1 1 1 6309 8106 1 1 1 3694 1 1 1 1 2766 4767 1 3362 1 1 1 1 1 3901 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1787 4589 4755 4836 1 1 1 1 1 2979 5685 5043 901.2255@8.981729 1 1 1 1 1 1 1 1 1 1 1 1551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Met Thr Gly 14483 14483 1 12071 6472 6363 1 54403 41242 1 8069 14119 16893 1 1 1 1 19904 23397 13423 16698 1 7459 1 1 12128 18372 11041 14448 13918 1 6983 10711 1 1 8271 9903 4540 1 4854 8109 1 1 24668 19509 21666 23117 14518 10672 1 1 11887 14141 27553 25510 C27 H44 O12 S 2815 5829 1 2202 1 1 1 34817 32633 1 1289 3054 6767 1 1 1 1 5640 12478 1890 6225 1 1 1 1 2981 7747 1 5217 2798 1 1 2591 1 1 1 2138 1 1 1 1799 1 1 7946 9057 10238 10904 2958 2491 1 1 1953 5230 12404 11191 PIPERINE 72353 101188 5563 59929 45158 33493 43849 283557 309125 36581 53321 70941 119009 12656 1 13066 12995 103419 158651 60623 111861 32118 46822 4449 6844 72338 126136 51015 98479 66542 8136 35752 69562 1 1 41405 66761 21498 22394 22671 55045 8998 12830 120626 153709 121723 119753 69536 83144 1 1 57063 100095 132270 125140 C14 H17 N3 O4 S 3151 12543 1 1 5439 1 4752 10880 27223 1 6583 1 14742 1 1 1 1 4844 18368 1 12652 1 6342 1 1 1 15756 1 14016 1 1 1 8740 1 1 1 8960 2803 1 1 7416 1 1 4253 13356 12702 12564 1 7830 1 1 1 11473 10154 9597 549.2259@9.145787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2098 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3848 1 1 1 1 2271 1 1 1 1 1 1 1 1 1 571.2076@9.146363 1378 1 1 2812 1 2723 1 1 1 1 2288 2305 1617 1 1 1 1 4726 3425 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5445 7052 3622 2260 1 1 4729 4663 1 1 1 1 1 1 1 1 343.192@9.167386 11119 1 1 7944 1 1 1 35610 1 6817 1 9623 1 1 1 1 1 15413 1 9303 1 1 1 1 1 10405 1 7765 1 9434 1 5204 1 1 1 6250 1 1 1 3204 1 1 1 14563 1 1 1 9300 1 1 1 7477 1 1 1 791.0259@8.908517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5025 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 828.9475@9.108116 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4093 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 622.3338@9.153575 4291 2546 1 7402 2987 1609 1 1383 1 12340 10514 1901 1 1 1 1 1 2003 1575 1 1 11316 10411 1 1 1 1 1 1 1 1 7428 6822 1 1 1 1 1 1 28271 2401 1663 1 1 1 1 2171 8721 6353 1 1 12517 13137 1 1 C21 H24 4296 1 3079 3514 1 3794 2194 3732 3125 3285 1 4586 1 1 1 4718 3704 4640 1 7451 3618 3133 3213 5719 1 2992 1 2929 3760 4751 1 2376 4096 1 1 3667 1 1 1 3662 3558 3654 3325 3545 1 1 1 6361 1 2489 1 2951 1 1 1 365.2535@9.13009 1 1 1 1 1 1 1 3980 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4566 1 2561 1 1 1 1 1 3687 1 1 1 3557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 343.2679@9.2451 1 1 5991 1 7509 1 1 1 12528 1 14386 1 1 1 1 1 13663 1 1 4128 1 1 1 22327 26473 1 8594 1 1 8722 5849 9836 8895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2788 3656 832.8172@9.194 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate 3089 16813 16114 6800 15839 5786 13467 4049 15732 1 14631 1 16127 15609 15412 6163 17472 5780 16834 5241 16421 1 15557 5472 15169 4915 17023 1 18056 3762 17145 5470 14965 17259 16759 4484 16372 16511 15677 5020 16516 4207 14789 1 16341 16066 16145 5131 17500 18301 18615 3423 15494 13560 14732 Biliverdin IX 2471 8640 1 1 4798 2810 15519 1 9123 1 17382 4287 20547 1 1 1 6890 1 8511 2948 33058 1 21164 1414 17163 1 10124 1 9949 1 2902 1 18261 1 1 2248 10732 4577 4354 1839 30556 2825 34069 2854 16861 54940 52467 2956 26913 1 1 1 28495 1 2054 326.0003@9.234747 1 23323 1 1 1 1 7913 18519 19264 1 20085 1 1 14870 1 1 16277 1 1 15456 25675 1 16443 1 1 17347 25662 16041 24013 1 1 1 21631 1 1 1 28833 13795 1 1 35580 16919 22448 1 1 34671 34647 13236 18212 1 1 16788 25904 1 1 C26 H28 O6 4201 1 1 1 1 2867 1832 5386 6309 5715 4308 3792 1987 1 1 5817 3987 2255 1 4689 4458 1 1 3811 1 3048 3032 8104 3164 2901 1 4101 5137 1 1 2923 1 2196 1 5454 4129 4502 3436 6686 4655 7539 2397 1 1 1 1 3485 3143 1 1 792.7528@9.1080475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 971.0005@9.08002 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3031 1 4312 1 1 1 1 1 1 1 1 1 1 1 1 1 C29 H47 N O S 8005 13226 3370 9058 8024 4162 3698 7288 7300 5553 8099 14469 24663 12262 1 7093 5374 8636 14581 7508 15148 7560 14020 8541 13731 4810 7058 5343 10533 3959 1 9482 19055 1 1 17858 24684 5274 5520 7427 14487 6479 9188 13460 14407 20154 19999 4390 6196 1 1 7480 11896 5593 4798 389.2519@9.301535 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2072 1 N-arachidonoyl D-serine 1 1 1 1 1 2843 1 1 1 1 1 1 1 1 1 1 2766 3545 3491 1 3215 3672 4429 1 1 1 1 1 1 2390 1 1 1 1 1 1 1 1 1 1 1975 2450 2992 1 1 1 1 1 1 1 1 1 1 3328 2892 C21 H37 N O4 12347 16330 1 10600 8800 17694 17214 8422 8895 1 7171 48696 69694 4619 1 21074 21469 21658 28841 17930 30748 30421 39581 25138 33447 1 7109 10200 17507 31320 6090 12301 17815 1 1 31390 39564 8424 7507 12115 22152 11721 15546 18905 20068 28041 27513 11227 10978 1 1 17576 25218 50301 47421 PIPERINE + 9.30038 12709 14643 1 9739 6967 5418 6234 48288 44798 7488 8068 12523 18172 1 1 1 1 20361 26394 11023 19293 6276 8352 1 1 15660 22650 11149 17279 8941 1 7333 11216 1 1 6566 10629 4698 4219 1 7778 1 1 27539 36033 20736 19547 16953 20770 1 1 14846 22604 28376 25217 315.1814@9.401041 1 1 1 1 1 2252 1 1 1 5119 1 3364 1 1 1 1 1 1 1 2684 1 1 1 1 1 2854 1 1 1 3166 64078 3249 1 7370 1 1 1 1 1 1 1 3122 1 1 1 1 1 3766 1 1 1 1 1 1 1 C20 H37 N O4 1 5596 1 9633 6647 1 5146 10370 9069 6329 8437 9346 15856 1 1 7835 5400 11859 8222 18981 28664 17047 21497 33114 46437 5764 1 6409 1 1 1 13310 21056 1 1 5292 8896 13067 13664 19221 34452 11234 15445 1 10722 18845 19949 12931 14879 1 1 1 11922 31586 30515 211.1921@9.318569 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 199.229@9.345844 1 5307 1 4411 1 4523 3526 5213 1 5160 1 1 1 1763 1 1 1 1 1 1 1 4307 1 1 1 4598 5045 5125 1 1 1 1 1 1 1 1 1 4035 1 4246 6017 1 6015 4674 1 5913 1 1 1 1 1 4970 4442 1 1 584.2656@9.35695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2696 1 1 1 1 1 1 1 1778 1 1 1 1 1 1 1 2119 1 1 1 821.5924@9.367426 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355.2709@9.3489685 3886 1 1 1 1 7827 1 1 1 1 1 1 1 5773 1 1 1745 1 5960 1 1 1 1 1 1 1 7512 1 10639 26105 5255 1 1 1 1 1 1 1 1 1 1 1 1 12347 1 1 1 1 1 1 1 8254 1 1 1 C16 H33 N O3 14275 171508 95249 19866 171588 15027 165256 18748 170181 16711 175434 16106 3681 96452 92070 14565 2320 14958 175570 14412 174538 13940 173840 13735 167607 12760 168168 12327 3529 15488 165168 16389 161987 93546 94933 17499 3322 86819 89747 12519 176301 15021 165538 14780 3051 99668 100987 12088 171416 95670 93666 15441 3834 89340 87499 C15 H33 N O 6744 1 1 6693 1 6159 1 7155 1 7062 1 7336 1 1 1 6742 1 6693 1 6043 1 6399 1 6662 1 6075 1 6663 1 7077 1 6913 1 1 1 6575 1 1 1 6073 1 6943 1 7006 1 1 1 7552 1 1 1 6659 1 1 1 343.1942@9.391747 1 1 1 1 1 1 1 20952 1 1 1 4176 1 1 1 1 1 8990 1 4403 1 1 1 1 1 6538 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12608 1 1 1 6311 1 1 1 5390 1 1 1 307.1185@9.39057 4098 1 1 1 1 1 1 17270 13358 1 1 1 1 1 1 1 1 6228 8405 1 1 1 1 1 1 5167 5988 1 5042 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8413 8607 8875 1 1 1 1 5022 5658 11034 11472 PIPERINE + 9.393668 32935 43831 4855 24642 22107 14297 17783 137687 143393 18049 24715 33162 56723 8471 1 6585 6345 56289 79070 31573 56404 17158 24640 1 3313 37836 62404 30569 52530 28532 5195 20498 35964 1 1 20221 30992 11439 11462 9675 19424 3521 4981 77557 100603 63793 65881 47119 55111 1 1 37269 64489 80390 79438 387.2964@9.399617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C15 H33 N7 O2 18453 18728 1 15590 1 29567 25641 17411 1 9934 1 48760 63806 12468 1 17901 1 23502 33521 27707 40694 29073 38848 21227 24948 11921 1 14753 17926 46379 1 11889 16370 1 1 20788 24612 17279 16881 16721 18503 25440 29047 58624 55943 36699 35543 21347 19411 1 1 15068 18514 74732 73396 365.2535@9.493343 1 1 1 3735 1 2100 1 1 1 1 1 2748 1 1 1 1 1 1 1 2575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3871 1 1 1 1 1 1 1 1 1 1 1 1 1 3411 3446 809.3651@9.472278 3236 1 1 3375 1 3452 1 3637 1 3436 1 3297 1 1 1 4028 1 4058 1 3863 1 3918 1 3361 1 3986 1 3643 1 3215 1 3446 1 1 1 3646 1 1 1 2953 1 2840 1 3790 1 1 1 4378 1 1 1 3673 1 1 1 814.3241@9.47245 1 1 1 3596 1 4039 1 2683 1 3561 1 3394 1 1 1 3868 1 2930 1 3197 1 1 1 4116 1 3969 1 2474 1 1 1 2528 1 1 1 4111 1 1 1 3718 1 3300 1 4251 1 1 1 3421 1 1 1 3451 1 1 1 958.953@9.469774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 442.2268@9.507845 1 1 1 3482 1 3316 1 3268 1 3118 1 2937 1 1 1 3265 1 2884 1 2853 1 2641 1 3561 1 3442 1 3296 1 3546 1 2995 1 1 1 3450 1 1 1 3357 1 2794 1 3111 1 1 1 3258 1 1 1 3297 1 1 1 908.0405@9.51 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 346.1628@9.512046 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C17 H33 N7 O2 1 2784 1 1 1 1 1916 1 1795 1 1 4825 6178 1 1 1 4661 1 5042 4121 6935 5742 6261 1 8262 6122 1 1 5091 6661 1 3363 4813 1 1 6583 7739 1 1 1 1 1 4079 1 5793 5851 6686 1 3488 1 1 7568 9100 13147 10166 368.1486@9.515211 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Tetradecylamine 11242 1 30789 12084 11115 10397 6791 6914 10532 10420 10198 9146 1 33760 34182 10248 1 1 5177 5729 1 1 9097 10128 9557 1 10544 10631 11266 10134 1 8938 8860 26224 27136 8154 9460 26604 26158 11473 12849 10868 13286 11355 9962 31825 1 11974 8214 28205 30249 10166 1 25813 1 958.956@9.714788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Meradimate + 9.542891 26038 4160 5110 26679 5264 27488 2793 26353 4116 27197 3901 24860 1 5739 5655 24242 1 25853 1 27894 3441 26364 3360 24937 3958 26382 4024 25585 4412 24461 4753 23921 4067 4491 5618 25344 4088 3766 5104 25067 4556 25349 3108 27171 3956 4569 4203 26443 3384 5773 5484 25150 3930 4090 4982 543.3317@9.573468 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3088 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 alpha-Phenylcyclohexylglycolic acid 10912 8399 6500 1 9690 1 8119 9484 8931 8407 10084 8107 8683 6758 5748 1 7836 1 8515 8646 7319 9626 8487 9814 8068 10893 8128 7532 8148 1 8038 8715 7982 1 7226 6841 7696 7478 7517 7854 8160 1 7676 8474 10474 7700 7975 11368 9452 7164 11677 12105 9394 1 5653 3-O-Methyldobutamine 9915 65834 1 1 67571 7683 23022 1 66455 6779 63070 4258 21657 11059 16468 5630 59198 6961 21209 1 39450 9107 68867 11632 68535 7891 5568 7475 65988 11031 5925 8049 60281 7875 15162 1 65935 9051 9116 10231 3550 1 69551 10519 26662 5935 9065 5835 84241 19322 23450 11589 21999 8485 1 386.1851@9.578676 1 1 1 1 1 12107 1 11477 1 12025 1 12043 1 1 1 11758 1 10836 1 10958 1 11322 1 9925 1 11067 1 11590 1 15737 1 12321 1 1 1 11537 1 1 1 16911 1 14935 1 14577 1 13214 12600 13979 1 1 1 14436 1 1 1 C14 H32 O10 S2 9806 12003 4371 10569 6477 9483 8166 11131 7257 9553 10375 10544 11654 7042 1 10442 6553 9383 8796 8099 11176 9283 8461 8019 8491 8890 9543 10056 10434 12249 3715 10217 13952 1 1 10910 11521 8971 8639 14050 24841 12005 14122 12149 9530 20754 21983 10835 7374 1 1 11877 17253 10862 10650 Beclomethasone 9403 7209 1 10578 3518 8808 4170 10337 4528 8710 5486 10408 7191 3334 1 9150 4038 9850 5046 8682 7644 8902 5468 8181 5604 8633 5204 8752 6115 11946 1 9439 8472 1 1 10699 7838 3432 3631 15778 17136 11371 8454 10671 6138 11853 11680 12134 5434 1 1 10518 10438 5241 5068 C21 H40 N4 S3 1 1 1 3454 1 3839 1 3912 1 3375 1 3091 1 1 1 1 1 3059 1 3127 1 3534 1 4116 1 3953 1 3564 1 4736 1 3530 1 1 1 3629 1 1 1 6078 2891 4120 1 4690 1 1 1 4296 1 1 1 4749 2134 1 1 584.2637@9.476573 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3011 1 1 1 1 1 1 1 1 1 1 1 273.1735@9.656829 1 1 1 1835 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2039 1 1 1 1 1 5222 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5830 1 1 1 1 1 1 1 1845 1 1 1 C14 H31 N O 45760 46489 33048 22352 43645 41149 36259 45071 42559 42503 41719 46182 44174 30763 34167 40368 24416 48270 1 40814 45056 41025 45423 44260 44894 43837 45077 44107 44252 42855 46150 44727 44028 29881 33608 45062 42810 24652 24304 40193 46270 43169 41914 40624 42142 45404 47541 42587 45188 28986 35669 42771 43893 21094 20683 C15 H32 N8 S4 1311 3488 1 6165 1 1 1 3316 2266 5838 1 1 2758 1 1 6219 1 6609 1 1 2188 5717 1 6306 1 6356 6438 5811 3457 7065 1 1 1590 1 1 5730 1 1 1 5649 3834 1 1 6264 3772 3334 3794 6427 1 1 1 5663 3070 1 1 277.1999@9.606731 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5659 1 1 1 2453 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.2396@9.616837 1 1 1 1 1 3436 1 1 1 1 1 1 1 1 1 1 1 2725 1 2100 1 2405 1 2405 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2530 1 2446 1 1 1 1 1 2226 1 1 1 1 1 1 1 Lys Asp Trp 11774 1 1 12987 1 11610 1 12683 1 14247 1 11182 1 1 1 14170 1 11365 1 11468 1 10822 1 10888 1 11946 1 13324 1 11898 1 11735 1 1877 1 11452 1 1 1 11379 1 11285 1 11855 1 1 1 11747 1 1 1 12142 1 1 1 Embelin 14151 5143 10254 12775 5375 13383 5157 14475 4677 15319 4783 14385 5382 13546 11094 13678 5571 15237 5215 14140 5538 14014 6199 15154 6256 16195 5189 14404 5950 14766 6516 16276 6100 13832 11318 16328 5581 1 14721 14854 5511 16458 5649 13091 5920 11968 11951 4138 5360 11975 11141 15104 6213 13274 13139 C25 H44 Cl N3 O3 S 1930 4903 1 1 3115 2638 2931 2846 2560 1 3005 3343 4654 1 1 2519 6138 1921 2967 3427 5283 2080 3007 2449 6225 1648 3172 2247 3324 1 1 2714 7712 1 1 2560 3641 1 1 2003 9006 1 3350 3894 3910 7703 7331 3411 2964 1 1 3589 4557 1 1 866.3618@9.674691 1 2240 1 1607 1 2080 2857 1906 1923 2231 3812 2246 6019 1 1 1743 2294 1798 3548 2541 6929 1518 3149 1365 2861 1757 3502 1 4718 1 1 2281 6032 1 1 1907 3727 1 1 1909 8082 1780 3849 2277 3014 7815 7733 1981 2260 1 1 1966 5994 1 1 Arg Val Trp 1 1 1 1 1 1 1767 1 2163 1 3142 2115 3538 1 1 1985 1 1408 2612 3292 3923 1 3354 2078 2506 1 2565 2221 3272 1 1 4625 1 1 1 1 2829 1 1 1 4761 1704 2486 1 3611 4398 4974 1 3440 1 1 1 1 1 1 Ala Trp Arg 192373 245396 15641 225991 151507 265397 283993 251776 229145 260317 300607 301551 430579 50084 1 271528 267454 230500 303049 285283 474167 224122 273274 207425 277463 226543 271727 217828 343320 179432 16535 274261 424318 9348 8852 229907 309057 55674 54161 253055 514080 240436 295645 302211 336624 562017 563126 281961 291380 1 1 267311 417354 85126 84130 498.2544@9.677545 2787 1 1 3104 1 3201 1 3732 1 1 1 4054 1 1 1 3721 1 3332 1 3661 1 3303 1 3030 1 3079 1 3071 1 2357 1 3668 1 1 1 3020 1 1 1 3357 1 3105 1 3526 1 1 1 3815 1 1 1 3835 1 1 1 C26 H36 N2 O6 83173 23653 1 98753 16154 113407 27118 2572 21423 107775 27425 128485 37260 6885 1 1652 23945 100727 30071 123157 41761 98716 27218 93729 29512 1651 28040 1883 34064 83010 1 116607 40691 1 1 105235 31651 7667 7789 112330 46611 105306 30314 2135 29677 61440 61525 125751 28625 1 1 121412 36913 12424 12298 C29 H34 N4 O6 33527 49329 1 37330 31049 44303 56869 41308 46594 43399 57966 49204 80296 1 1 48234 54035 38919 57511 47964 89476 36908 54032 37344 54956 39554 53423 38210 66028 30313 1373 45487 82550 1 1 39156 62347 1 1 42163 94077 40950 55967 56721 70422 86532 85443 48545 58945 1 1 47788 82525 7277 1 C22 H24 N6 O4 137473 123123 12771 160195 84811 180868 141437 9113 1907 2691 148594 203834 3435 44276 1 185685 136585 161410 150552 196016 2763 155339 137710 151973 139234 162666 5031 3928 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1 1 3152 1 6465 14181 6248 6910 1 1 1 1 2608 153315 1 1 6052 17182 1 1 2286 1 1 18847 3922 212836 4329 1 1 236891 1 1 3214 1 1 1 5735 276720 4854 1 9027 14426 1 1 2961 1 1 1 1 3235 1 1 895.4009@9.836259 3894 1 1 3737 1 3761 1 3695 1 3387 1 3438 1 1 1 3579 1 3633 1 3532 1 4223 1 3738 1 3869 1 4215 1 4271 1 4257 1 1 1 3959 1 1 1 3565 1 4512 1 3715 1 1 1 3372 1 1 1 3580 1 1 1 900.3559@9.836274 3023 1 1 3367 1 3468 1 3445 1 3580 1 3588 1 1 1 3669 1 4106 1 4109 1 3905 1 4250 1 3734 1 3463 1 5788 1 3922 1 1 1 5066 1 1 1 4568 1 4832 1 3516 1 1 1 3441 1 1 1 3645 1 1 1 831.4976@9.813375 1 13988 99755 1 14285 2822 14785 1585 13887 2162 14148 1 14072 93261 92582 1915 13830 2294 13183 2523 13882 1577 2945 2361 13378 2441 3139 2605 13758 2646 2978 1852 3201 99164 101535 3399 3254 49052 49197 1 13227 1930 13107 2005 14977 90143 91598 1672 13573 101767 101055 1 3026 47478 47491 370.3066@9.924644 1 6964 1 1 3283 1 1 1 1 1 5621 3916 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.4706@9.831868 1820 15114 107249 1801 14677 2706 15834 1 12360 2241 14729 1994 14407 101694 104792 1 14753 2289 13763 2283 15739 1 14618 1 14015 1996 14212 1 15664 2827 14185 1875 14359 109116 108091 1 14821 53528 52964 1 13317 1 13924 2223 14792 99886 97546 2125 15305 110914 112002 1942 14944 52203 51380 958.957@9.863677 1 1 1 1 15233 1 1 1 1 1 1 1 1 1 1 1 1 1 8581 1 1 1 1 1 28568 1 1 1 1 1 18384 1 35096 1 1 1 9246 1 1 1 1 1 32423 1 1 1 1 1 1 1 1 1 28464 8408 1 C34 H57 N11 O S2 1 12596 95467 1570 12566 1675 12937 1 11958 1491 12736 1 12699 93685 97620 1 11927 1386 13291 1 13909 1 13418 1 12248 1 13535 1 13767 1818 12570 1 12235 97722 97010 2038 12408 49423 42329 1 12785 1 12350 1 13003 93697 92947 1296 12346 100886 105658 1 12571 43149 42695 C12 H23 N O 28832 43934 28361 28294 31682 36176 34712 40320 41293 35668 35804 39332 39755 36974 23512 30232 37565 31030 34329 31434 38152 29493 36016 29199 34332 33830 43679 27070 47175 34686 25719 31591 35202 29044 29674 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5889 1 4856 1 3853 6931 3584 1 3707 1 1 1 3349 3408 3730 379.2481@9.903796 7328 1 1 1 1 1 1 1 1 3519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3437 1 1 1 11366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C24 H39 N O12 9244 1 1 9011 1 9881 1 7884 1 8600 1 9482 1 1 1 9007 1 9138 1 9197 1 8478 1 9115 1 8980 1 8832 1 9311 1 8978 1 1 1 10424 1 1 1 9226 1 9000 1 9138 1 1 1 9471 1 1 1 9988 1715 1 1 574.2774@9.919139 1 1 1 1 1 1 1 1801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1781 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1640 1 1 1 C30 H34 O7 S 7678 1 1 7933 1 8028 1 8321 1 8446 1 7371 1 1 1 8167 1 8172 1 7382 1 7793 1 8144 1 7764 1 7896 1 7897 1 8222 1 1 1 8043 1 1 1 8612 1 8349 1 7861 1 1 1 7874 1 1 1 8259 1 1 1 C31 H47 N3 O S2 1 2578 1 2769 2608 6258 3058 5348 5764 1 1 4675 5576 1 1 5805 7356 6135 9956 5833 11687 1 5699 6571 8789 3223 2342 3851 8273 6273 1450 4306 5983 1 1 1 1 1 1 5381 9425 15555 17016 7298 6387 13232 13258 3415 4102 1 1 4116 7302 1 1 563.3035@10.052771 1790 6086 1 1 1 1 1 1 1 1 4166 1 1 1 1 1 1 1 1 1 1 2531 1 1 1 2409 1 1 1 1 2761 1 1 1 1 1 3176 1 1 1 1 1841 1 1 1 1 1 1 1 1 1 1 1 1463 1 602.2851@9.936787 2431 1 1 2708 1 1 1 1 1 1 1 1 2590 1 1 1 1 1 3330 1 1 1 1 1 1462 1 1 1 1 1 1 1 1 1 1 5341 2485 1 1 1 1575 1 1 7388 3322 4217 4122 1 1 1 1 1 1784 1 1 584.2624@9.953718 1 1 1 1 1 1 1 1 1 1 1 3957 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3841 1 1 1 4165 1 1 1 1 1 1 1 3226 1 1 1 1 1 1 1 1 1 1 1 C21 H39 N O4 17307 2654 8209 13803 1690 22706 21128 9995 1 9295 1 64113 82246 11008 1 21532 22320 23726 33528 19325 36547 33291 50558 18670 25202 8783 1 8828 4427 3068 1 11586 19769 1 1 40987 48910 10519 10691 17003 30837 18178 26406 23074 24700 2543 28138 20905 20278 1 1 18403 24470 54645 3911 Mifepristone (RU 486) 1 10814 10676 2341 11098 2444 6300 1 9831 1 11712 1 10302 9410 7996 1847 9202 1751 11208 2146 10742 1 10551 1 10377 1 10515 1 10913 1 11622 1 10864 11937 11423 1 10984 10326 10215 1 9585 1814 10274 2662 9853 9678 8876 1 10132 11725 9839 1 12203 9542 8732 C14 H27 N7 O 70968 312913 433532 80606 319478 73273 311797 76387 311309 73005 319761 70724 328995 422178 441373 70509 276486 80337 327709 74113 322041 68989 324922 71512 326536 67168 326291 68653 319149 45589 315079 70630 325145 443721 450576 73241 329853 420598 454832 73441 329937 71502 315698 76995 292519 440709 441177 75953 295700 473354 449920 73646 337623 413359 415741 C14 H35 N9 O 3875 11375 11225 1 10070 5157 8797 1 10107 4576 10322 1 10798 12260 13724 3825 10305 4642 12105 5056 12200 4145 12995 4727 11406 4840 11079 3547 10859 4953 11376 4113 10950 11439 11094 4719 11940 14674 14989 4277 12294 1 11367 5130 10493 15930 15652 5113 11076 11698 12673 4476 10563 14851 14753 C30 H60 N8 O4 24989 486172 659887 29995 499798 25363 446971 28784 432550 27549 496879 26376 481637 657557 664300 25507 388390 28130 487595 26418 485651 23766 505729 23354 500726 24621 501213 24680 508280 26699 509323 26298 505526 668388 670175 26371 476108 669297 666725 24573 489391 23174 491770 26736 377662 639861 633048 23612 384634 646468 675412 25804 504322 636830 649920 C16 H33 N O3 + 9.9606695 49250 597697 585400 57268 599718 52401 12933 56277 593107 52839 604229 50531 589147 584265 561073 51230 560114 53608 614247 53377 611705 46316 579338 48826 582500 49134 591560 50210 25042 51263 547912 52376 561061 587945 570895 53030 611008 592688 559660 48513 582596 50237 564679 55415 602911 611240 612383 51034 646525 576501 594041 50007 590478 543050 552787 422.281@9.96139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2024 1 1 1 1 1 1 1 1 1 1 1 1 1 2011 1 1 1 1 1 1 1 1 1 1 1 2181 1 1 1 1 1 1 1 1 1 1 1 Leu Pro Pro 15257 81872 67359 19416 81902 15252 1606 17798 70589 17648 78404 15757 77122 70008 83016 16973 60290 16648 26808 17290 76476 16794 83459 16544 80478 16121 80979 17578 83795 17121 91571 18155 84951 78535 73658 17137 83949 73512 56934 15481 84036 17601 81000 17090 53704 62477 65255 14925 61751 81459 91193 15369 76272 74538 65504 340.1506@9.967004 1 1 5511 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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9147 13251 13304 16794 20172 8018 10398 16956 14508 4734 11626 14402 2193 1 8870 87958 9185 8808 14782 22045 21298 22853 19622 13699 23885 28669 13537 13961 1 1 10223 12984 8371 7916 589.3157@10.49522 1 1 2621 1 11453 1141 1 1 1 1 1 1 1 1 1 1 8349 1906 2451 1 1 1 1 1 1 1 1 1 1 2067 1 1 1 1 1 1 1 4931 1 1 2357 2684 1 2335 1 4060 4339 1358 1 1 1 1 1 1 10926 515.2984@10.473301 1 1 1 6496 1 4745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5991 10963 6068 1 1 1 7094 1 1 1 1 1 4335 1 2537 1 1 1 8794 9680 7012 1 10408 10028 1 1 1 1 1 1 1 3737 C26 H47 N3 O S2 + 10.473811 1971 3312 1 5489 1 4316 3565 4734 5064 1 1 4245 4536 3123 1 2730 2190 9527 7271 1 4728 5668 1 5313 6014 3994 6911 3075 2936 4444 1 1 6329 4729 1 8263 1 1 1 1 4032 8891 7300 5514 4024 12763 11787 1 1 1 1 1965 1 4330 41791 Fexofenadine 5357 3367 3170 5167 3257 8855 2953 8695 2243 4351 1 9971 5257 3024 1 6111 3012 5594 3562 7517 5410 4183 3157 7206 6671 10978 1 6730 5349 12926 3094 4234 3255 1 1 8082 4210 4807 4773 6914 4167 11293 5010 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1 1 1 1 1 3499 1 1 1 1 1 3506 1 1 1 1 1 2130 1 1 1 1 1 1824 1 6956 1 1 1564 1953 1 1 1 2365 1 1 1 2-Amino-3-methyl-1-butanol + 10.517659 76292 122914 93877 124534 176301 138750 124997 166238 182502 59945 74355 187584 264672 324039 1 155389 209667 135023 260637 165295 319379 72711 165364 226619 376514 152541 130094 128548 271629 240984 120990 135856 234379 38778 30783 152101 222521 152637 159625 142607 315753 193421 280759 261550 285028 559653 563291 140695 30845 1 1 160565 291935 175028 174807 677.2897@10.541206 1 1 1 2180 1 1 1 2645 1 1 1 2587 1 1 1 2456 1 1860 1 2032 1 1 1 2669 1 1463 1 1 1 3110 1 1 1 1 1 2195 1 1 1 1 1 1735 1 7505 1832 3042 2861 2780 1 1 1 3724 5001 1 5014 581.2891@10.592472 1 1 1 1 1 1 1 1 7953 1 1 1176 1746 10062 1 1 1 1 1 1 2951 1 1169 1 3126 1 1 1 15097 2069 1 1 1 1 1 1 9507 1 2929 1 3793 2711 3926 2152 1 5391 4982 1 1 1 1 1 1 1 5248 C25 H51 N5 O3 S3 6494 5719 5834 7562 5078 14227 7859 10751 5269 5481 3425 13346 11270 9620 1 9834 5318 9455 12096 13944 20441 5176 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15758 26007 10910 1 C30 H55 N O S5 1 1 1 1 1036 2598 1 1 1 1 1 1 2120 1946 1 1 1 3530 5860 1694 3798 1 3418 2701 3916 1288 1563 1 3081 2780 1 1496 3682 1 1 1 1 1 1 1537 4665 5212 4529 3603 1 5624 5616 3064 1 1 1 1330 2593 1 1 GPEtn(18:0/0:0) 41092 45403 11978 82041 50341 111202 64016 78007 52241 58491 59437 117972 126222 42023 1 47651 37281 77734 134797 65715 105629 53711 73592 99124 110146 127244 71134 61283 70182 100351 24922 62857 77048 1 4032 77359 66275 34117 33802 55702 79805 138481 135909 112359 68686 109016 106062 94363 75583 1 1 64196 85298 43470 1 503.2969@10.65276 1 1 1 1 6205 2136 1 11110 1 1 1 18612 1 1 1 7080 1 11398 1 1 1 8467 1 1 1 15911 1 8843 1 1 1 1 1 1 1 12983 1 1 1 9060 11264 26345 1 1315 1 1 1 17198 8091 1 1 6986 9995 1 7019 dodecanamide + 10.644595 18185 40459 19570 16724 34388 19084 31013 22214 35565 19197 33623 19464 35211 24190 21084 18912 32012 18187 31961 18069 33303 16985 32084 19082 33044 20940 36740 18151 34232 18191 30434 15912 31449 22285 22392 20600 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3964 1797 5048 1908 5693 1 5011 2316 6522 1 3409 1 1 1 3269 1266 3231 2782 6043 3281 6323 2446 4698 1619 8777 9190 6835 1 1 1 4584 1694 3924 3509 C24 H47 N5 O8 S 85337 79378 20123 135710 68445 135048 63911 125505 75335 45208 48149 169597 134102 133307 1 120815 58152 120146 121588 163018 197475 79080 100005 199452 149658 135525 82661 77928 128208 235087 50697 86487 96328 8271 6803 107951 75365 33723 37720 152858 201087 181329 129421 229819 118239 280363 259569 186533 102289 1 1 144143 124716 52108 50283 C14 H31 N7 O2 3717 96998 74277 4446 95017 1 95633 4190 95801 1 84854 8602 100847 77098 72390 4115 92198 1 81804 1 88765 1 89196 9673 78003 3013 82547 1 91276 3140 87016 4990 95398 75183 76162 7295 96113 2081 76752 4044 94098 1 90318 7015 93632 7303 9116 8048 99990 78318 82276 3417 99822 74356 75513 601.384@10.715061 4713 1 1 8934 1 6390 1 8650 1 2116 1 10006 1 1 1 6845 1 7207 1 10672 1 5541 1 8472 1 7918 1 7352 1 10306 1 4649 1 1 1 6992 1 1 1 10078 1 10293 1 11116 1 2612 2725 11472 1 1 1 6304 1 1 1 899.5171@10.715 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2-Amino-3-methyl-1-butanol + 10.7055645 1 435677 483237 273623 491939 43935 298455 585949 508961 475288 310660 570002 1 421833 1 281050 1 1 129009 1 138279 30346 488820 239984 119687 746601 412957 750556 1 273888 1 1 121958 367912 322160 1 1 683410 689969 762488 1 312627 208068 191737 98404 339347 343955 38563 36676 1 1 1 107919 924417 924806 891.4998@10.695483 1 5608 1 1 1 1 3676 1 1 1 5522 1 14935 1 1 1 1 1 1 2642 16592 1 6310 1 9876 1 1 1 13365 1 1 1 5835 1 1 1 4709 1 1 1 13265 1 13491 1 1 3597 1 1 1 1 1 1 5939 1 1 Arachidonyl lysolecithin + 10.70548 622336 925342 166736 1190115 908072 944415 2842 1093416 1051890 378545 544057 1466515 1986364 1196653 1 1054667 762926 999934 244175 1401043 2743522 632124 1236737 1605344 2170391 1102542 919374 925627 1596372 1887848 555575 708764 1235280 72458 59730 786145 856374 261338 273680 1276434 2445159 1193790 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2022 1 1 1 1 3019 1 1 1 3480 1 1934 1 1 1 1 1 2288 1 1 2276 1 1 1 1 2454 1 1 1 1 1891 1778 1 2563 1 1 1 1 1 1 501.2999@10.722638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C26 H58 N10 O5 S 3903 1 1 38277 3313 11081 1 33809 4803 1 1 36068 11870 25385 1 26882 2943 17057 12649 23783 17273 3511 2284 60154 25164 10193 1 13874 5128 53066 1 16240 7825 1 1 21250 3310 1 1 14137 7828 25017 5626 74264 15540 70005 69853 28046 4383 1 1 34778 15564 1962 1966 436.3626@10.731808 3778 1 1 2988 1 1 2736 3004 1 3620 1 1 1 1 1 2867 1 1 1 2916 1 3610 1 3712 1 3779 1 3577 1 1 1 4078 1 1 1 3377 1 2095 1945 16407 15728 3791 1 1 1 1 1 1 1 1 1 4028 1 1 1 C33 H45 N O4 3964028 5053245 928711 9770817 7387799 5814469 4485901 9431703 8052831 2060204 2501594 9236983 11486978 8572157 1 8045521 6648798 6569418 10961028 7523571 12397781 3561101 5708815 12106852 14889415 5278202 3899726 5998019 8226017 11257662 3677084 6580221 9221316 612582 510989 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5093 4753 10212 5935 8328 17675 8959 1 1 17637 11955 5864 1 653.327@10.744764 3502 1 1 1 1 4519 1 3953 1 2837 1 5110 1 1 1 5371 1 4388 1 4122 1 2627 1 3782 1 4496 1 5025 1 7129 1 4747 1 1 1 4977 1 1 1 4153 1 6511 1 2513 1 1905 2168 3669 1 1 1 1 1 4318 3705 C40 H34 N8 2955 3309 1 4428 4075 3197 2709 3597 1 1832 1704 2255 1363 1 1 3409 1 3736 3709 3704 4488 2691 3751 3811 5479 3092 2748 1 1 3873 2911 1 5738 1 1 4089 4455 1 1 1 4661 4408 4942 3999 4084 1 1 1970 3310 1 1 2700 1 1 1 2-Amino-3-methyl-1-butanol + 10.748854 625148 1 1 417750 1 686582 86337 176310 1 1 1 182174 427256 651444 1 448960 1 733524 169586 767356 126969 560207 1 488939 345974 1 1 1 545671 429974 409158 746283 414247 1 1 712670 506438 1 1 1 1 244036 1 264527 152514 565761 575624 513499 496381 1 1 714785 337608 1 1 281.2708@10.793545 3056 1 1 6297 1 2369 1 16216 1 4529 1 17979 1 1 1 17332 1 17519 1 4010 1 8373 1 17155 1 1 1 17206 1 6285 1 18764 1 1 1 1 1 1 1 17534 1 16859 1 4923 1 1 1 1 1 1 1 4138 1 1 1 1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-dihydroxy-24-oxocholecalciferol 4323 1 1 1 1 13448 10662 4316 1 4367 1 10198 13817 1 1 5306 1 5051 5928 5941 11053 3571 7301 5993 9369 5637 5655 9339 19937 19473 1 6241 11357 1 1 5919 7051 1 1 7162 18175 16028 12958 9439 10782 12765 14832 7704 7794 1 1 6936 11560 1 1 591.329@10.927792 2806 1 1 1 1 5131 1745 4822 1 1 1 7067 9590 6562 1 7444 1 6272 10637 6731 13710 1 1 1123 21459 1 1 1 1 8502 1 1 9861 1 1 1 3265 1 1 1 1 10867 1 16013 1 12551 11811 8340 1 1 1 6680 11428 1 2095 C33 H51 N3 O S2 1 1 4101 2915 1 5339 2597 4227 2939 1 1 5920 5315 4710 1 6269 3230 6157 5767 6755 6139 3353 3155 10242 8401 3877 1 4317 4585 8147 2317 5545 4549 1 1 4114 2325 3242 1511 5435 7024 9512 6287 10183 4488 9503 10420 6302 4070 1 1 5609 5531 2763 2619 C10 H29 N7 O6 11931 1 1 11231 54969 9637 55228 11116 1 11632 1 1 1 1 18700 10474 90346 12208 89742 12213 1 12738 1 11632 1 8003 1 1 1 11826 10420 9597 1 1 16765 10753 1 1 15609 1 1 12852 1 1 75419 15915 1 11285 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1 1 1 4662 1 1 1 C30 H50 N2 O13 S2 3430 1 1 3736 1 4116 1 3841 1 3805 1 3489 1 1 1 3783 1 3804 1 4135 1 4087 1 3665 1 3262 1 3679 1 3122 1 3122 1 1 1 3405 1 1 1 3193 1 3725 1 4303 1 1 1 3636 1 1 1 4095 1 1 1 C16 H39 N9 6672 1 1 7279 1 7052 1 6184 1 4605 1 5942 1 1 1 6761 1 1959 1 7175 1 6574 1 6871 1 5184 1 2011 1 6106 1 5583 1 1 1 7076 1 1 1 6704 1 6569 1 7918 1 1 1 5808 1 1 1 6946 1 1 1 337.2372@10.996227 5900 1 1 6309 1 6127 1 5153 1 8379 1 1 1 1 1 1 1 5329 1 1 1 17661 1 1 1 1 1 17655 1 1 1 6615 1 1 1 4319 1 1 1 15575 1 4202 1 6050 1 1 1 1 1 1 1 10217 1 1 1 N-(2-hydroxyethyl)palmitamide 11123 1 1 10265 1 9788 1 4772 1 10286 1 12138 1 1 1 11069 1 11267 1 12844 1 10773 1 2676 1 11296 1 11709 1 12012 1 4678 1 1 1 10590 1 1 1 11121 1 13354 1 10521 1 1 1 9826 1 1 1 4316 1 1 1 281.2703@10.807774 5004 1 1 4346 1 5252 1 1 1 4496 1 5746 1 1 1 5121 1 1 1 15558 1 18273 1 1 1 16668 1 1 1 19026 1 1 1 1 1 15617 1 1 1 1 1 4812 1 3845 1 1 1 18592 1 1 1 71304 1 1 1 369.3463@10.764631 1 1 1 1 1 1 1 1 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3195 6499 1 2857 3641 1 1 1 2463 1743 1 1 4816 11074 1 10317 7081 7079 2620 2520 1 3948 1 1 3118 1 2382 1340 C18 H33 N O3 S + 10.928928 13072 55312 17509 13682 1 10565 53896 10526 62476 10860 60384 12670 62207 16751 1 12004 63142 14356 55116 19810 60798 12853 61723 12715 58450 7352 56363 9976 55546 11168 65726 11554 58748 16643 15118 13684 58223 18094 16516 11282 57803 14595 61958 11982 54452 1 16507 13913 84422 1 28909 11942 51471 14454 13323 C31 H50 Cl N O6 1 1 1 1599 1 6929 1 1494 10667 1 1 3114 1 1 1 3255 1 2650 1 3550 1 1 1 5822 5784 3070 1 1574 1 5653 1 1 1 1 1 2816 1 1 8944 1995 1 7617 1 6458 1 1 1 3665 1 1 1 1 1 1 1 C31 H43 N7 O2 12581 10782 6872 1433 9280 54979 20434 15078 7962 17255 9921 26154 21417 16090 1 22833 12374 17369 22449 28018 37851 9943 12612 48423 48121 32660 13769 18930 24399 44845 15021 15596 12497 1 1 19202 14847 19468 16411 17619 24956 48672 36646 47105 27869 42630 38616 25587 18752 1 1 18911 22589 17759 18613 453.285@11.072819 14245 1 1 2392 1 6355 18048 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1 1 1 1 1 1 C29 H45 N O4 S 7472 11025 1 8721 10401 22450 7314 7009 1 5132 10181 10678 13441 7389 1 8673 1 7464 1 9718 1566 1 10828 18068 15565 9767 11017 8628 11808 16320 11279 7690 1 1 1 8452 1 1 4881 7976 1 16811 14464 18175 7660 7714 7618 13402 12995 5735 5528 9345 1 5381 4806 357.2843@11.111997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C21 H48 N4 S2 5215 11607 13438 4563 9867 5255 3329 5000 6008 4037 10230 1 11809 12234 12793 4018 2977 3850 9228 3081 12405 3442 14751 1 15744 1 15688 3570 13973 3481 14391 3137 15220 13291 12809 1 17112 12060 13079 1 15443 4369 15095 1 3349 12443 13089 1 3304 13851 13102 1 13397 12915 12658 429.3206@11.115256 4713 1 1 3360 1 2178 1 4742 1 3603 1 4706 1 1 1 4266 1 4315 1 4021 1 2905 1 4388 1 4040 1 3248 1 4450 1 1 1 1 1 5228 1 1 1 3052 1 4483 1 4260 1 1 1 3150 1 1 1 4192 1 1 1 371.2687@11.006851 4218 1 1 4633 1 8145 1 2569 1 3092 1 2267 1 1 1 7871 1 8005 1 2779 1 6167 1 7912 1 7602 1 8185 1 1 1 9806 1 1 1 8384 1 1 1 9137 1 1597 1 7227 1 1 1 2614 1 1 1 10220 1 1 1 569.3477@11.13831 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3033 1 4531 1 1 1 3952 1 1 1 1812 1 1 1 1 1 1 1 1 8813 8455 7898 1 1 1 1 1 1 1 1457 1 1 1 1 1 1 1 674.5252@11.127338 1 1488 1 1 1 1 1 1 1319 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5059 1 1 1 1 1 1 1 1 3927 1 454.3258@11.044146 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2736 4432 1 1 1 1 1 1 2905 2766 2758 1 1338 1 1 1 1 1 1 1 791.3522@11.137276 1681 1 1 1460 1 1936 1 1795 1 1 1 1665 1 1 1 2217 1 1852 1 1827 1 1815 1 1707 1 2034 1 1828 1 2108 1 1782 1 1 1 1914 1 1 1 1927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 796.3106@11.135826 1 1 1 1 1 1 1 1 1 1 1 1187 1 1 1 1344 1 1 1 1 1 1 1 1492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1103 1 1 1 2-Amino-3-methyl-1-butanol + 11.133931 28317 69230 1 36649 1 111573 99769 1 1 1 63200 52340 108778 1 1 15936 66940 1 150573 20270 193266 10027 1 170698 232943 1 79564 23452 1 136672 1 1 94223 1 1 23705 1 24310 1 1 129912 147378 1 1 115199 1 132268 54701 112716 1 1 27076 31120 1 1 436.3183@11.137667 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3178 1 1 1 1 1 1 1 1497 1 1 1 1 1 1 1 1 1 1 1 635.3166@11.146775 1 1 1 1 1 4331 1390 1 1 1 1 2341 1 2838 1 1 1 1 1 2799 3098 1 1 5058 4676 1 1 1377 1 3964 1 1 1 1 1 1 1 1 1 1 1 5288 2886 4639 1 5183 5398 2195 1 1 1 2125 1 1 1 C32 H45 N3 O6 19248 18272 1 35874 15141 94386 29621 23588 1 15964 14239 40895 38715 27181 1 38927 11411 32744 27231 51025 63602 16180 19279 105567 100654 31998 18758 23785 31583 80821 20760 17756 25867 1 1 23366 19828 8166 1 25531 34470 101335 59984 108640 32966 55205 50620 56018 21583 1 1 38411 39618 17626 18750 C25 H53 N5 O2 S4 1 1 1 2282 1 7527 1 1777 1 1 1 3513 3363 3175 1 2875 1 2193 2582 3886 9033 1 1 8388 12446 2248 1 1 2986 6031 1 1 2135 1 1 1973 1 1 1 2386 1 9045 7535 7761 1562 5484 4902 4010 1 1 1 3262 4312 2369 1 C24 H43 N13 S 151874 169516 3823 245372 1 624805 508172 180087 139133 1725 171544 327351 411454 278085 1 285389 7235 235800 428375 372752 747375 131034 194822 732138 982811 296560 180905 1012 292377 607972 176648 1858 238652 23215 22393 1406 162447 9778 70658 1442 341565 614632 423227 699431 9633 557405 343585 387721 10140 1 1 274164 422301 147454 147572 C14 H33 N7 O 1 9543 3962 1 7912 1 8027 1 7757 1 9276 1 8653 4007 3821 4816 4148 2774 3581 1 2925 1 3459 1 6737 2628 5388 1 6799 1 5874 1 6895 4174 4118 1 6213 3521 3911 1 6413 1 4764 3933 6195 4699 4620 1 8385 5725 1 1 8156 4228 2677 2-Amino-3-methyl-1-butanol + 11.151311 9110 1 8481 24554 1 1 17712 43100 39790 39711 1 29868 39909 1 1 53708 1 59112 1 76945 32032 25335 85386 1 1 81062 1 1 115361 1 71387 42867 1 1 1 16146 60487 32666 44073 55214 1 1 42666 131312 1 1 1 24467 1 1 1 32091 108287 47363 1 C28 H53 N O2 S 9225 17704 9243 9369 16889 8816 15210 8588 15165 8860 16711 8268 15620 9462 1 8527 5661 7020 14089 8591 15602 8392 14322 6904 14787 9130 14873 8704 15709 8206 15039 7839 16683 10218 9098 7033 14941 6135 1 8117 18256 8059 15444 8707 16328 10724 12126 8543 15721 9627 1 7922 15889 1 1 590.3094@11.169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C16 H39 N9 + 11.153758 29880 1 1 27461 1 30647 1 28965 1 25729 1 26718 1 1 1 33117 1 8311 1 28313 1 27158 1 35063 1 25780 1 9799 1 34786 1 25170 1 1 1 30247 1 1 1 30621 1 32179 1 33520 1 1 1 30290 1 1 1 30236 1 1 1 N-(2-hydroxyethyl)palmitamide + 11.126383 22990 1 1 26940 1 24132 1 13242 1 24516 1 24302 1 1 1 4455 1 25253 1 25939 1 24860 1 28587 1 23870 1 26507 1 26876 1 26892 1 1 1 24683 1 1 1 12367 1 26160 1 28835 1 1 1 27304 1 1 1 12688 1 1 1 C15 H35 N3 O4 + 11.070637 35348 1 1 35933 1 5024 1 33139 1 103426 1 30798 1 1 1 33354 1 35370 1 115710 1 33143 1 31870 1 29778 1 108445 1 47868 1 30236 1 1 1 31393 1 1 1 31117 1 29659 1 117453 1 1 1 37231 1 1 1 119657 1 1 1 Oleoyl amine + 11.148188 19807 1 1 19442 1 19082 1 65947 1 18647 1 66898 1 1 1 66364 1 64751 1 67655 1 67187 1 67701 1 64504 1 64848 1 68123 1 63744 1 1 1 65233 1 1 1 65508 1 71928 1 18125 1 1 1 73987 1 1 1 20484 1 1 1 C11 H31 N9 O S 15007 1 1 14766 1 14389 1 15626 1 18236 1 16597 1 1 1 14213 1 12862 1 14363 1 5807 1 15772 1 4892 1 4944 1 15546 1 16989 1 1 1 16973 1 1 1 4406 1 9892 1 11947 1 1 1 12965 1 1 1 13485 1 1 1 757.5617@11.33816 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 101933 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C37 H72 N4 O S 3029 1 1 3792 1 3324 1 3959 1 4684 1 4190 1 1 1 4268 1 4234 1 3357 1 4245 1 3967 1 4419 1 3966 1 3730 1 5152 1 1 1 4259 1 1 1 3166 1 3211 1 3595 1 1 1 3012 1 1 1 3787 1 1 1 368.3433@11.163387 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19284 1 1 1 279586 1 1 1 1 1 1 1 1 1 80965 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 783.5776@11.490366 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 47635 1 1 1 1 1 1 1 1 1 1 1 1 1 16713 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 941.5319@11.264971 3246 1 1 1554 1 1154 1 1884 1 1 1 1 1 1 1 17277 1 1 1 2262 1 1 1 1495 1 1 1 1 1 2214 1 1 1 1 1 1 1 1 1 1 1 1 1 3857 1 1 1 2097 1 1 1 1842 1 1 1 751.559@11.211358 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2904 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.5304@11.183932 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2026 1 1 1 2326 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 726.5619@11.205 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 475.2693@11.20833 1 1 1 2918 1 5840 1 2693 1 1487 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5133 1 1 1 1 1 4516 1 1 1 1 1 1 1 1 1 1 1 4175 1 1 1 1 1 1 1 GPEtn(16:0/0:0) 6637 6725 1 35560 8044 62916 1343 10828 7392 22469 9368 3488 15264 5469 15859 27889 7689 2051 11374 24537 9130 18024 7710 45342 13001 43139 10454 23137 9811 60205 4792 34782 14054 1 1 41958 13792 9631 9675 2440 10728 61989 17005 53583 7770 6388 12610 40320 10196 1 1 25804 8693 7541 8200 C22 H40 N2 O S2 1 1 1 14771 1 1 1 19744 1 7744 1 12252 1945 1 1 11090 1 13555 1 13232 1 9152 1 10333 1 16264 2136 7041 2984 14100 1 12651 2225 1 1 11240 1284 1 1 11985 3345 1 1 27614 1 3595 3955 18304 1 1 1 7187 1 1 1 PGF2alpha isopropyl ester 6925 7559 1 9480 3443 9433 3791 3240 2868 5249 5771 7331 7207 4156 1 4986 1868 6085 5057 1154 8147 1917 8526 7193 5607 10751 7909 6172 9212 7334 1 5570 8412 1 1 9119 8022 1 1718 6230 13792 7124 7187 4395 3275 19426 13882 10165 3729 1 1 5516 10586 1 1 390.2756@11.240971 1 1 1 1 1 9206 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5697 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 672.5185@11.234373 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1329 1 1 1 2392 1 1 1 1 1 1056 1 1 1 1 1 1 1 1396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 527.3028@11.214038 1 1 1 1705 1 7835 1 2468 1 1 1 3826 1 1 1 2361 1 1 1 3590 3622 2123 1 6695 1 5316 1 2142 1 8518 1 1455 1 1 1 3619 1 1 1 1 1 5865 3189 8256 2881 1 1 4130 1 1 1 2106 1 1 1 758.5672@11.215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 748.5384@11.282777 1 1 1 1 1 1 1 1 1 1292 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2789 1 1 1 1 1 1 1 1 1 1 1 1 1 C30 H57 N O3 S 10239 14708 9254 10089 13938 9825 12570 9449 14477 10414 15646 10009 13218 8940 8580 10083 12355 10232 13775 10428 14005 10464 14496 9846 14185 9321 13669 9950 12739 8867 14867 9938 13720 9465 9324 10335 14441 6689 6405 8628 16515 9309 14805 8519 14216 10610 10288 10712 13870 9470 8299 10518 14573 5701 4331 591.3516@11.214363 1 1 1 1769 1 1 1 1 1 1 1 1 1 1864 1 1 1 1 1 1 1 1576 1 1 1 1 1 1 2259 1464 1 1 1 1 1 2227 1 1 1 1 1 2245 1 1 1 1 1 1 1 1 1 2025 1 1 1 728.5815@11.434072 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6440 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8264 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 567.3293@11.253306 2609 1 1 5638 1 1 1691 4045 1 2300 1 4902 1 1 1 2390 1 3611 4554 5350 1 1819 1 7918 1 4093 1 3845 1 1 1 1 1 1 1 1 1 1 1 3458 1 6218 2489 1 1 1 1 4789 1 1 1 3762 1 1 1 2-Amino-3-methyl-1-butanol + 11.254089 1 612093 594523 226744 643037 214671 357592 214369 561822 654786 583807 218369 401672 1210217 1 215522 526347 246794 165233 224376 1 236948 682980 235327 141128 229818 621539 701015 661439 225320 1 263319 502898 274391 227129 230026 689899 966804 947263 695996 652480 241254 1 225751 581819 1 289565 229996 612358 1 1 228496 1 74306 1004361 971.637@11.230618 4819 2295 1 5187 53551 4769 1238 5256 53958 4860 43681 5143 55019 1 1 5491 1656 1 2508 5809 60606 5444 56488 5109 57353 5651 57273 5425 59492 6283 58382 5411 58704 1 1 6103 57416 1 1 6374 1788 6546 58293 5575 46914 1 1 5022 49799 1 1 5225 50821 1 1 C31 H51 N3 O S2 12120 4474 1 29760 5191 1 5775 24028 5352 12585 4411 1 11500 8547 1 28889 23039 20222 8518 36409 19519 8955 2312 1 25722 25326 3533 23433 5664 49103 3931 16935 1 1 1 14813 1 1 1 21193 10800 43031 20937 54254 1 10138 9041 30869 2447 1 1 21041 1 1 1608 543.3316@11.176796 1 1 1605 1 1 1 7307 2942 281049 4405 1 35029 1 445373 1 1 6088 2564 16119 2075 1 1 1 1861 1 1 1 1952 2464 1936 1 35664 1 1 1 2019 1 1 1 1 1 2359 1 1 19199 1 1 3242 1 1 1 25744 1 1 1 653.289@11.262483 15467 1 1 7708 1 8563 1 17132 1 16120 1 6837 1 1 1 16947 1 8688 1 13664 1 13100 1 9588 1 5662 1 13949 1 7178 1 12615 1 1 1 9641 1 1 1 12093 1 3936 1 14271 1 10263 1 1 1 1 1 15304 1 1 1 585.3012@11.258398 30098 1 1 41920 1 12626 1 38025 1 1 1 14017 1 1 1 34016 1 1 1 37397 1 1 1 40995 1 19414 1 34746 1 15927 1 39346 1 1 1 39582 1 1 1 1 1 17379 1 40612 1 1 1 1 1 1 1 1 1 1 1 C24 H47 N5 O2 S3 + 11.209063 1 62328 1 60203 67473 39465 91420 1 1 3563 50627 34526 4741 1 1 1 36531 1 94302 1 107757 1 76373 1 120642 1 67634 1 5337 32116 58936 1 4124 1 1 22176 87884 28723 1 1 79551 26182 120486 61167 67731 60794 55973 1 65920 1 1 1 5627 38011 40484 553.3851@11.257449 1 1 2365 77783 1 1 1 1 1 1 1 82882 1 9299 1 1 1 66965 1 64208 1 56464 6450 81306 1 78839 1 1 6180 1 1 1 6869 1 1 75835 1 7806 1 1 5301 1 1 1 1 16152 14806 1 1 1 1 67358 1 1 11119 GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1 14497 1405 4069 17084 1 25826 4774 16392 1 15203 3784 30063 5414 1 1 16436 4539 29653 1 29852 1 20310 4608 32658 4226 18449 4835 17379 1 15481 3911 25996 1 1 4407 24061 1 1 1 22670 4895 31941 1 21311 11210 11549 1 1 1 1 1 22427 1 1 C24 H43 N9 O4 12681 72446 1 18637 95604 1 2693 1 94864 9806 70367 22581 1 179367 1 1 1 1 12959 1 14992 1 84900 24363 14869 20380 58253 14659 12521 20058 63683 14746 11552 1 1 1 9448 84306 84759 1 12573 22396 11502 26805 9278 287555 1 23013 1 1 1 13671 1 125602 103964 C25 H45 N O4 26337 24400 5379 35829 19132 22422 13198 35066 18218 13942 12464 42999 43812 30330 1 36485 18825 26155 30410 29586 38372 31072 35605 37109 40080 18287 10238 18919 19364 47309 16058 34164 38908 1 1 50310 39908 7821 8164 26811 36623 31328 29419 44763 28399 55955 56496 36904 25655 1 1 42071 43552 27591 28036 C24:1-OH Sulfatide 15116 131432 1 16853 126258 14646 3311 14927 126442 15567 127002 16217 130349 1 1 15706 124450 16819 134515 16596 134736 17246 144562 16990 134969 16897 135163 17065 141940 18089 135620 16726 139366 1 1 17529 135945 1 1 17755 133968 17311 129852 15328 107607 1 1 15036 111609 1 1 16061 120204 1 1 C32 H47 N3 O6 10106 8826 1 14332 7419 25238 16314 16833 11939 10624 8677 20726 22437 28943 1 21047 9880 18011 22221 30580 1967 12510 15076 45493 46860 21970 11360 15701 17310 36574 11208 13237 14783 1784 1 12617 11281 3180 3771 1 11276 25487 20977 44191 29819 19260 19868 22893 15126 1 1 19568 25568 9497 8849 499.0562@11.262814 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 996.6686@11.260131 1319 1 1 4236 1 6989 1758 3701 1 1557 1 6057 2727 1 1 2694 1 2990 2701 1 2300 1927 1 6008 3214 5662 1 3033 1 8108 1 3953 1672 1 1 5133 1366 1 1 2269 1 7339 3512 7118 1 5862 5963 4700 1 1 1 3242 1787 1 1 C29 H48 Cl N S 6628 3349 1 11411 7374 17838 6895 7844 5244 6941 5277 16722 9689 3272 1 7503 2609 10146 9151 9844 11482 7643 7270 11410 11812 14522 6647 11289 7742 14269 1 10455 7565 1 1 14355 7180 3699 1 11128 7415 3804 11035 9555 5387 11132 9583 14347 8304 1 1 7359 10913 4063 1 992.3002@11.261087 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 994.0876@11.263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C31 H45 N O4 6442939 4674443 1353337 11756558 5455958 16522200 9084424 10839475 4750986 6800346 4571576 13632577 11733565 4662325 1 9113653 4360071 9379335 10201704 9162112 9809346 7101981 6156961 14478496 11493014 13053837 5563828 8602353 6304105 19022996 4683044 10005754 8268956 393730 329442 12043423 7583638 3397203 3528871 7639148 6943093 17529488 11476150 16110130 7280499 9923481 10057526 13071850 6800732 1 1 10102587 9091347 4867553 4817724 C29 H57 N5 O3 S 7224 1 1 8271 1 8322 1 7928 10133 7158 1 8511 1 1 1 7713 1 8691 1 8606 1 8185 1 9181 1 6670 1 8165 1 7096 1 8620 1 1 1 8345 1 1 1 8546 1 8865 1 7975 7802 1 6275 7145 6604 1 1 5287 1 1 1 C32 H54 N8 O3 19598 1 1 57790 1 96736 1 54564 1 22392 1 87924 28743 1 1 42703 1 44757 22257 42774 1 26869 1 92333 24927 90914 1 40659 1 122871 1 55327 1 1 1 70264 1 1 1 32056 1 109070 28098 95750 1 44300 45929 66581 1 1 1 39908 1 8214 8498 206.1984@11.226451 1 1 1 6564 1 1 1 6726 1 1 1 7731 1 7494 1 5008 1 5705 5862 5230 4932 1 1 8645 5792 1 1 5366 1 5662 1 6893 1 1 1 8328 1 5647 5652 1 1 9821 5741 1 1 22537 22321 1 1 1 1 4962 1 10183 9799 479.3033@11.359754 1 13518 1 1 1 1 1417 4282 12457 1 9268 1 1 1200 1 5915 1 1 1 1 1 1 6726 7150 1 1 7227 1 1 6909 1 1 1 1 1 1 1 1 1 1 1 7679 1781 10521 1 1 1 1 1 1 1 5116 1 1 8692 886.671@11.264261 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Linolenoyl lysolecithin + 11.245934 1014022 543980 154247 3706 600872 1792891 880197 3618 471598 972138 493952 1657169 976681 612060 1 1328322 390501 1374038 1005035 1312281 994965 1110847 670065 1594522 1133275 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4313 1 1 1 76243 1 1 1 3992 1 1 1 C37 H72 N4 O S + 11.288192 3621 1 1 3564 1 2846 1 3241 1 3721 1 3431 1 1 1 2956 1 2708 1 3960 1 3719 1 3200 1 3224 1 4389 1 2945 1 4072 1 1 1 3073 1 1 1 4120 1 4086 1 2682 1 1 1 4108 1 1 1 3085 1 1 1 N-(2-hydroxyethyl)palmitamide + 11.2943125 17305 1 1 21366 1 21649 1 22975 1 17954 1 19484 1 1 1 25000 1 19107 1 17114 1 18485 1 21993 1 18295 1 18607 1 22104 1 17905 1 1 1 19925 1 1 1 25723 1 22076 1 22888 1 1 1 21747 1 1 1 25369 1 1 1 Anandamide (18:3, n-6) 111146 20919 1 117497 1 25916 1 114232 1 86714 1 104532 10128 1 1 109042 1 118614 1 91958 1 111895 1 111353 1 102099 1 86559 1 81527 1 102330 1 1 1 105625 1 1 1 106328 1 115546 1 93135 1 1 1 120294 1 1 1 94035 1 1 1 120.0436@11.095097 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 131688 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 711.5376@11.33267 2469 1 1 2087 1 2035 1 4063 1 1781 1 2570 1 1 1 2657 1 2572 1 2362 1 1 1 2198 1 3845 1 4396 1 2877 1 3281 1 1 1 1 1 1 1 2593 1 5590 1 5403 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28026 11760 12496 12521 26134 15435 10935 10610 2-ISOPROPYL-3-METHOXYCINNAMIC ACID 12068 7783 6322 10678 6839 11555 6268 10109 7012 10046 6914 11528 7244 5428 5895 11475 6323 11252 5987 10970 6422 9802 1 1 6664 13022 6146 11183 6627 11940 5723 11210 7341 5608 4531 11045 7120 5168 1 10974 6841 10278 5937 1 6466 6294 5797 12384 6363 5481 1 10515 7102 5195 1 C13 H14 O2 + 11.356725 16020 13963 8949 16111 13249 15970 11108 17286 10952 15981 13624 16619 12020 9679 9617 17177 11233 15678 11650 16647 12587 17247 11673 17326 11916 16387 11467 15970 11961 17848 9521 16672 12132 9273 10601 17111 12282 8414 8522 14039 13843 16335 11681 16991 10645 10568 11468 17004 11177 10281 1 15831 13693 8975 8224 C18 H41 N3 O2 3182 37812 19731 2908 13157 2753 35523 2951 40557 2970 42494 1 40337 20775 4895 3404 34560 2823 4085 2868 42185 1 46041 3570 41947 3195 40425 3535 43141 1 41215 3310 40236 17271 4949 4016 42222 4262 4322 3426 46653 1 42192 2978 33921 37088 38061 2630 12811 4635 1 3295 38698 3920 3479 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (23R,25S)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / (23R,25S)-1alpha,25-dihydroxycholecalciferol 7668 9242 1 2839 1 1 1 4160 1 7953 10501 2412 1 1 1 2867 1 1 1 3798 3418 14982 16018 8465 3542 2269 1 3197 1 1 1 16591 22658 1 1 1 1 1 1 23197 9455 5057 1 1 1 8369 8426 24927 23593 1 1 16117 27746 1 1 C30 H61 N7 O9 70886 1 3605 68672 1 68149 1 67781 1 68018 1 70834 1 3135 2982 70010 1 76105 1 75138 1 2325 1 80905 1 79527 2342194 78263 1 2351 1 77490 1 3844 3003 2427 1 1 6133 78970 1 81590 1 62649 1 4554 10294 60751 1 3838 15411 62256 1 5784 2350 PGF2alpha isopropyl ester + 11.351006 5472 4254 1 7787 3766 8606 2216 4882 4060 1324 5127 4759 5014 3312 1 1 3339 6124 5514 4644 6465 4637 7185 2905 7939 7916 6402 5277 7659 3167 1 5267 6822 1 1 5232 7196 1 1 3324 2511 4962 5602 8084 4282 7281 7558 7494 1 1 1 5136 4502 3154 1 C14 H30 O3 5380 7551 16556 1 5962 5325 6553 5968 6884 5534 6161 4971 6145 19877 15225 1 6548 6558 5875 11587 11409 7599 7869 14773 9412 11666 6123 5476 7137 11891 5652 5697 6953 13544 14383 12521 10795 11202 12525 1 6728 1 6019 5729 6390 16064 15341 5796 6734 14303 16192 1 7359 13526 13634 (1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid 1 1 9045 1 1 1 1 1 1 1 3170 1 2169 12681 8964 1 1 3210 2366 5835 5619 4459 3433 1 5417 5529 3454 3596 4039 6280 3668 2224 3823 9088 10372 6248 5426 8387 7588 1 4461 1 4280 1 1 2110 9285 4138 1 10148 12360 1 1 8748 8445 263.2447@11.391349 2610 1 1 1 1 1 1 1 1 2710 1 2870 1 1 1 1 1 1 1 4654 1 4020 1 7701 1 5768 1 2739 1 5815 1 1 1 1 1 1 1 9467 8320 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9016 10400 803.4951@11.455827 4121 1 1 3647 1 1 1 4451 1 1 1 1 1 1 1 1 1860 1 1 5135 1 1 1 1 1 1 1 4797 1 4497 1 3996 1 1 1 1 1 1 20628 1 1 4603 2045 21753 1 1 1 1 1 1 1 5095 1 1998 1 440.2896@11.28164 9560 1 1 1 1 1 1 1 1 1 1 5914 1 1 1 1 1 1 1 2784 1 1 1 1 1 1 1 1 1 3933 1 1 1 1 1 1 1171 1 1 1 1 1 1 6734 1 1 1 1680 1 1 1 1 1 1 1 321.2634@11.370975 8972 1 1 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2026 2139 C18 H37 N7 O3 17851 481081 1 18888 514359 19934 476630 19345 482772 18590 513486 18500 510937 1 1 12610 477821 17779 480715 20011 515885 17884 521913 18964 516243 17996 492529 1 491820 16594 530781 16920 497752 1 1 18554 491309 1 1 19384 517511 18174 480725 18450 513647 1 1 19839 551200 1 1 17777 519297 1 1 C21 H33 N5 8155 160278 1 11162 167211 10077 2725 8117 151531 10008 158523 9217 159034 1 1 7689 155006 9853 153756 7610 1 8893 162432 11461 11776 9448 150533 7578 148682 8579 169253 8019 156886 1 1 9896 141994 1 1 8213 164210 8319 147654 8873 163882 1 1 9581 164717 3869 1 11273 1 1 1 His Val Arg 1 7025 1 3154 5355 4084 4907 3023 7402 3539 9333 2596 5321 1 1 2662 1 1 2868 1 12633 3985 6010 2258 5053 3978 6216 3387 8585 2137 2674 3487 7543 1 1 3373 6408 3727 1 3079 6904 3098 5258 1 1 3527 5666 3465 4095 1 1 1 5866 1 1 561.3257@11.501826 1 1 1 2741 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5035 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 357.3303@11.487012 5171 1 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H53 N O11 S2 7363 6387 1 13885 7004 10464 2951 9908 3179 4235 3048 11200 7726 1 1 9562 1 6995 4126 7725 7628 4047 3913 11592 7566 6620 1 7071 4040 8989 1 6427 4797 1 1 6769 3583 1 1 6491 5370 10119 5644 20652 6388 1 6195 14454 3914 1 1 10565 9831 1 1 544.8886@11.533 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 883.5564@11.530402 1 1 1 1749 1 1460 1 1 1 1 1 1 1 1 1 1856 1 1 1 1531 1 1 1 1738 1 1 1 1612 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2679 1 1 1 1 1 1 1 1 1 1 1 905.5196@11.52223 1 5111 1 1458 5741 1 3466 1087 3348 1 2623 1381 8726 2590 1 1 2994 1 6205 1167 11757 1 2739 1972 9161 1 1848 1 5241 1478 3001 1 6760 1 1 1 4705 1 1 1 8460 2444 8954 2408 4964 4540 4709 1 4394 1 1 1 6926 1 1 525.7006@11.534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C23 H53 N11 O4 S 18138 1 1 37095 1 33644 1 30686 1 9425 1 37341 1 6091 1 30734 1 1581 1 30507 1 10659 1 49049 1 21522 1 22397 1 51707 1 19779 1 1 1 23380 1 1 1 27536 1 1375 1 58651 1 9643 10926 34244 1 1 1 22635 1 4963 2007 522.8934@11.534 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 601.2957@11.533398 1 1 1 2342 1 1 1 2041 1 1 1 2509 1 1 1 1 1 1 1 2100 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3074 1 1 1 1922 1 1 1 1 1 1 1 847.6042@11.600401 1 1 1 1 1 3097 1 1 1 1444 1 5252 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3268 2363 9084 1 1 1 1 1 6390 1 1 1 6587 1 4811 1 1 1 1 1 1 1 1 1 2737 1 1 1 C33 H61 N7 O8 S 6068 55787 317791 5384 58648 5749 13951 5539 54876 5370 57789 5244 15624 247386 254877 5407 53238 5432 53768 5851 52920 5828 52936 5409 53075 6009 13598 5975 50614 5333 52815 5686 54692 283039 279806 5882 13956 214739 214958 5683 51308 5090 49359 5188 56674 239845 230231 5654 60213 278877 332732 5947 56047 163669 163456 841.622@11.430379 1 1 1 3108 1 1 1 1 1 1 1 1 1 1 1 6182 1 1 1 1 1 1 1 9202 1 1 1 1 1 3483 1 1 1 1 1 1 1 1 1 1 1 1 1 2404 1 1 1 1 1 1 1 1 1 1 1 747.2915@11.5323105 1 1 1 3171 1 2342 1 2122 1 1 1 1 1 1 1 1 1 1 1 1909 1 1 1 1 1 1 1 1 1 2478 1 1581 1 1 1 1 1 1 1 1848 1 2750 1 3963 1 1 1 1 1 1 1 1 1 1 1 253.2354@11.54 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 544.7249@11.541 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 437.2914@11.546136 4183 1 1 4626 1 3412 1 2592 1 1 1 1 1 1 1 1 1 1 1 2841 1 1 1 1 1 2477 1 2776 1 5955 1 1 1 1 1 1 1 1 1 2710 1 6029 1 1 1 1 1 5724 1 1 1 1 1 1 1 C38 H57 N O9 1 39034 222866 2056 40272 2262 37382 1 36789 1 38634 2314 37197 183810 182667 1861 36278 2212 35381 1 36596 1 36862 2374 35900 2514 37329 1 35039 2834 36992 2045 37328 200084 201274 1 36542 153756 155104 1914 36186 1 34987 2399 40607 174637 170314 2108 40765 200606 209223 2461 42828 114919 111686 C34 H65 N O11 1 2469112 9965 1 2488620 1 2367611 1 2433719 1 2395777 1 2418067 10522 9330 1121 2280781 1 2041541 2092 2311238 77149 2368368 1701 2033091 2098 5634 1 2306903 81911 2200541 1038 2039759 15560 13216 78919 2039214 1 2162 1532 2250420 1 2266592 1 2537403 9496 4546 1 2661904 9615 1 1 2528115 1 5116 470.3671@11.571983 1 1 1 1 1 1 1 2325 1 1 1 1 1 1 1 2283 1 2127 1 1 1 1 1 1 1 2226 1 1 1 2516 1 1 1 1 1 1 1 1 1 1 1 2375 1 1 1 1 1 1 1 1 1 1 1 1 1 449.334@11.506611 1 1 1 1 1 1 1 13391 1 3078 1 11180 1 1 1 1 1 1 1 11824 1 4610 1 11844 1 10240 1 1 1 1 1 1 1 1 1 6684 1 1 1 4330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C35 H51 N3 O S2 2088 3950 1 3878 3336 4975 3413 2917 2517 1 1643 4925 7348 6122 1 4573 1 3075 2062 5209 14696 2371 4168 11885 16591 2007 2179 2125 3902 6260 3537 2472 6995 1 1 2294 3974 1825 1 2129 6414 5698 7299 9251 5508 8737 6911 5768 3361 1 1 3811 8036 1 2525 370.352@11.788466 1 1 1 24290 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C33 H45 N7 O2 15217 1 5689 23409 1 29293 1 21443 1 7991 1 29884 36053 29461 1 26025 1 17223 25103 30028 59743 14893 21656 70077 80569 14798 1 15116 20742 36040 15192 18036 1 1 1 14961 15451 8421 6714 15824 27934 32360 33444 52966 30981 32298 32832 33949 1 1 1 24396 38135 9537 9616 C12 H29 N7 4680 5384 1 5152 1 5194 2257 4096 5371 1 4678 4819 5398 1 1 5345 3897 5316 4858 1 5269 4700 4825 4386 1 5539 1 4515 5703 4447 4538 1 1 3123 1 5200 4591 1 1 5012 5296 5302 5019 5924 3477 1 1 4485 4318 1 1 4960 4078 1 2571 C13 H28 N6 5762 4335 1 5970 1555 5218 1 7153 1 5542 1 5324 1 1 8203 5505 1 4733 1 5447 3372 5927 1 4698 1 5716 2359 5815 1 4294 1 1 2562 1 1 5343 1 1 1 5744 3043 6243 3031 6818 1 1 1 6380 1 1 1 4817 3575 1 1 908.5383@11.520894 1 1 1 1272 1 1 1 1 1 1 1 2877 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1058 1 1 1 3758 1 1 1 1 1 1 1 1 1 1 1 C23 H41 N 9675 13280 5888 10113 3409 7367 12381 8890 14239 11114 14066 9465 14828 6960 13593 8250 13103 9015 13645 9121 14700 8445 15186 10496 13935 10463 13978 9130 14201 9666 13158 10347 14324 5594 16284 11442 14196 13418 13176 10363 15038 9061 14212 9087 12624 13373 13736 8695 36245 14676 16136 7941 14238 12102 13101 413.2615@11.526082 23313 1 1 6345 1 1 1989 1 1 16475 1 1 1 1 1 1 1925 20013 1 1 2538 1 1 1 12825 1 1 1 1 23622 1 1 1 1 1 1 1 1 1 5719 1 1 1 1 1 1 1 1 1 1 1 1 1 5354 1 403.376@11.49852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1350 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Gemeprost + 11.5606575 5101 5148 1 1831 4819 4561 1 5658 1 5414 4548 6513 5403 2201 1 3043 2867 3885 3931 3807 2041 1959 4319 4232 1 27720 5348 3906 1 4454 3632 7283 1 1 2458 5637 6232 1 1 2901 14207 1 3357 14141 1 9758 4829 4335 4742 1 1 1 5259 1 1635 569.3307@11.581902 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1622 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C31 H53 N3 O S2 25880 1 1 2900 1 8759 1 3205 1 3738 1 5983 1 1 1 4402 1 2583 1 5827 1 1 22555 6407 1 6233 1 3555 1 8068 1 3874 1 1 1 4372 1 9474 1 3739 1 7881 1 10039 1 1 5549 4953 1 1 1 3605 4162 14183 16080 C26 H45 N3 O5 35348 27547 1 68746 36296 52111 28806 27414 17672 28988 26104 81177 68962 24308 1 40051 16293 47129 54238 50413 80397 41739 45714 84658 85505 57563 28645 45130 45923 104253 7507 70026 70601 1 1 49997 40307 7193 8223 45310 61011 83356 58854 86032 33365 33952 37065 121014 60966 1 1 62477 57870 24674 24001 C27 H48 Cl N O5 4975 5244 1 10994 6661 7969 2649 5507 2097 3639 5363 10703 9531 3523 1 4437 1 6610 11389 7138 17501 5551 11148 12145 16849 6437 6005 5196 11280 14167 1 7349 17200 1 1 7124 11028 1 1 6709 1 13417 11480 12574 4478 10381 7691 15112 7132 1 1 8941 8273 5477 4375 517.3154@11.187544 1684 1 1 1359004 1 1 1 1497945 1 1 1 1 1 1 1 1 1 3122 1 1 1 2728 1 105212 1 1 1 1 1 1 1 5382 1 1 1 1 1 1 1 1133580 1 1 1 138581 1 1 1 4757 1 1 1 3282 1 1 1 724.5477@11.198173 1 1 1 15710 1 7134 1 1 1 1 1 12619 1 1 1 1 1 1 1 12602 1 9126 1 12705 1 14590 1 1 1 1 1 10579 1 1 1 28029 1 1 1 7855 1 14352 1 13761 1 1 1 22545 1 1 1 16347 1 1 1 C35 H53 N5 S 1 1 9980 1 1 1 1 3052 1 1 1 2844 1 9792 8944 1 1 1 1 3456 1 2431 1 1 1 2662 1 1 1 2037 17949 3313 1 9483 9438 1 1 6311 6321 1 1 2066 1 1 1 8649 9586 2055 1 10066 12385 1 1 4600 4816 C26 H47 N3 O5 40219 29276 10535 93023 45603 72143 14357 51178 22400 37695 20036 84976 58388 29932 1 47441 15578 47323 59408 45277 44200 56085 54718 79234 75992 69310 29250 54826 36171 85030 35712 65492 41421 4690 3540 51786 24567 22915 21874 46639 45304 111203 55758 88572 26969 71954 74428 109015 59823 1 1 54733 43079 46818 46329 C32 H45 N3 S 6142 1 1 12630 1 9345 1 6753 1 2688 1 12162 2546 5277 1 7876 1 7351 1 7295 11731 8302 9465 10873 10987 7682 1 5683 8934 14432 5297 7257 10431 1 1 3071 8060 1 1 7319 7600 2719 11278 12455 1 15049 11461 14142 1 1 1 8169 1 1 1 369.3468@11.491707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4749 1 1 1 1 1 9082 1 1 1 1 1 1 1 11259 1 1 1 121090 1 1 1 1 1 1 1 1 1 1 1 449.3382@11.578249 1 1 1 1 1 1 1 1 1 5839 1 1 1 3664 1 8246 1 1 1 1 1 3200 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4463 13210 1 1 1 1 1 1 1 619.4273@11.601029 1 1 10378 2201 1 1 1 1 1 3753 1 3701 1 9724 1992 1818 1 1 1 1201 1 1 1 1 1 3028 1 1 1 1 1 1768 1 3540 10435 1 1 6882 6737 1984 1 1 1 1780 1 1 10078 2876 1 10046 1 1 1 5115 1 413.2617@11.662531 1 1 1 21740 1 1 1 1 1 1 1 1 1 1 1 1 2319 1 1 1 1 1 1 1 3459 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2969 1 1 1 1 1 1 1 1 1 1 1 1 7590 1 1 559.3051@11.632412 1 1 1 3370 1 1 1 1 1 1 1 3555 1 2988 1 1 1 1 2729 1 10424 1 1 1 14371 1 1 1 1 3379 1 1 13648 3615 1 1 1 1 1 1 1 3741 1 3210 1 1 1 1 1 1 1 1 1 1 1 611.319@11.546909 1 1 4105 1123 1 1 1 1 1 1 1 1 1 1 1 1 5336 1 1 1 1 10940 1 1 1 1 5833 1 1 1676 1 1 1 1 1 1 8715 8499 7648 1 1 1 1 1 1 1 1 1 7776 1 1 1610 1 12776 1 C30 H45 N3 O6 28468 1 87558 44033 1 22478 351674 47385 1 191073 1 49302 40152 32360 1 15519 228467 29018 41652 23202 1 15912 30196 36887 83128 19928 26652 29383 53563 37302 1 2640 76587 37080 34659 19731 1 163541 161662 19224 713264 34738 1 41567 1 1 29921 26834 325598 1 1 20721 1 24523 20034 674.535@11.624509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1645 1 C22 H43 N13 S 2431 138005 61628 298390 1 143331 103450 348080 143348 75157 1 352651 1 201926 1 105422 76218 200984 304196 153039 1 112753 193122 222364 1 187626 2664 214380 223696 280466 1 4315 323604 21094 190872 129069 1 129631 156470 133251 1 209763 1 265567 1 207799 181522 183701 1 1 1 135251 1 1 127199 598.2839@11.557868 1 1 1 1 1 1 1 1 1 1 1 1345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 487.3502@11.695538 1656 1 1 1 1 1681 1 1528 1 1 1 1 1 5581 1 1 27476 1 1 1 1 1 1 1422 1 1 8017 1 1 1 1 1 1 5421 2932 1 1 1 1780 42726 1 1 1 1425 1 4682 5460 1090 1 3280 7640 1 1 2804 1 PGF2alpha isopropyl ester + 11.698368 5581 7905 7970 6870 4349 3269 3919 7190 4254 6479 5179 7005 7244 5400 7703 2913 2394 5397 5644 4998 9079 2748 7577 5577 7905 8418 6481 5257 9100 5994 7558 4829 1816 6771 5907 8332 9232 2232 2185 5716 12310 5857 7472 8975 3694 16562 17174 7362 2144 8754 7177 6111 8812 4061 2238 531.3389@11.71598 1 1 1 7728 1 5795 1 1 1 1 1 1 1 1 1 3933 1 1 1 1 1 4465 1 12760 1 1 1 1 1 1 1 1 1 1 1 11054 1 1 1 1 1 11158 1 1 1 1 1 1 1 1 1 1 1 4825 4402 C28 H43 N7 O2 12566 1 5093 24745 16306 26584 1 23750 7186 9782 1 1 1 1 1 23910 9804 24956 19378 27559 30073 17522 1 53435 1 24746 1 24430 10866 52492 1 22137 1 1 1 21414 1 9066 9016 26353 1 3074 29607 38269 1 1543 3684 39603 1 1 1 30119 1 9558 15344 Gemeprost + 11.649413 7987 7542 1 3828 5129 11315 5283 9327 4860 7880 6175 10371 8757 5254 1 5773 1 6059 8765 7882 11237 6150 1 8274 8032 7634 7154 7434 10320 10135 2646 4348 4255 1 1 12736 10608 1 2562 8975 12905 9813 1 6255 4614 18424 17990 9365 4351 1 1 8160 9672 2852 4887 430.3374@11.566649 1458 1 1 3911 1 2790 1 4174 1 1 1 1 1 1 1 1 1 2564 1 1269 1 1 1 2966 1 1614 1 3409 1 1998 1 4382 1 1 1 3560 1 1 1 3237 1 4422 1 2571 1 1 1593 1016 1 1 1 1 1 1 1 403.3766@11.710362 1 1 1 1 1 1 1 1 4789 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1940 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 336.2048@11.728078 17996 1 1 18007 1 6853 1 8349 1 1 1 8212 1 1 1 10067 1 6528 1 17707 1 9724 1 18607 1 1 1 8317 1 20139 1 18210 1 1 1 8857 1 1 1 8176 1 19203 1 16181 1 1 1 18127 1 1 1 1 1 1 1 C39 H66 N2 S4 1604 21174 1 3324 6503 3403 3318 3238 5767 2339 3276 1 5047 3939 1 3759 4471 1645 8606 1922 18413 2017 1 1 7215 2828 10868 2068 12409 3390 9330 2037 21417 1 4612 3102 19092 1 1 1 6546 2936 5549 3962 5404 35511 6270 4138 4233 3379 1 2215 9445 1 1 Phthalic acid Mono-2-ethylhexyl Ester 40521 43551 31051 38730 33979 44520 31478 1 33451 40867 36371 46506 37080 33418 1 41914 19089 43321 26550 41100 38306 41471 33446 40842 29736 39402 35352 1 46614 43066 17304 42682 32711 30867 27891 40698 42170 23342 23793 40515 39427 43378 30500 44656 17330 66831 66284 44282 20571 1 1 40513 37973 23073 21987 C8 H4 O3 + 11.663287 9112 58405 23481 2555 39314 33039 43842 33635 51877 33442 99318 34512 48004 25250 73092 30360 32670 30475 43961 29774 61839 29926 57443 29613 41875 31635 62566 31278 68628 1 29468 30644 58827 21195 22446 30930 66696 16786 15132 7406 80943 29769 58042 36263 47702 55552 58296 34151 41775 73290 92898 33282 46188 18243 15650 Phthalic acid Mono-2-ethylhexyl Ester + 11.67471 45113 108984 42857 49172 73966 52420 88948 48781 98362 48843 81509 52452 1 56608 46509 44371 64319 45161 83531 42947 107956 49760 102955 52093 87201 49749 112091 50170 133223 50815 64105 46548 103130 45349 45936 51280 129117 35131 36783 51748 130328 47447 103820 48278 66234 112714 114761 48824 65196 47979 1 47207 86584 34405 35954 LEVULINIC ACID, 3-BENZYLIDENYL- 1 17227 7021 1 12069 11389 3279 1 16149 4952 13906 12728 55963 7734 1 12475 10283 1 11898 10162 14352 1 15722 11332 14108 11426 18430 10214 21177 53571 9322 11046 15977 1 5091 59050 82087 5573 29191 11105 20961 52461 17126 10552 8962 17466 4280 10956 10654 1 1 1 13703 4901 1 Zopiclone 3624 10606 6021 3465 13696 2746 19170 1 18052 1 26420 2950 23236 7152 4741 2548 7062 1 14505 2987 22253 3063 25865 2995 30386 3455 30342 3380 38483 3220 5751 1 21684 4494 4288 2745 30721 8009 8642 3509 26372 1 31802 3865 11480 48583 50592 3579 12272 3779 1 3282 17324 6026 6011 660.3468@11.691779 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 628.5311@11.687275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.1419@11.689976 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 405.2691@11.878292 1 1 1 1 1 1 1 1 1 1 1 1 1 3693 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2120 2840 258.1471@11.69506 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 377.2418@11.6921 1 1 9801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 742.4102@11.696123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 398.1719@11.695409 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 360.2143@11.692266 1 1 9314 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 382.1965@11.692534 1 1 26641 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 418.2683@11.704959 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.2598@11.695791 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 184.0737@11.694619 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 674.534@11.605364 1 1 1 1 1 1000 1 1 1499 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1519 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1332 1 653.4123@11.716566 1 1 1 1 1 1 1 1 2921 1 1176 1 1 1 1 1 1 1 1 1 3816 1 1 1 1 2771 1 1 2920 1 3385 1845 1 1 1 1 3013 1 1 3598 2976 1 1 2977 1 3259 1 1 1 1 1 1 1 1702 3102 702.5664@11.631417 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1577 1 1 9374 1 1 1 1 1 14150 1 1 1 1 1 1 1 12406 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Estradiol 4305 4475 5511 3862 3987 1 4425 1 3626 1 3952 4533 1 4966 6103 3652 2102 3763 3298 2960 5036 3488 4605 3510 5262 4100 5016 1 4635 4049 4726 3835 4815 5452 6009 4177 4935 3375 4086 1 4623 3703 1 5060 3716 6344 6169 4077 1 6192 1 4289 4634 3406 1 703.0021@11.833357 2356 1 10372 1 1 1 1 1 1 1 1 1 1 1 1 1425 5088 1 1546 1 1 1 1 1814 1 1454 1 1 1 1 1134 3313 1 17253 1 1 1 1 67984 1 1 1 1 1 1 1 1 1 1 91245 1 1 23996 1182 1 368.3438@11.557455 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.2582@11.66155 1 1 1 84690 1 1 8155 122787 1 1 35057 61020 1 1 68967 1 8774 74127 1 1 1 1 1 30691 1 1 1 1 1 1 1 1 264505 14022 1 1 1 1 1 1 414492 83350 1 107167 1 113770 178822 1 1 72033 128578 1 92259 1 28327 C28 H43 N7 O2 + 11.727325 24257 19666 10077 69036 18067 46546 26214 43322 19289 22826 20076 112715 92184 1 1 20251 12768 55754 73544 23862 47890 31143 40702 45708 96980 52191 26069 22412 29829 55870 1 43153 48926 3503 1 52064 45966 18022 22028 39673 31619 49515 84227 66736 28208 10677 29045 60438 45090 1 1 32168 35798 30783 1 448.3293@11.588668 1 1 1 1 1 1 1 36089 1 1 1 20508 1 6097 13455 11023 1 31733 1 28207 1 1 41066 20657 1 3206 13253 53132 1 3866 1 38204 1 1 5537 1 1 1 1 8990 1 49163 52227 49246 45629 41688 36691 1 1 8130 1 1 1 1 1 531.3345@11.730467 1 1 1 1 1 1 1 1 1 1 1 13199 1 1 1 1 1 6230 1 1 1 1 1 1 1 1 1 1 1 6796 1 1 1 1 1 1 1 1 1 1 1 14896 1 7348 1 1 1 1 1 1 1 1 1 1 1 748.5297@11.842344 2794 1 1 1 1 1 1 1 1 1 1157 2408 1 1 1 1 1 1 1434 1 1 1672 1 1 1 1 1 1128 1 1 1 1 1 1 1 1 1 1 1 1498 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 887.5602@11.91069 2476 1 1 1 1 1 1 1865 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2159 1 1 1 1 1011 1 1 1 1 1 1 1 1 1 1905 C39 H66 N2 S4 + 11.708782 3708 12156 5738 2507 3326 1 4796 4850 3528 3456 6587 4323 8891 1 5957 2251 2264 3529 2353 3428 6023 3568 14358 3398 1289 4199 2231 3266 2614 1818 1414 3642 5079 5840 1 2432 4058 1 3548 3088 28999 2176 21219 3123 11682 10334 29887 2790 2585 1 1 3007 4952 4045 2698 C14 H24 N2 S3 4852 23346 11438 1 16971 5399 14740 5355 14669 5590 20060 5234 8136 3204 11888 5444 9556 5815 6097 1 6936 1 6278 4955 6072 6681 7857 6616 9770 5772 8419 5340 6620 12187 8532 5954 7107 7104 6587 5446 8322 4500 12999 5081 8442 6802 13537 5255 4048 7840 11924 5339 21228 5971 5609 908.5391@11.899259 1 1 1 1 1 1 1 1 1 1 1 2021 1 1 1 1 3311 1 1 1 1 1774 1 1 1 1 1 2275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3717 1 420.1814@11.74063 1 2950 3162 1 1 3107 1 1 1 1 2442 3300 2536 3555 1 2860 1 1 1 1 1 3123 1 3518 1 1 1 2784 1 1 1 1 1 4399 3890 4454 1 1 1 1 1 1 1 3208 1 5305 5444 3831 1 3445 1 1 3019 2358 1 Phthalic acid Mono-2-ethylhexyl Ester + 11.739214 103516 83476 76163 103554 66149 117145 60195 147338 61321 114266 78519 105999 72747 87876 87656 107018 43340 111212 56432 106425 81962 108546 2687 110449 56568 118226 78364 140371 84515 105323 45875 105851 70240 89267 75333 107267 82343 68414 64921 120976 81750 102239 59197 107693 36209 132903 129437 112201 40298 89316 110845 89156 87001 63707 67256 C8 H4 O3 + 11.746618 92621 116363 69387 91120 82074 103475 91327 98075 91783 85701 42150 93251 94981 72695 1 94626 63838 91067 98795 90600 128874 87756 149825 87009 12282 97815 136803 84409 12492 92391 145687 87855 164813 71054 68952 98187 17971 58915 60058 88135 205074 85100 168196 102934 85619 6975 135520 102451 83329 1 1 94954 99002 53918 56496 C34 H42 O8 8117 10875 7361 7011 6219 10015 6791 9653 6296 2316 8683 8663 8653 1 6426 8314 2932 7702 5230 8265 8455 8056 4090 8106 3549 1 6175 8509 7596 8729 1 2282 4661 7212 7333 8449 7793 4449 3816 8322 8372 8294 4068 10273 3780 19196 17270 10053 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1491 1 1 1 1352 1 1 1 1 1 1 1 1 1 1 1 C28 H48 Cl N5 O 6476 1 1 6751 2611 5228 1 1674 2666 1 1 6034 9747 1207 1 2620 2211 1 1 5520 9662 1 7001 8075 9349 1 1 4282 5962 12548 1 10123 9290 1 1 3600 6646 1 1 6691 7008 7572 4860 2004 1 1 4566 10711 7127 1 1 2156 6579 1 1419 627.5283@11.951866 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1391 1 2731 1 1 1 1296 1 1 1 1 1 1 1 1037 1 1 1 1 1 1 1 1 1 1 1 1 1 5845 1 597.3766@11.825918 1 1 1 1 1 1 1194 1 1 1 1 1 1 1 1 1 1 1174 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1765 1 1 1 1 1 1 1 1 1 C21 H49 N9 O3 S 33630 32293 10248 44736 28826 34607 1 27513 14445 19983 17226 50716 48965 31427 1 30338 14691 30048 34427 34399 51770 35573 41342 46777 58688 33467 16887 35903 33574 74438 23746 47845 48489 4040 2523 31422 26264 12038 11953 41843 52203 54243 41915 53012 30490 62541 58773 62655 45930 1 1 39655 43517 28212 28837 C30 H47 N3 O5 5161 1 1 5818 1 5012 1 3138 1 1 1 6246 1 3603 1 3689 1 1 1 4184 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.2895@11.752633 1 4015 1 1 1 1592 1785 4133 1 1 4750 2520 6038 1 1 1 1 2448 1824 1 3519 1 2705 1367 1953 1 1766 3946 1 1959 1 1 3742 1 1 1 1931 1 1 1 4521 1 2194 4245 2286 5626 4354 1831 1 1 1 1 1970 1 1 370.3099@12.049612 1 1 1 17251 1 1 1 1 1 21887 1 8514 1 1 1 1 11584 1 18736 17926 1 19373 43180 1 1 1 93555 12708 1 1 91278 1 1 1 1 1 80992 1 1 1 90968 1 85945 1 1 1 1 1 1 1 190982 1 1 112091 98535 430.3397@11.91774 1 1 1 3467 1 4242 1 3648 1 1 1 1 1 1 1 1 1 1952 1 1 1 1 1 3014 1 4354 1 1 1 3862 1 1 1 1 1 1 1 1 1 3299 1 1 1 4696 1 1 1 3760 1 1 1 1 1 1 1 Gemeprost + 11.914792 17424 20238 1 20979 1 27201 11758 1420 1 20299 1 24194 21815 13210 1 1 1 1 13934 1 28333 12797 18022 21807 20782 20891 16994 18054 23069 22064 1 19890 23397 1 1 25103 22124 1 6557 18841 29301 20673 16528 30149 9866 43481 40213 22877 8911 1 1 17860 25715 9618 1 C23 H47 N O4 15541 34052 53181 18071 31098 15559 28539 16199 30607 13579 28411 17236 33320 53619 52716 13997 28238 14529 326004 19388 36908 12240 29941 14888 31070 16581 31867 15970 34660 15226 35065 18891 34843 52421 52134 16030 35524 52820 53674 17287 35013 15649 32689 15320 30128 58543 56010 18124 30818 52181 51509 15778 31401 51004 49466 412.2589@12.061721 1 1 1 1 1 1 1 4525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 338450 1 143829 1 1 3293 1 1 352489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1209 1 C22 H31 N5 O2 8448 1 1 10426 1 8142 1 8958 1 9523 1 10228 1 1 1 8736 1 7917 1 8673 1 8385 1 8497 1 8727 1 8321 1 8287 1 8485 1 1 1 9077 1 1 1 8276 1 8707 1 9367 1 1 1 9040 1 1 1 8492 1 1 1 C14 H24 O3 10028 5604 5813 9432 5490 8825 3416 7779 3523 7670 6405 7327 4409 1 5145 8368 1 9474 1 8445 4196 7078 4033 7377 1 7853 1 7607 4844 6944 5339 7912 1 3926 1 1 4188 1 1 7628 3436 9845 1 9912 3709 1 2522 9415 1 1 1 11571 4630 4167 1 941.6246@11.926822 1 1 1 1 1 1 1 5168 1 6850 1 7648 1 1 1 1 6702 7099 1 7016 1537 1 1 1 1 8665 21396 5900 1 7892 1 6951 1 2784 1 5612 1 1 1 8673 1 8471 1 1 1 2361 1 3383 3026 1861 33370 1 20906 2163 1 392.2906@12.04306 1 69021 1 1 65677 1 11204 1 1 1 31746 1 1 1 172744 1 1 1 14256 1 1 1 75466 1 66689 40290 3586 1 1 1 71760 1 40983 1 138203 1 58719 129531 158350 1 62200 7675 1 1 1 2518 76221 1 1 93971 266747 1 24248 143654 138470 5-methyl-tetradecanedioic acid 31879 19796 16895 27488 18621 29146 18874 31303 17684 28940 17922 32963 18217 16013 17140 28143 17993 25796 17447 27828 19750 27780 19192 28450 19816 27955 18854 30014 19735 27541 21040 25849 19261 16787 14753 28851 19374 14333 9086 26603 18679 26203 18330 34488 16593 16757 16291 33238 17818 18811 16997 33923 19922 14520 14127 C15 H31 N O4 25205 23837 19073 22800 21047 21385 19606 24088 19012 23851 21431 23160 21359 18822 19869 22061 17578 22013 20238 22219 20687 22717 22441 24015 21818 23731 20003 23411 20439 22798 21613 23226 21119 19296 17873 23887 21902 16800 18439 24222 20143 22072 20330 26663 19834 17801 19418 25285 20937 21936 21277 23678 22872 16948 17298 C11 H18 O3 9607 1 4865 8476 4720 8984 1 8336 1 9868 1 7478 1 3605 4014 8396 1 8196 3338 7504 1 7780 4441 8590 1 8281 1 8469 4340 7905 1 7759 1 4258 1 8498 1 1 1 7179 3869 7089 4316 10250 1 1 1 9167 1 4288 1 10546 5065 1 3698 905.6613@12.055535 4719 1 1887 3083 1 1 1213 1 1 3380 1 3921 1 1 1668 3684 1853 4457 1 1 4106 1 1 4881 1 3863 2077 4056 1 4974 1 3605 1 1 2430 3811 1 2983 1 1 2560 4563 1 1 1172 2428 1 3382 1 3149 1 2810 1 3836 1034 Embelin + 11.928356 21524 12884 16274 23370 13611 22110 10541 22105 8586 24000 11320 24528 10693 18670 15823 22278 7540 22488 9062 22415 10385 22854 11392 24172 10256 25813 12330 23917 11838 22309 12283 24023 11677 16763 17577 19792 10118 15623 14945 21971 10158 22698 11355 25876 6262 15150 13547 27277 7596 16595 19055 25309 12449 13598 14971 438.2633@12.42836 1 1 1 1 1 1 5641 1 1 1 1 1 1 5063 1 1 2814 1 1 1 7019 1 1 1 7059 1 7212 1 1 1 1 1 1 1 1 1 1 7913 1 1 7801 1 6223 1 4748 4430 1 1 1 1 1 1 1 1 1 897.5998@11.936414 15211 31674 53370 16049 28952 16456 11999 16297 29379 17610 30136 17612 36723 38422 40862 19205 11024 16145 10185 1 36947 15208 30890 16511 30284 17863 33731 16449 33850 20510 26349 17373 34029 46965 48885 18558 33895 37556 1354 1 37916 18763 33537 15837 32831 3653 45695 13658 34122 45323 52461 15816 35393 36472 31183 300.1345@11.923022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1638 1 62566 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6415 1 1 1 1 1 1 1 309.3012@11.975796 4635 1 1 3731 1 4116 1 3178 1 4317 1 3452 1 1 1 4361 1 10862 1 1 1 10735 1 4350 1 3789 1 1 1 2947 1 4234 1 1 1 4617 1 1 1 1 1 3254 1 3709 1 1 1 4382 1 1 1 4150 1 1 1 281.2703@11.692468 11743 1 1 3860 1 11753 1 12160 1 3609 1 8127 1 1 1 1 1 13016 1 9905 1 22248 1 20144 1 13002 1 10191 1 7789 1 11819 1 1 1 10197 1 1 1 6553 1 13055 1 79803 1 1 1 13188 1 1 1 12908 1 1 1 GPIns(16:0/18:1(9Z)) 30591 42950 69112 28930 2687 28303 27944 30164 43690 29916 3403 28671 51523 51111 57859 30722 28557 1904 2497 31020 52982 29071 49553 30144 45504 32530 52792 31396 45322 34297 40500 31335 3685 64146 63955 30232 45842 4244 5453 30713 3634 33325 5033 28615 2721 4883 68734 29169 47807 66485 73519 29354 50207 3491 37533 385.3338@11.986642 8294 1 1 1 1 7311 1 7300 1 1 1 9611 1 1 1 1 1 7631 1 25697 1 8123 1 1 1 1 1 1 1 1 1 1 1 1 1 8631 1 1 1 1 1 5874 1 1 1 1 1 10685 1 1 1 7643 1 1 1 349.265@11.9846115 16519 1 1 1 1 57171 1 17034 1 15468 1 15069 1 1 1 22341 1 24344 1 1 1 18513 1 1 1 19963 1 1 1 1 1 19631 1 1 1 18405 1 1 1 1 1 1 1 16695 1 1 1 67543 1 1 1 15800 1 1 1 327.2781@11.993886 1 1 1 12520 1 28480 1 31176 1 13365 1 1 1 1 1 1 1 13791 1 13119 1 12421 1 34331 1 34882 1 32842 1 15576 1 1 1 1 1 1 1 1 1 1 1 36174 1 11784 1 1 1 11296 1 1 1 1 1 1 1 475.3552@11.981537 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 447.3285@12.43051 1 1 1895 1 1 1 1 1 1 1 1 1 1 2275 1 1 1358 1 1 1 1 1 3642 1 1962 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2290 1 1 1 2152 1 1 1 1 1 2229 C25 H47 N O4 53791 42207 1 64763 34173 54754 23128 39169 19053 34143 1 94592 79431 48058 1 53585 27285 43681 48836 48492 62709 46994 46370 43530 35585 45847 19443 25178 23273 68392 20080 40690 36548 1 1 110712 77290 20128 22817 48074 58789 74108 53546 80594 32805 48945 46598 79080 48016 1 1 42841 46538 59872 60938 C36 H71 N O S3 1 21185 1 2653 19405 2079 17876 2398 16571 4059 20905 2499 20284 1 1 2313 11686 2995 15948 3047 17910 3017 18113 2895 19615 1 19062 2757 18071 2541 18190 3284 18710 1 1 3420 16229 1 1 1 17220 2430 16913 1 21258 1 1 1903 20190 1 1 1 18487 1 1 810.5982@11.821633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10166 1 1 1 1 6799 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2196 1 1 1 1 1 1 1 1 1 729.5814@12.007 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.3526@11.990152 1 1 1 3941 1 1 1 1 1 1 1 6020 1 1 1 1414 1 1 1 1 1 3544 1 6690 1 1 1 1 1 2731 1 3810 1 1 1 2172 1 1 1 1 1 5319 1 6113 1 1 1 8823 1 1 1 1 1 1 1 232.181@11.765784 3042 1 1 1 1 1 1 2774 4416 1 3363 1 4471 1 1 2920 1 1 1 2372 3066 1 1 1 1 2399 1 2428 1 3420 1 1 4404 1 1 1 5529 1 1 1 1 1 1 1 1 1 1 3094 1 1 1 1 4755 1 1 507.3669@12.014646 5753 2666 1 5965 1 1 1 5953 1 1 1 10628 1 2448 1 1 1 1 1946 1 3236 1 1 1 4089 3914 1 4978 1 4164 1 8717 1 1 1 1 1 1 1 1 1 5155 1 1 1 1883 1 6707 1 1 1 4618 1 3819 1 C34 H59 N5 O S 3461 16410 1 4167 20468 1 17823 3676 18145 5711 20131 3760 15914 1 1 3831 16935 3783 16607 4321 22879 5046 9807 3923 19553 1 17940 3447 20738 2566 19930 3204 21279 1 1 1 4931 1 1 3234 21527 2825 16882 3520 24414 1 1 2845 20824 1 1 3337 21943 1 1 Gemeprost + 11.990591 1 4514 1 2622 1 1 1 23560 9732 2849 14256 5637 1 1 1 13552 4516 15725 1 15323 1 8923 4855 1 5439 33617 1 1 1620 5370 1 3799 1966 1 1 3957 3024 7064 1 1 7056 4421 1 1 1 3596 8547 7599 1 1 1 2715 1 5031 9333 574.494@12.350919 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1979 1 1 1 1 1 1 1 1201 1 1 1 1 1 1 1 1 1 1 1 1 1 1398 1 383.3036@12.017897 1 1 1 1 1 2510 1519 1 1 1 1 4242 3145 1 1 2981 1 4780 1 2556 1 1 1 3467 1 3790 1 1 1 4925 1 1 1 1627 1 8993 5736 1 1 1 1 2185 1 6945 3381 1 1 3044 1 1 1 2137 1 1 2216 529.3544@11.919315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4796 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 791.5602@11.95142 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1915 1 1 1 1 1 1 1 1 1 1 2714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 281.2709@11.990051 29039 1 1 12561 1 6070 1 8092 1 11635 1 21287 1 1 1 7779 1 22958 1 22953 1 7415 1 1 1 23300 1 8347 1 22488 1 30792 1 1 1 31071 1 1 1 23852 1 8008 1 13040 1 1 1 25492 1 1 1 8663 1 1 1 349.2639@12.02952 51045 1 1 56102 1 1 1 53443 1 49135 1 60023 1 1 1 54693 1 62432 1 57478 1 55245 1 72689 1 61589 1 56691 1 56881 1 54635 1 1 1 42502 1 1 1 20746 1 18505 1 53971 1 1 1 1 1 1 1 47591 1 1 1 25-azavitamin D3 / 25-azacholecalciferol 22900 1 1 23170 1 21317 1 22154 1 22009 1 24950 1 1 1 22744 1 24499 1 9448 1 25957 1 25912 1 21389 1 24617 1 1 1 9193 1 1 1 34550 1 1 1 50063 1 28990 1 49598 1 1 1 20254 1 1 1 22653 1 1 1 309.3008@12.067707 1 1 1 11443 1 5765 1 3146 1 1 1 3848 1 1 1 5022 1 3462 1 2476 1 3928 1 1 1 1 1 2181 1 1 1 11022 1 1 1 5126 1 1 1 3376 1 10341 1 5793 1 1 1 11162 1 1 1 5240 1 1 1 327.2792@12.025463 30462 1 1 29174 1 11473 1 7347 1 30196 1 27911 1 1 1 34265 1 33962 1 33975 1 31904 1 12402 1 15506 1 13770 1 36560 1 50683 1 1 1 39029 1 1 1 39174 1 1 1 27739 1 1 1 27778 1 1 1 32065 1 1 1 GPEtn(18:1(9Z)/18:1(9Z))[U] 59888 59800 101292 52756 63798 50596 58677 55042 60395 55746 64888 62166 78554 71138 80848 57496 31619 53934 62303 68825 85021 55289 74066 56315 68780 63188 78530 55663 75318 63606 58800 58218 77146 86841 88906 57137 73616 55265 63646 64824 90634 63675 73438 64798 57448 93218 97853 63680 57811 85852 96587 55574 66363 44006 42888 C31 H59 N O4 S 1 26443 1 5113 3151 4501 17487 5663 21321 6626 21728 5525 20323 1 1 5220 19269 4425 17518 5070 20425 6233 19377 5219 19690 4806 23987 5262 5895 4656 23351 5191 22507 1 1 5134 20296 1 1 5402 19976 4787 23263 5027 20103 1 1 5190 26317 1 1 4203 20810 1 1 495.3413@12.398874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 421.2913@12.032887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.3182@12.066895 8782 1 1 10816 1 8851 1 18135 1 15667 1 1 1 6207 1 13245 1 16848 1 17066 1 1 1 12841 1 17978 1 16915 1 18197 1 10439 1 1 1 8694 1 4574 5964 11314 1 9245 1 11197 1 6180 1 14773 1 5975 6123 13644 1 1 5709 535.3654@12.078333 1 1 1 3486 1 3897 1 3321 1 1 1 1 1 1 1 4465 1 4802 1 3221 1 1 1 5422 1 3180 1 2192 1 6232 1 2720 1 1 1 2935 1 1 1 5005 1 5146 1 6781 1 1 1 6075 1 1 1 4446 1 1 1 C37 H71 N O12 72246 82790 114012 63950 79954 62177 80880 65083 79205 69784 89144 66983 90711 88823 11785 63923 38739 67767 54071 71984 102368 64145 92615 67077 87551 68741 97908 69332 96241 70000 75408 66491 98544 105906 104074 67112 85763 76663 75352 78001 106782 71204 92118 69717 83614 8476 107432 63688 89131 102559 127443 68617 96118 66255 59210 288.23@12.070748 1 1 1 1 1 6272 1 1 1 1 1 1 1 1 1 1 1 5656 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3013 1 5126 1 1 1 1 1 1 1 5590 1 1 1 1 1 1 1 7367 1 1 1 C29 H55 N O3 S 6210 24937 1 6157 5375 6090 9062 7515 3306 7347 27788 7050 23678 1 1 6484 18573 5623 18505 6080 27136 6586 26873 5265 24144 6039 5366 6033 22057 7604 20129 7095 21268 1 1 7611 21073 1 1 5125 23670 6219 20407 6174 24896 1 1 1 25122 1 1 8143 6304 1 1 C12 H31 N7 O2 1 1 4872 1 1 1 1 1 4793 5138 2824 4628 4897 1 1 3907 2635 5618 2795 3640 1 1 1 6414 1 1 1 1 1 1 1 1 3562 1 1 1 3197 3878 1 1 1 1 1 3990 3705 3521 1 1 3643 1 1 4743 1 4573 1 13(S)-HpOTrE(gamma) 16770 8689 11267 17274 8777 16336 3827 16185 5419 18397 7071 16748 8100 10959 8986 18847 3322 17197 1 16480 9724 19798 7900 18178 8436 15861 9447 17693 9496 19093 8664 15641 8438 11230 10184 12293 9696 8600 8915 17428 9978 16273 6998 18064 1 8912 9898 17499 5093 10676 15252 19007 8741 8922 9176 335.3016@12.072353 3011 4879 1 1 2023 1 2637 1 5719 3139 2680 1 2588 2086 1 1 3845 5961 1 1 5005 1 4555 1 2680 1 1 1 6162 1 1 1 2957 1 1 1 1 2615 1 1 5365 3399 7122 1 4756 1 1 1 2726 4879 13821 1728 4965 1 1 729.5813@12.096746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3330 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Gemeprost + 12.058225 4213 3860 2737 6295 1 5021 1 4457 1 14692 3067 1 5522 1 1 1 1 3756 2069 3162 7868 1 2472 3795 3386 2868 5881 3856 5002 1 1 2000 6185 1 1 1944 5595 1 2078 4112 2515 1 1 1 1 9697 2277 15923 1 1 1 4279 7108 1 1 523.3638@12.050119 1 1 1 135769 46689 1 42718 2083 1 1 1 1 88569 1 1 1 75802 1 111801 1 1 2631 1 1 1 1 900720 2691 1 1 1 1258 1 10589 1 1 1 1 1 1 3813 2895 1 1 1 1 1 2532 3291 1 1 1 1 1 1 25-azavitamin D3 / 25-azacholecalciferol + 12.081983 29075 1 1 47708 1 30374 1 29516 1 27764 1 31189 1 1 1 31472 1 53373 1 34925 1 32550 1 29172 1 7269 1 28756 1 25982 1 23130 1 1 1 20992 1 1 1 30479 1 35892 1 29277 1 1 1 28823 1 1 1 29467 1 1 1 C35 H67 N O11 56620 103618 9846 46276 91256 45026 3860 49496 88854 51450 98520 49734 96617 6712 13370 52016 2642 49704 85859 50674 7430 46219 11563 48173 7923 50637 1890 47361 103630 52424 7990 1 8619 11491 10732 48215 9146 86534 84699 53300 10358 52163 8426 50598 97380 121055 121187 50462 2766 117790 150333 1 8315 7824 8195 365.2353@12.168069 5477 1 1 4309 1 8332 1 6811 1 6649 1 7201 1 1 1 9971 1 4586 1 3806 1 5143 1 13469 1 6511 1 5806 1 4838 1 4517 1 1 1 1 1 1 1 8881 1 7352 1 3654 1 1 2680 2946 1 1 1 3887 1 1 1 281.2704@12.066592 26339 1 1 24602 1 20029 1 21775 1 28507 1 29496 1 1 1 21361 1 7076 1 30362 1 31645 1 27493 1 8415 1 20519 1 30422 1 24484 1 1 1 26261 1 1 1 31550 1 21552 1 19779 1 1 1 28925 1 1 1 22090 1 1 1 C21 H35 N O3 65680 1 1 72465 1 73005 1 68667 1 68842 1 73681 1 1 1 77783 1 80612 1 79329 1 75366 1 74162 1 78117 1 75653 1 22289 1 77521 1 1 1 48493 1 1 1 55877 1 54595 1 73798 1 1 1 75749 1 1 1 64010 1 1 1 C19 H37 N O3 41751 1 1 39111 1 38092 1 37509 1 38670 1 36666 1 1 1 42099 1 44548 1 42831 1 47915 1 46233 1 42826 1 43920 1 45437 1 46939 1 1 1 48221 1 1 1 45656 1 46403 1 34775 1 1 1 36050 1 1 1 37191 1 1 1 C21 H43 N7 O2 5346 1 11385 10373 5466 2082 1 10212 1 4772 24513 15536 1 8692 1 4963 1 7241 1 1 1 1 1 1484 1 5118 1 1 1 8219 1 8588 1 1 1 6896 1 1 1 5463 1 6856 1 9142 1 5525 1 9557 1 1 1 1 1 1 6406 C15 H32 O3 7549 8273 1 7821 6973 7767 7003 8122 6528 8227 7287 7273 8112 10872 12203 7622 4341 7625 6491 7127 7379 7176 7113 6795 7530 6631 7833 7484 7421 7377 6847 7601 7353 10595 10543 6557 7195 9331 8150 6777 8936 7177 7796 7427 7408 11714 12435 8395 7191 11532 10456 7653 8260 8691 8443 C11 H31 N7 O 5753 6822 1 5242 7078 1 1 1 1 5347 6505 1 1 1 1 5213 5312 1 1 1 6684 1 6893 4541 1 1 7159 1 7450 1 7017 6223 7559 1 1 1 6468 1 1 5077 1 5764 7265 1 1 1 1 1 6673 9065 11050 5421 6957 1 1 535.3657@12.114415 1 1 1 4119 1 1 1 3419 1 1 1 1895 1 1 1 3985 1 2857 1 2575 1 1 1 5218 1 5162 1 1 1 1 1 2785 1 1 1 1 1 1 1 4107 1 5111 1 6507 1 1 1 8392 1 1 1 4563 1 1 1 C33 H63 N O10 1689 97761 124110 30607 89279 28355 73748 33604 97829 33671 88946 33723 94794 98718 112076 32983 31239 30866 1 32615 112198 30995 102310 32174 90828 36077 100105 32552 98222 35112 3495 35393 94538 113170 116702 37308 90797 87974 91759 32381 101246 34505 93478 33766 98449 116816 115613 33091 1 117648 135566 35373 106192 71402 66512 365.2703@12.131045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2605 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 685.4594@12.105729 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3161 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3484 1 1 1 4041 1 1 1 C20 H39 N O 12357 1 1 4221 1 12276 1 11380 1 11351 1 11467 1 1 1 11063 1 3735 1 11266 1 2696 1 11428 1 11836 1 9451 1 9610 1 4222 1 1 1 10567 1 1 1 8330 1 10646 1 11215 1 1 1 5979 1 1 1 12532 1 1 1 390.2761@12.179471 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2352 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C19 H41 N 8152 59557 23531 8185 55340 9090 44906 7542 57078 7312 54714 7459 55469 20380 21630 8350 2861 8240 44389 7919 63776 7057 60388 9355 52800 9449 60309 1 59895 11721 65040 8062 66737 21884 21485 8728 59260 20319 20906 8706 64476 9393 60563 8215 55210 23684 24865 8377 59943 22151 23436 7249 54924 17714 19310 227.2168@12.139707 1 1 1 4108 1 1 1 6595 1 1 1 1 1 1 1 1 1 3525 1 1 1 3516 1 1 1 1 1 1 1 1 1 1 1 1 1 3758 1 1 1 1 1 1 1 1 1 1 1 4045 1 1 1 1 1 1 1 665.4254@12.141483 1 1 5076 1 1 4126 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2259 1 2197 1 5050 1 1718 1 2055 1 2422 1 1 1 2484 1 1 1 1 1 2163 1 1 1 13698 13810 2847 1 1 1 2218 1 1 1 296.23@12.018611 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1936 1 1 1 1 1 1 1 1 497.3717@12.153459 1 1 1 1 1 2184 1001 1 1 1 1 1 1 1 1 1452 1 1 1 1 1 1 1 3215 1 1 1 1 1 1 1 1 1 1 1 4465 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C31 H59 N O9 33362 82872 110930 25048 79449 24014 1 24312 83644 25003 81908 27889 81371 93830 14562 29085 69098 28290 72852 28264 105374 24221 89838 25689 81728 32846 92418 26099 89414 28293 77421 26824 87090 107110 111455 27646 83811 92610 84551 28118 92728 29861 79225 26567 101771 110830 110107 22433 89008 117169 136091 26950 93349 67780 61677 798.6305@12.321558 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C24 H41 N3 7193 1 15654 3500 1 4212 1 2703 1 4649 1 4937 1 23753 29634 1 1 4396 1 5004 1 5606 1 5875 25604 4970 23635 4591 24379 4869 28389 6080 1 17429 16217 4866 1 18581 1 5839 1 4678 1 5333 1 20411 21885 1 1 26532 1 1 1 1 1 506.3542@12.409647 1 1 1 1631 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2576 1 1 1 1 1 1 1 1 1 1 C33 H55 N O3 S 31744 73629 4880 18281 65472 22927 6605 17841 72234 20320 7910 1 66320 84731 9159 23135 76022 22816 12175 22888 80986 19900 85003 10970 66140 22989 84049 18937 72143 20693 71353 20072 70474 8782 95033 20735 67991 4198 84887 20451 80971 17730 67381 24935 69473 4074 88795 18432 98922 97658 121459 20963 74328 57842 48705 487.3243@12.158584 1 1 3491 1253 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1892 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2865 1 1 1 1 1 1 3000 1 1 1 1 1 1 1 1170 2961 C21 H43 N3 O3 17556 1 1 18772 1 20017 1 21565 1 20011 1 19600 1 1 1 22686 1 21787 1 23285 1 21476 1 21987 1 28752 1 20681 1 47049 1 32788 1 1 1 10801 1 1 1 35167 1 24004 1 20338 1 1 1 20863 1 1 1 18628 1 1 1 349.2608@12.187635 34657 1 1 41746 1 47524 1 40892 1 40822 1 40262 1 1 1 48057 1 53668 1 46174 1 130779 1 139632 1 48341 1 46955 1 77470 1 45948 1 1 1 23328 1 1 1 77641 1 75118 1 44438 1 1 1 61034 1 1 1 35299 1 1 1 767.58@12.272309 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11481 1 1 1 1 1 1 1 9542 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.5901@12.248898 1 1 1 1 1 1 1 1 1 10306 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4390 1 1 1 1 1 5903 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C19 H37 N O3 + 12.189693 26582 1 1 27798 1 29115 1 27856 1 26051 1 24260 1 1 1 27549 1 28040 1 28163 1 27868 1 30880 1 31193 1 28009 1 32459 1 32325 1 1 1 31425 1 1 1 34056 1 32144 1 21938 1 1 1 25395 1 1 1 25474 1 1 1 281.271@12.172337 21494 1 1 20389 1 30208 1 21123 1 29614 1 21145 1 1 1 1 1 32233 1 21670 1 21309 1 22368 1 28095 1 30144 1 20277 1 21700 1 1 1 20048 1 1 1 21537 1 26712 1 19940 1 1 1 21897 1 1 1 21282 1 1 1 365.2369@12.216842 8562 1 1 4328 1 3200 1 9928 1 6824 1 6504 1 1 1 1 1 5212 1 4789 1 4286 1 5708 1 4460 1 17409 1 3701 1 2439 1 1 1 2121 1 1 1 4393 1 6921 1 4129 1 1 1 3535 1 1 1 5528 1 1 1 394.3275@12.617619 1 1 1 1 1 1 1 1 1 1 1 1 1556 1 1 1 1 1 1 1 1 1 1441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 481.3198@12.230056 1 1 1 2178 1 5830 11375 3951 9757 1 1 4275 1 1 1 3428 1 1 1 1 1 1 1 4113 1 4401 1 2698 1 6205 1 3159 1 1 1 42496 1 12573 15070 1 1 5479 1 4484 1 1 1 3415 1 1 1 1 1 1 1 451.3601@12.203927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2771 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.3531@12.190136 1 1 1 2499 1 2213 1 1 1 1 1 2987 1 1 1 1 1 1 1 1 1 1 1 1 1 1534 1 1 1 2787 1 1 1 1 1 1 1 1 1 1 1 2955 1 2975 1 1 1 4040 1 1 1 2257 1 1 1 322.2463@11.9235525 2777 1 1 1 1 1 2583 1 1 1 1 1 1 1 1 1 1 1 1 1 2187 1 2578 1 1 1 2832 1 1 1 3209 2146 1 1 1 1 1 1 2170 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1527 349.2602@12.260587 99224 1 1 115865 1 134407 1 126649 1 120187 1 109432 1 1 1 140920 1 145077 1 135085 1 41097 1 48317 1 149111 1 141345 1 47686 1 140907 1 1 1 74214 1 1 1 45721 1 46918 1 120069 1 1 1 140564 1 1 1 97574 1 1 1 C24 H51 N7 S2 29664 51732 74684 17825 5515 18174 31369 1 57651 19993 4828 18392 57763 69259 79385 19491 32376 19669 42786 18860 73841 18581 63409 18452 54646 23150 62671 19363 56871 17818 53321 18542 5255 69754 73892 20947 53121 5470 57268 17753 57702 18157 54536 21760 60099 6728 75142 10387 62297 74431 95823 19179 61170 40690 38450 296.2321@12.074094 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1848 1271 1 1 1 1 1 1 1 19280 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1947 3265 1 3752 1 1 1 1 1 1 1 1 C37 H67 N5 O2 S2 5390 1 122090 4461 1 1 84995 5321 1 4076 7386 2887 1 94097 99842 1 81357 1 1 1 112888 1 97854 2873 88267 4111 99887 5704 1 1 82665 49394 96368 113255 111631 3102 92364 7054 8140 5243 112330 3152 92429 1 1 1 1 4774 13461 16163 1 53153 104733 73505 67934 535.3668@12.229654 1 1 1 1 1 1 1 1777 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3152 1 1 1 1 1 1 1 1414 1 1 1 1 1 1 1 1 1 1 1 1535 1 1 1 1 1 1 1 1 1 1 1 trans-3-Hydroxycotinine glucuronide 5810 6269 4666 5707 6003 3403 7164 3560 8135 6432 6929 6678 7003 4532 4619 4954 5966 5829 6661 6334 6789 5964 4173 3689 6052 5969 6785 5428 7254 5667 6583 6170 6766 4777 4820 4950 6795 4856 5317 5250 6740 6871 6409 6413 7397 4752 5029 6563 4185 5674 1 3767 8283 4864 5896 338.2888@12.227701 2671 1 1 1 1 1 1 1 1 2546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2553 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1821 1 1 1 1 1 1 1 C26 H51 N O S2 29725 39208 57724 13245 40098 14238 29871 14826 40818 14778 41524 13554 40794 52007 58033 14018 3679 16210 36308 16923 62488 13923 4462 15967 47619 1 39084 14972 43540 15587 44309 16096 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506.3495@12.177438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3684 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1298 1 1 1 1 1 1 1 1 561.317@12.248079 1 1 1 1 1 2541 1 1 1 1 1 2636 1 1 1 1 1 2025 1 1 1 1 1 2359 1 1 1 1380 1 4547 1 1 1 1 1 1 1 1 1 1 1 3288 1 3357 1 1 1 1 1 1 1 1 1 1 1 841.6233@11.90937 1 1 1 5260 1 1 1 1 1 1 1 1 1 1 1 11431 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 805.5608@12.039948 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7412 1 1 1 1 1 1 1 1 1 1 41883 14237 1 1 1 10169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 613.3324@12.252674 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3093 1 2344 1 1 1 1 1 1 1 1 1 1 1 545.3496@12.257755 19000 1 1 15678 1 38376 1 22891 1 11247 1 48422 1 1 1 25482 1 25614 1 26609 1 1 1 38220 1 20691 1 21495 1 62150 1 27933 1 1 1 20778 1 1 1 18700 1 46425 1 52694 1 1 1 26274 1 1 1 27361 1 1 1 C22 H45 N13 S 197120 39494 1 15724 1 345179 3734 232011 34202 125100 34843 424945 16865 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4873 1 2200 12831 14204 1 4717 5598 1 1 1 5038 15122 3728 1 1 1 1 1 3773 14718 C31 H56 N2 O2 S 3309 1 1 3811 1 5497 1 1 1 1 1 5427 1 1 1 3144 1 2885 1 3546 1 2311 1 5292 1 1 1 3576 1 5746 1 2952 1 1 1 14617 15153 1 1 1 1 1 1 9268 9218 1 1 1 1 1 1 1 1 1 1 8R-hydroxy-9Z-octadecenoic acid 2929 7068 10000 1 8357 1 11361 1 7949 1 8218 3356 9315 9500 10637 4634 6839 1 11780 3742 12628 1 8309 1 8855 3946 11990 1 12798 1 13573 4569 14498 10130 10056 2309 8762 11325 11624 4678 10349 2970 13181 1 8457 9834 7442 4415 13132 6654 1 1 10334 10286 6387 C23 H53 N5 O6 1 1 1 1 8650 1 4397 2100 6683 2045 8371 1728 1 5106 1 3055 8178 1 8869 2604 10854 1 7483 1 8884 2216 8721 3092 8502 2305 8254 1 9389 1 1 1 9285 4929 1 1 1 1 5883 1 8488 4012 6112 1 7745 1 1 1 7382 1 3899 758.5673@12.260195 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27192 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 841.6217@12.536554 1 1 1 1 1 1 1 2426 1 1 1 1 1 1 1 6230 1 1 1 1 1 1 1 1 1 6087 1 1 1 1 1 1 1 1 1 1 1 1 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17762 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C32 H61 N O3 S 1 9017 5094 3624 6266 3005 1 3611 1 3551 1 3328 3979 6175 4894 3149 1 1 1 3077 1 3643 10006 3695 1 3822 9184 3689 9164 3705 6994 3491 8266 5824 5462 3347 1 4401 1 2918 11840 3549 1 3008 1 39471 1 3418 1 4771 4899 1 9412 4197 4433 381.2892@12.337918 1 1 1 2090 1 3685 2739 1 1 1739 1 1 3751 1 1 1 1167 1 1 2765 1 1 1 3506 1 1 1826 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6185 5170 3808 5016 6980 6440 1 1 1 1 1543 1 519.3112@12.418 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 517.3226@12.42 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 531.3794@12.301136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 492.1949@12.4169855 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 489.2976@12.422056 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 475.3147@12.437225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Oleoyl amine + 12.400412 52425 1 1 54538 1 58583 1 52737 1 56901 1 54604 1 1 1 53787 1 60696 1 53913 1 53083 1 53300 1 63294 1 55551 1 57530 1 57906 1 1 1 51166 1 1 1 54943 1 58641 1 54706 1 1 1 52581 1 1 1 53934 1 1 1 404.8416@12.43 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 830.2162@12.43 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 751.4877@12.427551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 503.3005@12.439973 1 1 1 4028 1 5830 1 3730 1 1 1 1 1 1 1 2703 1 1 1 1 1 1 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1 1 1 1 1 1 1 5659 1 1 1 1 1 1 1 1 1 1 1 C28 H47 N5 O10 10512 1 1 17797 1 21209 1 20126 1 10470 1 19189 1 1 1 15016 1 16144 1 15497 1 13975 1 29651 13695 21273 1 21575 7196 36911 1 22700 1 1 1 10136 1 1 1 12837 1 25144 9406 21785 1 1 16742 15744 1 1 1 14355 1 1 1 549.365@12.494602 1 1 1 2274 1 3678 1 1 1 1 1 1 1 1 1 1 1 1839 1 1 1 2261 1 1 1 1 1 1472 1 4462 1 1 1 1 1 1 1 1 1 1 1 2837 1 2796 1 1 1 1 1 1 1 1 1 1 1 884.6581@12.502375 5263 1 1 7636 1 2808 1 1 1 1 1 15633 1 1 1 2029 1 4612 1 6224 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13346 1 1 1 5513 1 9112 1 13548 1 1 1 8388 1 1 1 8515 1 1 1 C24 H51 N15 S 17937 2597 1 28144 1 38836 1 34058 1 17779 1 34031 1 1 1 24222 1 27372 3234 25898 4551 22746 2885 56428 5903 34732 1 36050 4106 70464 2086 39062 2989 1 1 17082 1 1 1 22308 2800 45130 4622 41992 1 1 7625 27644 1 1 1 24764 3296 6533 6089 C26 H51 N5 O2 S3 12487 17783 1 20073 15950 24283 11915 22601 1 12935 8309 21985 43485 7506 1 17667 6336 18234 15964 17902 36487 15476 21423 34644 48317 21954 9943 24094 24813 41378 15930 26567 34315 1 1 12910 12447 16509 13528 14766 25328 28783 31444 27684 12813 19927 12937 18945 12089 1 1 17978 48992 21471 22738 C31 H55 N O11 S2 3506 2316 1 5671 1 8278 1 7974 1 4866 1 6415 5178 1 1 6227 1 4929 2241 4801 2285 3898 2439 9831 1 7010 1 7602 2774 10382 2225 8218 3497 1 1 2929 1 1 1 3438 1 6768 2496 8787 1 1 1 6696 1989 1 1 6145 5836 1 1 675.9538@12.504717 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1447 1 1 1 910.6714@12.505008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1415 1 1 1 1 1 1 1 1 1 1 1 546.8989@12.509 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.3834@12.546875 1 1 1 1 1 1113 1 1 1 1 1 1642 1 1 1 1 1 1 1 1 1 1 1 1709 1 1276 1 1 1 2293 1 1185 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5204 1 888.6871@12.499395 1 1 1 1164 1 1 1 1 1 1 1 1599 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2317 1 1 1 1 1 1 1 1 1 1 1 1 1 1965 1 1 1 1 1 1 1 1 1 1 1 Cerebroside C 11052 27158 3410 13051 33716 9330 23639 10486 5698 10095 32936 10547 37090 1 1 11516 29142 10279 29565 10310 25372 9337 1791 9200 38807 10843 38256 11217 39866 10841 32771 10075 36028 1 1919 15751 29928 1 1 11503 44196 10096 34984 11765 33996 1 1 8373 30620 1 1 12641 34272 1 1 2-Amino-3-methyl-1-butanol + 12.509543 206638 400624 268385 24163 1 1 360429 402106 304572 1 291265 63482 563772 581587 1 1 1 304754 365914 1 543727 299781 421508 1 602248 445890 282672 1 475433 365081 437938 448283 522668 1 98826 1 347555 1 551489 1 478853 430812 578001 330553 316753 1 719675 278554 339379 1 1 261145 572258 639742 1 843.6166@12.662356 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 769.5875@12.972375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4141 1 1 1 1 3371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7539 1 421.305@12.526842 1 1 1 1 1 1 1 1 1 1 1 1 1 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1 10045 1 1 1 1 1 1 1 327.2754@12.748996 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 349.2799@12.440451 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4216 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17673 1 1 1 1 1 1 1 739.5154@12.728027 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8615 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 897.5501@12.86924 2100 1 1 1617 1 4354 1 1 1 1 1 2482 1 1 1 1348 1 1 1 2207 1 1345 1 1182 1 4377 1 1439 1 1 1 2088 1 1 1 1 1 1 1 1718 1 1554 1 1339 1 1 1 1 1 1 1 3247 1 2518 1 435.3347@12.730776 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2381 1 2731 1 1 1 1 1 1 1 1 1 1 1 3453 1 1 1 1 1 1 1 4086 1 1 2352 1 1 1 1 1 1 1 1 525.4079@12.585565 1 1 32160 1 1 1 1 1 1 1 1 1 1 3855 1 1 1 1 1 1 1 2021 9383 1 1 1 1 2506 2729 1 1 1504 1 1 1 1 1 1 1 2081 5246 1 1 1 1 1 1 1835 6301 1 1 1 1 1 1 424.3529@12.724057 1 1 1 9154 1 10928 1 1 1 1 1 13821 1 1 1 1 1 6138 1 4122 1 1 1 1 1 1 1 1 1 11501 1 1 1 1 1 9558 1 1 1 1 1 1 1 12572 1 1 4775 5516 1 1 1 1 1 1 8244 911.5496@12.6887045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.3774@13.134349 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2338 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5871 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1785 1 1 1 781.9002@12.766274 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C28 H53 N O2 S + 12.730522 13330 60442 11935 15551 62995 14353 66820 12678 67523 12831 61173 15374 66199 10230 1 16208 65418 13028 74016 13888 79541 14831 66706 15921 65267 12975 60457 15409 75220 14258 62621 14638 60406 11384 1 16188 61838 1 8782 15477 81833 12272 59459 15976 62754 21552 20543 16976 76716 1 1 17677 71492 11154 9445 C23 H50 Cl N5 O3 1 13602 1 1 9181 1 2725 1 6627 14193 7871 1 7381 1 6513 1 5820 1 5492 1 7137 1 7687 1 8087 1 8678 1 8466 8100 8233 1 13275 1 1 2804 7927 5613 3092 1315 9189 1 10023 1357 4809 1 3142 1033 5684 1 1 1 7430 1 8032 939.519@12.632363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2345 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2676 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 469.3718@12.840512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1675 1 1 1 1 1 1 1 1 1 551.3935@12.759295 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1500 1 1 1 1141 1 1 1 1 1 1 1 1998 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 899.5614@12.578794 1 1 1 1 1 1 1 1 1 3355 1 1 1 1 1 1 1 1 1 1 1 1881 1 1 1 1869 1 1 1 1 1 1090 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 872.5311@13.0195055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9694 1 1 1 3939 1 1 1 1978 1 1787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3298 1 1 1 415.339@12.775248 1 1 1 4403 1801 4876 1 6486 1 7515 1 1 1 1 1 5095 1 4803 1 5322 1 7263 1 4635 1 6732 1 9358 1 9035 1 1 1 1 1 1 1 1 1 5019 1 1 1 1 1 1 1 14643 1 1 1 1 1 1 1 783.9132@12.822489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5835 1 5523 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 521.5925@12.868995 1 1 1 1 1 1 1 1 1 1 1 1989 1 1 1 1 1 1 1 1 1 1 1 1 1 1184 1 1 1 1 1 1 1 1 1 1 1 1 1 1560 1 1812 1 1 1 1 1 1 1 1 1 1 1 1 1 379.3239@12.786613 20146 1 1 20682 1 18632 1 19977 1 18830 1 21320 1 1 1 20135 1 18717 1 17417 1 18426 1 16297 1 18636 1 1 1 21218 1 19502 1 1 1 16747 1 1 1 17519 1 20489 1 22424 1 1 1 19099 1 1 1 18648 1 1 1 657.5013@12.760577 6937 1 1 5354 1 6329 1 6346 1 2466 1 1 1 1 1 3847 1 1 1 10243 1 7670 1 3291 1 1 1 1 1 1 1 8468 1 1 1 1 1 1 1 6316 1 4981 1 4446 1 1 1 1544 1 1 1 6909 1 1 1 C29 H28 N2 O 4757 1 1779 4815 1 5268 1 4863 1 5738 1 4828 1 1636 1 6016 1377 3969 1 5444 1 1 1 6649 1 7429 1 8195 1 9443 1 6631 1 1856 1 4240 1 1 1 5053 1 6429 1 4771 1 1 1 4221 1 2316 1 4913 1 1 1 C12 H26 N8 O S2 4583 4406 2606 1 4080 4696 1 3439 4457 5243 1 4014 3958 1 2706 1 4046 4771 2332 4872 3863 1 4116 1 1 4627 4942 4887 4118 4952 4166 5360 5336 1 1 1 4093 1 2900 1 4407 5092 4073 4717 4444 2838 1 4970 3797 1 1 1 4363 2994 2753 C14 H6 N2 O3 11057 8152 6013 11699 8352 10573 8148 12125 8299 11307 7749 9258 7757 7084 6340 10817 7298 11106 5774 10412 11308 11765 8424 11326 8295 10853 8467 10651 8858 11288 8976 10822 8433 5810 5748 10808 8120 6061 1 10887 8359 10392 9298 10626 8499 1 6221 11669 8379 6457 5857 12322 8985 5812 1 384.1534@12.771366 1 2482 2090 1 2221 3067 1 3435 1 3386 1 2452 1 1 2719 1 1249 3272 1 1 1 3145 2960 1 1 3124 1 4137 1 4328 1 1 1 1 1 1 1 1 1 1 1 3087 1 2978 1 2064 1 1 1 2968 1 3111 2507 1 1 13S-hydroxy-9E,11Z-octadecadienoic acid 15691 23048 40029 17104 22540 17001 15584 23744 17475 26981 23663 14153 17371 35320 35099 19670 16524 17041 11310 16509 15897 16981 20375 22272 13738 26661 24122 12043 25954 24542 18259 18874 1 37404 33693 14218 16074 22038 21744 18098 19250 17370 19457 19354 14112 1 19186 22193 20268 31935 31811 18037 17936 19606 20880 PGE1 alcohol 1 8368 9752 3133 2256 1 1 4852 8098 1 6925 1 6526 7951 8448 1 1886 4015 6003 1 7202 3638 7174 5240 6578 3883 6992 1 6362 5400 6803 4502 6415 8245 9395 1 6637 7249 1 1 7341 1 8586 1 7341 8313 9128 1 7831 7394 8662 4066 7541 5657 6319 C18 H38 O4 9568 12411 16661 10087 11412 10063 12654 10018 12078 10335 12570 10806 11704 12153 13404 10104 5290 9828 13056 9399 14011 10366 13139 10174 12899 10652 13449 9987 15174 11123 12862 10783 13569 13494 14428 8361 11561 11864 12822 10050 13083 9629 13557 11678 12888 13919 12987 11638 12819 13352 15702 10389 12091 12464 11146 288.2653@12.80313 9692 1 1 11897 1 1 1 12742 1 6276 1 8743 1 1 1 6155 1 1 1 1 1 1 1 1 2434 5759 1 10550 1 11940 1 5138 1 1 1 1 5382 1 1 8461 1 9887 1 1 1 1 1 1 5117 1 1 1 1 1 1 C12 H33 N7 O 45849 45578 50458 28646 46447 45253 45679 46676 45078 46204 47873 44295 47568 52306 52903 50769 42908 47145 39728 45208 47489 46958 46231 48949 46600 47116 44972 48880 43882 51479 44226 47969 47277 51819 52043 44972 47233 46404 46237 44779 49838 48077 47170 45515 44299 50772 51770 44239 44965 47715 49335 45334 45508 47582 45802 C19 H37 N5 31233 52898 58477 32381 48292 31043 51825 34693 53048 29557 52300 29746 52401 54491 53973 32803 3083 33582 28666 31803 57908 31676 53853 31738 54022 32994 52633 36542 57499 32393 51264 34718 52946 54622 54444 30101 54056 50418 47313 29078 56186 32016 51229 34577 51609 59608 53507 35580 53939 54048 53534 33122 52977 46227 47526 C16 H34 O3 49431 34027 42996 49373 33074 51813 31977 51561 33996 52941 30831 49094 33524 37642 36362 50564 29911 50444 29005 47278 35794 49734 33690 49785 33647 49564 33917 51882 35941 52442 34317 49288 37099 39032 37437 48295 33702 32907 33811 48927 35174 48171 34111 58793 32246 38647 35451 51565 32089 35460 40499 52870 34222 31750 35553 898.557@12.757611 1 1 1 1 1 1 1 1 1199 1 1 1 1 1 1 1 1 1 2482 1 1 1 1 1 1341 1 1 1 1 1 1 2355 1 1 1 1 2018 1 1 1 1 1 1 1 1875 1 1 1 1 1 1 1 1 1 1 940.5205@12.695925 1 1 1 2197 1 1 1 1199 1 1 1 1 1 1 1 1 1 1 1 5322 1 1 1 1 1 1966 1 1 1 1 1 2107 1 1 1 1 1 1 1 1322 1 1 1 6538 1 1 1 2542 2810 1 1 1 1 1 1 428.2571@12.953987 1 1 6728 1 1 1 1 1 1 1 1 1 1 5278 4288 1 1 1 1 1 1 1 1 1 1 1 1 1 1771 1 1 1 2573 6472 4527 1 1 1992 2979 1 1 1 3269 1 1 1544 4062 1 1 1 5778 1 1 1 3334 305.2916@12.929837 7864 1 1 6781 1 8544 3115 19078 1 8952 1 15762 12921 1 1 13103 1 11008 2902 3251 8183 10782 1 20848 5468 7763 14144 1 1 22372 1 9330 9391 1 1 1 1 1 1 16821 9001 18871 1 15884 1 1 1 6601 1 1 1 1 1 13141 1 C29 H45 N7 O 12180 1 1 17438 1 7197 1 12704 1 7928 1240 19617 11039 1 1 10497 1 11018 1 12381 2900 11187 3838 16268 9415 10152 1 13629 2161 19494 1 16071 6219 1 1 10615 1 1 1 13711 8478 16765 1 19711 1 5546 5351 24036 1 1 1 15966 10612 5310 1 C27 H23 Cl O5 1 7510 2668 1706 8352 1524 12425 1427 9172 1 14373 1771 14761 4790 1 1632 4834 1 9095 1732 13409 1 14598 2106 18612 2011 14995 1 19131 1 3372 1897 14453 2069 2368 1325 19194 2881 2764 1452 19423 2373 20591 1815 7508 40246 41304 1947 7300 2168 1 1 9840 2876 1 608.332@13.095945 8252 1 1 1 1 1 1 1 1 1 1 4250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3950 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 466.3643@12.816906 1 1 1 1 1 1783 1 2931 1 1 1 17840 3154 1 1 2449 1 7760 1 9636 1 1 1 11838 1 6677 1 1 1 15796 1 1 1 1 1 2097 1 2551 1 2332 1 5884 1 20086 1 3241 11891 15242 1 1 1 1 1 8720 7892 658.4995@12.913846 2451 1 1 1 1 2117 1 1 1 1788 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1371 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1847 1 1 1 1 1 1 1 1 1 1 1 1 1 529.3545@12.823148 1 1 1 1 1 1258 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2278 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.3478@12.7917385 1533 1 1 1 1 3711 1 1 1 1 1 3701 9194 1 1 1 1 1 1 1 8018 2030 1 5108 1 1 1 1 1 5035 1 1 1 1 1 3737 1 1 1 1 1 1 1 5583 1 5291 4947 5832 1 1 1 2724 1 4809 4009 867.6388@12.652263 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3678 1 1 1 4707 1 1525 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1556 1 1 1 1 1 1 1 402.2261@12.872744 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 222.1596@13.087341 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2714 1 1 1 1 1 1 1 1 1 819.5315@12.891526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13422 1 1 1 1 1 4773 1 1 1 1 1 1 1 2714 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C25 H49 N O4 16007 1 1 27324 18641 20643 1 20125 1 13285 1 47833 29265 8931 1 18358 14833 22731 11273 15858 1 11235 1 18127 1 13484 1 10678 1 22414 1 13416 14386 1 1 28353 1 3507 1 11403 1 31773 23175 45179 1 1 1 22396 1 1 1 13747 12975 17677 23270 688.5509@12.853306 243406 1 1 219390 1 1 1 224496 1 230915 1 245335 1 1 1 138564 1 228628 1 176817 1 1 1 1 1 1 1 1 1 1 1 2320 1 1 1 161374 1 1 1 216241 1 1 1 264936 1 1 1 384053 1 1 1 315901 1 1 1 810.0477@12.98055 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9540 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 359.3271@12.833599 1 1 1 1 1 1 1 1 1 1 1 1 2072 1 1 1 1 10048 1 1 1 1 1 1 1 1 3322 1 1 1 5968 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 62399 1 1 1 1 1 1 1 1 710.5318@12.825266 1 1 1 31794 1 16089 1 1 1 33954 1 33063 1 1 1 1 1 30129 1 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23320 400.327@12.842186 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 831.5739@12.7771225 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34078 1 1 1 1 1 14004 1 1 1 1 1 1 1 22151 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 GPIns(16:0/16:0) 1 13423 1 1 44887 1 30727 1 1 39511 9650 1 15004 5895 1 1 1 65376 25828 1 8025 13498 8068 14142 8398 1 9502 39175 3551 16866 1 63144 2180 1981 1 12468 208794 48235 52659 41899 36549 1 7428 24532 80212 42646 13470 89413 107843 232115 1 14136 17687 3847 1 C16 H24 N6 6676 7622 1 1 1 14638 12535 1 1 1 1 1 12946 1 1 3505 1 7564 7524 5244 13304 5932 13124 7293 8287 5515 1 1 9012 1 1 1 8572 1 1 1 7773 1 1 1 7108 1 1 7872 6138 9026 1 1 1 1 1 5483 10684 4601 1 789.5832@12.925669 1 1 1 1 1 1 1 1 5218 1 1 1 12587 2245 7084 1 4916 1 5119 1 14637 1 8446 1 1 1 3472 1 1 1 10498 1 6678 1 2716 1 8872 1 1 1 1 1 7674 1 1 4518 5082 1 1 8519 16071 1 1 1 1 781.5642@13.016682 1 1 1 1 1 1 1 1 1 1 1 1 1 112158 1 1 1 1 1 1 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440.3355@13.136974 1 1 1 1 1 1 1 1 1 1 1 1 1616 1 1 1 1 1 1 1 1 1872 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4021 1984 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3840 1 1 781.9017@13.657412 1 1 1 1 1 1 1 1 11861 1 1 1 1 1 1 15276 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19902 1 1 1 9927 1 79997 1 55473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 32850 745.5948@13.007548 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2773 1 1 1 1 1 3031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 859.5992@12.894015 1 1 1 1 1 1 1 1555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1349 1 1521 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1526 1 1 1 1 1 1 1 817.0552@13.439139 1 1 1 1 1 1 2159 1 1 1 1 1 1 2615 1 1 1 1 1 1 1 2248 1 1 1 1 1 1 1 1 1 5431 1 1 1 1 1 11448 1 2235 1 6713 1 3475 1 1 1 1 1 17310 1 1 1 2896 1 C27 H51 N O S 5371 11396 28914 4646 1 6410 11411 1 16412 2887 12350 3898 12221 6768 4016 6101 1796 1955 13591 5554 12294 4947 16059 1 13801 1 1916 2718 15434 1 12474 5916 13987 4657 8535 16947 1 3907 1163 1251 17972 3999 13287 1 10322 2621 6225 4259 12388 3290 8213 1 10729 1099 2863 GPEtnNMe(18:1(9Z)/18:1(9Z))[U] 1 71725 11802 1 1 382093 167254 1 1 1 151479 1 49889 27063 84111 1 1 1 37164 1 117483 1 136213 1 120575 406868 19691 1 160860 1 8255 1 146456 26226 6646 1 79380 134373 1 1 125578 1 116239 1 1 18425 8264 1 1 119718 1 1 1 51700 1 763.5524@13.1563425 34638 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13217 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4575 21127 1 1 1 1 1 1 1 1 1 1 1 790.5704@13.236008 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5160 1 1 1 1 1 1 1 1 1 1 12223 1 1 1 1 1 3475 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 25118 771.6018@13.547345 1 170019 1 1 1 1 1 1 151074 1 1 1 159822 1 1 1 148197 1 125684 1 1 1 1 1 1 1 1354 1 1 1 1 16232 1 1 1 1 1 69295 70106 47465 1 1 1 1 148325 1037 1 1 151149 1 78669 1 158439 1 1 777.5285@13.177978 1 1 1 40345 1 22450 1477 15505 1 56960 1 41192 1 1 1 1 1 26871 1 24365 1 10162 1692 1 1 1 1 58379 1 1 1 77511 1 1 1 25024 1 1 1 15958 1 40320 1 48244 1 1 6623 59487 1 1 1 59436 1 1 1 710.531@13.022633 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1082 1 10110 1 2228 1 1 1 18194 1 2855 1 1 1 1 1 1 1 1 1 1663 1 1 1 1 1 1 1 1 1 1 1 1 1 900.5661@12.8654785 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1176 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.5573@13.5207815 2554 1 1 2484 94066 1 1 1779 1 2446 1 1 1 40496 36245 1 13443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39854 1 1 1 1 1 1 1 1 1 1 1 43912 81896 1 1 59317 70575 1 1 1 39517 421.3359@13.232087 1 1 1 1959 3734 2979 1 2331 1 1 1 1 1 1798 1701 1 1 1 3430 1 1 1516 3086 1 2580 3141 3873 1935 1 3767 5853 1 4798 1 1 1 1 1 1 1 3473 1 3797 3457 1 1 1 6815 1560 1 1 1 1 1 1 461.3491@13.144768 1 1 1 1 1 2564 5297 1 1 1 2264 2364 1 10377 1 1 1739 1821 1058 1 1 1 1 1 2339 4663 1 1 1 2118 1 1 1 1 1 4292 2525 1 1 1142 1 1 1 5542 8954 1 1 1808 1 3179 1 1 1 1845 1445 869.5169@13.230427 1 1 1 1 1 1 1 1166 1 1 1 1795 1 1 1 1 1 10538 1 3567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2725 1 2937 1 18293 1 4782 1 1 1 1 1 5241 1 14862 1 1 1 1 1 534.3883@13.160936 1 1 1 1397 1 12575 1 1 1 1 1 2700 1 1 1 1744 1 1 1 1 1 1 1 1320 1 1 1 3929 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2816 1 1 1 1 1 1 1 1 1 1 1 427.3171@13.155778 1754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3900 1 1259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 255.2544@13.316982 1 1 1 1 1 4750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3886 1 2095 1 1 1 1 1 3124 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355.3088@13.144286 7608 1 1 4225 1 7056 1 1 1 3914 1 8365 1 1 1 8174 1 8420 1 10004 1 7340 1 7678 1 9612 1 8244 1 8531 1 3471 1 1 1 7663 1 1 1 9216 1 1 1 8849 1 1 1 9647 1 1 1 7765 1 1 1 413.3571@13.212657 6564 1 1 6420 1 5116 1 1 1 1 1 1441 1 1 1 1 1 7480 1 1 1 4595 1 1 1 1 1 1 1 1 1 4809 1 1 1 1 1 1 1 1 1 3536 1 1 1 1 1 1 1 1 1 4750 1 1 1 867.6445@13.556629 1 1 1 4238 1 3386 1 3932 1 1 1 9233 1 1 1 1 1 1 1 1 1 1 1 19352 1 9047 1 1 1 1 1 5602 1 1 1 1 1 24075 1 1 1 1 1 2466 1648 1 1 1 1 1 94594 1 1 1 1 819.0736@13.265417 1984 1 1 4336 1 1769 1 1 1 1 1 1 1 1 1 2975 1 1 1 1557 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1939 1 1 1 1 1 1 1 1322 1 1 1 2931 1 1 1 600.5046@12.961234 1 1 1 1991 1 1 1 1 1 1 1 1 1 1 1 1166 1 1 1 2382 1 1 1 1 1 1 1 1 1 1 1 1188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 899.5612@13.2184925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3661 1 1 1 1 1 1 1 1 1 2251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 490.3636@13.156445 2191 1 1 2346 1 3240 2982 1 1 1 1 1750 1 1 1 1 1 2202 1 1 5637 1 1 3409 13973 2638 5638 1 1 4000 2944 1 1 9518 1 9636 9656 17085 1 1 1 1 1 5373 1 1 1 1 1 1 15549 1 1 1 1 C21 H45 N 5456 1 9328 1 16565 5044 6679 5601 1 4644 19016 5399 18795 11420 11101 2941 14621 4174 4783 4002 1 2564 18334 1 20080 6725 1 4494 18667 3888 20728 5146 1 9020 8910 5731 19890 9145 9187 4220 1 5873 19946 7482 16469 9750 1 6555 18651 7544 11326 6691 17344 7570 1 839.6124@13.230746 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14975 1 1 1 6355 1 1 1 1 1 1 1 1 1 35211 1 1 1 1 1 845.5355@13.200925 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2290 1 1 1 1 1 1 1 1 10433 1 1 1 5159 1 1 857.5875@13.133014 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5055 1 1 1 1 1 1 1 1 1 1 1 2629 1 11359 1 1 1 1 1679 1 1 1 1 1 1 1 1 1 1 641.4992@13.245569 1 1 1 1 1 1 4199 1 1 1 1 2249 1 1 1 1 5275 1 1 1 1 1 1 1 1 1 1 1 1 2042 7245 1 1 1 1 1 1 1 2132 1 1 1 1 1 1 1 1 1 2861 1 1 1 1 1 1 178.0643@13.187527 1 1 1 1 1 1 1 1 1 5420 1 1 1 1 5815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6596 1 1 1 1 5664 1 1 1 1 1 3345 5363 1 1 1 1 1 1 1 1 1 1 1 1 1 823.5853@13.041601 1 1 1 1 4445 1 1 1 1 5405 1 1 1 2926 1 1 1 1 1 1 1 1 1 1 1 2251 1 1 1 1 1 3218 1153 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 440.3373@13.105535 1 1 1 1 1 1 1 1 1 1 1 2711 1 1 1 1 1 1 1 1637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3159 1 1 3380 1 1 1 1 1 1 1 1 1 1 1 3356 2390 1436 1545 763.5493@13.2443695 1 1608 1 1 1 1 1 1 1 1 1 29237 1 1 1 1 1 1 1 1 1 20120 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4716 1 1 1 1 1 1 1 17978 1 1 1 1 1 1 1 1alpha-hydroxy-21-nor-20-oxavitamin D3 / 1alpha-hydroxy-21-nor-20-oxacholecalciferol 8111 1 3129 9086 1 7350 1 11163 1 9278 1 9097 1 6760 4451 8332 2621 11017 2317 7556 1 6960 1 8445 2567 7818 2332 6925 1 7554 2639 8229 1 2785 6859 7331 1 1 1 9060 1 8144 3055 8448 1 5461 1 7257 1 9344 1 8491 1979 1 1 332.2428@13.205575 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2163 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 791.5683@13.293267 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10144 1 1 1 1 1 1 1 1 C13 H32 N6 O + 13.265551 1 1 4027 4252 4987 1 2070 7592 1 1 4211 6798 1 3745 1 5086 2968 7357 1 1 4137 5018 3582 4365 3715 5779 2841 5101 3300 6594 4730 5832 1 1 7285 1 1 4343 1 1 1 4133 1 5262 1 3619 3666 1 1 7456 15787 6672 4211 1 3228 8-hydroxy-17-octadecene-10,12-diynoic acid 1 4817 6632 5355 4551 4577 2603 3149 1 1 3923 3847 1 3624 6789 1 4583 3138 2941 1 5090 1 7347 1 1 4791 4405 4910 4107 3822 7927 5749 5518 1 1 2984 5267 2881 5629 3244 3320 4590 4978 5160 2755 1 1 3273 6976 5545 6582 3397 6250 1 1 755.5467@13.210332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 530.2684@13.222045 2159 1 1 1 1 1 1 6188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7899 1 4138 1 1 1 1 1 1 1 1 1 1 1 1 1 2770 1 1 1 1 1 1 1 1 1 1 1 1 1 6alpha-Hydroxycastasterone 3572 1 1 6465 1 4114 4870 1 1 1 1 9718 9708 1 1 4449 1 4265 5963 5027 7585 3062 1 9408 6164 3118 6581 3752 6118 8870 1 4634 6526 1 1 5446 15406 1 1 2602 1 2053 1 14129 8721 5641 8473 5241 4379 1 1 4016 5519 3520 3181 947.7105@13.2812 41719 194166 90419 43012 188769 1 88889 44655 184031 39295 184372 38628 196852 83964 109052 39579 111828 41006 1 38975 199839 25266 205425 39610 203387 41075 205264 40054 196859 40711 207983 19941 201189 95266 94440 40452 198707 98229 88789 39875 206936 39778 200672 35273 225245 96257 87779 41507 232406 97452 123551 40871 189546 92068 91162 547.2933@13.210839 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5005 1 3703 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3163 1 1 1 1 1 1 1 1 1 1 1 657.5007@13.193848 6306 1 1 4756 1 1 1 5657 1 4994 1 1 1 1 1 5264 1 5218 1 7280 1 4939 1 7196 1 7859 1 1 1 6516 1 6401 1 1 1 4442 1 1 1 6170 1 6310 1 1 1 1 1 1 1 1 1 1 1 1 1 811.3887@13.200759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 588.3219@13.21965 1 1 1 1 1 1 1 2272 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 637.5481@13.492259 1 1 1 1 1 1391 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1228 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 636.9649@13.439183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1356 1 1 1 1 1 1 1 726.2638@13.235422 1 1 1 1 1 1 1 1 1 1 1 1 1 2086 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2900 1 1 1 1 1 1 1 1 1 1 1 600.4978@13.376454 1 1 1 5168 1 1247 1 1 1 1 1 1 1 1 1 3123 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1926 1 1 1 1 1 1 1 2551 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 985.5557@13.240434 6088 1 1 4742 1 5038 1 5745 1 4666 1 5476 1 1 1 1310 1 6026 1 5564 1 6221 1 5779 1 6448 1 5942 1 6802 1 5560 1 1 1 4572 1 1 1 6437 1 5745 1 8821 1 1 1 7011 1 1 1 8395 1 1 1 778.3227@13.227749 10175 7247 1900 10237 2881 12174 6474 10933 3108 1 8843 12619 8366 9385 1 8024 6463 8755 3405 11489 11789 10038 9026 1 8756 12742 9077 10372 11439 10125 4569 1 10485 1 1 11606 5424 2623 2685 9990 10541 10921 5662 12918 8484 12522 10969 10470 6395 1 1 13378 11691 3192 2612 667.3421@13.227332 1238 1 1 1 1 1 1 1 1 1 1 1 1 1893 1 1084 1 1 1 1 1 1 1 1 1 1902 1 1066 1 1180 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3108 3814 1 1 1 1 1 3032 1 1 995.6107@13.172775 11274 1 1 1 1 1 1 10378 1 1 1 1 1 1 1 10295 1 9066 1 11572 1 10727 1 8796 5155 12119 1 11914 1 1 1 9787 1 1 1 1 1 1 1 9240 1 1212 1 1 1 1 1 13260 1 1 1 13994 1 2302 1 C36 H50 N6 O6 S 304209 45567 25738 299120 18405 281705 35225 320112 18526 268119 53011 287720 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5092 1 1 1 1 4700 1 1 1 7360 1 9808 4357 1 1 5763 1 5514 1 14511 1 8478 1 9242 2145 10242 1 10901 1756 3906 1207 11263 1 1 1141 11774 1 1 1597 14108 1 6210 2718 8864 6594 7312 2703 4877 1 1 2713 13172 1 1 957.5463@13.238387 1 1 1 1 1 1081 1 1754 1 1 1 1 1 1 1 1 1 1 1 1 1 1159 1 1 1 1 1 1 1 1991 1 1098 1 1 1 1 1 1 1 1 1 1 1 2075 1 1 1 1 1 1 1 1909 1 1 1 526.3987@13.345853 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1549 17479 23957 124329 1119 1 1 1 1 1 1 16404 1 1 1 2733 1 1 1 1 1 1 1 4072 1176 1 1 1 1 1 1 1 1173 1 1 1 1 1 2227 1 973.6296@13.240719 5445 1 1 6082 1 7515 1 5847 1 6013 1 6537 1 1 1 5974 1 6971 1 6649 1 6895 1 6684 1 8336 1 5406 1 5106 1 5655 1 1 1 7006 1 1 1 6175 1 6226 1 12471 1 1 1 8296 1 1 1 9417 1 1 1 756.3411@13.226447 57553 34644 7763 57269 16562 68150 32408 50185 13812 49839 42759 54818 62260 38575 1879 48289 35723 58922 34566 57930 78535 51295 45135 54325 51844 58463 57752 53172 68997 50468 26068 66224 65529 4253 4617 57886 60345 8062 8245 54271 84451 54803 38800 97425 61089 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1 1 1 1 1971 1 1 1 1 1 1777 1 1 1 1 1 3565 1 1 1 1 1 1 1 1060 1 1 1 1 1 1 1 1 1 1 1 1 1 12585 1 636.4555@13.617941 1 1 1 1 1 1595 1 1 1 1 1 1355 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15631 1 1 1 1 1 1 1 1 1 11601 1 1 1 1 1 1 1 1 940.5407@13.547526 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1421 1 1 1 1 1 1 1 1966 1 1 1 1 1 1 1 743.5731@13.486191 1 1 1 1 1 1 1 1 1 1 1 1 1 1 98067 1 1 1 1 1 1 22626 1 1 1 1 8691 1 1 1 1 4053 1 1 1 1 1 1 1 3145 1 1 1 1 1 1 1 1 1 1 358499 1 1 7142 1 653.3239@13.362517 33645 1 1 1 1 1 1550 1 1 1 1 1 1 1 1 1 2074 1 345362 1 1 18083 1 1 1 1 1 1 1 1 1 32368 1 1 1 1 1 1 1 18697 1 1 1 1 1 1 1 32023 1 1 1 1 1 1 1 498.3975@13.430751 1 1 1 1 1 1 1 1 1 1 1 2784 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2383 1 1 1 1 1 1 1 4011 1 1 1 1 1 1 1 1499 1 1 1 764.5501@13.421 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 286.2298@13.415417 1 1 1 1 1 1 1 1 1 1 1 2910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5012 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C20 H28 12234 1 1 19781 5800 33482 10580 25504 6386 31071 11852 27594 13990 1 1 14832 1 13697 8763 16585 13797 11815 7651 16072 8516 40264 10249 16138 10399 34735 4114 13279 7996 1 1 23506 11225 8070 7763 21924 17171 44370 13149 35876 10301 9513 8768 20893 6557 1 1 20369 17055 9941 10242 C13 H32 N6 O + 13.422483 5718 1 1 5475 1 5160 2484 6025 1 4940 1 5613 3448 1 1 6481 1 6232 1 4883 1 6035 3626 6396 1 1 3736 6717 1 5502 4412 5112 4337 1 1 4131 1 1 2886 5920 1 4788 4277 6050 1 1 1 6399 1 1 1 6595 2875 1 1 C13 H35 N7 O 6233 1 1 8902 1 5688 1 6351 4822 7706 4697 7310 1 1 1 6239 1 6507 5915 5272 6032 5991 1 1 4668 7663 1 7771 1 5961 1 6145 6555 1 1 7621 4796 1 1 5773 5992 5591 1 6597 1 1 1 6653 3809 3548 1 7905 1 1 1 C28 H51 Cl N8 2911 6182 1 1 8936 1 5240 3511 1 3042 1 1 5974 2865 1 4406 6332 1299 7933 1312 11265 1 9808 14398 1 1434 2440 1 1 1 1 1 7777 1 1 13200 1 1 1 1 1 1 1 2761 8147 20849 1 2244 1 1 1 2059 6370 2921 8401 699.3026@13.465236 1 1 1 5794 1 8161 1 1 15836 1 1 5653 1 1 1 1 1 1 1 1 1 1 1 1 1 1514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8564 1 1 1 1 1 1 1 1 1 1 1 787.6087@13.448437 1 1 1 1 1 1 1 1 1 1 1 1 1 1 75096 1 1 1 1 1 1 117975 1 1 1 1 3506 1 1 1 17104 17546 1 32496 1 1 1 39749 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.4225@13.504897 3022 1 1 5379 1 3228 1 1 1 1 1 7954 1 1 1 4669 1 3190 1 2677 1 1491 1 5251 1 1 1 4205 1 7496 1 2976 1 1 1 9822 1 1 1 1 1 2623 1 8456 1 1 7975 6075 1 1 1 2366 1 4940 4801 883.5926@13.351761 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10497 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 347.2834@13.430764 1 1 1 6546 1 12315 1 1 1 1 1 9775 7203 1 1 1 1 4939 1 5155 1 4806 1 8655 1 1 1 1 1 1 1 9024 1 1 1 7313 1 1 1 1 1 7327 1 7293 1 1 1 11983 3935 1 1 1 1 1 1 741.5645@13.534899 1 1 3043 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 61107 4583 1 4073 1 1 70284 1 1 1 1 1 1 1 34555 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.4885@13.740162 1 1 1 1 1 2702 1 1152 1 1 1 1 1 1 1 4729 1300 1 1 1 1 1 1 1 1 1717 1 1 1 1 1 1 1 1 1 1228 1 1 1 1 1 1 1 4009 1 1 1 1 1 1 1 1 1 1 1 560.4045@13.468211 1 5817 1 1 1 1165 1 1 1 1 1 3200 3605 1 1 1 1 1 1 1 1 1 1 6213 5711 1 1 1 1 1 1 2595 5725 1 1 5535 11683 1 1 1 1 1 1 3388 1 1777 1 1 1 1 1 1 1 1501 1 520.4039@13.596533 1 1 1 1 6781 1 2672 1 9126 1 1 1 5796 1 1 1 1 7101 1 1 1 1 4319 1 8430 1 1 1 5154 1 1 3494 3776 1 1 1 9561 5726 7447 1 1 1 3183 1 1 12956 6418 4581 6599 1 1 1 1 1 4349 686.5339@13.449774 1436 1 1 1 1 2660 1 1 1 1 1 1814 1 1 1 1 1 3252 1 3257 1 1 1 1758 1 2952 1 1 1 1835 1 4382 1 1 1 1 1 1 15249 1 1 3382 1 1 1 1 1426 1 1232 1 1 1987 1 8171 1 988.5547@13.444047 1715 1 1 1395 1 2453 1 2448 1 2065 1 2566 1 1 1 1630 1 1531 1 1702 1 1237 1 1769 1 3812 1 1986 1 2076 1 1714 1 1 1 1849 1 1 1 1611 1 2070 1 2996 1 1 1 1966 1 1 1 2055 1 1 1 C16 H36 N2 O6 24841 13861 1 25018 1 33584 4926 33832 1 26801 1 37860 15980 16150 1 21273 12974 18147 10280 24411 25527 18234 1 27576 20591 49162 1 27899 20891 31484 1 27292 21263 1 1 33313 18623 6520 5117 27448 24686 27337 5871 45119 1 32998 32010 33953 1 1 1 28824 10177 4889 5871 767.5824@13.528955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39145 1 1 1 1 1 36893 1 1 1 1 1 1 1 1 1 1 1 1 1 6929 1 1 1 1198235 3429487 1 1 81641 1 682.5318@13.525101 1 1 1 1 6631 1841 1609 2079 4739 1378 6179 1 1 6007 1 1 5486 1 7587 1 1 1 6589 1 7962 2965 1 1566 8519 1788 3564 1 1 1 1 1874 1 2529 1331 1 1 1 1 3615 1 1 1 1 1 1 1 1 1 1 1 C16 H30 O 5790 1 1 6080 1 6663 1 7152 1 5438 1 7749 1 1 1 5239 1 4783 1 5559 2592 1 1 5540 1 8677 1 6013 1 5320 1 6235 1 1 1 7341 1 1 1 6010 1 5468 1 8050 1 1 2624 7310 1 1 1 5879 1 1 1 642.5091@13.294668 1 1 1 1 1 1 1 1 1 1 1 2409 1 14705 7456 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2470 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1653 1 658.2776@13.5287695 2480 1 1 1 1 1 1 1422 1 1 1 1 1 1 1 1 1 1 1 1 1 1123 1 1 1 1401 1 1 1 1 1 4650 1 1 1 6442 1 1 1 1756 1 1 1 4404 1 1 1 1 1 1 1 1 1 1 1 626.2164@13.645325 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C19 H33 N5 61544 60099 8865 55841 53104 64822 45078 45477 52800 52733 43785 64445 57689 56879 46803 52180 43115 62356 36320 62217 61158 58067 57893 62959 52875 31847 60029 58175 57242 59084 41614 68096 60888 43617 49617 59484 62488 1 41063 62747 50297 61854 57370 71010 36908 65631 63218 65372 33294 37215 47084 54165 50547 41376 48324 (1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid 12539 8220 11502 13964 10140 9769 2775 10293 9387 10395 9166 16710 8626 12734 10574 9503 8603 14664 4963 15110 12615 12453 10117 17772 13628 5292 13893 15102 1 13173 11266 12358 7712 9051 11895 14876 13699 10301 12090 12629 12248 13392 8728 19601 7118 11446 14314 15763 8652 9164 13584 15468 10438 9304 9123 18-oxo-nonadecanoic acid 9323 1 1 10522 1 10967 3755 12608 1 10553 3233 13545 4026 1 1 8289 1 9862 5206 9606 5287 1 4809 12386 7021 18759 4927 9780 5970 12124 1 13116 5996 1 1 12533 7840 1 1 10213 6084 10429 5240 17075 3314 31143 24186 13656 1 1 1 10387 5795 1 1 472.3111@13.446547 2018 1 1 1 1 1892 1 1 1 1 1 2158 1 1 1 1 1 1 1 1 1 1 1 1 1 3321 1 1 1 1 1 1428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1496 1 1 1 Octadecanedioic acid 34329 32903 53139 31416 30869 31475 23943 47277 33829 38018 33120 31889 26863 55221 64491 34992 29957 33529 28353 34183 31109 33691 31429 34539 32155 40981 32895 39016 33908 38932 33383 35350 33002 64437 51506 30277 25847 36364 26661 36848 29854 37289 33187 34436 11303 47048 47520 34983 11421 13804 27276 38673 19785 14600 20824 C20 H40 N2 O4 19267 4957 13990 16598 3983 19735 4377 28401 7095 20570 4562 19178 4380 15091 23307 24334 1 20999 4896 21772 4627 22341 5272 19734 1 22170 4726 26063 4135 24891 4903 20495 6676 16485 12641 16525 3451 7314 6421 22364 4267 26355 6311 19782 1 10956 12705 17892 1 2566 1 19086 2411 1 4695 9,13-dihydroxy-11-octadecenoic acid 67436 62685 51572 61108 35784 66844 38104 65598 48041 69408 41181 64013 59436 58401 47917 61048 39924 64581 36671 67213 60451 64115 58224 69913 61178 55516 55006 31918 57326 65328 56923 65167 62395 51917 49915 71732 59609 49609 41915 64521 60069 59273 57770 64905 36775 64007 63519 71825 35505 35416 43411 63602 43216 41765 46565 737.5315@13.465059 1 1 1 1 1 1 1 1 1 1540 1 1 1 1 1 1 1 3452 1 1 1 1458 1 2957 1 1724 1 1 1 1 1 1 1860 2136 1 1432 1 1 1 2905 3318 1 1 1 1 1 3333 1 1 1 1 1 1 1 1 337.3331@13.097147 1 1 1 1 1 1 29903 1 1 1 1 1 1 1 1 1 26229 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5840 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 548.4104@13.074041 1 1 1 1 1 42611 1 1 1 45800 1 1 1 1 1 1 80653 1 51721 1 1 1 1 1 1 1403 3137 1 1 1 2969 1 1 1 1 1 1 1 1 2010 1 1 1 29227 1 1 1 1 1 1 1 1 1 1 1 303.2543@13.457534 1 1 13878 1 7631 1 1 1 6702 1 7476 1 5579 12642 1 2394 4743 1 1 1 8351 3345 9340 30222 30929 1 5206 1 1 1 9255 1 1 11978 1 1 4855 1 1 1 8017 3369 7689 3776 1 12395 1 8125 1 1 1 1 1 1 1 Oleoyl amine + 13.464861 1 31043 32248 1 26530 1 19509 1 27097 1 29533 1 26640 33650 27638 10064 26953 6917 25019 1 29585 20478 39873 200664 175660 6662 31804 1 32525 1 27445 1 32661 32250 29586 20152 31749 25956 21267 1 38090 25578 37098 20808 19644 41031 37072 34323 24416 20276 23193 1 21973 19005 20634 377.3054@13.5033045 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4451 1 1 1 1 1 1 1 1 1 3251 1 1 1 1 1 1 1 4801 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 859.6425@13.53787 21395 1 3987 1 1 1 1 34708 1 34338 1 34765 1285 1 9503 34868 1 1 1 50229 1 22576 1 25477 1043 1 1 33606 1 34742 1 34072 1 1 1 30232 1 1 1 1 1 15974 1 20914 1 1 1 24332 1 1 1 24609 1 5652 1 755.5469@13.475672 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 83282 1 1 1 1 1 1 1 59793 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 694.351@13.511869 1 1 1 1 1 7022 1 1 1 1 1 4155 1 1 1 1 1 1 1 1 1 12145 1 1 1 10253 1 1 1 1 1 13991 1 1 1 11491 1 1 1 1 1 1 1 5550 1 1 1 20554 1 1 1 1 1 1 1 3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid 267542 257480 452025 268003 249521 214700 155339 434523 281076 416243 274244 237731 169914 361148 450920 395048 285603 278589 191009 278580 196233 261755 209940 217320 193517 303934 271249 386649 258263 414476 323543 312407 236966 467614 409107 210217 214722 222994 186316 374605 204077 394973 267677 158202 113765 236374 228802 287487 130119 160719 207340 289609 148853 130417 144048 486.3794@13.339564 1 1 1 1 1 2852 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2228 1 2510 1 1297 1 1 1 1 1 4131 1 1 1 1 1 1 1 5080 1 1 2579 1858 1 1 1 2297 1 1 1 C28 H40 S2 7451 30774 11377 8065 1 6353 22113 11891 1 9080 5012 8111 1 10325 10264 9082 33568 8576 26559 8569 26193 8437 25280 7768 23463 9996 1 10885 33329 9476 38037 11294 29517 10006 9833 6754 25272 7410 5530 9761 26651 11558 34125 7527 1 5319 7533 7827 1 4323 1 11677 24693 3797 3588 551.3975@13.512747 1 1 1 1 1 2048 1 1 1 1 1 2229 1 1 1 1 1 2398 1 1 1 1 1 1 1 2045 1 2081 1 1 1 1404 1 1 1 1 1 1 1 3475 1 2361 1 2624 1 1 1 1 1 1 1 2499 2685 8971 7993 1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-24 199962 40838 68586 204246 43638 158386 1 297047 22898 291047 43938 171829 40982 66610 1 282811 1 187482 1 230973 58337 194970 1 168242 1 251299 1 257841 1 281670 1 1971 1 66200 73503 167711 55627 45473 43907 266026 1 255774 1 226681 22184 55587 54472 198642 26889 33124 1 259296 26089 27782 10747 C32 H46 N2 O4 15057 1 8859 10638 1 8484 5292 18086 8794 1798 1 9814 6188 1 11219 14616 1 12038 6667 12576 1 9778 6319 7575 6049 12379 6849 13673 8295 15006 10979 13801 9058 9334 11426 9186 5928 10346 7075 13410 7203 14656 1 11630 1 7849 1 14277 5643 5746 1 13624 7624 5070 5183 2-decylenic acid 60162 48024 60192 56536 48068 62028 43776 58862 46005 60034 47384 60340 46965 51530 46333 56333 44432 57811 46718 59960 46013 55304 46270 59804 44849 64064 48038 56738 46460 56634 44887 57156 48356 50270 54328 60261 49909 44959 44794 57890 49913 58769 47621 67555 41972 53804 53435 61965 38689 44446 49121 62124 42511 39735 44092 C23 H41 N5 O2 2078458 1137024 887911 1852060 1014360 1798221 1000887 2048711 1078066 2021639 1073499 2081814 955906 965847 861654 1979445 917813 2111586 1082707 1954050 1104625 2019840 1033957 2083530 1125553 2127347 1141549 2084478 1056351 1984795 970259 2135300 1156455 882420 805098 2091025 1137662 836007 820185 2093792 1150570 2047391 774999 2171004 889212 1003899 985359 2208608 863031 767799 864485 1927468 1013116 766449 721263 419.8143@13.492 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 508.3699@13.132865 1 1 1 1 1 3949 1 1 1 1 1 2693 1 1 1 1 1 2650 1 1884 1 1724 1 1 1 1 1 1 1 4260 1 1 1 1 1 6529 6250 1 1 1 1 1 1 6494 1 1 1 2983 1 1 1 1 1588 1 1 502.3961@13.591394 1 1 1 1 1 1 1 1 1 1 1 4146 1 1 1 1775 1063 1 1 1 1 1579 1 1 2860 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1720 1 1112 1 1 1738 2800 1631 1 1 1 1 1 1 1 1 833.9392@13.578807 1 1 1 1 1 5924 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 677.4636@13.702536 1 1 15774 1 1 3123 1 1 1 1 1 1 5831 3097 1 1 1 1 1 1 1 1 1 1 1 7035 2918 1 1 1 1 1 1 6509 5073 1 1 1 1 1 1 1 1 1 1 91558 90298 7365 1 1 1 1 1 1 1 C18 H47 Cl N10 O 1 1 1 5028 1 8154 2825 1 1 4631 1 7159 7682 1 1 5482 2977 4739 3581 5105 7579 1 2409 6112 4793 1 1 2599 3377 7067 1 2894 3797 1 1 6225 5817 1 1 3827 1 2560 1 7736 2931 8247 6600 6155 1977 1 1 4437 5011 2866 3526 717.5634@13.345991 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1829 1 1 1 1 1 1 1 2883 1 1 1 1 1 1333 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 476.3452@13.477442 1 1 1 5786 1 8276 1 1 1 1 1 7116 1 1 1 1 1 4697 1 1 1 1 1 6625 1193 1 1 3264 1 1 1 4101 1 1 1 6074 1 1 1 4758 1 2873 1 1 1 1 1 1 1 1 1 1 1 1 1 902.6876@13.507 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 862.6194@13.522641 1 1 1 1 1 12555 1 1 1 15976 1 1 1 1 1 1 1 1 1 14395 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11526 1 1 1 1 1 1 1 16278 1 1 1 560.4065@13.493186 1 1 1 1 1 1 1 1 1 1 1 1 5459 1 1 1 2031 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2230 1 1 1 1 1 1 1 1 1 1 1 5404 1 2749 1 1 1 1 1 1 1 1 1663 576.4656@13.681512 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2027 1 1 1 1 1 1 1 1 1 1 40696 1 1 1 1 1 1 1 1 1 1 4544 1 1 1 1 1 1 1 688.5496@13.479618 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4944 1 1 1 3113 1 1 1 1 1 7863 1 1 1 1 1 1 1 8112 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 741.5672@13.903927 1 1 1094 1 5149 1 1 1 1 1 1 1 1 1 1129 1 1 1 1 1 4276 104102 1 1 8654 36717 2274 121678 3214 1 12334 65451 1 1 1 1 1 1 1 11508 1 1 1 1 1 1 1 1 1 319719 2060963 1 1 106192 1 899.6572@13.663839 1 1 1 1 1 1 1 1 1 1042 1 1 1 1 1 1 1 1 1 1071 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 781.5647@13.530956 1 1 1 1 1 1 1 1 1 1 1 8204517 1 1 1 1 1 1 1 1 161964 1 1 1 1 1 16035 1 1 1 1 7535765 1 1 1 1 1 1 1 167051 1 1 1 1 1 29770 1 1 1 26934706 37776516 1 1 2696855 1 488.3486@13.456536 1 1 1 1498 1 2349 1 1 1 1 1 3224 1 1 1 1 1 1 1 1 1 2159 1 2582 1 1 1 1 1 5901 8916 1 1 1 1 3216 1 1 1 1 1 1 1 6252 1 4267 3315 1 1 1 1 1 1 1 1 849.6388@13.66421 1 1 1 1 1 1 1 1 1 1 1 1764 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4132 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 448.3501@13.58009 1 1 1 1 1 1 1 1 1 1 1 4750 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4974 1 4256 2632 1 1 1 1 1 1 1 1 868.6482@13.523512 1 1 1 1 1 6922 1 1 1 1 1 2773 1 1 1 1 1 1 1 1 1 1361 1 1 1 6507 1 1 1 1 1 1055 1 1 1 6256 1 4102 1 2656 1 1 1 1 2297 1 1 4618 1 1 1 1 1 1 1 C20 H44 N2 O6 47475 74222 1 34361 18680 56204 1465 67334 8724 66029 1 38659 8230 1 5079 47651 12397 44550 2218 43559 15133 36874 16549 32071 7340 54240 10940 89572 8858 68132 9220 40432 76249 1 1 29845 12528 1 1 53793 33976 41688 15824 1 1 10538 1 82569 1 1 1 60789 1 1 1 805.5587@13.399307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 236093 170255 258519 1 385192 147413 60762 1 1 67879 59385 14064 19317 1 1 1 1 1 1 1 1 1 1 1 1 330135 1 1 409466 1 451655 1 1 377483 1 883.5956@13.50595 13051 1 1 1 1 1 1 11728 1 5125 1 1 1 1 1 1 1 1 1 12541 1 1 1 1 1 1 1 7812 1 1 1 1 1 1 1 1 1 1 1 7427 1 7649 1 1 1 1 1 1 1 1 1 1 1 1 1 724.5471@13.496589 21342 1 1 1 1 16338 1 1 1 1 1 22587 1 1 1 1 1 1 1 1 1 15295 1 23160 1 18091 1 1 1 1 1 20252 1 1 1 13323 1 1 1 11828 1 1 1 1 24405 1 74167 16077 41455 77452 1 1 1 8418 1 1-eicosanoyl-rac-glycerol 37188 33493 1 32730 12735 1 1 45039 1 45610 1 34834 1 1 1 42692 1 44556 1 27642 1 31937 1 27474 1 39367 1 56118 1 47333 1 37751 34246 1 1 35049 1 1 1 38287 17901 33264 1 55603 20297 1 1 58454 1 1 1 40329 1 6552 8169 839.6166@13.493273 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29165 1 16675 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10399 1 1 1 1 1 1 8528 1 801.5401@13.679661 24381 8184 1 1 1224 90512 9974 1 1 1 104144 14786 111078 1 1 1 1 1 1 70226 3514 13290 203864 27858 14124 13422 1674 1 160516 1 7224 2312 176165 1 1 16324 236110 41951 32208 1 1 1 17836 1 6408 10333 1 14746 1 1 1 12155 1 541294 42750 722.5237@13.393249 1 3926 1 1 4037 1 1821 1 1 1 1 1 1 1 1 1 1 1 2450 1 1 1 5040 1 7050 1 1 1 1 1 1 1 1645 1 1 1 12443 1 2035 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1 36449 1 42879 2294 27753 4014 43644 4978 34501 1 1 1 46551 2161 45173 1 1 8141 1 7491 27795 5049 27280 1 56529 4340 24242 1 1 1 1 1 1 7278 10390 8246 40253 1 1 1 68777 18276 1 1 60842 1 1 1 1 5480 12113 1 833.5909@13.146879 1 1 43279 1 1 1 6853 206539 1 1 1 269225 1 32705 5431 1 6855 1 5152 1 6764 1 1 1 6932 1 1 1 1 1 7761 3543 1 1 1 1 11777 1 1 1 6705 1 1 1 1 3248 1 1 1 1 1 1 1 1 1 C19 H47 Cl N10 O 2443 1 1 1 1 3531 1 1 1 1 1 5034 4851 1375 1 1955 1 1 4735 1865 6092 2208 1 6758 6143 1373 1 1246 1 3961 1 1 1 1 1 11119 5721 1 1 1 3212 1 1 4995 2071 2208 3926 5500 1 1 1 1 1 1 1 706.5347@13.721805 1 1 1 1 1 22948 1 1 1 1 1 1 1 1 1 1 1 19851 1 23209 1 1 1 4550 1 5197 1 17709 1 1 1 38315 1 1 1 1 1 1 70834 1 1 1 1 1 1 1 13271 1 1 1 1 44345 1 5890 7523 C38 H68 Cl N3 O S 5345 1 2954 1 1 1 1 4462 1 4323 1 4199 2081 1549 4353 5711 1 4669 2597 4293 1 4353 1 1 1 4602 1 5389 1 5230 1 1 3125 2661 1 4281 1 3157 2930 1 1 5247 1 5239 1 2388 1668 5328 1 1863 1 3963 1 1772 1 540.3923@13.652971 1 1 1 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1 1 1 1 627.4935@13.212015 1 7967 4467 1 26809 1 25143 1 33743 1 28434 1 28737 28905 21293 1 2737 1 5437 1 1 1 4645 1 15713 1 29487 1 1793 1 7201 1 4143 11238 43983 1 9034 1 1 1 1 1 12110 1 1 1 1 1 1 1 48713 1 1 1 1 642.5152@13.630965 1 1 1 1 1 1 1 3428 1 3639 1 1 1 1 1 1 1 1 1 1 1 2663 1 1 1 1 1 1 1 1 1 2011 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11-deoxy-PGE2 11100 1 1 5816 4707 6902 1 1 1 1 1 7897 4607 1 1 9734 5151 1 5265 9109 1 7014 3252 4956 5916 1 7174 1 3759 1 1 8642 1 1 1 4065 3394 1 1 8452 5256 9673 7975 8650 1 10046 1 9205 1 1 1 11043 1 1 1 424.2798@13.675839 17666 1 1 1 1 51865 7461 31305 1 1 1 19592 1 1 1 84826 1 45620 1 1 1 1 9115 60453 1 41143 11005 27241 1 1 1 2857 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 120.0436@13.756344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 764.5505@13.579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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1 16763 1 1 1 1 1 1 1 15155 1 1 1 1 1 6498 1 1 1 22084 1 13484 1 1 1 15034 1 1 1 1 1 1 1 13507 1 1 1 18837 1 1 1 1 1 1 1 1 1 1 1 314.2502@13.619758 1 1 1 6532 24352 1 1 4934 1 1 1 1 1 5091 1 1 1 1 8784 1 1 4792 1 4032 1 7113 1 5831 1 1 1 3090 1 1 1 1 1793 1 1 6034 1 1 1 3486 1 1 1 1 1 1 1 1 1 1 1 465.3813@13.775952 1 1 1 1 1 1 1 1 1 1 1 6915 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3140 1 1 1 1 1 1 1 1 1 1 1 1 1 4369 1 1 1 1 1 1 1 1 1 1 1 590.4528@13.631282 1 1 2136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3010 1 1 1 1 1 1519 1 1100 1 1 1 3081 2671 1 1 1 1 1 1 1 1 1405 1 1 1 1 1 1545 1 1 1 1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol 3995 2521 1 3607 1 6299 1 4695 1 4345 1 4759 1 1 1 1 1 1 1 1 6044 2561 1 3881 4887 9858 1 2945 2411 1 1 3962 5164 1 1 4971 3222 1 1 3928 3454 4092 1 1 1 1 1 1 1 1 1 3552 1 2671 1 1-hexadecanoyl-sn-glycerol 435050 225399 40712 496459 162779 608310 161461 614650 156609 471765 174744 574217 268191 140549 1 372889 155906 345514 236442 397715 296680 330789 160092 461502 235992 796872 173291 471248 203377 512087 83106 502315 268615 23175 24523 617254 246542 155622 144060 433721 261359 453699 158135 743006 126775 335410 314872 536259 142378 12742 1 453870 229031 179424 174972 C32 H71 N13 O S 19302 5181 1 25840 1 39368 1 38739 1 25924 3213 34763 5617 1 1 17819 1 15729 5779 18913 8160 14530 1 26641 5504 60295 1 27421 4610 31639 1 28172 5762 1 1 36615 6026 1 1 23790 6669 23989 1 49514 1 14425 6894 29652 1 1 1 22806 4333 1 1 3-Oxochola-1,4,6-trien-24-oic Acid 7489 41830 1 9221 29211 1 9015 13713 18189 10523 25817 1 25580 12059 1 1 26388 1 30606 9329 39582 1 30384 10433 40548 17885 31588 14130 38309 11856 21931 11957 44583 1 1 9102 35212 1 1 10335 39532 10985 33878 12226 1 21964 1 1 1 1 1 1 10762 1 1 668.5426@13.643722 1 1 1 1249 1 1 1 1303 1 1183 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1784 1 1 1 1 1 1 1 2296 1 1 1 1 1 1 1 1 1 1 1 636.2969@13.593238 3805 1 1 1 1 11736 1 6546 1 1 1 14039 1 1 1 3234 1 9653 1 1 1 5151 1 5020 1 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11949 1 14664 1 15831 1 12871 1 12365 5840 1 1 10425 1 8663 1 9783 10682 8946 1 11826 1 21394 12897 13665 1 13884 1 12841 8941 1 1 12324 9653 1 1 10800 1 10823 1 17151 1 16538 6789 11166 1 1 1 10108 2864 1 1 2-propyl-tridecanoic acid 5012 2809 1 5717 1 6962 1 6536 1 5900 1 6087 1 1 1 4446 1 4783 2432 5098 1 4008 1 5259 1 8523 1 5791 1 5675 1 5744 1 1 1 6853 1 2540 1 5369 1 5485 1 8672 2047 5319 4479 6781 1 1 1 5729 1 1 1 C19 H41 N O4 277378 166027 25235 320400 123502 404113 124711 383261 112796 289021 131000 373654 197578 99255 7603 232141 119764 221061 157599 258844 230724 211291 125006 305879 177155 540350 131631 304478 155176 337385 62661 324026 199235 16685 14956 408799 172230 113070 109332 275581 206057 296169 119757 458509 98011 268368 231314 334594 109983 7257 16187 282338 167840 134063 133556 18-oxo-nonadecanoic acid + 13.657046 32047 21117 1 35146 13818 39468 12508 39796 13183 32218 16219 40120 19850 11700 1 25618 13609 24449 20786 29092 22035 23982 14323 33662 20103 54785 14667 31606 17279 34203 9429 35163 21786 1 1 41253 19930 12387 12756 29446 19976 29951 14737 50141 10550 8165 5961 40604 13690 1 1 31917 17163 13508 14574 cis-11-Hexadecenal 48312 24604 1 54305 18053 62399 18256 65539 16989 50618 19053 59037 29584 18128 1 40561 17384 38007 19574 41312 32441 35996 18488 47488 26687 84273 20020 51054 22464 53823 9515 51505 29642 1 1 66816 29394 17917 18543 46321 30479 49272 17738 82253 14007 43031 34747 59855 16663 1 1 50711 24652 21911 20861 520.4111@13.627138 1 1 1 10535 1 1 1 1 1 1 1 13362 1 1 1 1 1 1 1 1 1 1 1 14748 1 1081 1 9601 1 1 1 7186 1 1 1 16362 1 1 1 1 1 1 1 1 11998 1 1 1 1 1 1 1 1 1 1 373.2992@13.581122 4685 1 1 4175 1 6514 1 1 1 1 1 8082 1 3565 1 3808 1 3973 1 3445 1 4436 1 3227 1 4992 1 4244 1 1 1 4043 1 1 1 1 1 1 1 1 1 5233 1 5307 1 1 3424 4591 1 1 1 1 1 1000 1 771.5832@13.81637 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 71582 1 1 1 1 21886 8196 1 1 1 1 1 1 1 18969 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrovitamin D3 / (17Z)-1alpha,25-d 1 7976 1 1 1 61493 1 17206 7894 19698 1 1 1 172052 1 3485 1 68967 91153 15856 21617 37910 56757 21846 28164 5348 16229 128080 271050 122033 17681 69765 149736 1 1 132947 90240 1 1 1 1 1 1 79005 1 7602 1 48247 1 1 1 25563 1 9102 9731 518.3953@13.6446495 1 1 1 1 1 4405 1 1 1 1 1 1 1 1 1 1 1 4221 1 1 1 3561 1 7074 1 1 1 1 1 1 1 5389 1 1 1 3563 1 1 1 7931 1 1 1 12266 1 1 1 1 1 1 1 1 1 1 1 514.3748@13.636161 1 1 1 1 1 13785 1 1 1 6967 1 1 1 22874 1 1 1 17725 1 1 1 12076 5702 7494 1 2619 1 33220 18625 27949 1 17399 7740 1 1 22783 1 1 1 1 1 1 1 12557 1 1 1 10660 1 1 1 6903 1828 1 1660 478.3056@13.648177 1 1 1 1 1 11929 1 3605 1 5087 1 1 1 44995 1 1 1 15686 16797 3829 3761 9068 14970 6100 7183 1 1 27284 53447 24996 1 14418 33247 1 1 23487 18636 1 1 1 1 1 1 14177 1 1 1 8858 1 1 1 4824 1 1 1 755.5471@13.613671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 118808 1 1 1 5402 1 1 1 1 1 1 45565 1 1 1 1 1 155442 1 18999 1 1 1 1 1 1 1 1 1 605091 1 1 1 1 1 560.4073@13.778358 1 10373 1 3397 1 1 1 1 1 3228 1 4210 1772 1 1 1 12502 1 1 1349 1 1 11040 1 5631 1 11091 1 5403 1 1 4238 1 1 1 1 1840 1 1 1 1 4827 8716 1 1 1 5093 16150 1 1 1 11657 1 2086 12812 540.3886@13.625355 1 1 1 1 1 1 1 1 1 1 1 1 2727 1 1 1 1 1 1 1912 1 1 1 5319 5048 1 1 1 1 4985 1 1 1 1 1 4466 6864 1 1 1 8486 1 1 1 1 2277 4707 4669 1 1 1 1 1 1 1 500.3839@13.613933 1202 1 1 1 1 1 1 1 1 1122 1 2470 1 3191 1 3029 1 1 1 1567 1 1 1 2604 1 1 1 1 1 4113 1 1 1 1 1 4658 1 1 1 1 1 1 5811 1317 3737 1 7079 1 1 1 1 1 1 3121 1 745.5739@13.549774 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26651 1 1 1 1 1 5017 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 105134 1 592.583@13.77435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1562 1 1 1 1 1 1 1 1 1 1 1132 1 1 1 1 1 1 1 1 1 1 1 1 1471 1 1 1 1 1 1 1 1 1 1 120264 1 1 1 1 434.2905@13.703164 1 1 1 3133 1 1 1 1 1 1 1 1 1 1 8016 1 1 1 1 1 1 1 1550 1 1 1 1 1 1 1 1 1 1 6935 1 1 1 1 1 4008 1 1 1 2996 1 1 1 1 1 1 1 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1 1 1 1 1 1 1 1 1 1 21247 1 1 23571 1 189899 1 1 1 181665 78952 1 104853 23574 12999 1 3546 1 1 8409 4722 1 1 1 1 83920 1 34220 2231 1 1 1 1 1 1 1 125443 1 763256 1 1 77624 1 736.5437@13.51919 1 1 1 1 1 2162 1 1 1 1 1 1 1 1 1 1038 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2005 1 1 1 1 1 1 1 1 1 1 1 1 C28 H49 N O4 + 13.668374 3416 1 1 20344 1 25310 1 6893 1 8989 1 5095 18947 1 1 10364 1 16309 1 22938 3006 2609 1 22007 1 11562 1 3418 1 38838 1 12162 1 1 1 64079 1 1 1 4163 1 8140 1 57356 20700 1 1 22723 1 1 1 18556 1 1 11618 520.4091@13.712899 4574 1 1 10106 1 8711 3940 1 1 1 1 1 1 30208 1 1 1 1 1 4936 1 3415 1 11065 12175 1 1 1 1 11804 1 1708 1 1 1 31728 33265 1 1 1 1 1 1 1 1 1 8570 4641 1 1 1 1 1 7588 1 803.5478@13.731384 1 1 1 1 6938 1 709455 824327 1 1 1 1 92096 1 1 1 1 1 1 1 1 1 9512 1 1 89021 56058 1 1 1 1 14656 69746 1 1 1 1 1 744741 1 410582 1 1 1 1 1968878 1 233413 1 1 1 1 1 380897 1 549.62@13.696305 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2161 1 1 1 1 7336 1 1 1 1 1 1 1 1 1687 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 859.6098@13.772741 1 1 1 52452 1 1 1 12254 1 1 1 2825 1 1 2033 5367 1 1 1 1 1 2771 1 1 1 2591 1 19663 1 1 1 3679 1 1 1 1730 1 1 1 3308 1 1 1 16471 1 1 1 1 1 1 1 1 1 1127 1 841.6128@13.586314 1 1 1 1 1 1 1 1 1 6549 1 1 1 1 1 1 1688 1 1 1 1 3904 1 1 1 5782 1 7480 1 1 1 1846 1 1 1 1 1 2334 1 4587 1 1 1 1 1 1 1 3729 1 1 1 1 1 1 1 297.2679@13.551755 1 1 1 1 125143 1 6562 1 1 1 1 1 1 1 1 1 1 1 10180 1 264144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 694.3512@13.852051 5619 1 1 1 1 9132 1 1 1 1 1 10433 1 1 1 1 1 1 1 6188 1 4641 1 16298 1 15787 1 1 1 1 1 4726 1 1 1 10838 1 1 1 3702 1 14558 1 1 1 1 1 4320 1 1 1 1 1 1 1 C24 Sulfatide 1 1 1 1 10368 4512 6300 3751 11192 1 11485 2094 11376 1 1625 1 10917 1 22774 1 13949 8375 1 1 1 1802 12536 1 13589 1 11318 2979 12952 1 6577 3659 13031 1 1 2898 18431 1 1 1 12064 1 1 1 1 1 1 1 7819 1 1 835.1147@13.71 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 249.1694@13.737218 6409 1 1 10491 1 10303 1 12565 1 10183 1 7756 1 5885 1 15725 1 8879 1 9126 1 9691 1 13685 1 14028 1 11002 1 13472 1 11320 1 1 1 1 1 2705 1 11466 1 17857 1 1 1 1 1 9360 1 1 1 8253 1 1 1 498.3912@13.536126 1 1 1 1 1 1 1 1 1 1 1 2250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1299 1 1 1 1 1 1 1 1 1 1 1 220.167@13.718804 14665 1 1 1 1 15949 1 12736 1 13453 1 14084 1 5804 1 10185 1 1 1 9494 1 14796 1 13477 1 15630 1 12437 1 13937 1 19294 1 1 1 9453 1 1 1 1 1 15114 1 23679 1 6239 1 10857 1 1 1 8898 1 1 1 C24 H41 N O4 230680 17855 22541 357302 11961 425012 1 526176 26317 498357 1 331846 9977 121497 1 483025 12421 386099 12751 332386 32112 417142 32323 513793 16348 541101 25581 552904 31428 582122 9640 5062 37900 21434 12495 370342 25609 61161 41866 2196 28143 414713 12452 424301 1 160441 80403 381600 4133 1 1 325638 8484 30892 35867 486.3479@13.479144 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1230 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C27 H47 N5 O4 36596 1 1 50461 1 45778 1 53054 1 48622 1 41906 1 11838 1 44836 1 45599 1 42238 1 52946 1 46245 1 47217 1 48904 1 47324 1 52323 1 1 1 49704 1 10491 8823 44023 1 43463 1 53278 1 13769 9595 50168 1 1 1 47545 1 1 6698 560.4064@13.784696 1 1 1 1 10254 1 1 1 1 1 1 1 1 9849 1 17237 1 11949 11407 1 5875 1 1 4974 7132 1 1 22317 1 1 10054 1 26268 1 1 1 65977 1 1 1 18227 3850 1 16242 16500 27465 1 1 1 1 1 1 10697 9301 1 94.0779@13.736536 1 1 1 13808 1 1 1 13858 1 5820 1 7384 1 1 1 1 1 1 1 5633 1 11709 1 8667 1 13324 1 5668 1 1 1 12502 1 1 1 6004 1 1 1 8876 1 1 1 9830 1 1 1 1 1 1 1 7189 1 1 1 C24 H49 N3 O4 205735 1 1 346098 1 361250 1 465360 1 441126 1 273441 1 41455 1 445238 1 366691 1 337555 1 468200 1 468454 1 556865 1 528769 1 553392 1 6414 1 5963 4741 302097 1 20777 14731 10545 1 387235 1 334274 1 51670 23941 309362 1 1 1 275408 1 10806 12175 C13 H23 N O2 + 13.683239 221311 10325 8837 237884 7697 273438 1 314821 21651 229727 1 284076 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1 3081 634.4488@11.56582 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.1832@11.415275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 884.5903@11.422728 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 578.6288@11.418286 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 587.4921@11.419291 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 576.8936@11.421298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C32 H48 N6 O S2 1 13331 1 1 13019 1 12675 1 14305 1 12945 1 13508 1 1 1 13894 1 10152 1 13156 1 13609 1 13812 1 13234 1 13237 1 12848 1 13257 1 1 1 13133 1 1 1 13058 1 12344 1 14743 1 1 1 14118 1 1 1 14303 1 1 C36 H52 O4 S 1 15993 1 1 14564 1 15074 1 16321 1 14519 1 16390 1 1 1 13258 1 13593 1 14834 1 13979 1 15752 1 17187 1 14786 1 14527 1 14990 1 1 1 14288 1 1 1 15238 1 15335 1 20096 1 1 1 17119 1 1 1 16701 1 1 643.5523@11.4085655 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C40 H61 N O10 1 15127 80808 1 13842 1 1 1 13931 1 15048 1 53438 69939 67591 1 14069 1 13618 1 13793 1 13814 1 13227 1 54271 1 12982 1 13992 1 13127 76250 74323 1 50347 56656 52856 1 12255 1 13152 1 16238 61411 66075 1 16497 66487 1 1 14524 37790 39056 537.3911@11.862119 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 297.3389@11.4225645 1 1 1 1 1 1 1 1 1 1 2187 1 2876 3670 1 1 2443 1 1 1 3571 1 1 1 1 1 1 1 35352 1 1 1 1 1 1 1 1 1 1 1 2673 1 2496 1 1 1 1 1 1 1 1 1 1 1 1 534.7037@11.430332 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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51419 1 10152 1 9278 1 10738 1 9721 1 10509 1 9928 1 10262 1 10647 1 9893 58971 55980 1 10492 41421 38890 1 9518 1 10174 1 11423 52052 49437 1 10868 54852 1 1 11448 29301 27799 805.542@11.45738 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 803.4817@11.464301 1 1 1 1 1 1 1 1 1 1 68825 1 79860 1 1 1 66823 1 1 1 75255 1 1 4690 1 1 77849 1 69778 1 1 1 77046 1 1 1 75768 1 1 1 60999 1 71147 1 1 2033 1 1 82882 1 1 1 80188 54763 248500 338.2448@11.466384 1 3591 1 1 3897 1 1834 1 4562 1 3812 1 1 1 1 1 1 1 3915 1 3749 1 4053 1 1 1 1 1 2962 1 3275 1 3061 1 1 1 3387 1 1 1 3024 1 2975 1 4365 1 1 1 4348 1 1 1 4167 1 1 367.4171@11.2745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1522 1 1 1 3732 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 450.3047@11.431575 1 1 1 1517 1 1 1 1 7701 1 1 1 1 1 1 1060 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1262 1 1 1 2225 1 1 1 508.2807@11.454993 1 8822 1 1 8568 1 7679 1 1 1 9414 1 1 1 1 1 8534 1 1 1 1 1 1 1 1 1 7992 1 7033 1 8431 1 8286 1 1 1 7636 1 1 1 1 1 1 1 9295 1 1 1 1 1 1 1 1 1 1 C27 H50 O2 S2 1 15747 1 1 19186 1 14303 1 17507 1 16447 1 15957 1 1 1 17460 1 16329 1 16016 1 18423 1 18319 1 19418 1 14854 1 15809 1 16124 1 1 1 15447 1 1 1 17871 1 15861 1 19546 1 1 1 22413 1 1 1 16682 1 1 C25 H36 N10 O 1 33749 1 1 31251 1 31307 1 32731 1 31904 1 31966 1 1 1 31930 1 28050 1 33917 1 30757 1 29484 1 31204 1 28997 1 29305 1 30338 1 1 1 30484 1 1 1 31160 1 30208 1 33317 1 1 1 37399 1 1 1 32862 1 1 C18 H33 N O3 4294 13664 1 3941 13636 1 10294 1 12294 1 14052 4440 11999 1 1 1 11602 3534 10853 1 11589 1 10853 4028 8151 1 9457 1 10954 4460 9395 1 10056 1 1 1 11291 1 1 4600 11072 4359 10508 1 10846 1 1 4595 11322 1 1 3835 13462 1 1 306.2531@11.605329 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1841 1 1 1 1 1 1 1 10307 1 1 1 1 1 1 1 1 1 13993 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 791.0568@11.641754 1 1 1 1 1672 1 2423 1 1 1 1308 1 1 1 1 1 1 1 1582 1 1 1 1 1 1 1 5426 1 5796 1 1 1 1 1 1 1 11642 1 1 1 4490 1 10802 1 1 1 1 1 1 1 1 1 1 1 1 527.3936@11.468751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2099 1 1 1 1 1 1 1 3770 1 1 1 1 1 1 1 1 1 1 1 1 1 1977 1 1 1 1 1 1 1 1 1 1 1 1 C18 H36 N2 O S2 1 17240 1 1 18651 1702 14625 1 18864 1 20136 1 15575 1 1 1 16693 1913 19563 2188 25365 1 27546 1 28351 2373 31441 2049 27163 1 28109 1 28678 1 1 1 27481 1 1 1892 27986 1 24512 2086 16432 1 1 1 19838 1 1 1 17019 1 1 355.2723@11.473374 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 152428 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 779.5453@11.473496 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Leupeptin 1 21977 1 1 23958 1 21235 1 25921 1 20422 1 21258 1 1 1 18832 1 20309 1 21256 1 25503 1 23453 1 23741 1 21430 1 25583 1 28472 1 1 1 21389 1 1 1 28694 1 23197 1 25152 1 1 1 22338 1 1 1 22124 1 1 226.1227@11.467771 1 9659 1 1 8628 1 8450 1 8177 1 8262 1 9306 1 1 1 9690 1 7911 1 8257 1 9132 1 9076 1 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7416 1 6736 1 7028 1 7822 1 7343 1 7281 38974 40756 1 6363 29911 27128 1 7218 1 5970 1 7007 42506 35887 1 8007 44815 1 1 8363 19796 19233 329.328@11.460546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 404.2538@11.474178 1 24751 1 1 26114 1 26609 1 25925 1 27968 1 25205 1 1 1 25096 1 1984 1 27803 1 27714 1 1 1 29124 1 28465 1 27699 1 28606 1 1 1 27783 1 1 1 28021 1 27953 1 27006 1 1 1 26783 1 1 1 26707 1 1 C22 H44 N2 O2 S3 1 7403 1 1 6661 1 6630 1 7871 1 7404 1 6572 1 1 1 6301 1 5808 1 6776 1 7370 1 6989 1 7131 1 7056 1 6946 1 7224 1 1 1 7220 1 1 1 6355 1 6264 1 6923 1 1 1 7418 1 1 1 7050 1 1 443.4981@11.478671 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C15 H18 N4 O 1 9558 1 1 10621 1 9453 1 9585 1 1 1 9411 1 1 1 10119 1 9000 1 9498 1 12247 1 10128 1 10097 1 10616 1 11126 1 8337 1 1 1 9078 1 1 1 8945 1 10447 1 10994 1 1 1 10598 1 1 1 10164 1 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C35 H53 N O2 S2 1 5403 26060 1 5492 1 5288 1 5937 1 4987 1 5033 24466 25743 1 4978 1 4344 1 4403 1 4541 1 4237 1 4951 1 5405 1 4947 1 4502 25838 29418 1 4475 18860 18568 1 4487 1 4700 1 4475 23935 25351 1 5320 1 1 1 5349 11904 11205 797.5396@11.772676 1 1 1 1 1 1 1 1 1 1 2325 1 1 1491 1 1 1 1 5111 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3346 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 514.406@11.569435 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1804 1 1 1 1 1 1 1 1 1 3510 1 1 1 1 1 1 1 1 1 1 1 1 1 1 301.2965@11.360492 1 1 1 3422 1 1 8723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10624 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2199 1 1 1 1 1 1 1 1 1 1 1 1 1 519.4118@11.720963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2625 1 1 1 1 1 2708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 842.6365@11.576612 1 1 1 1 1 1 3299 1 6592 1 1 1 1 1 1 1 2591 1 2798 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9178 1 1 1 1 1 1 1 1 1 1 335.1041@11.550462 1 1 1 1 1 1 1 1 1 1 1 1 2608 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 306.2516@11.438575 1 1 1 1 1 1 1 1 1 1337 1 1 1 1 1 1 1 1 2939 1 1 1 1 1 1 1 11710 1 1 1 1 1 16473 1 1 2597 1 4889 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6197 578.4135@11.750136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2700 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2262 1 1 1 1 1 1 1 1 1 1 621.4342@11.576328 1 1 1 1 1 1 4570 1 1 1 1 1 1 1 1 1 11764 1 1 1 1 1 1 1 1 1 1 1 1 1 2658 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3148 1 1 1 1 1 1 751.5063@11.423654 1 1 7910 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 268564 1 1 1 1 1 1 1 12384 1 1 1 1 1 1 7410 1738 1 1 1 1 1 1 1 1 1 1 2315 2925 1 1 1 1 1 1 1 1 898.5708@11.488458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1444 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1510 1 1 1 1 1 1 1 1 1 1 531.4309@11.442136 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 795.5343@11.525957 1 1 1 1 1 1 1 1 1 1 1 1 1 6451 7524 1 1 1 1 1 1 1 1 1 1 1 5943 1 1 1 1 1 1 7219 1 1 1 5030 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2671 1 1 779.544@11.529711 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 746.5271@11.609815 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6545 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 59891 1 1 1 11738 1 849.5809@11.530633 3949 15362 1 6492 17509 5909 5004 7700 8787 2737 7986 6041 20406 11566 1 6713 7511 3528 13544 5867 29819 3054 1757 7055 11394 4427 3797 5536 2332 1 6059 4045 13287 1 1 1 8964 1 1 1 18648 2212 21567 7574 14458 22387 14998 6976 9683 1 1 4769 18399 7036 1 522.7749@11.531101 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2673 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 537.6683@11.283025 1 1 1 1 1 1 1234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1651 1 1 1 1 1 1 1 1 1 1 343.3451@11.519918 1 1 1 1 1 1 1 1 1 3213 1 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C37 H57 N O6 S 1 25034 40712 1 29076 1 27561 1 28773 1 25767 1 26882 40562 42708 1 25161 1 28055 1 28943 1 27133 1 27436 1 1 1 26356 1 26719 1 35448 41620 41294 1 1 38746 39832 1 24781 1 23237 1 35498 36750 42018 1 29276 108701 105678 1 26614 57164 37625 680.4848@12.68458 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 672.5195@12.617238 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1549 1 1 1 2646 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1987 1 1 1 1 1 1 758.9359@12.692617 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 879.6921@12.683166 1 1 1 1 1 1 3024 1 3186 1 1 1 1 1 1 1 3291 1 3554 1 1742 1 1 1 2191 1 1 1 1 1 1535 1 1 1 1 1 3094 1 1 1 1448 1 2056 1 2817 1 2444 1 2839 1 1 1 1 1 1 C16 H37 N7 O + 12.680452 1 11617 7846 1 1 1 12341 1979 13676 1 11671 1 11766 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1 2565 1 1 1 1 1 2126 1 2561 1 1 1 1 1 1879 1 1 1 1 1 2102 1 1819 2714 1 1 1 1 1 1 1 1 1 C14 H28 N2 S4 1 87804 65622 1 85704 1 85191 1 89265 1 85571 1 87118 62043 61481 1 88270 1 87186 1 86936 1 87150 1 88214 1 91107 1 89222 1 90500 1 87533 65597 66109 1 86674 30012 25506 1 91498 1 88666 1 81826 63356 65251 1 78058 62748 1 1 79914 19761 19899 C19 H22 N2 S3 1 9213 13236 1 7756 1 5783 1 6279 1 7363 1 6737 1 13227 1 5585 1 1 1 6967 1 8465 1 5939 1 7149 1 8526 1 8539 1 8098 14775 12689 1 1 1 1 1 6888 1 5798 1 1 9970 8570 1 4329 10335 1 1 5979 1 1 C5 H9 N S + 12.914427 1 17151 13997 1 17979 1 16329 1 16721 1 16764 1 18135 1 11763 1 15537 1 16037 1 18002 1 16854 1 19941 1 18277 1 16127 1 18599 1 17718 13267 12972 1 17237 5197 1 1 16885 1 17697 1 16296 1 12569 1 16219 12869 1 1 16497 1 1 C9 H17 N S2 1 5473 4496 1 5960 1 5832 1 6035 1 5554 1 5825 4054 3660 1 1 1 5175 1 5213 1 5767 1 5760 1 6620 1 1 1 5724 1 5259 4914 4664 1 5566 1824 1855 1 5610 1 5935 1 5180 4334 4931 1 5156 5022 1 1 5721 1 1 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 20710 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 905.7059@12.955081 1 1 1 1 1 1 27245 1 24119 1 1 1 1 1 1 1 27902 1 36646 1 15849 1 1 1 24941 1 20454 1 1 1 20952 1 1 1 1 1 35313 1 1 1 23499 1 28833 1 28074 1 32293 1 29807 1 1 1 1 1 1 C19 H41 N3 O4 S 1 34071 21250 1 28313 1 16347 1 15937 1 27995 1 21163 18856 23853 1 11997 1 1 1 23100 1 30336 1 17293 1 24441 1 28995 1 24380 1 24060 21883 24615 1 8855 10229 8433 1 19913 1 14281 1 8745 14093 6869 1 11484 14761 18186 1 23887 7789 7156 4-Chloro-N1-methyl-N1-(4-carboxy-2-hydroxy-2-methylbutyl)-m-benzenedisulfonamide 1 85208 108180 1 83438 1 39823 1 81781 1 82595 1 81566 93663 96966 1 69660 1 44334 1 77410 1 78332 1 81728 1 85330 1 79580 1 84236 1 82192 104883 104793 1 82716 72198 67491 1 79108 1 84668 1 81572 99194 93852 1 84004 104604 100366 1 81795 54974 54720 549.6185@13.1617985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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1496 1 13338 1580 2383 1 10623 1 10190 1 1 1534 1648 1 1 1961 1 1 1 1924 1 494.5607@14.046214 1 1 1 1 1 1 4126 1 1 1 1 1 1 1 1 1 1 1 1843 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 819.548@13.58018 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 50683 1 1 1 14880 1 930.6331@14.002339 1 1 1 1 1 1 1 1 4546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3144 1 1 1 1 1 1 1 1 1 1 637.5981@14.409726 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 787.009@14.164086 1 1 1 1 1 1 1 1 1 1 4189 1 1 1 1 1 1 1 1 6823 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2905 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 596.7453@14.068775 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C31 H65 N11 O3 22693 108415 34774 16936 114268 22684 55080 22886 109765 18488 110687 12723 113238 45224 57106 21516 97162 16261 78855 18524 109712 17425 113741 20887 110566 22511 116309 28287 111185 16481 117311 27649 115832 48527 47477 14635 111167 48427 50978 17280 117986 19305 114497 20226 115002 47758 48054 21608 119283 58755 77481 16878 108410 47679 47987 N,N-dimethylsphing-4-enine 1 18750 32611 1 17759 1 16664 1 17800 1 19199 1 18251 32318 33349 1 1 1 1 1 21986 1 20356 1 19468 1 1 1 21614 1 21153 1 20835 32159 31254 1 22419 4799 27818 1 20623 1 20156 1 1 33587 33068 1 13736 33030 33081 1 15646 24952 22803 830.5658@14.131879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 39724 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 656.5242@13.553008 1 1 1 1 1 1 1 1 1 1 1 1 2555 1 1024 1 1359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3248 1 1 1 1 1 1 915.6476@14.043075 1 13821 3132 1 12097 1 2727 1 11460 1 13045 1 11975 3409 3505 1 1366 1 7781 1 9431 1 10914 1 14240 1 12398 1 10631 1 10926 1 12024 1 1 1 13841 1 1 1 10255 1 10098 1 1 1 3466 1 1 1 1 1 1 1 1 851.692@14.137505 1 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46731 1 1 1 1 1 88452 1 1 1 124564 1 1 1 72225 44248 1 535.1586@14.16848 1 10594 1 1 1 1 1 1 16695 1 1 1 1 1 1 1 8092 1 14063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 23149 1 292109 1 1 1 1 1 31387 1 1 1 22292 1 1 383.37@14.054922 1 9213 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9006 1 1 1 6428 1 2420 1 1 1 1 1 1 1 1 1 1 1 4226 783.2001@14.089737 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 860.6611@13.781171 1 1 1 1 1 1 46917 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1450 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 582.0683@14.066904 1 1 1 1 1 1 3707 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 949.7055@13.997022 1 2591 1 1 3677 1 1277 1 3156 1 1 1 2377 1 1 1 3407 1 1906 1 3467 1 2963 1 1 1 2607 1 1 1 1 1 1 1 1 1 2732 1 9097 1 4191 1 3776 1 3160 1 1 1 3027 1 1 1 2994 1 1 871.6206@14.093393 1 10843 2707 1 15033 1 1 1 12244 1 19804 1 12720 1 3925 1 11916 1 12527 1 15148 1 14948 1 12676 1 1 2266 12373 1 14217 1 14285 1 3537 1 16997 1 1 1 14119 1 12363 1 10239 1 1 1 1 1 1 1 1 1 1 327.3141@14.052778 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 26754 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.5622@14.162247 1 1 1 1 1 1 4118 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 37610 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 656.5082@14.105827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 739.6311@14.109849 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 573.4735@14.108955 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16856 1 1 1 1 1 1 905.6827@14.087414 1 2673 1 1 1 1 3331 1 2911 1 2928 1 3004 1 1 1 1102 1 1 1 2507 1 3126 1 1 1 1871 1 1 1 1 1 1 1 1 1 5137 1 1514 1 2999 1 1 1 1 1 1 1 4004 1 1 1 3903 1207 1 429.3709@14.121418 1 1 1 1 1 1 1 1 5695 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.6061@14.093919 1 12223 2632 1 1 1 10946 1 18009 12488 16164 1 12147 1 1 1 13107 1 12171 1 14165 1 14495 1 1 6961 13353 1 1 1 11781 1 11890 1 1 1 1 1 1 1 15863 1 9037 1 1 1 1 1 22185 1 1 1 14734 3339 1 590.4521@13.8735 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2139 1 1 1 1 1 1 1 1 1 1 1 6539 1 1 1 1 1 1 1 1 1189 1 1 1 1 1 1 1 1 1 859.6584@14.129963 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 (6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct / (6RS)-22-oxo-23,24,25,26 1 8740 30771 1 8893 1 8461 1 9938 1 8673 1 9208 30155 30812 1 9946 1 8883 1 10863 1 11101 1 11703 1 11361 1 11169 1 10528 1 10274 31877 31765 1 12580 26270 27917 1 9305 1 13728 1 1 31058 31636 1 7042 30536 1 1 6896 24327 24197 669.5143@14.128521 1 11838 1 1 13091 1 8551 1 12443 1 12328 1 9624 1 1 1 6905 1 12693 1 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562.4216@14.144196 1 4444 1 1 1 1 1 1 1 1 1 1 17396 1 1 1 11175 1 1 1 19623 1 1 7110 25758 5901 1 13142 1 21357 1 1 27387 1 1 1 31291 1 1 1 10089 1 1 1 1 17046 18666 1 1 1 1 1 1 7723 8332 716.5382@14.05623 1 1 1 1 1 1 1561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3175 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 931.6818@14.121967 1 3215 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3768 1 2360 1 1736 1 4865 1 4137 1 5026 1 3660 1 4205 1 4127 1 1 1 1 1 1673 1 4960 1 2687 1 1 1 1 1 4280 1 1 1 3832 1 1 861.6414@14.079783 1 1 2811 1 4581 1 3142 1 4908 1 6517 1 1693 2376 1 1 1 1 1 1 5259 1 1 1 9594 1 1 1 1 1 5486 1 5241 10267 5221 1 4568 1 1 1 4601 1 1 1 3429 4557 1 1 6755 1 1 1 1 1 1 537.1573@14.180115 1 1 1 1 1 1 26827 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17356 1 1 1 1 1 1 1 1 1 1 1 1 1 25967 1 1 1 1 1 42250 1 1 1 1 1 1 1 1 1 1 1 1 843.0782@14.155546 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11032 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9714 1 1 1 2217 1 1 1 1 1 1 1 1 1 1 1444 1 1 1 1 1430 1 757.2131@14.159127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 493.5583@14.177684 1 1 1 1 1 1 15125 1 1 1 1 1 1 1 1 1 11567 1 27486 1 93147 1 107039 1 110481 1 92884 1 101432 1 1 1 98810 1 1 1 103357 1 1 1 110804 1 109857 1 1 1 1 1 2633 1 1 1 1 1 1 562.4208@14.284596 1 1 1 1 1 1 1 1 1 1 1 2460 9582 1841 1 1 3354 1 10443 1 1 1 1 1 18135 1 1 1 1 7119 1 1 1 1 1 2206 27678 1 1 1 1 1 1 3814 1 6160 1 1 1 1 1 1 1 1 5125 C27 H59 N15 S 1 11938 1 1 14501 1 7169 1 10421 1 13043 1 5758 1 1 1 11037 1 8352 1 12463 1 13893 1 10368 1 10989 1 10897 3524 13265 1 12054 1 1 1 11420 1 1 1 13281 1 12120 1 10410 1 1 1 12642 1 1 1 12000 1 1 875.7816@14.353583 1 1 1 1 1 1 1 1 3169 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2840 1 1 1 1 5258 1 428.3652@14.16735 1 1 1 1 1 1 5685 1 1 1 1 1 42137 12606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44491 23693 1 1 1 24222 24095 1 104583 1 73381 1 17449 15525 38590 1 19440 60929 1 1 9261 1 1 551.4904@14.198473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 68606 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 875.6806@14.108489 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1386 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3467 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 573.4728@14.17402 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 29943 1 1 1 1 1 1 1 14704 1 1 1 1 1 1 1 1 1 1 1 1 1 1 30577 1 1 1 1 1 663.6022@14.222514 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4885 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 658.4597@14.182259 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 685.5427@14.247107 1 1 1 1 1 1 2709 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4503 1 1 1027 4157 1 1 1 1 1 1 1 1 1 10731 2774 8535 1 1 1 1 1 17741 1 1 1 1 7715 1 339.3859@14.117528 1 1 11461 1 25626 1 1 1 1 3343 22253 1 1 10360 12063 1 8749 1 5332 1 1 1 1 1 1 1 29116 5061 1 1 1 1 1 10936 7580 1 1 1 1 1 1 1 1 1 1 10297 11901 1 1 11498 14735 1 1 1 9649 630.4508@14.142506 1 3258 1 1 2564 1 1 1 1 1 1 1 3670 1536 1 1 1 1 2204 1 4192 1 1 1 3012 1 1 1 1675 1 1 1 1 1 1 1 14580 1 1 1 3321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 823.6262@14.005298 1 1 1 1 1 8751 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 535.1578@14.198991 1 1 1 1 1 1 1 1 14669 1 68832 1 1 1 1 1 4234 1 11734 1 31470 1 1 1 37984 1 37537 1 71208 1 27277 1 66142 1 1 1 237230 1 1 1 48907 1 1 1 1 1 1 1 1 121232 1096133 1 1 1 1 609.5424@14.25039 1 1 6857 1 1 1 1 1 1 1 1 1 1 1 24678 1 1 1 1 1 1 1 4247 1 1 1 2675 1 1 1 2426 1 1 1 1 1 1 4396 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 705.5122@13.913977 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1558 1 2853 1 1 1 1 1 2172 1 2286 1 1 1 1 1 1 1 2701 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 627.5239@14.0902195 1689 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 729.5364@14.239753 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8429 1 1 1 55669 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7844 1 1 1 1 1 1 1 1 1 C17 H39 Cl N4 O2 1 4488 1 1 5587 1 6352 1 4944 1 4515 1 7124 5502 1 1 5264 1 2262 1 14684 1 8693 1 10437 24999 8283 10164 10345 9613 5426 1 16726 1 1 1 13585 3198 1 1 12590 1 7840 1 1 10404 17558 1 2492 1 1 1 3459 1 1 586.4263@14.053588 1 1 1 1 1 1 1439 1 1 1 1 1 1 1 1 1 2426 1 2893 1 1 1 1 1 2348 1 1 1 1 1 1 1 2785 1 1 1 6678 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1609 1 1 741.599@14.532344 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 849.6563@14.006763 1 1 1 1 1 1 1 1 1 1 1336 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2613 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2805 1 1 3244 1 1 1 1 1 1 1 1 1 769.5896@14.136029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12666 6461 1 1 1 1 1 3489 1 1 1 1 1 1 7764 1 1 1 1 1 1 1 1 1 1 330228 1 1 120694 1 915.6496@14.032878 1 1 1 1 1 1 10591 1 1 1 1 1 1 1 1 1 10127 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1579 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 854.6342@14.192315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 669.5345@14.158894 1 1 1 1 1 1 3261 1 1 1 1 1 1 1 10025 1 1 1 1 1 1 1 1 1 1 1 1517 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 17494 1 640.5173@14.441214 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 536.5172@13.811698 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11925 1 1 1 1 1 1 1 1 774.5945@13.679808 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4325 1 1 1 1 1 8250 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 827.5812@14.149927 1 1 1 1 9787 1 1 1 1 1 10232 1 1 1 1 1 1 1 1 1 44836 1 1 1 12936 1 1 1 1 1 96051 1 1 1 1 1 1 1 1 1 33031 1 1 1 9487 1 1 1 1 1 1 1 1 1 1 811.611@14.353482 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 699.5513@14.299315 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4576 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 683.5566@14.21388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9117 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1832 1 1 1 1 1 1275 1 803.8836@13.999794 1 1 1 1 2389 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1596 1 1 718.5276@14.028369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1529 1 1 1 1 1 1 1 1 1 807.5781@14.136838 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 390009 1 1 1 384704 278729 1 1 1 1 1 1 1 1 264166 1 1 1 1 1 1 1 1 1 7638413 1 1 328303 1 845.594@14.434443 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3359 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 782.5668@14.082251 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 158031 1 1 1 649753 1 1 1 469327 1 1 1 752132 74503 697028 1 87841 1 1 1 1 1 898804 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C15 H28 N2 O4 1 21657 30968 1 14219 1 2849 1 11913 1 10802 1 13756 19760 27578 1 8163 1 14874 1 24380 1 24948 1 20584 1 19964 1 22885 5848 19283 1 22276 21325 22312 1 22549 10591 7299 1 22337 1 21885 1 1 16449 23016 1 6534 8507 14027 1 8096 8200 8539 830.5649@14.208128 1 1 1 1 42643 1 1 1 1 1 1 1 1 17392 1 1 1 1 1 1 37611 1 1 1 1 1 7685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 725.5898@14.325855 1 1 1 1 1 1 1 1 1 1 6215 1 5139 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 538.1486@14.18291 1 1 1 1 1 1 4586 1 1 1 7943 1 1 1 1 1 1 1 1909 1 1 1 1 1 1 1 1 1 1 1 1 1 3473 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 690.5172@14.192969 1 2614 1 1 1 1 2303 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1655 1 1 1 1 1 5219 1 1 1 1 1 1194 1 1 1 1 1 1 1 1 1 1 1 3140 C28 H50 Cl N5 O 1 31234 12527 1 23349 1 11973 1 24475 1 1 1 21703 7861 10046 1 14345 1 10989 1 28786 1 28092 1 28527 1 26119 1 31655 1 1 1 22267 7287 9463 1 28359 6882 1 1 27090 1 26192 1 12092 6791 1 1 13734 1 1 1 15567 1 1 578.5122@14.081421 1 1 1 3006 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C30 H51 N3 O2 S 1 17079 10701 1 6279 1 6922 2815 7138 2685 9438 1 7472 13873 11691 1 1 1 1 1 14274 1 14084 2577 14784 4911 13272 1 20852 1 16921 1 15194 8724 1204 1 12352 8192 7067 1 14365 1 1 1 3381 1 1 1 8814 12038 1 1 6452 1 12249 658.4593@14.214441 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C28 H55 N O4 1 312823 248280 1 286857 1 274904 1 269656 1 270305 1 273109 225973 218637 1 271221 1 247836 1 319574 1 332956 1 321257 1 306895 1 320538 1 300805 1 317419 209486 220102 1 313534 205457 192107 1 322096 1 320298 1 217579 228382 248113 1 235537 193989 199836 1 239678 199243 192866 849.6454@14.142054 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1736 1 1 1 1 4467 5383 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 847.6105@14.113035 1 1 1 1 1 1 1 1 1 1 1 1 1 6119 11204 1 1 1 1 1 1 1 1 1 1 6129 1 1 1 1 1 3117 1 1 8199 1 1 1 1 4879 1 1 1 1 1 1 2824 1 1 1 1 1 1 1 1 875.7829@14.269492 1 1 3126 1 1 1 1 1 1 1 1 1 1 3168 1 1 1 1 1 1 1 1 1 1 1 1 3234 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7028 1 1 1 5709 1 960.8023@14.212842 1 1 6785 1 2978 1 3116 1 2154 1 2578 1 1 5373 7155 1 1 1 2522 1 4049 1 5434 1 4133 1 5208 1 5846 1 5320 1 4395 4908 6120 1 4077 1 1 1 3336 1 5072 1 1 1 4089 1 1 1 3000 1 1 1385 1 581.452@14.190227 1 12968 1 1 13814 1 11467 1 16245 1 13417 1 14452 4466 1 1 9928 1 9968 1 10951 1 12981 1 13149 1 13120 2027 13082 1 12316 1 15661 1 1 1 14083 2793 3103 1 17615 1 14260 1 14445 1 1 1 14193 1 1 1 14174 1 1 755.8528@14.203787 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 871.6118@14.12049 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13772 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 603.4109@13.718405 1 1 1 1 1 1 2645 1 1 1 3425 1 1 1 1 1 1 1 1 1 1 1 4552 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5363 1 1 1 1 1 1 1 1 1 1 1 1 1 1 812.6149@14.290567 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4285 1 1 1 1 1 1 1 1 1 1 1 12625 1 1 1 1 1 1 1 1 1 1 1 1 773.5874@14.241919 1 1 1 1 1 1 1 1 1 1 8874 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10018 9278 1 11111 1 11403 4257 1 5098 2911 1 1 1 1 1 1 1 12405 1 1 7027 6172 1 1 1 1 1 1 25456 1 418.3097@14.099438 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13431 1 1 1 1 1 1 1 1 1 1 1 12125 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 494.5593@14.225504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 269.2361@14.200878 1 10057 1 1 1 1 4069 1 6738 1 1 1 10210 9841 12967 1 1 1 7045 1 9086 1 14474 1 4964 1 12952 1 1 1 1 1 13737 11607 9733 1 11124 1 1 1 1 1 10827 1 1 12801 6370 1 11514 13018 14825 1 1 8128 7637 563.5075@14.2249565 1 9880 1 1 7093 1 2660 1 11637 1 6138 1 7459 1 1 1 5564 1 1 1 1 1 1 1 1 1 1 1 4233 1 1 1 6429 1 1 1 7238 1 1 1 1 1 1 1 19145 1 1 1 14505 1 1 1 1 1 1 639.5275@14.262807 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4874 1 1 1 1 1 699.56@14.231539 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 C27 H50 O S2 1 14162 11007 1 6962 1 4856 1 4914 1 4578 1 10072 1 6016 1 3989 1 1 1 24140 1 14710 1442 19016 4185 3784 2639 3821 1 4461 1 24463 1 1 1 19611 8092 6886 1 14761 1 4617 1 1 18178 1 1 1 1 1 1 4457 7579 7708 339.3864@14.188723 1 22564 1 1 1 1 3864 1 10098 1 1 1 1 1 1 1 8294 1 8931 1 25184 1 24600 1 24089 1 1 1 25483 1 25019 1 20784 1 1 1 20585 9664 10868 1 1 1 27300 1 23333 1 1 1 31187 1 1 1 20149 10815 1 735.0056@14.216895 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2053 1 2552 1 1 1 1 1 1 1 1 1 1 1 2607 1 1 1 3059 1 1 1 1 1 3033 1 1 1 1 1 1 1 1 1 1 1 1 440.2926@14.092784 1 1 1 1 1 1 1 1 1 1 1 1 1 2426 17665 1 1 1 1 1 1 1 1 1 1 1 2204 1 1 1 5957 1 1 1 1 1 1 2252 1 1 6763 1 1 1 1 9435 1 1 1 1 1 1 1 1 1 595.4993@14.345014 1 1 1 1 1 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652.453@13.353154 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 432.3293@13.399985 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 311.3406@13.447813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 788.8713@13.927003 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 409.3533@13.949913 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 788.8702@13.966846 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 790.8936@13.988759 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 796.2146@14.016649 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 797.8917@14.175013 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 796.2187@14.178 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 769.1555@14.195927 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 733.2445@14.212858 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 930.6835@14.223813 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 564.5227@14.293527 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 579.7184@14.419997 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 353.257@9.936501 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2527 1 1 1 1 1 596.4718@10.215369 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3955 1 1 1 1 1 327.217@10.271133 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2661 1 1 1 1 1 542.3341@11.207708 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 77674 1 1 1 1 1 981.0118@11.336029 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2170 1 1 1 1 1 981.1848@11.340009 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1614 1 1 1 1 1 892.9132@11.383773 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3063 1 1 1 1 1 893.1286@11.38974 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1278 1 1 1 1 1 848.8441@11.4165945 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1992 1 1 1 1 1 520.3212@11.454388 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15338 1 1 1 1 1 759.8757@11.467316 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3878 1 1 1 1 1 370.201@11.484223 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2265 1 1 1 1 1 702.5525@11.72685 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8135 1 1 1 1 1 581.4442@12.426504 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3750 1 1 1 1 1 979.6828@12.439419 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5995 1 1 1 1 1 937.6888@12.905188 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1982 1 1 1 1 1 620.4743@13.064022 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1293 1 1 1 1 1 813.5605@13.083875 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7162 1 1 1 1 1 771.5604@13.0987625 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7792 1 1 1 1 1 792.2288@13.291298 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1526 1 1 1 1 1 183.0663@13.360757 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9776 1 1 1 1 1 444.3583@13.777377 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2032 1 1 1 1 1 444.3609@13.854723 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4402 1 1 1 1 1 383.3614@13.9925375 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7463 1 1 1 1 1 886.592@14.012365 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4136 1 1 1 1 1 631.2714@14.098607 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4166 1 1 1 1 1 853.7142@14.150149 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2131 1 1 1 1 1 811.5959@13.791321 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 22997 128242 1 1 1 1 997.2984@14.269077 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3120 1 1 1 1 1 89.0841@14.333983 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27448 50227 1 1 1 1 444.3599@14.289887 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4735 1 1 1 1 1 656.5467@14.290879 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8885 1 1 1 1 1 608.8776@14.305742 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5188 1 1 1 1 1 468.2899@9.677307 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19513 1 1 1 1 656.3957@9.689275 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4862 1 1 1 1 602.4247@9.950561 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2115 1 1 1 1 704.5629@12.357833 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5754 1 1 1 1 772.5808@12.415571 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 44032 1 1 1 1 874.5499@12.526063 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 38464 1 1 1 1 354.2636@12.570854 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 21946 1 1 1 1 755.5593@13.729878 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 67559 1 1 1 1 616.5259@13.815392 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 46188 1 1 1 1 606.3939@14.040082 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10965 1 1 1 1 502.1003@14.200121 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8831 1 1 1 1 581.4688@14.207079 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11662 1 1 1 1 584.3571@14.485351 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13903 1 1 1 1 671.405@14.498269 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13686 1 1 1 1 562.3747@14.517148 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 19309 1 1 1 1 745.5624@14.53404 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 321236 1 1 1 1 metabolite_name retention index quantified m/z PubChem ID KEGG ID 83.0369@0.70201457 0.70201457 83.0369 60.0333@0.66350967 0.66350967 60.0333 942.9813@0.6290238 0.6290238 942.9813 621.0187@0.7191855 0.7191855 621.0187 942.9819@0.72873896 0.72873896 942.9819 958.9553@0.70769536 0.70769536 958.9553 2,4-Dihydroxybutyric acid 129.0786@0.66463006 0.66463006 129.0786 145.0726@0.7543331 0.7543331 145.0726 Purine 921.0025@0.7282506 0.7282506 921.0025 71.0738@0.7716168 0.7716168 71.0738 157.9881@0.766409 0.766409 157.9881 100.0019@0.76842695 0.76842695 100.0019 97.9681@0.76916367 0.76916367 97.9681 110.9988@0.7702416 0.7702416 110.9988 123.0175@0.77191144 0.77191144 123.0175 127.9965@0.7695096 0.7695096 127.9965 970.9948@0.76031053 0.76031053 970.9948 115.0631@0.8008109 0.8008109 115.0631 942.9824@0.7909914 0.7909914 942.9824 D-Lysine Vigabatrin 83.0725@0.80052495 0.80052495 83.0725 457.9374@0.8036409 0.8036409 457.9374 C15 H2 O13 C17 O15 C14 O13 C15 H2 N2 O14 S2 C12 H2 N2 O12 S2 C14 H2 O8 S2 C7 H2 O11 S 515.8954@0.80723155 0.80723155 515.8954 C7 H4 N4 S3 447.909@0.8093196 0.8093196 447.909 103.9851@0.81398255 0.81398255 103.9851 C10 H Cl O 501.8808@0.8097366 0.8097366 501.8808 639.8368@0.8136754 0.8136754 639.8368 C4 H2 O9 S 462.0176@0.8134665 0.8134665 462.0176 C16 H12 Cl2 S5 C6 H3 Cl O S C14 O16 S2 C9 H2 Cl2 O15 89.97@0.8178159 0.8178159 89.97 312.0267@0.81399274 0.81399274 312.0267 C4 H2 O8 S2 258.057@0.8144927 0.8144927 258.057 561.8311@0.8166508 0.8166508 561.8311 365.9068@0.81416184 0.81416184 365.9068 C13 H Cl O6 S2 394.0295@0.817676 0.817676 394.0295 C10 H10 N6 O5 S 545.8208@0.81750107 0.81750107 545.8208 169.0851@0.81446284 0.81446284 169.0851 C5 H10 N4 O4 C6 H Cl O9 S 477.835@0.8187113 0.8187113 477.835 412.1253@0.8181632 0.8181632 412.1253 426.1417@0.8188983 0.8188983 426.1417 231.9111@0.82080555 0.82080555 231.9111 226.1242@0.82723975 0.82723975 226.1242 423.8657@0.8182443 0.8182443 423.8657 C11 H4 Cl2 N2 O3 S4 C6 H5 Cl3 O3 C15 S2 609.7592@0.82288736 0.82288736 609.7592 549.8086@0.82043916 0.82043916 549.8086 C19 H17 N9 S2 367.1182@0.8235104 0.8235104 367.1182 C3 H Cl O7 S 335.0081@0.8232999 0.8232999 335.0081 413.8376@0.8233248 0.8233248 413.8376 449.12@0.8243413 0.8243413 449.12 206.0412@0.8237634 0.8237634 206.0412 535.7911@0.8229474 0.8229474 535.7911 481.8253@0.8222607 0.8222607 481.8253 204.0855@0.82457787 0.82457787 204.0855 C5 H5 N5 O4 341.8609@0.8243099 0.8243099 341.8609 539.7869@0.8253217 0.8253217 539.7869 665.7275@0.825183 0.825183 665.7275 467.806@0.8244519 0.8244519 467.806 541.7777@0.826845 0.826845 541.7777 415.8244@0.82417107 0.82417107 415.8244 593.7437@0.82733953 0.82733953 593.7437 204.1421@0.85644644 0.85644644 204.1421 958.9579@0.82901204 0.82901204 958.9579 399.8192@0.82789975 0.82789975 399.8192 599.7343@0.8297812 0.8297812 599.7343 858.9637@0.8277545 0.8277545 858.9637 213.0498@0.84195995 0.84195995 213.0498 525.7629@0.82783693 0.82783693 525.7629 583.7161@0.82925063 0.82925063 583.7161 709.6502@0.8317053 0.8317053 709.6502 587.7181@0.83076847 0.83076847 587.7181 457.7758@0.8295125 0.8295125 457.7758 655.7059@0.8303313 0.8303313 655.7059 651.6997@0.8300838 0.8300838 651.6997 591.703@0.831925 0.831925 591.703 533.7382@0.8286774 0.8286774 533.7382 461.7717@0.82966644 0.82966644 461.7717 901.5736@0.8320034 0.8320034 901.5736 205.8864@0.8311547 0.8311547 205.8864 831.5771@0.8329195 0.8329195 831.5771 573.6872@0.8317924 0.8317924 573.6872 577.6899@0.83240557 0.83240557 577.6899 795.6513@0.8290135 0.8290135 795.6513 935.5573@0.832 0.832 935.5573 641.6755@0.83247876 0.83247876 641.6755 647.6712@0.8316298 0.8316298 647.6712 701.6435@0.8330781 0.8330781 701.6435 773.6075@0.8322037 0.8322037 773.6075 C26 H10 S 975.523@0.8335098 0.8335098 975.523 971.531@0.833 0.833 971.531 715.6607@0.8325452 0.8325452 715.6607 865.5883@0.83250713 0.83250713 865.5883 817.5555@0.83513004 0.83513004 817.5555 C5 H10 N6 O4 955.519@0.83334 0.83334 955.519 959.5347@0.8320067 0.8320067 959.5347 286.0631@0.8340366 0.8340366 286.0631 281.828@0.8345921 0.8345921 281.828 947.5291@0.834 0.834 947.5291 694.6928@0.834 0.834 694.6928 C8 H14 N2 O2 S2 429.8213@0.8350034 0.8350034 429.8213 621.6986@0.835 0.835 621.6986 422.0382@0.8318662 0.8318662 422.0382 761.6019@0.8393697 0.8393697 761.6019 887.5478@0.83728135 0.83728135 887.5478 731.6661@0.83500516 0.83500516 731.6661 463.1145@0.8400445 0.8400445 463.1145 7,8-Diaminononanoate 897.5533@0.8365195 0.8365195 897.5533 615.7063@0.83525795 0.83525795 615.7063 913.5366@0.8362714 0.8362714 913.5366 939.4977@0.8372278 0.8372278 939.4977 129.0791@0.836511 0.836511 129.0791 386.1427@0.8357083 0.8357083 386.1427 943.5179@0.83584523 0.83584523 943.5179 891.5428@0.83611083 0.83611083 891.5428 933.5185@0.83903074 0.83903074 933.5185 765.5936@0.8396017 0.8396017 765.5936 811.52@0.8374119 0.8374119 811.52 727.6653@0.8318965 0.8318965 727.6653 853.5741@0.83735245 0.83735245 853.5741 Proline 903.5537@0.83844596 0.83844596 903.5537 789.4734@0.84158266 0.84158266 789.4734 863.573@0.83801144 0.83801144 863.573 630.7221@0.843 0.843 630.7221 7,8-Diaminononanoate + 0.84967834 907.5507@0.8363411 0.8363411 907.5507 877.5116@0.8425079 0.8425079 877.5116 847.591@0.83961123 0.83961123 847.591 671.6992@0.847 0.847 671.6992 942.982@0.840466 0.840466 942.982 295.0577@0.8568609 0.8568609 295.0577 Histidine C5 H7 N3 Purine + 0.8628673 Benserazide 220.021@0.86502695 0.86502695 220.021 921.0025@0.86353487 0.86353487 921.0025 Pyrroline hydroxycarboxylic acid Arginine Gly Ala C12 H13 N3 O5 His Gly Gly 551.8012@0.8287977 0.8287977 551.8012 C6 H9 N3 491.8386@0.86780083 0.86780083 491.8386 1-methylhistidine 191.0637@0.8691097 0.8691097 191.0637 375.9209@0.8719604 0.8719604 375.9209 177.0512@0.86420596 0.86420596 177.0512 103.9849@0.8724951 0.8724951 103.9849 C11 H8 Cl2 N2 O3 S C5 H9 Cl N2 O8 203.2165@0.8740057 0.8740057 203.2165 myo-Inositol Cys Cys 383.8775@0.85050833 0.85050833 383.8775 C11 H14 N10 O6 383.3611@0.8755037 0.8755037 383.3611 448.0532@0.8793781 0.8793781 448.0532 3-Aminopropanal 343.9795@0.8828147 0.8828147 343.9795 219.0443@0.87950695 0.87950695 219.0443 C11 H21 Cl N2 O14 390.2607@0.8830137 0.8830137 390.2607 348.115@0.8800834 0.8800834 348.115 412.0762@0.88474894 0.88474894 412.0762 404.09@0.88755596 0.88755596 404.09 570.1579@0.8896446 0.8896446 570.1579 C11 H22 N2 O11 S 592.1409@0.8846148 0.8846148 592.1409 ISOPIMPINELLIN C5 H12 N2 O6 S 3-(a-Naphthoxy)lactic acid glucuronide 84.0993@0.88728505 0.88728505 84.0993 72.0216@0.8900539 0.8900539 72.0216 Lactic acid C10 H21 N7 O S2 C5 H4 O2 98.0366@0.8888675 0.8888675 98.0366 86.0372@0.8944184 0.8944184 86.0372 isoamyl nitrite 356.1001@0.88641405 0.88641405 356.1001 Hydroxyhydroquinone 179.1913@0.888 0.888 179.1913 C6 H15 N O6 C8 H14 N4 O4 S 578.1434@0.8878327 0.8878327 578.1434 (E)-2-Methylglutaconic acid Glucosamine 288.0748@0.89241123 0.89241123 288.0748 C4 H4 O2 Tyr Thr Cys C16 H33 N3 O13 S 291.1633@0.8926825 0.8926825 291.1633 758.2065@0.8951342 0.8951342 758.2065 pentan-3-one 416.0909@0.8921804 0.8921804 416.0909 305.2054@0.8973133 0.8973133 305.2054 C10 H13 N C10 H22 N2 O4 C8 H16 N8 O2 C10 H24 N2 O3 Valine Urea 349.1535@0.91301334 0.91301334 349.1535 C12 H26 N2 O5 253.1422@0.92093325 0.92093325 253.1422 454.1786@0.8959247 0.8959247 454.1786 C7 H15 N O3 C8 H20 N2 O3 C5 H9 N7 O 275.1135@0.92940605 0.92940605 275.1135 302.0776@0.9323247 0.9323247 302.0776 90.0336@0.9350025 0.9350025 90.0336 248.1434@0.93350065 0.93350065 248.1434 L-Alaninol 153.0513@0.95388514 0.95388514 153.0513 3-Guanidinopropionic acid 230.1363@0.95158046 0.95158046 230.1363 C4 H9 N 266.1105@0.96320385 0.96320385 266.1105 C8 H21 N5 O4 S2 252.1181@0.96426094 0.96426094 252.1181 Creatinine 93.0565@0.9791586 0.9791586 93.0565 Creatinine + 0.9782891 156.0536@0.96476275 0.96476275 156.0536 C4 H7 N Thr Glu C4 H5 N3 O4 D-Proline 272.0849@0.9696033 0.9696033 272.0849 C4 H9 N O S2 140.0588@1.021064 1.021064 140.0588 N-METHYLISOLEUCINE Vigabatrin + 1.0069108 103.099@1.0169591 1.0169591 103.099 Pentoxifylline 218.1623@1.0106701 1.0106701 218.1623 198.1078@1.0043486 1.0043486 198.1078 308.1704@1.0151519 1.0151519 308.1704 Triparanol 1-Aminocyclohexanecarboxylic acid 69.0579@0.9855745 0.9855745 69.0579 Asymmetric dimethylarginine C18 H22 O7 S 94.0525@1.0550143 1.0550143 94.0525 942.9822@1.0759891 1.0759891 942.9822 C12 H10 O S 356.24@1.0608075 1.0608075 356.24 117.0779@1.0775238 1.0775238 117.0779 264.1036@1.0705225 1.0705225 264.1036 958.9562@1.1036093 1.1036093 958.9562 211.0957@1.114244 1.114244 211.0957 120.1369@1.0789697 1.0789697 120.1369 C10 H16 N2 O4 184.0342@1.1227897 1.1227897 184.0342 176.0314@1.1254755 1.1254755 176.0314 175.1193@1.1405542 1.1405542 175.1193 143.0932@1.1395597 1.1395597 143.0932 3,4-Dihydroxybutyric acid 942.9814@1.1699207 1.1699207 942.9814 382.1073@1.1732374 1.1732374 382.1073 115.0634@1.2155155 1.2155155 115.0634 821.0066@1.1977596 1.1977596 821.0066 218.0175@1.1816767 1.1816767 218.0175 D-Glucose 319.123@1.1850277 1.1850277 319.123 358.0604@1.1846356 1.1846356 358.0604 Valine + 1.1855006 C14 H20 O5 S 427.1352@1.187409 1.187409 427.1352 572.2046@1.1866103 1.1866103 572.2046 isoamyl nitrite + 1.1783686 Pro His His C8 H16 N8 O2 + 1.1841767 433.1465@1.1870672 1.1870672 433.1465 970.9961@1.2151632 1.2151632 970.9961 C4 H9 N + 1.1801513 439.1625@1.1867203 1.1867203 439.1625 C4 H7 N3 O4 C12 H31 N7 O S5 Glu Tyr Thr 294.0885@1.1900393 1.1900393 294.0885 921.0025@1.1751381 1.1751381 921.0025 C7 H12 N6 O5 117.1103@1.1847574 1.1847574 117.1103 C4 H11 N cyclohexylammonium 75.0326@1.2127644 1.2127644 75.0326 C10 H11 N O2 297.1248@1.205901 1.205901 297.1248 Uridine 230.1615@1.21643 1.21643 230.1615 210.0963@1.2213416 1.2213416 210.0963 120.0436@1.1474301 1.1474301 120.0436 120.1369@1.2089169 1.2089169 120.1369 169.0765@1.220521 1.220521 169.0765 125.0787@1.2336992 1.2336992 125.0787 147.0886@1.2276313 1.2276313 147.0886 166.0844@1.2241119 1.2241119 166.0844 Val Ala 73.0168@1.2316842 1.2316842 73.0168 285.1287@1.2421963 1.2421963 285.1287 Isobutylglycine 8-Amino Caprylic acid C6 H11 N 1-Aminocyclohexanecarboxylic acid + 1.2353454 C6 H11 N O2 216.1352@1.2465757 1.2465757 216.1352 C5 H9 N Uric acid Ecgonine 246.1161@1.252 1.252 246.1161 C12 H25 N O2 S2 C11 H19 N O6 Oxalosuccinic acid Tranexamic acid C4 H9 N S 149.0507@1.2571453 1.2571453 149.0507 C5 H8 O2 S 171.1131@1.2327298 1.2327298 171.1131 84.0213@1.404057 1.404057 84.0213 350.1515@1.2574508 1.2574508 350.1515 L-Glutamic acid n-butyl ester 1-Methyladenosine Bis (2-hydroxypropyl) amine Ile Pro C9 H21 N O3 C5 H11 N Threonate 621.0206@1.2522665 1.2522665 621.0206 921.0025@1.292148 1.292148 921.0025 609.3461@1.309 1.309 609.3461 168.0297@1.3702759 1.3702759 168.0297 225.0973@1.477162 1.477162 225.0973 L-Glutamic acid n-butyl ester + 1.5098839 164.0472@1.5961143 1.5961143 164.0472 3-Amino-3-(4-hydroxyphenyl)propanoate 228.1469@1.5799934 1.5799934 228.1469 145.9949@1.7352518 1.7352518 145.9949 642.0474@1.7240076 1.7240076 642.0474 636.0321@1.7337688 1.7337688 636.0321 760.0431@1.7386147 1.7386147 760.0431 135.0647@1.6588385 1.6588385 135.0647 527.9897@1.7264366 1.7264366 527.9897 394.0212@1.7289424 1.7289424 394.0212 270.0082@1.7365202 1.7365202 270.0082 281.1121@1.762744 1.762744 281.1121 3-Amino-3-(4-hydroxyphenyl)propanoate + 1.7813773 203.0555@1.7430135 1.7430135 203.0555 266.0505@1.7729334 1.7729334 266.0505 636.0308@1.7880255 1.7880255 636.0308 135.0669@1.7747577 1.7747577 135.0669 164.0469@1.756274 1.756274 164.0469 247.1412@1.8719828 1.8719828 247.1412 142.0251@1.8739883 1.8739883 142.0251 228.1469@1.8868904 1.8868904 228.1469 958.9556@1.9219774 1.9219774 958.9556 228.1459@2.012766 2.012766 228.1459 C7 H4 N2 O4 311.1113@2.0385118 2.0385118 311.1113 153.0757@2.0565457 2.0565457 153.0757 921.0025@2.0379257 2.0379257 921.0025 C5 H11 N + 2.0955465 Isoleucine 153.0756@2.1258206 2.1258206 153.0756 958.9569@2.177152 2.177152 958.9569 117.0783@2.1900678 2.1900678 117.0783 228.1454@2.2531912 2.2531912 228.1454 142.025@2.195352 2.195352 142.025 247.1409@2.1827116 2.1827116 247.1409 942.9834@2.127638 2.127638 942.9834 201.1715@2.2105296 2.2105296 201.1715 921.0025@2.211947 2.211947 921.0025 464.1166@2.2600338 2.2600338 464.1166 721.2242@2.272702 2.272702 721.2242 148.0108@2.2831838 2.2831838 148.0108 377.1357@2.272614 2.272614 377.1357 230.0765@2.2824516 2.2824516 230.0765 566.1956@2.2794404 2.2794404 566.1956 727.2396@2.277534 2.277534 727.2396 617.1943@2.2766378 2.2766378 617.1943 421.101@2.2997735 2.2997735 421.101 638.2242@2.2779078 2.2779078 638.2242 475.1925@2.2553196 2.2553196 475.1925 431.2288@2.2798178 2.2798178 431.2288 413.1195@2.27164 2.27164 413.1195 404.1826@2.2798982 2.2798982 404.1826 601.2206@2.27924 2.27924 601.2206 C9 H24 N4 O6 469.1828@2.2764966 2.2764966 469.1828 491.1653@2.2492065 2.2492065 491.1653 454.1752@2.2817125 2.2817125 454.1752 560.179@2.277056 2.277056 560.179 Leucine 328.1344@2.2858765 2.2858765 328.1344 628.2667@2.2528124 2.2528124 628.2667 481.2106@2.2732887 2.2732887 481.2106 Isoleucine + 2.3072839 C5 H11 N + 2.3083274 175.0579@2.2761855 2.2761855 175.0579 574.1748@2.2740276 2.2740276 574.1748 202.0443@2.2921855 2.2921855 202.0443 921.0025@2.2650688 2.2650688 921.0025 247.1412@2.3106732 2.3106732 247.1412 464.1151@2.2983034 2.2983034 464.1151 139.0615@2.319 2.319 139.0615 921.0025@2.3307493 2.3307493 921.0025 942.9817@2.35986 2.35986 942.9817 958.9556@2.459307 2.459307 958.9556 921.0025@2.5188742 2.5188742 921.0025 921.0025@2.700343 2.700343 921.0025 821.0066@2.7160459 2.7160459 821.0066 C6 H15 N O 162.1139@2.7660944 2.7660944 162.1139 3-methyl valeric acid 228.1463@2.7748406 2.7748406 228.1463 122.0715@2.7597609 2.7597609 122.0715 279.0822@2.7655156 2.7655156 279.0822 135.0334@2.7815208 2.7815208 135.0334 158.0659@2.770019 2.770019 158.0659 240.146@2.7650797 2.7650797 240.146 N-Methyl-2-pyridone-5-carboxamide (Nudifloramide) 442.1194@2.7786305 2.7786305 442.1194 N-Methyl-2-pyridone-5-carboxamide (Nudifloramide) + 2.7980347 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid 326.0977@2.7910988 2.7910988 326.0977 169.1193@2.7925322 2.7925322 169.1193 145.0733@2.8091931 2.8091931 145.0733 229.1484@2.813 2.813 229.1484 165.0446@2.814 2.814 165.0446 C12 H21 N O6 226.1674@2.868437 2.868437 226.1674 256.1013@2.866268 2.866268 256.1013 292.066@2.8757854 2.8757854 292.066 164.0704@2.88 2.88 164.0704 C10 H19 N O4 259.141@2.9272952 2.9272952 259.141 270.0672@3.0146806 3.0146806 270.0672 C6 H14 O4 159.088@2.9456666 2.9456666 159.088 Pinacidil-N-Oxide 110.0832@3.0216475 3.0216475 110.0832 179.0936@3.0232882 3.0232882 179.0936 222.0983@3.0260398 3.0260398 222.0983 166.0502@2.9775658 2.9775658 166.0502 304.0773@3.049991 3.049991 304.0773 150.0886@3.0812209 3.0812209 150.0886 246.1229@3.0809674 3.0809674 246.1229 110.0833@3.0788703 3.0788703 110.0833 C4 H8 N6 O2 208.0846@3.128152 3.128152 208.0846 230.0681@3.1481009 3.1481009 230.0681 802.208@3.1605163 3.1605163 802.208 796.2226@3.1580849 3.1580849 796.2226 943.2271@3.1614778 3.1614778 943.2271 918.2301@3.1601636 3.1601636 918.2301 533.1802@3.1622717 3.1622717 533.1802 577.1476@3.1628828 3.1628828 577.1476 C7 H6 O 776.2458@3.1631742 3.1631742 776.2458 957.2792@3.1623292 3.1623292 957.2792 C19 H41 N5 O10 S3 798.2297@3.1597352 3.1597352 798.2297 102.0461@3.1692271 3.1692271 102.0461 C7 H13 N3 O2 Phenylalanine 912.2102@3.160661 3.160661 912.2102 C20 H35 N9 O5 S2 C17 H23 N17 O4 S C15 H12 N10 O4 C9 H6 O 790.2225@3.1601284 3.1601284 790.2225 358.1581@3.161639 3.161639 358.1581 928.2255@3.1618087 3.1618087 928.2255 C6 H9 N3 O4 773.2308@3.1610844 3.1610844 773.2308 782.2604@3.1603355 3.1603355 782.2604 C8 H7 N3 O4 DL-Ornithine C18 H33 N7 O10 S C11 H22 N4 O12 C18 H29 N15 O3 S2 Cinnamic acid 555.1675@3.1638696 3.1638696 555.1675 971.2583@3.161618 3.161618 971.2583 599.1397@3.1614683 3.1614683 599.1397 966.2781@3.1610863 3.1610863 966.2781 352.1375@3.1618562 3.1618562 352.1375 974.2729@3.1610415 3.1610415 974.2729 925.2349@3.161 3.161 925.2349 C18 H35 N7 O11 S2 764.2093@3.162719 3.162719 764.2093 989.2637@3.1613665 3.1613665 989.2637 770.2256@3.1629567 3.1629567 770.2256 489.6344@3.1611412 3.1611412 489.6344 887.7623@3.163 3.163 887.7623 307.0762@3.170992 3.170992 307.0762 C15 H13 N O2 99.1018@3.2458327 3.2458327 99.1018 289.1512@3.2460015 3.2460015 289.1512 195.1203@3.3090062 3.3090062 195.1203 C6 H12 N6 O3 176.1044@3.3303382 3.3303382 176.1044 C5 H9 N O 230.0753@3.214756 3.214756 230.0753 208.095@3.3131335 3.3131335 208.095 162.0881@3.3207939 3.3207939 162.0881 190.0853@3.317 3.317 190.0853 252.0592@3.3235083 3.3235083 252.0592 358.1875@3.33 3.33 358.1875 Theophylline 234.0752@3.3223526 3.3223526 234.0752 289.1516@3.3441525 3.3441525 289.1516 241.0934@3.3355339 3.3355339 241.0934 Pantothenic Acid C6 H12 N6 O3 + 3.3953266 C12 H21 N S C8 H18 O5 Acetoin 224.0652@3.4087212 3.4087212 224.0652 227.1128@3.4115033 3.4115033 227.1128 C4 H8 N6 O 246.1205@3.535554 3.535554 246.1205 C7 H10 N8 242.1739@3.493432 3.493432 242.1739 C9 H16 N2 O2 125.0834@3.5834298 3.5834298 125.0834 C11 H21 N O4 301.1866@3.5398614 3.5398614 301.1866 C4 H8 N6 O + 3.6249673 283.1259@3.6086853 3.6086853 283.1259 288.0803@3.6155176 3.6155176 288.0803 256.0925@3.630724 3.630724 256.0925 884.2747@3.628707 3.628707 884.2747 926.2582@3.6330283 3.6330283 926.2582 815.7019@3.6266878 3.6266878 815.7019 932.2405@3.6267474 3.6267474 932.2405 C33 H46 N2 O3 S5 ethotoin 923.7598@3.6280262 3.6280262 923.7598 204.209@3.6328588 3.6328588 204.209 C19 H22 N6 O6 C45 H30 N2 O S3 Indoleacrylic acid C36 H36 N2 O7 S2 689.1922@3.6283066 3.6283066 689.1922 468.1119@3.6439052 3.6439052 468.1119 Tryptophan C24 H32 N18 S4 C10 H10 N2 C8 H10 N4 O3 S C35 H34 N6 O3 S2 916.2355@3.629 3.629 916.2355 813.2038@3.629 3.629 813.2038 C19 H22 N8 O3 S2 C9 H12 O8 TEGASEROD Phenytoin-N-glucuronide Theophylline + 3.6554136 C11 H21 N O4 + 3.6620948 274.1019@3.651513 3.651513 274.1019 Pro His 269.1476@3.6504638 3.6504638 269.1476 206.113@3.648519 3.648519 206.113 132.0782@3.40665 3.40665 132.0782 C15 H14 C9 H14 O S2 354.0903@3.6835177 3.6835177 354.0903 246.1248@3.6784458 3.6784458 246.1248 921.0025@3.725191 3.725191 921.0025 821.0069@3.8024826 3.8024826 821.0069 472.0992@3.8479958 3.8479958 472.0992 256.0928@3.7335887 3.7335887 256.0928 114.0669@3.6575482 3.6575482 114.0669 Acetoin + 3.5543795 C8 H16 N6 O4 C10 H22 O6 C7 H17 N11 299.1784@3.695281 3.695281 299.1784 132.0784@3.6865218 3.6865218 132.0784 295.1431@3.7083964 3.7083964 295.1431 315.1889@3.7550025 3.7550025 315.1889 275.172@3.801399 3.801399 275.172 958.9567@3.8017929 3.8017929 958.9567 124.0983@3.839937 3.839937 124.0983 210.0759@3.8236854 3.8236854 210.0759 260.1331@3.8205311 3.8205311 260.1331 295.1418@3.869873 3.869873 295.1418 928.233@3.884979 3.884979 928.233 624.143@3.8835597 3.8835597 624.143 776.185@3.8662503 3.8662503 776.185 478.1162@3.877027 3.877027 478.1162 944.209@3.879 3.879 944.209 921.0025@3.8877904 3.8877904 921.0025 C5 H6 N2 O5 925.1884@3.882 3.882 925.1884 378.1854@3.9053216 3.9053216 378.1854 332.1071@3.900322 3.900322 332.1071 His Thr Ala 310.125@3.903322 3.903322 310.125 275.1731@3.911946 3.911946 275.1731 C9 H27 N7 O S2 296.1464@3.9338627 3.9338627 296.1464 318.128@3.9403756 3.9403756 318.128 250.1406@3.931031 3.931031 250.1406 157.1096@3.9494908 3.9494908 157.1096 88.0523@3.7660198 3.7660198 88.0523 132.078@3.976861 3.976861 132.078 294.1242@3.9620616 3.9620616 294.1242 C9 H21 N11 O C12 H26 O7 C10 H20 N6 O5 343.2012@3.9752247 3.9752247 343.2012 224.0946@4.037632 4.037632 224.0946 300.1123@4.039872 4.039872 300.1123 577.2568@4.0475364 4.0475364 577.2568 563.2781@4.0585375 4.0585375 563.2781 DIHYDROFISSINOLIDE 6-Formylindolo [3,2-B] carbazole Isobutylglycine + 4.0776467 Indoleacrylic acid + 4.0787907 C14 H18 N2 O2 246.2688@4.0830426 4.0830426 246.2688 epsilon-Caprolactam C20 H29 N S C10 H24 N10 1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetradehydro-24,25,26,27-tetranorv C12 H22 N2 O2 C9 H20 N4 O4 cyclohexylammonium + 4.089639 138.1145@4.0644965 4.0644965 138.1145 133.053@4.0959797 4.0959797 133.053 371.1785@4.1591043 4.1591043 371.1785 376.1334@4.150318 4.150318 376.1334 354.152@4.1509852 4.1509852 354.152 216.0698@4.1876493 4.1876493 216.0698 Caffeine 384.1375@4.188488 4.188488 384.1375 362.1541@4.1815248 4.1815248 362.1541 Lys Asn Pro 410.1424@4.186447 4.186447 410.1424 340.1736@4.181184 4.181184 340.1736 226.166@4.2099495 4.2099495 226.166 387.2264@4.202177 4.202177 387.2264 Ser Ser Arg C11 H25 N11 O2 C14 H30 O8 189.1358@4.2173495 4.2173495 189.1358 C10 H16 N2 O2 621.2838@4.230461 4.230461 621.2838 607.304@4.239994 4.239994 607.304 152.1195@4.2482166 4.2482166 152.1195 210.1227@4.242783 4.242783 210.1227 201.0786@4.274095 4.274095 201.0786 340.1778@4.2907343 4.2907343 340.1778 317.1825@4.279003 4.279003 317.1825 Pinacidil 129.0427@4.3230886 4.3230886 129.0427 146.0683@4.312086 4.312086 146.0683 308.0772@4.3139753 4.3139753 308.0772 N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine 594.1685@4.3103323 4.3103323 594.1685 5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin 201.0404@4.337112 4.337112 201.0404 C7 H4 O 4-Oxo-4-(3-pyridyl)-butanoic acid 415.2048@4.3733773 4.3733773 415.2048 Pinacidil + 4.3858333 420.1595@4.366315 4.366315 420.1595 186.0881@4.360761 4.360761 186.0881 406.1807@4.3943233 4.3943233 406.1807 C16 H35 N O10 384.1987@4.394823 4.394823 384.1987 Lys Gln Ile 431.2523@4.4107323 4.4107323 431.2523 C13 H34 N6 O2 S2 392.2023@4.4184337 4.4184337 392.2023 C8 H19 N 262.131@4.4265885 4.4265885 262.131 463.1816@4.508 4.508 463.1816 447.1882@4.550502 4.550502 447.1882 459.2307@4.564651 4.564651 459.2307 C23 H43 N O S3 450.2081@4.5922966 4.5922966 450.2081 266.1125@4.621909 4.621909 266.1125 475.2796@4.596235 4.596235 475.2796 414.2461@4.604867 4.604867 414.2461 C15 H33 N11 O4 477.1984@4.59882 4.59882 477.1984 436.2287@4.600253 4.600253 436.2287 C18 H18 N2 O5 320.1393@4.6067767 4.6067767 320.1393 270.1079@4.6297345 4.6297345 270.1079 C15 H21 N O4 360.1754@4.697975 4.697975 360.1754 503.2575@4.736006 4.736006 503.2575 220.1541@4.741331 4.741331 220.1541 C33 H35 N3 O Netilmicin 268.1269@4.8046336 4.8046336 268.1269 331.1974@4.76 4.76 331.1974 480.2548@4.77044 4.77044 480.2548 TIAPRIDE 861.9705@4.788027 4.788027 861.9705 921.0025@4.768351 4.768351 921.0025 821.0062@4.8093915 4.8093915 821.0062 4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline C4 H6 N2 O6 S 437.0174@4.7931433 4.7931433 437.0174 120.0436@4.786 4.786 120.0436 651.9701@4.787862 4.787862 651.9701 441.9731@4.792324 4.792324 441.9731 210.1206@4.8270006 4.8270006 210.1206 Gln Pro Lys 559.3178@4.82613 4.82613 559.3178 C10 H22 N8 O2 S 547.2835@4.8904715 4.8904715 547.2835 C18 H44 Cl N9 O7 C19 H41 N11 O6 C24 H44 N4 O4 270.1072@4.9007797 4.9007797 270.1072 C11 H18 N2 O2 477.1974@4.9650884 4.9650884 477.1974 C29 H41 N13 O2 C24 H39 N5 S2 129.1505@4.9873548 4.9873548 129.1505 282.1136@4.9662576 4.9662576 282.1136 C15 H25 N15 270.1072@5.0133367 5.0133367 270.1072 C31 H49 Cl2 N5 O C21 H45 N11 O7 C33 H61 N O5 S3 1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetradehydro-24,25,26,27-tetranorv + 5.111139 C24 H44 N4 O4 + 5.111034 155.1304@5.118198 5.118198 155.1304 195.1224@5.1220975 5.1220975 195.1224 210.1357@5.078025 5.078025 210.1357 C26 H43 N5 O S2 Gly Val His 296.1275@5.142 5.142 296.1275 284.123@5.170315 5.170315 284.123 326.1579@5.155 5.155 326.1579 C23 H49 N11 O8 324.1835@5.202381 5.202381 324.1835 Pantetheine 300.1095@5.210771 5.210771 300.1095 C16 H33 N11 O5 312.1557@5.223041 5.223041 312.1557 691.3984@5.2095594 5.2095594 691.3984 C10 H18 N2 270.1075@5.2257724 5.2257724 270.1075 C28 H47 N5 O2 S2 152.0832@5.3614416 5.3614416 152.0832 C25 H53 N11 O9 310.1398@5.4247503 5.4247503 310.1398 L-Glutamic acid dibutyl ester 735.4215@5.3178725 5.3178725 735.4215 224.1022@5.323 5.323 224.1022 164.084@5.335943 5.335943 164.084 182.0939@5.332656 5.332656 182.0939 C30 H51 N5 O3 S2 C27 H57 N11 O10 C15 H29 N O5 308.1236@5.446481 5.446481 308.1236 180.0806@5.3821054 5.3821054 180.0806 344.1392@5.5030637 5.5030637 344.1392 TIAPRIDE + 5.395146 C32 H63 N O3 S4 C16 H33 N S2 331.2347@5.507292 5.507292 331.2347 C10 H16 O5 391.7411@5.5815897 5.5815897 391.7411 284.1239@5.4883747 5.4883747 284.1239 C12 H23 N CEVADINE 328.1492@5.5512457 5.5512457 328.1492 339.2509@5.573189 5.573189 339.2509 301.1881@5.633711 5.633711 301.1881 413.7539@5.6670074 5.6670074 413.7539 328.1486@5.640329 5.640329 328.1486 871.5325@5.7521734 5.7521734 871.5325 145.0579@5.7432647 5.7432647 145.0579 273.1575@5.7454357 5.7454357 273.1575 273.1661@5.8229213 5.8229213 273.1661 473.286@5.8297524 5.8297524 473.286 292.1309@5.881494 5.881494 292.1309 328.1491@5.9016614 5.9016614 328.1491 303.2208@5.9072104 5.9072104 303.2208 C8 H18 O3 513.2557@5.960438 5.960438 513.2557 329.2179@5.9680867 5.9680867 329.2179 175.0625@5.9743743 5.9743743 175.0625 C6 H11 N S 237.1355@5.973862 5.973862 237.1355 259.1207@5.9747033 5.9747033 259.1207 328.1494@6.0146627 6.0146627 328.1494 431.1939@6.066683 6.066683 431.1939 C15 H27 N O4 197.1403@6.1019936 6.1019936 197.1403 Ritodrine glucuronide 2 463.1836@6.240152 6.240152 463.1836 227.1883@6.20445 6.20445 227.1883 C15 H27 N O4 + 6.215852 C6 H18 N6 O2 559.2983@6.031995 6.031995 559.2983 325.245@6.269851 6.269851 325.245 178.0996@6.288925 6.288925 178.0996 p-HYDROXYCINNAMALDEHYDE C9 H18 N2 O 499.2757@6.3968196 6.3968196 499.2757 329.2202@6.281094 6.281094 329.2202 569.3015@6.400777 6.400777 569.3015 368.1807@6.7150993 6.7150993 368.1807 592.3242@6.46911 6.46911 592.3242 C15 H27 N O4 + 6.4859066 590.3106@6.492414 6.492414 590.3106 Nadolol C12 H27 N 425.2609@6.60687 6.60687 425.2609 241.1473@6.6661186 6.6661186 241.1473 166.078@6.632969 6.632969 166.078 C40 H62 N2 O7 S2 18-Hydroxycorticosterone C20 H28 N8 O4 N-AcetylCilastatin 16a-Hydroxydydrogesterone glucoronide C21 H35 N3 O2 S2 C19 H32 N2 O2 S2 497.2502@6.6846867 6.6846867 497.2502 317.1832@6.665999 6.665999 317.1832 Phensuximide 517.2827@6.7146096 6.7146096 517.2827 469.2859@6.705684 6.705684 469.2859 20alpha-Dihydroprednisone 677.3203@6.723608 6.723608 677.3203 489.1995@6.741967 6.741967 489.1995 477.202@6.750838 6.750838 477.202 His Trp Gly 393.2141@6.773714 6.773714 393.2141 414.1444@6.7769294 6.7769294 414.1444 Nadolol + 6.797542 368.1824@6.838584 6.838584 368.1824 C28 H51 N O S3 166.0781@6.8134117 6.8134117 166.0781 255.1635@6.824858 6.824858 255.1635 C21 H33 N S C15 H29 N O4 C30 H55 N O2 S3 C15 H29 N3 O S C18 H37 N S2 12-amino-dodecanoic acid C32 H59 N O3 S3 212.1068@6.951748 6.951748 212.1068 292.1806@7.007646 7.007646 292.1806 C19 H26 O Procyclidine 921.0025@7.0125494 7.0125494 921.0025 412.1316@7.010499 7.010499 412.1316 562.3776@7.0109863 7.0109863 562.3776 312.1969@7.014 7.014 312.1969 467.2517@7.0263805 7.0263805 467.2517 271.1571@7.067734 7.067734 271.1571 958.9564@7.0479527 7.0479527 958.9564 355.237@7.362856 7.362856 355.237 C16 H31 N O4 329.2177@7.1068673 7.1068673 329.2177 958.957@7.1806226 7.1806226 958.957 C10 H29 N7 O2 S 427.269@7.195442 7.195442 427.269 C13 H28 O2 S 511.2596@7.2285695 7.2285695 511.2596 313.2256@7.296934 7.296934 313.2256 413.3076@7.2311983 7.2311983 413.3076 487.2733@7.2433677 7.2433677 487.2733 431.2996@7.398017 7.398017 431.2996 C16 H31 N O4 + 7.258164 333.1815@7.331057 7.331057 333.1815 301.2252@7.3219337 7.3219337 301.2252 C13 H23 N O2 C11 H27 N3 S2 281.1395@7.348 7.348 281.1395 C13 H25 N O3 508.3472@7.3479176 7.3479176 508.3472 591.3552@7.3432055 7.3432055 591.3552 625.3459@7.3573556 7.3573556 625.3459 470.1817@7.3650055 7.3650055 470.1817 C19 H31 N O 275.1373@7.3745456 7.3745456 275.1373 256.2171@7.392875 7.392875 256.2171 585.3522@7.4097824 7.4097824 585.3522 C17 H31 N O4 326.1384@7.493872 7.493872 326.1384 C17 H31 N O4 + 7.5186634 231.1821@7.5100203 7.5100203 231.1821 501.2896@7.5357084 7.5357084 501.2896 545.2772@7.52 7.52 545.2772 523.2687@7.536931 7.536931 523.2687 946.7738@7.527 7.527 946.7738 C16 H31 N O4 + 7.549249 156.1141@7.5326905 7.5326905 156.1141 541.3421@7.505199 7.505199 541.3421 235.1538@7.543083 7.543083 235.1538 213.1716@7.5379624 7.5379624 213.1716 428.2296@7.5543375 7.5543375 428.2296 346.2147@7.552223 7.552223 346.2147 196.1413@7.5360765 7.5360765 196.1413 368.1873@7.5467434 7.5467434 368.1873 488.241@7.5729156 7.5729156 488.241 316.1764@7.577413 7.577413 316.1764 C22 H33 N11 O2 639.3562@7.595899 7.595899 639.3562 Cholylglycine C17 H31 N O4 + 7.624707 326.1361@7.639233 7.639233 326.1361 357.2512@7.63605 7.63605 357.2512 156.1134@7.6399007 7.6399007 156.1134 441.3238@7.6966453 7.6966453 441.3238 321.1793@7.6923265 7.6923265 321.1793 VALERYL SALYCILATE 499.2851@7.7452374 7.7452374 499.2851 C23 H35 N S 557.284@7.7631116 7.7631116 557.284 PEUCENIN ISOSAFROLE 435.2271@8.013512 8.013512 435.2271 440.1816@7.8090153 7.8090153 440.1816 456.1581@7.810886 7.810886 456.1581 C17 H31 N O4 + 7.8514833 Bilirubin 606.2462@7.863351 7.863351 606.2462 628.2279@7.867 7.867 628.2279 533.3042@7.9753413 7.9753413 533.3042 415.3077@7.903291 7.903291 415.3077 PEUCENIN + 7.903765 162.0683@7.8989716 7.8989716 162.0683 499.2717@7.9492044 7.9492044 499.2717 533.3096@8.046306 8.046306 533.3096 C22 H42 Cl N11 O 275.1521@7.9800873 7.9800873 275.1521 253.1629@7.87663 7.87663 253.1629 C22 H42 Cl N11 O + 8.003237 619.392@8.088293 8.088293 619.392 551.2583@8.028611 8.028611 551.2583 347.1532@8.001228 8.001228 347.1532 331.1754@8.010941 8.010941 331.1754 533.307@8.095053 8.095053 533.307 C27 H49 N3 O2 S2 315.1844@8.22629 8.22629 315.1844 339.2396@8.147522 8.147522 339.2396 523.2417@8.107174 8.107174 523.2417 600.2581@8.128977 8.128977 600.2581 C17 H47 N11 O2 S3 C26 H45 N3 O7 359.2663@8.17465 8.17465 359.2663 781.1392@8.143 8.143 781.1392 762.3554@8.151 8.151 762.3554 C18 H33 N O4 228.1906@8.208282 8.208282 228.1906 619.3863@8.166 8.166 619.3863 C25 H43 N9 S2 C26 H45 N3 O7 + 8.183966 C17 H33 N O4 337.2229@8.114124 8.114124 337.2229 359.2669@8.185186 8.185186 359.2669 852.776@8.209 8.209 852.776 210.1608@8.213147 8.213147 210.1608 1-Hexadecylamine C11 H19 N7 Cys Pro Ile C13 H25 N O2 850.8871@8.276 8.276 850.8871 C28 H44 N14 O2 Meradimate Val Pro Thr 210.1608@8.26008 8.26008 210.1608 988.2665@8.310747 8.310747 988.2665 250.1726@8.273065 8.273065 250.1726 886.6459@8.292 8.292 886.6459 820.7695@8.294 8.294 820.7695 265.1492@8.2621155 8.2621155 265.1492 347.2303@8.270741 8.270741 347.2303 801.2042@8.328629 8.328629 801.2042 985.4907@8.29829 8.29829 985.4907 361.1755@8.303058 8.303058 361.1755 968.2482@8.598218 8.598218 968.2482 740.6158@8.32123 8.32123 740.6158 483.2764@8.346677 8.346677 483.2764 979.3698@8.335 8.335 979.3698 501.3044@8.341752 8.341752 501.3044 499.369@8.342984 8.342984 499.369 376.0514@8.345314 8.345314 376.0514 883.4617@8.348 8.348 883.4617 984.9016@8.349 8.349 984.9016 C20 H35 N11 981.9289@8.337257 8.337257 981.9289 Sulfamethazine Sulfaquinoxaline 336.1428@8.368448 8.368448 336.1428 C12 H33 N7 O2 S 584.2642@8.424436 8.424436 584.2642 449.3072@8.692185 8.692185 449.3072 600.2589@8.437 8.437 600.2589 790.3164@8.452 8.452 790.3164 869.2181@8.515703 8.515703 869.2181 C9 H19 N O C14 H34 Cl N5 O2 802.2755@8.485622 8.485622 802.2755 873.3642@8.525 8.525 873.3642 254.152@8.526487 8.526487 254.152 808.1883@8.532869 8.532869 808.1883 276.1345@8.524904 8.524904 276.1345 271.1837@8.5271845 8.5271845 271.1837 506.169@8.532052 8.532052 506.169 264.0761@8.533174 8.533174 264.0761 166.0777@8.482439 8.482439 166.0777 550.1328@8.530664 8.530664 550.1328 C18 H35 N O4 814.2064@8.530264 8.530264 814.2064 286.0578@8.533565 8.533565 286.0578 259.1269@8.535 8.535 259.1269 815.5022@8.567 8.567 815.5022 854.9997@8.572 8.572 854.9997 537.3438@8.596804 8.596804 537.3438 224.142@8.582697 8.582697 224.142 637.2962@8.586834 8.586834 637.2962 C16 H34 N2 O2 C19 H38 N2 O3 C17 H32 N8 O 315.1807@8.495364 8.495364 315.1807 329.2543@8.599654 8.599654 329.2543 858.9704@8.660562 8.660562 858.9704 592.3256@8.693887 8.693887 592.3256 C22 H37 N7 O2 471.2951@8.6285515 8.6285515 471.2951 C22 H35 N7 O 559.3257@8.613493 8.613493 559.3257 958.9574@8.741522 8.741522 958.9574 863.2475@8.677 8.677 863.2475 784.188@8.87855 8.87855 784.188 365.2578@8.731793 8.731793 365.2578 249.1708@8.669578 8.669578 249.1708 594.3396@8.71619 8.71619 594.3396 351.22@8.727 8.727 351.22 462.2257@8.731271 8.731271 462.2257 C26 H39 N O10 530.2129@8.732973 8.732973 530.2129 862.721@8.63754 8.63754 862.721 C19 H35 N O4 821.7068@8.971537 8.971537 821.7068 592.3214@8.746974 8.746974 592.3214 826.2124@8.773 8.773 826.2124 594.3385@8.814208 8.814208 594.3385 329.2557@8.820691 8.820691 329.2557 120.0436@8.827 8.827 120.0436 908.9998@8.827 8.827 908.9998 878.8355@8.829 8.829 878.8355 923.3348@8.834 8.834 923.3348 Glycodeoxycholate 493.277@8.712455 8.712455 493.277 431.3018@8.838587 8.838587 431.3018 471.2949@8.839049 8.839049 471.2949 924.0038@8.949571 8.949571 924.0038 897.3711@8.854 8.854 897.3711 385.2809@8.871597 8.871597 385.2809 935.8516@8.855 8.855 935.8516 919.5496@8.855 8.855 919.5496 857.5512@8.893701 8.893701 857.5512 C19 H35 N O4 + 8.797628 482.1954@8.866711 8.866711 482.1954 C29 H45 N O S Pentazocine trans acid 293.2076@8.872339 8.872339 293.2076 504.2686@8.881809 8.881809 504.2686 870.0391@8.85791 8.85791 870.0391 910.9195@8.892 8.892 910.9195 901.1965@8.892 8.892 901.1965 571.2083@8.952879 8.952879 571.2083 921.4759@8.901 8.901 921.4759 827.6217@8.942455 8.942455 827.6217 970.2825@8.908 8.908 970.2825 977.4135@8.932 8.932 977.4135 864.0052@8.933 8.933 864.0052 C19 H35 N O4 + 8.953693 752.0752@8.949 8.949 752.0752 863.6994@8.927975 8.927975 863.6994 830.1932@8.951 8.951 830.1932 557.4118@8.948205 8.948205 557.4118 865.8855@8.96 8.96 865.8855 785.0944@9.066778 9.066778 785.0944 977.8614@8.972 8.972 977.8614 828.9327@8.89849 8.89849 828.9327 859.7619@8.973 8.973 859.7619 859.5685@8.98 8.98 859.5685 280.1656@8.937965 8.937965 280.1656 10-hydroxy-8E-Decene-2,4,6-triynoic acid C8 H4 O3 222.0906@8.986021 8.986021 222.0906 921.0025@9.041425 9.041425 921.0025 681.3465@8.993002 8.993002 681.3465 659.3667@8.984867 8.984867 659.3667 122.0403@8.995647 8.995647 122.0403 C8 H17 Cl N4 O p-Coumaric acid 3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione 3-Hydroxy-4-methoxyphenylacetic acid cyclandelate C13 H14 O2 338.1492@8.997013 8.997013 338.1492 RETUSOQUINONE 442.3005@8.9990425 8.9990425 442.3005 500.3084@9.002797 9.002797 500.3084 875.2312@9.015 9.015 875.2312 385.2779@8.975176 8.975176 385.2779 436.1997@9.0496855 9.0496855 436.1997 784.1705@8.940487 8.940487 784.1705 864.9718@8.935196 8.935196 864.9718 787.7733@9.06357 9.06357 787.7733 873.1329@9.047 9.047 873.1329 728.2898@9.059316 9.059316 728.2898 912.3377@9.073 9.073 912.3377 865.1208@9.074 9.074 865.1208 877.7555@9.076 9.076 877.7555 825.3144@9.078 9.078 825.3144 561.3386@9.092015 9.092015 561.3386 C19 H35 N O4 + 9.0853195 C29 H53 N3 O2 S2 Ubiquinone 208.1135@9.097678 9.097678 208.1135 268.1323@9.097034 9.097034 268.1323 290.1132@9.096121 9.096121 290.1132 Cyclohexanone, 4-[1-hydroxy-1-phenyl-3-(1-pyrrolidinyl)propyl]- 827.5859@8.948269 8.948269 827.5859 910.7713@9.116 9.116 910.7713 924.8004@9.027576 9.027576 924.8004 377.2322@9.116638 9.116638 377.2322 334.2105@9.138065 9.138065 334.2105 462.227@9.127605 9.127605 462.227 427.1619@9.146259 9.146259 427.1619 348.1475@9.147319 9.147319 348.1475 901.2255@8.981729 8.981729 901.2255 Met Thr Gly C27 H44 O12 S PIPERINE C14 H17 N3 O4 S 549.2259@9.145787 9.145787 549.2259 571.2076@9.146363 9.146363 571.2076 343.192@9.167386 9.167386 343.192 791.0259@8.908517 8.908517 791.0259 828.9475@9.108116 9.108116 828.9475 622.3338@9.153575 9.153575 622.3338 C21 H24 365.2535@9.13009 9.13009 365.2535 343.2679@9.2451 9.2451 343.2679 832.8172@9.194 9.194 832.8172 methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate Biliverdin IX 326.0003@9.234747 9.234747 326.0003 C26 H28 O6 792.7528@9.1080475 9.1080475 792.7528 971.0005@9.08002 9.08002 971.0005 C29 H47 N O S 389.2519@9.301535 9.301535 389.2519 N-arachidonoyl D-serine C21 H37 N O4 PIPERINE + 9.30038 315.1814@9.401041 9.401041 315.1814 C20 H37 N O4 211.1921@9.318569 9.318569 211.1921 199.229@9.345844 9.345844 199.229 584.2656@9.35695 9.35695 584.2656 821.5924@9.367426 9.367426 821.5924 355.2709@9.3489685 9.3489685 355.2709 C16 H33 N O3 C15 H33 N O 343.1942@9.391747 9.391747 343.1942 307.1185@9.39057 9.39057 307.1185 PIPERINE + 9.393668 387.2964@9.399617 9.399617 387.2964 C15 H33 N7 O2 365.2535@9.493343 9.493343 365.2535 809.3651@9.472278 9.472278 809.3651 814.3241@9.47245 9.47245 814.3241 958.953@9.469774 9.469774 958.953 442.2268@9.507845 9.507845 442.2268 908.0405@9.51 9.51 908.0405 346.1628@9.512046 9.512046 346.1628 C17 H33 N7 O2 368.1486@9.515211 9.515211 368.1486 Tetradecylamine 958.956@9.714788 9.714788 958.956 Meradimate + 9.542891 543.3317@9.573468 9.573468 543.3317 alpha-Phenylcyclohexylglycolic acid 3-O-Methyldobutamine 386.1851@9.578676 9.578676 386.1851 C14 H32 O10 S2 Beclomethasone C21 H40 N4 S3 584.2637@9.476573 9.476573 584.2637 273.1735@9.656829 9.656829 273.1735 C14 H31 N O C15 H32 N8 S4 277.1999@9.606731 9.606731 277.1999 488.2396@9.616837 9.616837 488.2396 Lys Asp Trp Embelin C25 H44 Cl N3 O3 S 866.3618@9.674691 9.674691 866.3618 Arg Val Trp Ala Trp Arg 498.2544@9.677545 9.677545 498.2544 C26 H36 N2 O6 C29 H34 N4 O6 C22 H24 N6 O4 N-HISTIDYL-2-AMINONAPHTHALENE (betaNA) Met Lys His 850.3884@9.673842 9.673842 850.3884 C18 H28 N8 S3 C27 H31 N5 S C9 H10 C17 H23 N O2 88.0536@9.738868 9.738868 88.0536 C12 H26 O3 C10 H20 N6 O 3-O-Methyldobutamine + 9.71352 483.3568@9.78952 9.78952 483.3568 Meradimate + 9.780986 467.3004@9.790637 9.790637 467.3004 313.149@9.784579 9.784579 313.149 C16 H35 N7 O2 963.5741@9.776172 9.776172 963.5741 919.5497@9.786049 9.786049 919.5497 875.5229@9.781723 9.781723 875.5229 C17 H33 Cl N6 S3 895.4009@9.836259 9.836259 895.4009 900.3559@9.836274 9.836274 900.3559 831.4976@9.813375 9.813375 831.4976 370.3066@9.924644 9.924644 370.3066 787.4706@9.831868 9.831868 787.4706 958.957@9.863677 9.863677 958.957 C34 H57 N11 O S2 C12 H23 N O C22 H32 N2 O3 S2 C24 H33 Cl O2 S2 C29 H47 N3 O S2 C16 H39 N7 O2 S 379.2481@9.903796 9.903796 379.2481 C24 H39 N O12 574.2774@9.919139 9.919139 574.2774 C30 H34 O7 S C31 H47 N3 O S2 563.3035@10.052771 10.052771 563.3035 602.2851@9.936787 9.936787 602.2851 584.2624@9.953718 9.953718 584.2624 C21 H39 N O4 Mifepristone (RU 486) C14 H27 N7 O C14 H35 N9 O C30 H60 N8 O4 C16 H33 N O3 + 9.9606695 422.281@9.96139 9.96139 422.281 Leu Pro Pro 340.1506@9.967004 9.967004 340.1506 318.1712@9.970331 9.970331 318.1712 426.2935@9.967476 9.967476 426.2935 627.1757@9.997318 9.997318 627.1757 2-Amino-3-methyl-1-butanol Buprenorphine C18 H43 N5 O8 S 737.3519@10.046425 10.046425 737.3519 C22 H25 Cl N8 499.2699@10.045403 10.045403 499.2699 369.2882@10.024127 10.024127 369.2882 456.2502@10.062964 10.062964 456.2502 C21 H43 N9 O4 S C27 H33 N13 dodecanamide 2-Amino-3-methyl-1-butanol + 10.085568 C31 H39 N7 O2 579.2736@10.091431 10.091431 579.2736 C32 H41 N3 O6 C18 H28 N8 S3 + 10.029748 C30 H28 O S Met Lys His + 9.989336 472.2566@9.819386 9.819386 472.2566 511.3261@10.113091 10.113091 511.3261 C20 H16 O5 15-methyl-15S-PGD2 C27 H47 N3 O S2 N-Desethyloxybutynin C20 H39 N7 O2 986.3926@10.158584 10.158584 986.3926 981.4413@10.15265 10.15265 981.4413 238.1339@10.170765 10.170765 238.1339 331.2696@10.101932 10.101932 331.2696 Linolenoyl lysolecithin C30 H41 N3 O6 C17 H31 N O3 S 485.3692@10.271723 10.271723 485.3692 C12 H37 N13 S 103.0993@10.27958 10.27958 103.0993 C26 H45 N3 O7 + 10.2695875 C28 H43 N3 O7 C18 H31 N7 O3 371.267@10.292503 10.292503 371.267 C22 H35 N5 232.1778@10.290613 10.290613 232.1778 C17 H29 N O3 C26 H33 N15 O4 C24 H24 N20 O2 Allotetrahydrocortisol 543.3343@10.312093 10.312093 543.3343 cyclandelate + 10.333184 409.2272@10.174288 10.174288 409.2272 371.2673@10.35662 10.35662 371.2673 C19 H43 N9 O4 S 2-Amino-3-methyl-1-butanol + 10.351037 C20 H45 N5 O8 S 393.2488@10.3498955 10.3498955 393.2488 583.2881@10.34544 10.34544 583.2881 531.2737@10.344663 10.344663 531.2737 429.3185@10.357215 10.357215 429.3185 C17 H31 N O3 S + 10.334952 C14 H31 N11 363.2412@10.433318 10.433318 363.2412 C26 H47 N3 O S2 371.2679@10.455998 10.455998 371.2679 393.2488@10.460305 10.460305 393.2488 515.2978@10.392252 10.392252 515.2978 C27 H39 N7 O2 525.2849@10.4388685 10.4388685 525.2849 15-methyl-15S-PGD2 + 10.410704 454.1796@10.469 10.469 454.1796 Arg Phe Arg C33 H41 N7 O2 589.3157@10.49522 10.49522 589.3157 515.2984@10.473301 10.473301 515.2984 C26 H47 N3 O S2 + 10.473811 Fexofenadine 523.2769@10.50638 10.50638 523.2769 C27 H39 N7 O2 + 10.469817 489.3403@10.73931 10.73931 489.3403 515.2972@10.556879 10.556879 515.2972 C30 H43 N3 O6 C22 H41 N13 S C29 H43 N11 S2 C26 H47 N5 O2 S3 577.3841@10.533258 10.533258 577.3841 2-Amino-3-methyl-1-butanol + 10.517659 677.2897@10.541206 10.541206 677.2897 581.2891@10.592472 10.592472 581.2891 C25 H51 N5 O3 S3 Arachidonyl lysolecithin ABSCISIC ACID (cis,trans) 304.1316@10.529269 10.529269 304.1316 15-methyl-15S-PGD2 + 10.565441 C26 H43 N3 O6 368.343@10.342331 10.342331 368.343 547.2675@10.593564 10.593564 547.2675 C30 H35 N7 O2 363.2415@10.542798 10.542798 363.2415 958.9574@10.530145 10.530145 958.9574 421.3185@10.638345 10.638345 421.3185 C17 H37 N7 O2 368.3435@10.734409 10.734409 368.3435 2-Amino-3-methyl-1-butanol + 10.61672 C33 H41 N7 O2 + 10.615137 657.3007@10.635494 10.635494 657.3007 C30 H39 N9 O4 C30 H55 N O S5 GPEtn(18:0/0:0) 503.2969@10.65276 10.65276 503.2969 dodecanamide + 10.644595 545.25@10.672174 10.672174 545.25 Fexofenadine + 10.656503 C25 H34 Cl N11 515.3@10.618526 10.618526 515.3 521.2518@10.684553 10.684553 521.2518 724.5476@10.690945 10.690945 724.5476 C27 H39 N7 O2 + 10.642035 299.2807@10.726301 10.726301 299.2807 368.3434@10.757361 10.757361 368.3434 Arg Phe Arg + 10.675178 321.2591@10.693614 10.693614 321.2591 C24 H29 N13 C18 H33 N O3 S 701.2867@10.707452 10.707452 701.2867 276.2029@11.055683 11.055683 276.2029 C27 H43 N5 O7 S 913.4859@10.694553 10.694553 913.4859 C31 H47 N5 O5 S2 C24 H47 N5 O8 S C14 H31 N7 O2 601.384@10.715061 10.715061 601.384 899.5171@10.715 10.715 899.5171 2-Amino-3-methyl-1-butanol + 10.7055645 891.4998@10.695483 10.695483 891.4998 Arachidonyl lysolecithin + 10.70548 909.4231@10.721774 10.721774 909.4231 507.3305@10.854717 10.854717 507.3305 875.5262@11.11956 11.11956 875.5262 C36 H70 O S4 545.0466@10.73 10.73 545.0466 527.3108@10.962932 10.962932 527.3108 501.2999@10.722638 10.722638 501.2999 C26 H58 N10 O5 S 436.3626@10.731808 10.731808 436.3626 C33 H45 N O4 868.9742@10.742458 10.742458 868.9742 889.4866@10.7315235 10.7315235 889.4866 867.5051@10.729023 10.729023 867.5051 C16 H35 N19 O3 C31 H47 N9 O2 421.3212@10.679631 10.679631 421.3212 C29 H39 N9 O6 603.2871@10.730727 10.730727 603.2871 C25 H43 N5 O7 S C15 H29 N O3 C31 H51 N O11 S2 653.327@10.744764 10.744764 653.327 C40 H34 N8 2-Amino-3-methyl-1-butanol + 10.748854 281.2708@10.793545 10.793545 281.2708 1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-dihydroxy-24-oxocholecalciferol 591.329@10.927792 10.927792 591.329 C33 H51 N3 O S2 C10 H29 N7 O6 348.0518@10.807464 10.807464 348.0518 C20 H10 N2 O3 C21 H37 N C37 H47 N5 O7 S C30 H50 N2 O13 S2 C16 H39 N9 337.2372@10.996227 10.996227 337.2372 N-(2-hydroxyethyl)palmitamide 281.2703@10.807774 10.807774 281.2703 369.3463@10.764631 10.764631 369.3463 C15 H35 N3 O4 493.3173@10.72782 10.72782 493.3173 12,13-dihydroxy-11-methoxy-9-octadecenoic acid 220.1446@10.845982 10.845982 220.1446 1-Hexadecylamine + 10.711269 477.2871@10.836214 10.836214 477.2871 C19 H37 N5 O3 S C16 H35 N O 288.1474@10.891787 10.891787 288.1474 PRACTOLOL 324.2182@10.901224 10.901224 324.2182 633.4423@10.89666 10.89666 633.4423 C27 H49 N3 O S3 C21 H41 N S2 393.2499@10.885754 10.885754 393.2499 C23 H43 N O4 369.3467@11.096769 11.096769 369.3467 C28 H45 N3 O6 C22 H47 N5 O8 S N-(2-hydroxyethyl)palmitamide + 10.900234 Oleoyl amine C15 H35 N3 O4 + 10.849765 337.2372@10.879772 10.879772 337.2372 921.0025@10.953478 10.953478 921.0025 357.3335@10.9201765 10.9201765 357.3335 103.0995@10.917492 10.917492 103.0995 454.3238@10.914817 10.914817 454.3238 529.3163@10.948736 10.948736 529.3163 C28 H41 N7 O2 436.3075@11.09964 11.09964 436.3075 C33 H43 N7 O2 C35 H49 N3 O S2 C18 H33 N O3 S + 10.928928 C31 H50 Cl N O6 C31 H43 N7 O2 453.285@11.072819 11.072819 453.285 238.149@10.967046 10.967046 238.149 702.5657@10.964548 10.964548 702.5657 382.1597@10.966217 10.966217 382.1597 418.2366@10.980068 10.980068 418.2366 360.1791@10.965103 10.965103 360.1791 PRACTOLOL + 10.951184 C19 H39 N7 O2 995.4544@10.988637 10.988637 995.4544 393.2495@10.901585 10.901585 393.2495 C21 H41 N5 O4 S 403.3776@11.118682 11.118682 403.3776 C24 H42 N2 S4 497.5441@11.014 11.014 497.5441 183.066@10.958363 10.958363 183.066 505.353@11.022809 11.022809 505.353 477.3243@11.147234 11.147234 477.3243 553.3843@11.0203 11.0203 553.3843 C20 H41 N13 S 521.3335@10.968173 10.968173 521.3335 C24 H47 N5 O2 S3 865.4911@11.249132 11.249132 865.4911 C27 H47 N5 O5 S2 C20 H47 N5 O8 S 764.9818@11.219825 11.219825 764.9818 653.2911@11.028658 11.028658 653.2911 2-Amino-3-methyl-1-butanol + 11.012477 571.3297@11.011326 11.011326 571.3297 C10 H23 Cl N4 357.3334@11.019675 11.019675 357.3334 366.238@10.974841 10.974841 366.238 Oleoyl amine + 11.019689 C16 H31 N7 337.237@10.96209 10.96209 337.237 545.3481@11.110961 11.110961 545.3481 N-(2-hydroxyethyl)palmitamide + 11.029883 704.5722@11.134517 11.134517 704.5722 627.5286@11.057436 11.057436 627.5286 C20 H33 N O4 C34 H46 N4 O7 S C14 H31 N7 O2 + 11.229556 C26 H49 N O S 471.3372@11.096991 11.096991 471.3372 672.5181@11.03541 11.03541 672.5181 530.254@11.098092 11.098092 530.254 729.5788@11.101 11.101 729.5788 C29 H45 N O4 S 357.2843@11.111997 11.111997 357.2843 C21 H48 N4 S2 429.3206@11.115256 11.115256 429.3206 371.2687@11.006851 11.006851 371.2687 569.3477@11.13831 11.13831 569.3477 674.5252@11.127338 11.127338 674.5252 454.3258@11.044146 11.044146 454.3258 791.3522@11.137276 11.137276 791.3522 796.3106@11.135826 11.135826 796.3106 2-Amino-3-methyl-1-butanol + 11.133931 436.3183@11.137667 11.137667 436.3183 635.3166@11.146775 11.146775 635.3166 C32 H45 N3 O6 C25 H53 N5 O2 S4 C24 H43 N13 S C14 H33 N7 O 2-Amino-3-methyl-1-butanol + 11.151311 C28 H53 N O2 S 590.3094@11.169 11.169 590.3094 C16 H39 N9 + 11.153758 N-(2-hydroxyethyl)palmitamide + 11.126383 C15 H35 N3 O4 + 11.070637 Oleoyl amine + 11.148188 C11 H31 N9 O S 757.5617@11.33816 11.33816 757.5617 C37 H72 N4 O S 368.3433@11.163387 11.163387 368.3433 783.5776@11.490366 11.490366 783.5776 941.5319@11.264971 11.264971 941.5319 751.559@11.211358 11.211358 751.559 627.5304@11.183932 11.183932 627.5304 726.5619@11.205 11.205 726.5619 475.2693@11.20833 11.20833 475.2693 GPEtn(16:0/0:0) C22 H40 N2 O S2 PGF2alpha isopropyl ester 390.2756@11.240971 11.240971 390.2756 672.5185@11.234373 11.234373 672.5185 527.3028@11.214038 11.214038 527.3028 758.5672@11.215 11.215 758.5672 748.5384@11.282777 11.282777 748.5384 C30 H57 N O3 S 591.3516@11.214363 11.214363 591.3516 728.5815@11.434072 11.434072 728.5815 567.3293@11.253306 11.253306 567.3293 2-Amino-3-methyl-1-butanol + 11.254089 971.637@11.230618 11.230618 971.637 C31 H51 N3 O S2 543.3316@11.176796 11.176796 543.3316 653.289@11.262483 11.262483 653.289 585.3012@11.258398 11.258398 585.3012 C24 H47 N5 O2 S3 + 11.209063 553.3851@11.257449 11.257449 553.3851 GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C24 H43 N9 O4 C25 H45 N O4 C24:1-OH Sulfatide C32 H47 N3 O6 499.0562@11.262814 11.262814 499.0562 996.6686@11.260131 11.260131 996.6686 C29 H48 Cl N S 992.3002@11.261087 11.261087 992.3002 994.0876@11.263 11.263 994.0876 C31 H45 N O4 C29 H57 N5 O3 S C32 H54 N8 O3 206.1984@11.226451 11.226451 206.1984 479.3033@11.359754 11.359754 479.3033 886.671@11.264261 11.264261 886.671 Linolenoyl lysolecithin + 11.245934 756.9941@11.253304 11.253304 756.9941 519.0192@11.276 11.276 519.0192 883.5867@11.2757225 11.2757225 883.5867 553.3848@11.264495 11.264495 553.3848 857.5227@11.257662 11.257662 857.5227 C23 H43 N5 O7 S 585.3009@11.269262 11.269262 585.3009 592.3342@11.292429 11.292429 592.3342 653.2894@11.246953 11.246953 653.2894 979.5855@11.314986 11.314986 979.5855 GPGro(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 879.5032@11.25348 11.25348 879.5032 2-Amino-3-methyl-1-butanol + 11.316804 Gemeprost C20 H37 N O5 C28 H47 N3 O6 579.4008@11.336158 11.336158 579.4008 C22 H20 O5 C26 H43 N3 S C22 H49 N5 O8 S 547.342@11.389711 11.389711 547.342 559.3059@11.328405 11.328405 559.3059 C36 H69 N O6 S 627.5308@11.321 11.321 627.5308 795.5359@11.316063 11.316063 795.5359 672.5198@11.40091 11.40091 672.5198 935.5588@11.342091 11.342091 935.5588 142.0253@11.3303795 11.3303795 142.0253 C20 H43 N3 O2 C28 H49 N3 O S2 Oleoyl amine + 11.303992 C37 H72 N4 O S + 11.288192 N-(2-hydroxyethyl)palmitamide + 11.2943125 Anandamide (18:3, n-6) 120.0436@11.095097 11.095097 120.0436 711.5376@11.33267 11.33267 711.5376 337.2371@11.309736 11.309736 337.2371 434.3062@11.283723 11.283723 434.3062 751.5098@11.347566 11.347566 751.5098 Ivermectin B1a 942.9824@11.108348 11.108348 942.9824 729.5829@11.294737 11.294737 729.5829 412.2585@11.283434 11.283434 412.2585 403.3762@11.281951 11.281951 403.3762 RETUSOQUINONE + 11.358456 C36 H69 N O12 847.5105@11.3839855 11.3839855 847.5105 cyclandelate + 11.35672 2-ISOPROPYL-3-METHOXYCINNAMIC ACID C13 H14 O2 + 11.356725 C18 H41 N3 O2 337.2562@11.375298 11.375298 337.2562 Pro Pro Phe 595.3629@11.370463 11.370463 595.3629 315.2763@11.386737 11.386737 315.2763 627.5296@11.311897 11.311897 627.5296 979.5842@11.343292 11.343292 979.5842 672.5193@11.422007 11.422007 672.5193 ISOSAFROLE + 11.335749 C18 H16 N6 O3 400.2037@11.37532 11.37532 400.2037 533.293@11.077583 11.077583 533.293 (23R,25S)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / (23R,25S)-1alpha,25-dihydroxycholecalciferol C30 H61 N7 O9 PGF2alpha isopropyl ester + 11.351006 C14 H30 O3 (1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid 263.2447@11.391349 11.391349 263.2447 803.4951@11.455827 11.455827 803.4951 440.2896@11.28164 11.28164 440.2896 321.2634@11.370975 11.370975 321.2634 726.5605@11.372055 11.372055 726.5605 C30 H57 N3 O S3 877.391@11.409171 11.409171 877.391 450.3314@11.505688 11.505688 450.3314 935.5589@11.357282 11.357282 935.5589 C16 H34 O4 C32 H61 N O10 370.3483@11.284851 11.284851 370.3483 942.9825@11.273843 11.273843 942.9825 Ivermectin B1a + 11.394018 Dihydrosphingosine 492.3482@11.489599 11.489599 492.3482 Gemeprost + 11.412178 470.3698@11.436932 11.436932 470.3698 354.2739@11.489119 11.489119 354.2739 347.2489@11.537956 11.537956 347.2489 C30 H57 N O9 403.379@11.408387 11.408387 403.379 430.3397@11.442991 11.442991 430.3397 567.3298@11.373385 11.373385 567.3298 C15 H38 Cl N11 545.3469@11.435094 11.435094 545.3469 751.5434@11.449 11.449 751.5434 547.3692@11.654378 11.654378 547.3692 349.2914@11.659567 11.659567 349.2914 C16 H31 N O3 908.5332@11.271009 11.271009 908.5332 626.5261@11.301555 11.301555 626.5261 847.5082@11.413545 11.413545 847.5082 412.2582@11.5081 11.5081 412.2582 C26 H44 N2 O4 672.5177@11.675419 11.675419 672.5177 598.2813@11.464175 11.464175 598.2813 C18 H45 N17 S Fexofenadine + 11.475676 GPEtn(18:1(9Z)/0:0) 347.2501@11.533622 11.533622 347.2501 Tacrolimus 390.2772@11.584192 11.584192 390.2772 592.3255@11.484 11.484 592.3255 C26 H49 N O7 316.2005@11.47096 11.47096 316.2005 614.3111@11.487 11.487 614.3111 509.3466@11.555807 11.555807 509.3466 C26 H48 S3 887.5591@11.401583 11.401583 887.5591 C23 H36 N2 O S2 C24 H45 N O6 C18 H37 N7 O3 C21 H33 N5 His Val Arg 561.3257@11.501826 11.501826 561.3257 357.3303@11.487012 11.487012 357.3303 Gemeprost + 11.486941 C15 H35 N3 O4 + 11.492017 C29 H53 N3 O2 S2 + 11.506357 20alpha-Dihydroprednisolone 430.3379@11.552584 11.552584 430.3379 299.2807@11.449648 11.449648 299.2807 729.5818@11.545243 11.545243 729.5818 Oleoyl amine + 11.436401 759.4564@11.480922 11.480922 759.4564 C25 H40 S 627.529@11.5596485 11.5596485 627.529 148.0155@11.562459 11.562459 148.0155 C7 H6 582.319@11.52898 11.52898 582.319 BENZYLBUTYLPHTHALATE 590.3119@11.529 11.529 590.3119 844.6391@11.584455 11.584455 844.6391 C17 H14 N6 O2 525.537@11.529 11.529 525.537 628.3071@11.532255 11.532255 628.3071 C28 H46 Cl N5 O 655.3413@11.532874 11.532874 655.3413 C28 H45 N5 O10 707.4799@11.510698 11.510698 707.4799 529.3207@11.494192 11.494192 529.3207 624.4467@11.528559 11.528559 624.4467 C18 H43 N13 O5 2-Amino-3-methyl-1-butanol + 11.528235 C23 H45 N9 O4 S C25 H53 N O6 S3 C31 H53 N O11 S2 544.8886@11.533 11.533 544.8886 883.5564@11.530402 11.530402 883.5564 905.5196@11.52223 11.52223 905.5196 525.7006@11.534 11.534 525.7006 C23 H53 N11 O4 S 522.8934@11.534 11.534 522.8934 601.2957@11.533398 11.533398 601.2957 847.6042@11.600401 11.600401 847.6042 C33 H61 N7 O8 S 841.622@11.430379 11.430379 841.622 747.2915@11.5323105 11.5323105 747.2915 253.2354@11.54 11.54 253.2354 544.7249@11.541 11.541 544.7249 437.2914@11.546136 11.546136 437.2914 C38 H57 N O9 C34 H65 N O11 470.3671@11.571983 11.571983 470.3671 449.334@11.506611 11.506611 449.334 C35 H51 N3 O S2 370.352@11.788466 11.788466 370.352 C33 H45 N7 O2 C12 H29 N7 C13 H28 N6 908.5383@11.520894 11.520894 908.5383 C23 H41 N 413.2615@11.526082 11.526082 413.2615 403.376@11.49852 11.49852 403.376 Gemeprost + 11.5606575 569.3307@11.581902 11.581902 569.3307 C31 H53 N3 O S2 C26 H45 N3 O5 C27 H48 Cl N O5 517.3154@11.187544 11.187544 517.3154 724.5477@11.198173 11.198173 724.5477 C35 H53 N5 S C26 H47 N3 O5 C32 H45 N3 S 369.3468@11.491707 11.491707 369.3468 449.3382@11.578249 11.578249 449.3382 619.4273@11.601029 11.601029 619.4273 413.2617@11.662531 11.662531 413.2617 559.3051@11.632412 11.632412 559.3051 611.319@11.546909 11.546909 611.319 C30 H45 N3 O6 674.535@11.624509 11.624509 674.535 C22 H43 N13 S 598.2839@11.557868 11.557868 598.2839 487.3502@11.695538 11.695538 487.3502 PGF2alpha isopropyl ester + 11.698368 531.3389@11.71598 11.71598 531.3389 C28 H43 N7 O2 Gemeprost + 11.649413 430.3374@11.566649 11.566649 430.3374 403.3766@11.710362 11.710362 403.3766 336.2048@11.728078 11.728078 336.2048 C39 H66 N2 S4 Phthalic acid Mono-2-ethylhexyl Ester C8 H4 O3 + 11.663287 Phthalic acid Mono-2-ethylhexyl Ester + 11.67471 LEVULINIC ACID, 3-BENZYLIDENYL- Zopiclone 660.3468@11.691779 11.691779 660.3468 628.5311@11.687275 11.687275 628.5311 286.1419@11.689976 11.689976 286.1419 405.2691@11.878292 11.878292 405.2691 258.1471@11.69506 11.69506 258.1471 377.2418@11.6921 11.6921 377.2418 742.4102@11.696123 11.696123 742.4102 398.1719@11.695409 11.695409 398.1719 360.2143@11.692266 11.692266 360.2143 382.1965@11.692534 11.692534 382.1965 418.2683@11.704959 11.704959 418.2683 480.2598@11.695791 11.695791 480.2598 184.0737@11.694619 11.694619 184.0737 674.534@11.605364 11.605364 674.534 653.4123@11.716566 11.716566 653.4123 702.5664@11.631417 11.631417 702.5664 Estradiol 703.0021@11.833357 11.833357 703.0021 368.3438@11.557455 11.557455 368.3438 412.2582@11.66155 11.66155 412.2582 C28 H43 N7 O2 + 11.727325 448.3293@11.588668 11.588668 448.3293 531.3345@11.730467 11.730467 531.3345 748.5297@11.842344 11.842344 748.5297 887.5602@11.91069 11.91069 887.5602 C39 H66 N2 S4 + 11.708782 C14 H24 N2 S3 908.5391@11.899259 11.899259 908.5391 420.1814@11.74063 11.74063 420.1814 Phthalic acid Mono-2-ethylhexyl Ester + 11.739214 C8 H4 O3 + 11.746618 C34 H42 O8 LEVULINIC ACID, 3-BENZYLIDENYL- + 11.726488 Phthalic acid Mono-2-ethylhexyl Ester + 11.737526 C19 H24 N6 704.5727@11.703511 11.703511 704.5727 674.5256@11.680288 11.680288 674.5256 626.5257@11.806668 11.806668 626.5257 282.2552@11.879692 11.879692 282.2552 521.3469@11.798114 11.798114 521.3469 Gemeprost + 11.766222 C23 H45 N O4 C19 H35 N O3 S 421.3165@11.771013 11.771013 421.3165 C26 H34 O4 394.2686@11.7931795 11.7931795 394.2686 463.318@11.795499 11.795499 463.318 747.5302@11.68078 11.68078 747.5302 C33 H51 N3 O S2 + 11.796399 C30 H49 N3 O6 729.5817@11.720789 11.720789 729.5817 368.3437@12.147088 12.147088 368.3437 887.5521@12.344402 12.344402 887.5521 C19 H35 N O3 S + 11.469758 C16 H37 N7 O 909.5426@11.825387 11.825387 909.5426 C28 H48 Cl N5 O 627.5283@11.951866 11.951866 627.5283 597.3766@11.825918 11.825918 597.3766 C21 H49 N9 O3 S C30 H47 N3 O5 674.5329@12.172674 12.172674 674.5329 590.3948@11.865591 11.865591 590.3948 103.0996@11.737422 11.737422 103.0996 357.2369@11.537971 11.537971 357.2369 C23 H41 N + 11.893916 548.3564@11.700528 11.700528 548.3564 567.3979@11.88791 11.88791 567.3979 C21 H43 N13 S C29 H45 N3 O6 299.28@11.872688 11.872688 299.28 724.5477@11.533512 11.533512 724.5477 789.5685@11.653137 11.653137 789.5685 843.639@11.83535 11.83535 843.639 757.5626@11.99298 11.99298 757.5626 512.3539@11.906526 11.906526 512.3539 767.581@11.903151 11.903151 767.581 805.5584@11.556466 11.556466 805.5584 815.5847@11.66166 11.66166 815.5847 390.2772@11.761289 11.761289 390.2772 779.5436@11.86248 11.86248 779.5436 547.3551@11.822655 11.822655 547.3551 729.5818@11.916776 11.916776 729.5818 372.2895@11.752633 11.752633 372.2895 370.3099@12.049612 12.049612 370.3099 430.3397@11.91774 11.91774 430.3397 Gemeprost + 11.914792 C23 H47 N O4 412.2589@12.061721 12.061721 412.2589 C22 H31 N5 O2 C14 H24 O3 941.6246@11.926822 11.926822 941.6246 392.2906@12.04306 12.04306 392.2906 5-methyl-tetradecanedioic acid C15 H31 N O4 C11 H18 O3 905.6613@12.055535 12.055535 905.6613 Embelin + 11.928356 438.2633@12.42836 12.42836 438.2633 897.5998@11.936414 11.936414 897.5998 300.1345@11.923022 11.923022 300.1345 309.3012@11.975796 11.975796 309.3012 281.2703@11.692468 11.692468 281.2703 GPIns(16:0/18:1(9Z)) 385.3338@11.986642 11.986642 385.3338 349.265@11.9846115 11.9846115 349.265 327.2781@11.993886 11.993886 327.2781 475.3552@11.981537 11.981537 475.3552 447.3285@12.43051 12.43051 447.3285 C25 H47 N O4 C36 H71 N O S3 810.5982@11.821633 11.821633 810.5982 729.5814@12.007 12.007 729.5814 493.3526@11.990152 11.990152 493.3526 232.181@11.765784 11.765784 232.181 507.3669@12.014646 12.014646 507.3669 C34 H59 N5 O S Gemeprost + 11.990591 574.494@12.350919 12.350919 574.494 383.3036@12.017897 12.017897 383.3036 529.3544@11.919315 11.919315 529.3544 791.5602@11.95142 11.95142 791.5602 281.2709@11.990051 11.990051 281.2709 349.2639@12.02952 12.02952 349.2639 25-azavitamin D3 / 25-azacholecalciferol 309.3008@12.067707 12.067707 309.3008 327.2792@12.025463 12.025463 327.2792 GPEtn(18:1(9Z)/18:1(9Z))[U] C31 H59 N O4 S 495.3413@12.398874 12.398874 495.3413 421.2913@12.032887 12.032887 421.2913 409.3182@12.066895 12.066895 409.3182 535.3654@12.078333 12.078333 535.3654 C37 H71 N O12 288.23@12.070748 12.070748 288.23 C29 H55 N O3 S C12 H31 N7 O2 13(S)-HpOTrE(gamma) 335.3016@12.072353 12.072353 335.3016 729.5813@12.096746 12.096746 729.5813 Gemeprost + 12.058225 523.3638@12.050119 12.050119 523.3638 25-azavitamin D3 / 25-azacholecalciferol + 12.081983 C35 H67 N O11 365.2353@12.168069 12.168069 365.2353 281.2704@12.066592 12.066592 281.2704 C21 H35 N O3 C19 H37 N O3 C21 H43 N7 O2 C15 H32 O3 C11 H31 N7 O 535.3657@12.114415 12.114415 535.3657 C33 H63 N O10 365.2703@12.131045 12.131045 365.2703 685.4594@12.105729 12.105729 685.4594 C20 H39 N O 390.2761@12.179471 12.179471 390.2761 C19 H41 N 227.2168@12.139707 12.139707 227.2168 665.4254@12.141483 12.141483 665.4254 296.23@12.018611 12.018611 296.23 497.3717@12.153459 12.153459 497.3717 C31 H59 N O9 798.6305@12.321558 12.321558 798.6305 C24 H41 N3 506.3542@12.409647 12.409647 506.3542 C33 H55 N O3 S 487.3243@12.158584 12.158584 487.3243 C21 H43 N3 O3 349.2608@12.187635 12.187635 349.2608 767.58@12.272309 12.272309 767.58 795.5901@12.248898 12.248898 795.5901 C19 H37 N O3 + 12.189693 281.271@12.172337 12.172337 281.271 365.2369@12.216842 12.216842 365.2369 394.3275@12.617619 12.617619 394.3275 481.3198@12.230056 12.230056 481.3198 451.3601@12.203927 12.203927 451.3601 493.3531@12.190136 12.190136 493.3531 322.2463@11.9235525 11.9235525 322.2463 349.2602@12.260587 12.260587 349.2602 C24 H51 N7 S2 296.2321@12.074094 12.074094 296.2321 C37 H67 N5 O2 S2 535.3668@12.229654 12.229654 535.3668 trans-3-Hydroxycotinine glucuronide 338.2888@12.227701 12.227701 338.2888 C26 H51 N O S2 426.173@12.205124 12.205124 426.173 815.5823@12.232965 12.232965 815.5823 222.1598@12.180715 12.180715 222.1598 17a-Hydroxyprogesterone 369.2893@12.245122 12.245122 369.2893 506.3495@12.177438 12.177438 506.3495 561.317@12.248079 12.248079 561.317 841.6233@11.90937 11.90937 841.6233 805.5608@12.039948 12.039948 805.5608 613.3324@12.252674 12.252674 613.3324 545.3496@12.257755 12.257755 545.3496 C22 H45 N13 S 549.3648@12.359275 12.359275 549.3648 527.3748@11.891573 11.891573 527.3748 2-Amino-3-methyl-1-butanol + 12.160485 581.4145@12.304206 12.304206 581.4145 724.5476@12.206234 12.206234 724.5476 495.3592@12.25616 12.25616 495.3592 309.3019@12.227795 12.227795 309.3019 C38 H59 N5 O S 728.5806@12.002822 12.002822 728.5806 531.3613@12.245388 12.245388 531.3613 345.2681@11.94729 11.94729 345.2681 394.271@12.296964 12.296964 394.271 729.5816@12.297 12.297 729.5816 676.5369@12.3414755 12.3414755 676.5369 C19 H37 N O3 + 12.297329 349.26@12.38536 12.38536 349.26 Oleoyl amine + 12.276432 C21 H43 N3 O3 + 12.269461 365.2346@12.325542 12.325542 365.2346 464.3471@12.432633 12.432633 464.3471 375.3113@12.483209 12.483209 375.3113 C31 H56 N2 O2 S 8R-hydroxy-9Z-octadecenoic acid C23 H53 N5 O6 758.5673@12.260195 12.260195 758.5673 841.6217@12.536554 12.536554 841.6217 728.5816@12.405215 12.405215 728.5816 889.5303@12.6027355 12.6027355 889.5303 803.5434@12.1297865 12.1297865 803.5434 867.6265@12.543495 12.543495 867.6265 895.5297@12.520861 12.520861 895.5297 871.5294@12.466914 12.466914 871.5294 769.5825@12.372 12.372 769.5825 839.6132@12.393017 12.393017 839.6132 C32 H61 N O3 S 381.2892@12.337918 12.337918 381.2892 519.3112@12.418 12.418 519.3112 517.3226@12.42 12.42 517.3226 531.3794@12.301136 12.301136 531.3794 492.1949@12.4169855 12.4169855 492.1949 433.2679@12.418352 12.418352 433.2679 202.0846@12.411646 12.411646 202.0846 156.0059@12.416938 12.416938 156.0059 272.09@12.416255 12.416255 272.09 110.0003@12.410102 12.410102 110.0003 C28 H51 N7 O2 S 464.3437@12.601271 12.601271 464.3437 826.4367@12.416332 12.416332 826.4367 258.1463@12.416294 12.416294 258.1463 328.1519@12.41714 12.41714 328.1519 Val Val Trp 128.0109@12.416027 12.416027 128.0109 360.2145@12.416331 12.416331 360.2145 286.1412@12.416834 12.416834 286.1412 268.1313@12.416449 12.416449 268.1313 216.0276@12.417062 12.417062 216.0276 212.0688@12.416331 12.416331 212.0688 184.0737@12.416332 12.416332 184.0737 829.0515@12.581646 12.581646 829.0515 137.9951@12.417298 12.417298 137.9951 440.1827@12.415589 12.415589 440.1827 460.279@12.418138 12.418138 460.279 327.2768@12.425965 12.425965 327.2768 Didrovaltratum 522.2683@12.4204855 12.4204855 522.2683 C34 H65 N O4 S 342.2052@12.424783 12.424783 342.2052 489.2976@12.422056 12.422056 489.2976 475.3147@12.437225 12.437225 475.3147 Oleoyl amine + 12.400412 404.8416@12.43 12.43 404.8416 830.2162@12.43 12.43 830.2162 751.4877@12.427551 12.427551 751.4877 503.3005@12.439973 12.439973 503.3005 721.4841@12.44 12.44 721.4841 481.3172@12.439418 12.439418 481.3172 C22 Sulfatide C21 H43 N3 O3 + 12.394348 349.2615@12.460797 12.460797 349.2615 C14 H33 N7 O + 12.407969 836.6172@12.432035 12.432035 836.6172 120.0436@12.4620695 12.4620695 120.0436 592.4364@12.416518 12.416518 592.4364 843.6293@12.388582 12.388582 843.6293 939.5179@12.432623 12.432623 939.5179 845.543@12.594574 12.594574 845.543 907.5441@12.4696 12.4696 907.5441 729.5807@12.469 12.469 729.5807 839.613@12.496712 12.496712 839.613 833.6014@12.280196 12.280196 833.6014 C41 H73 N O S3 871.5308@12.565644 12.565644 871.5308 281.2708@12.460288 12.460288 281.2708 769.5821@12.976279 12.976279 769.5821 803.5445@12.386025 12.386025 803.5445 327.2765@12.460187 12.460187 327.2765 methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate 103.0996@12.3713875 12.3713875 103.0996 210.1941@12.478058 12.478058 210.1941 284.2355@12.476601 12.476601 284.2355 319.2711@12.477935 12.477935 319.2711 302.245@12.430096 12.430096 302.245 463.3782@12.490551 12.490551 463.3782 505.3543@12.347621 12.347621 505.3543 807.0264@12.498537 12.498537 807.0264 875.014@12.492921 12.492921 875.014 841.021@12.497057 12.497057 841.021 C30 H47 N3 O6 C18 H45 N13 O5 529.3712@12.520026 12.520026 529.3712 526.0114@12.501 12.501 526.0114 626.463@12.497329 12.497329 626.463 C28 H47 N5 O10 549.365@12.494602 12.494602 549.365 884.6581@12.502375 12.502375 884.6581 C24 H51 N15 S C26 H51 N5 O2 S3 C31 H55 N O11 S2 675.9538@12.504717 12.504717 675.9538 910.6714@12.505008 12.505008 910.6714 546.8989@12.509 12.509 546.8989 535.3834@12.546875 12.546875 535.3834 888.6871@12.499395 12.499395 888.6871 Cerebroside C 2-Amino-3-methyl-1-butanol + 12.509543 843.6166@12.662356 12.662356 843.6166 769.5875@12.972375 12.972375 769.5875 421.305@12.526842 12.526842 421.305 592.437@12.725779 12.725779 592.437 731.5716@12.575235 12.575235 731.5716 793.5961@12.321123 12.321123 793.5961 C22 H41 N O 460.2838@12.459149 12.459149 460.2838 836.613@12.514108 12.514108 836.613 789.586@12.38355 12.38355 789.586 872.53@12.504889 12.504889 872.53 829.56@12.321715 12.321715 829.56 895.5388@13.069118 13.069118 895.5388 281.271@12.548554 12.548554 281.271 839.6139@12.61679 12.61679 839.6139 327.276@12.591317 12.591317 327.276 385.3298@12.527364 12.527364 385.3298 349.266@12.531059 12.531059 349.266 C38 H73 N O7 S 857.586@12.387232 12.387232 857.586 464.3551@12.874804 12.874804 464.3551 804.0466@12.648511 12.648511 804.0466 507.3379@12.588051 12.588051 507.3379 758.5694@12.595 12.595 758.5694 803.5448@12.603139 12.603139 803.5448 657.5012@12.611131 12.611131 657.5012 501.3932@12.62564 12.62564 501.3932 C30 H65 N11 S2 872.5317@12.70306 12.70306 872.5317 570.9241@12.762019 12.762019 570.9241 845.5558@12.961594 12.961594 845.5558 804.0431@12.766016 12.766016 804.0431 332.2894@12.800631 12.800631 332.2894 C35 H61 N5 O S 837.6089@12.76313 12.76313 837.6089 571.3759@12.653 12.653 571.3759 783.5742@12.591063 12.591063 783.5742 C31 H47 N7 O2 458.3634@12.646496 12.646496 458.3634 288.2635@12.692005 12.692005 288.2635 421.3254@12.669 12.669 421.3254 783.3455@12.671 12.671 783.3455 OLEANANOIC ACID ACETATE 698.5389@12.885608 12.885608 698.5389 385.3303@12.71085 12.71085 385.3303 540.3803@12.657795 12.657795 540.3803 C32 H61 N O4 S 410.3788@12.688633 12.688633 410.3788 (-)N-(1R-methyl-propyl) arachidonoyl amine 395.3858@12.699832 12.699832 395.3858 C22 H43 N O 805.5623@12.93965 12.93965 805.5623 375.2917@12.7433195 12.7433195 375.2917 696.648@12.695189 12.695189 696.648 407.2999@12.60096 12.60096 407.2999 313.2625@12.694379 12.694379 313.2625 319.2507@12.706337 12.706337 319.2507 C30 H57 N O3 S + 12.70308 785.9296@12.938883 12.938883 785.9296 327.2754@12.748996 12.748996 327.2754 349.2799@12.440451 12.440451 349.2799 739.5154@12.728027 12.728027 739.5154 897.5501@12.86924 12.86924 897.5501 435.3347@12.730776 12.730776 435.3347 525.4079@12.585565 12.585565 525.4079 424.3529@12.724057 12.724057 424.3529 911.5496@12.6887045 12.6887045 911.5496 493.3774@13.134349 13.134349 493.3774 781.9002@12.766274 12.766274 781.9002 C28 H53 N O2 S + 12.730522 C23 H50 Cl N5 O3 939.519@12.632363 12.632363 939.519 469.3718@12.840512 12.840512 469.3718 551.3935@12.759295 12.759295 551.3935 899.5614@12.578794 12.578794 899.5614 872.5311@13.0195055 13.0195055 872.5311 415.339@12.775248 12.775248 415.339 783.9132@12.822489 12.822489 783.9132 521.5925@12.868995 12.868995 521.5925 379.3239@12.786613 12.786613 379.3239 657.5013@12.760577 12.760577 657.5013 C29 H28 N2 O C12 H26 N8 O S2 C14 H6 N2 O3 384.1534@12.771366 12.771366 384.1534 13S-hydroxy-9E,11Z-octadecadienoic acid PGE1 alcohol C18 H38 O4 288.2653@12.80313 12.80313 288.2653 C12 H33 N7 O C19 H37 N5 C16 H34 O3 898.557@12.757611 12.757611 898.557 940.5205@12.695925 12.695925 940.5205 428.2571@12.953987 12.953987 428.2571 305.2916@12.929837 12.929837 305.2916 C29 H45 N7 O C27 H23 Cl O5 608.332@13.095945 13.095945 608.332 466.3643@12.816906 12.816906 466.3643 658.4995@12.913846 12.913846 658.4995 529.3545@12.823148 12.823148 529.3545 488.3478@12.7917385 12.7917385 488.3478 867.6388@12.652263 12.652263 867.6388 402.2261@12.872744 12.872744 402.2261 222.1596@13.087341 13.087341 222.1596 819.5315@12.891526 12.891526 819.5315 C25 H49 N O4 688.5509@12.853306 12.853306 688.5509 810.0477@12.98055 12.98055 810.0477 359.3271@12.833599 12.833599 359.3271 710.5318@12.825266 12.825266 710.5318 836.6133@13.21967 13.21967 836.6133 767.5772@12.795125 12.795125 767.5772 857.5842@12.640158 12.640158 857.5842 327.2743@12.782928 12.782928 327.2743 752.5442@12.856619 12.856619 752.5442 C18 H33 N O2 400.327@12.842186 12.842186 400.327 831.5739@12.7771225 12.7771225 831.5739 GPIns(16:0/16:0) C16 H24 N6 789.5832@12.925669 12.925669 789.5832 781.5642@13.016682 13.016682 781.5642 803.5451@12.908263 12.908263 803.5451 785.595@13.072745 13.072745 785.595 757.5629@13.042654 13.042654 757.5629 839.6138@12.88068 12.88068 839.6138 774.5815@12.881013 12.881013 774.5815 793.5967@12.822354 12.822354 793.5967 770.599@12.8944435 12.8944435 770.599 345.2715@12.871719 12.871719 345.2715 371.3186@12.694537 12.694537 371.3186 549.3994@12.789204 12.789204 549.3994 781.9053@13.267685 13.267685 781.9053 C33 H67 N3 O3 S3 Anandamide (18:3, n-6) + 12.584168 N-(2-hydroxyethyl)palmitamide + 12.8659935 939.5194@12.863048 12.863048 939.5194 620.5424@12.872299 12.872299 620.5424 345.2732@13.040217 13.040217 345.2732 795.0594@12.608976 12.608976 795.0594 342.2048@12.876968 12.876968 342.2048 364.1868@12.875601 12.875601 364.1868 858.5931@12.904476 12.904476 858.5931 899.5597@12.738436 12.738436 899.5597 739.521@13.4107275 13.4107275 739.521 537.3807@12.985899 12.985899 537.3807 759.5822@12.753821 12.753821 759.5822 531.3691@12.920369 12.920369 531.3691 C29 H47 N7 O 197.1451@12.9324045 12.9324045 197.1451 486.3875@12.999011 12.999011 486.3875 472.3339@12.973991 12.973991 472.3339 469.371@12.926505 12.926505 469.371 199.157@12.938191 12.938191 199.157 939.5154@13.128977 13.128977 939.5154 LTB4 ethanol amide 396.2683@12.9288435 12.9288435 396.2683 415.3403@12.93678 12.93678 415.3403 819.5323@13.040289 13.040289 819.5323 295.2497@12.932978 12.932978 295.2497 310.2739@13.093858 13.093858 310.2739 492.3763@13.004916 13.004916 492.3763 453.3769@12.949064 12.949064 453.3769 711.5352@13.066647 13.066647 711.5352 532.3714@12.884126 12.884126 532.3714 752.5336@12.954 12.954 752.5336 774.5896@12.894232 12.894232 774.5896 730.5451@13.228469 13.228469 730.5451 669.4626@13.008351 13.008351 669.4626 450.3621@12.941949 12.941949 450.3621 781.8974@13.247978 13.247978 781.8974 345.27@13.035678 13.035678 345.27 C13 H32 N6 O 739.5119@12.966 12.966 739.5119 371.3121@12.816489 12.816489 371.3121 660.5195@13.018439 13.018439 660.5195 751.5155@13.1177635 13.1177635 751.5155 857.5854@12.981361 12.981361 857.5854 739.5178@13.5032 13.5032 739.5178 689.5535@12.962761 12.962761 689.5535 C16 H35 N5 O3 773.5856@13.053806 13.053806 773.5856 536.4052@12.9956255 12.9956255 536.4052 349.3016@13.013482 13.013482 349.3016 812.223@12.896079 12.896079 812.223 732.5645@12.693993 12.693993 732.5645 899.56@12.9264345 12.9264345 899.56 288.2654@13.0067005 13.0067005 288.2654 657.5014@12.977482 12.977482 657.5014 939.5224@13.234048 13.234048 939.5224 C19 H33 N5 O 466.3631@13.015664 13.015664 466.3631 613.4779@12.890776 12.890776 613.4779 865.6229@12.873448 12.873448 865.6229 316.2594@13.08305 13.08305 316.2594 991.7363@13.17068 13.17068 991.7363 His Cys Met 498.3693@13.28008 13.28008 498.3693 840.6244@13.328193 13.328193 840.6244 516.3816@13.120003 13.120003 516.3816 LTB4 ethanol amide + 13.095308 C22 H45 N3 O4 502.3991@13.431854 13.431854 502.3991 197.1441@12.971345 12.971345 197.1441 764.5486@13.104 13.104 764.5486 805.2404@13.38203 13.38203 805.2404 345.2682@13.070763 13.070763 345.2682 199.1567@13.102763 13.102763 199.1567 182.13@13.102468 13.102468 182.13 492.371@13.129032 13.129032 492.371 350.2301@13.092982 13.092982 350.2301 730.5482@13.361496 13.361496 730.5482 372.2089@13.107666 13.107666 372.2089 820.5875@13.46186 13.46186 820.5875 689.5535@13.517519 13.517519 689.5535 327.2778@13.270771 13.270771 327.2778 812.6549@13.044734 13.044734 812.6549 751.521@13.37328 13.37328 751.521 782.57@13.413885 13.413885 782.57 641.4851@13.117557 13.117557 641.4851 857.5887@13.16711 13.16711 857.5887 807.5743@13.049957 13.049957 807.5743 793.5965@13.209384 13.209384 793.5965 559.3675@13.121734 13.121734 559.3675 759.5828@13.165287 13.165287 759.5828 537.3799@13.113973 13.113973 537.3799 803.5446@13.151104 13.151104 803.5446 767.58@13.056447 13.056447 767.58 785.5954@13.456969 13.456969 785.5954 831.5752@13.089499 13.089499 831.5752 804.0451@13.313529 13.313529 804.0451 801.5284@13.127241 13.127241 801.5284 845.5374@13.050561 13.050561 845.5374 816.5793@12.855811 12.855811 816.5793 702.5664@12.997551 12.997551 702.5664 755.5467@12.992736 12.992736 755.5467 836.6005@13.056961 13.056961 836.6005 440.3355@13.136974 13.136974 440.3355 781.9017@13.657412 13.657412 781.9017 745.5948@13.007548 13.007548 745.5948 859.5992@12.894015 12.894015 859.5992 817.0552@13.439139 13.439139 817.0552 C27 H51 N O S GPEtnNMe(18:1(9Z)/18:1(9Z))[U] 763.5524@13.1563425 13.1563425 763.5524 790.5704@13.236008 13.236008 790.5704 771.6018@13.547345 13.547345 771.6018 777.5285@13.177978 13.177978 777.5285 710.531@13.022633 13.022633 710.531 900.5661@12.8654785 12.8654785 900.5661 493.5573@13.5207815 13.5207815 493.5573 421.3359@13.232087 13.232087 421.3359 461.3491@13.144768 13.144768 461.3491 869.5169@13.230427 13.230427 869.5169 534.3883@13.160936 13.160936 534.3883 427.3171@13.155778 13.155778 427.3171 255.2544@13.316982 13.316982 255.2544 355.3088@13.144286 13.144286 355.3088 413.3571@13.212657 13.212657 413.3571 867.6445@13.556629 13.556629 867.6445 819.0736@13.265417 13.265417 819.0736 600.5046@12.961234 12.961234 600.5046 899.5612@13.2184925 13.2184925 899.5612 490.3636@13.156445 13.156445 490.3636 C21 H45 N 839.6124@13.230746 13.230746 839.6124 845.5355@13.200925 13.200925 845.5355 857.5875@13.133014 13.133014 857.5875 641.4992@13.245569 13.245569 641.4992 178.0643@13.187527 13.187527 178.0643 823.5853@13.041601 13.041601 823.5853 440.3373@13.105535 13.105535 440.3373 763.5493@13.2443695 13.2443695 763.5493 1alpha-hydroxy-21-nor-20-oxavitamin D3 / 1alpha-hydroxy-21-nor-20-oxacholecalciferol 332.2428@13.205575 13.205575 332.2428 791.5683@13.293267 13.293267 791.5683 C13 H32 N6 O + 13.265551 8-hydroxy-17-octadecene-10,12-diynoic acid 755.5467@13.210332 13.210332 755.5467 530.2684@13.222045 13.222045 530.2684 6alpha-Hydroxycastasterone 947.7105@13.2812 13.2812 947.7105 547.2933@13.210839 13.210839 547.2933 657.5007@13.193848 13.193848 657.5007 811.3887@13.200759 13.200759 811.3887 588.3219@13.21965 13.21965 588.3219 637.5481@13.492259 13.492259 637.5481 636.9649@13.439183 13.439183 636.9649 726.2638@13.235422 13.235422 726.2638 600.4978@13.376454 13.376454 600.4978 985.5557@13.240434 13.240434 985.5557 778.3227@13.227749 13.227749 778.3227 667.3421@13.227332 13.227332 667.3421 995.6107@13.172775 13.172775 995.6107 C36 H50 N6 O6 S C34 H38 N6 O7 S C27 H39 N15 O5 699.5197@13.253859 13.253859 699.5197 C26 H40 N10 O9 538.4205@13.356572 13.356572 538.4205 C41 H41 N5 O6 C24 H34 N16 O7 C35 H51 N O10 S 845.5326@13.259998 13.259998 845.5326 655.8043@13.226648 13.226648 655.8043 C32 H51 N15 S2 957.5463@13.238387 13.238387 957.5463 526.3987@13.345853 13.345853 526.3987 973.6296@13.240719 13.240719 973.6296 756.3411@13.226447 13.226447 756.3411 602.5229@13.354961 13.354961 602.5229 413.3573@13.223444 13.223444 413.3573 613.4769@13.241186 13.241186 613.4769 N-Hexadecyl-L-hydroxyproline 641.4999@13.324405 13.324405 641.4999 991.7354@13.38338 13.38338 991.7354 461.3474@13.278484 13.278484 461.3474 378.2716@13.396569 13.396569 378.2716 518.3965@13.124383 13.124383 518.3965 742.8823@13.277 13.277 742.8823 726.2683@13.231859 13.231859 726.2683 561.4155@13.400637 13.400637 561.4155 891.5508@13.277557 13.277557 891.5508 934.4891@13.281977 13.281977 934.4891 779.5447@13.3095 13.3095 779.5447 346.2719@13.068552 13.068552 346.2719 574.4105@13.2806015 13.2806015 574.4105 530.3769@13.184675 13.184675 530.3769 755.5467@13.345257 13.345257 755.5467 899.5627@13.394364 13.394364 899.5627 486.3365@12.995491 12.995491 486.3365 327.2774@13.510358 13.510358 327.2774 2R-aminohexadecanoic acid 710.5308@13.297068 13.297068 710.5308 C33 H63 N O4 S 298.1918@13.289477 13.289477 298.1918 516.3741@13.249441 13.249441 516.3741 688.5502@13.236117 13.236117 688.5502 807.5783@13.401306 13.401306 807.5783 801.5289@13.340689 13.340689 801.5289 777.532@13.393478 13.393478 777.532 815.5916@13.272399 13.272399 815.5916 751.5199@13.492891 13.492891 751.5199 C16 H33 N O 783.5764@13.167952 13.167952 783.5764 700.5366@13.29 13.29 700.5366 719.5693@13.463407 13.463407 719.5693 798.6442@13.352284 13.352284 798.6442 1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / 1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c 760.5793@13.180493 13.180493 760.5793 277.2282@13.285864 13.285864 277.2282 809.5947@13.409644 13.409644 809.5947 793.5923@13.392289 13.392289 793.5923 618.482@13.067964 13.067964 618.482 831.5753@13.481127 13.481127 831.5753 829.5591@13.182656 13.182656 829.5591 789.5751@13.080904 13.080904 789.5751 857.5878@13.416311 13.416311 857.5878 633.4635@13.290217 13.290217 633.4635 556.3808@13.223284 13.223284 556.3808 796.6064@13.182299 13.182299 796.6064 767.5804@13.241308 13.241308 767.5804 763.5494@13.278959 13.278959 763.5494 745.5963@13.4940605 13.4940605 745.5963 933.6302@13.296179 13.296179 933.6302 758.5687@13.382495 13.382495 758.5687 741.5666@13.177009 13.177009 741.5666 280.2404@13.460436 13.460436 280.2404 433.3132@13.289208 13.289208 433.3132 995.6103@13.148123 13.148123 995.6103 534.3884@13.331703 13.331703 534.3884 529.4316@13.406015 13.406015 529.4316 839.6135@13.342878 13.342878 839.6135 525.4215@13.153454 13.153454 525.4215 Anandamide (18:3, n-6) + 13.313286 536.4047@13.388464 13.388464 536.4047 855.5746@13.130092 13.130092 855.5746 510.3755@13.59101 13.59101 510.3755 830.0605@13.491528 13.491528 830.0605 903.6839@13.395228 13.395228 903.6839 791.5556@13.379902 13.379902 791.5556 626.2101@13.446042 13.446042 626.2101 481.3973@12.879157 12.879157 481.3973 710.5332@13.412799 13.412799 710.5332 871.5328@13.504732 13.504732 871.5328 702.5667@13.318935 13.318935 702.5667 900.5661@13.5065 13.5065 900.5661 893.6471@13.470024 13.470024 893.6471 C25 H53 N O2 S2 468.3199@13.367502 13.367502 468.3199 939.5241@13.646323 13.646323 939.5241 413.3527@13.336484 13.336484 413.3527 466.3531@13.3188095 13.3188095 466.3531 658.2796@13.4594345 13.4594345 658.2796 636.4555@13.617941 13.617941 636.4555 940.5407@13.547526 13.547526 940.5407 743.5731@13.486191 13.486191 743.5731 653.3239@13.362517 13.362517 653.3239 498.3975@13.430751 13.430751 498.3975 764.5501@13.421 13.421 764.5501 286.2298@13.415417 13.415417 286.2298 C20 H28 C13 H32 N6 O + 13.422483 C13 H35 N7 O C28 H51 Cl N8 699.3026@13.465236 13.465236 699.3026 787.6087@13.448437 13.448437 787.6087 538.4225@13.504897 13.504897 538.4225 883.5926@13.351761 13.351761 883.5926 347.2834@13.430764 13.430764 347.2834 741.5645@13.534899 13.534899 741.5645 596.4885@13.740162 13.740162 596.4885 560.4045@13.468211 13.468211 560.4045 520.4039@13.596533 13.596533 520.4039 686.5339@13.449774 13.449774 686.5339 988.5547@13.444047 13.444047 988.5547 C16 H36 N2 O6 767.5824@13.528955 13.528955 767.5824 682.5318@13.525101 13.525101 682.5318 C16 H30 O 642.5091@13.294668 13.294668 642.5091 658.2776@13.5287695 13.5287695 658.2776 626.2164@13.645325 13.645325 626.2164 C19 H33 N5 (1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid 18-oxo-nonadecanoic acid 472.3111@13.446547 13.446547 472.3111 Octadecanedioic acid C20 H40 N2 O4 9,13-dihydroxy-11-octadecenoic acid 737.5315@13.465059 13.465059 737.5315 337.3331@13.097147 13.097147 337.3331 548.4104@13.074041 13.074041 548.4104 303.2543@13.457534 13.457534 303.2543 Oleoyl amine + 13.464861 377.3054@13.5033045 13.5033045 377.3054 859.6425@13.53787 13.53787 859.6425 755.5469@13.475672 13.475672 755.5469 694.351@13.511869 13.511869 694.351 3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid 486.3794@13.339564 13.339564 486.3794 C28 H40 S2 551.3975@13.512747 13.512747 551.3975 1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3 / 1alpha,25-dihydroxy-26,27-dimethyl-24 C32 H46 N2 O4 2-decylenic acid C23 H41 N5 O2 419.8143@13.492 13.492 419.8143 508.3699@13.132865 13.132865 508.3699 502.3961@13.591394 13.591394 502.3961 833.9392@13.578807 13.578807 833.9392 677.4636@13.702536 13.702536 677.4636 C18 H47 Cl N10 O 717.5634@13.345991 13.345991 717.5634 476.3452@13.477442 13.477442 476.3452 902.6876@13.507 13.507 902.6876 862.6194@13.522641 13.522641 862.6194 560.4065@13.493186 13.493186 560.4065 576.4656@13.681512 13.681512 576.4656 688.5496@13.479618 13.479618 688.5496 741.5672@13.903927 13.903927 741.5672 899.6572@13.663839 13.663839 899.6572 781.5647@13.530956 13.530956 781.5647 488.3486@13.456536 13.456536 488.3486 849.6388@13.66421 13.66421 849.6388 448.3501@13.58009 13.58009 448.3501 868.6482@13.523512 13.523512 868.6482 C20 H44 N2 O6 805.5587@13.399307 13.399307 805.5587 883.5956@13.50595 13.50595 883.5956 724.5471@13.496589 13.496589 724.5471 1-eicosanoyl-rac-glycerol 839.6166@13.493273 13.493273 839.6166 801.5401@13.679661 13.679661 801.5401 722.5237@13.393249 13.393249 722.5237 710.536@13.514793 13.514793 710.536 865.6284@13.644652 13.644652 865.6284 772.0332@13.512 13.512 772.0332 530.3742@13.504396 13.504396 530.3742 636.2981@13.471594 13.471594 636.2981 763.5504@13.538498 13.538498 763.5504 GPIns(16:0/16:0) + 13.551874 859.6206@13.603141 13.603141 859.6206 779.5464@13.324955 13.324955 779.5464 626.4277@13.5048485 13.5048485 626.4277 C17 H28 N2 O4 928.6476@13.503113 13.503113 928.6476 895.6602@13.574373 13.574373 895.6602 810.603@13.562319 13.562319 810.603 (Z)-N-(2-hydroxyethyl)hexadec-7-enamide 618.4889@13.438065 13.438065 618.4889 789.5687@13.82141 13.82141 789.5687 851.6645@13.735906 13.735906 851.6645 891.6434@13.533661 13.533661 891.6434 796.6041@13.731471 13.731471 796.6041 558.3968@13.358336 13.358336 558.3968 628.444@13.4150915 13.4150915 628.444 767.5785@13.533829 13.533829 767.5785 783.5751@13.649728 13.649728 783.5751 714.5628@13.632846 13.632846 714.5628 13E,17-octadecadienoic acid 845.6111@13.61966 13.61966 845.6111 653.3238@13.505816 13.505816 653.3238 799.6288@14.1088 14.1088 799.6288 847.5758@13.54957 13.54957 847.5758 825.635@13.515 13.515 825.635 873.5994@13.369133 13.369133 873.5994 793.5844@13.401136 13.401136 793.5844 760.5811@13.710262 13.710262 760.5811 875.6517@13.329206 13.329206 875.6517 C17 H35 N O 812.6628@13.48322 13.48322 812.6628 737.5421@13.706412 13.706412 737.5421 853.5626@13.39114 13.39114 853.5626 753.5292@13.7585 13.7585 753.5292 836.6107@13.630597 13.630597 836.6107 817.596@13.506674 13.506674 817.596 757.5637@13.675871 13.675871 757.5637 745.5845@13.426554 13.426554 745.5845 819.6017@13.7263155 13.7263155 819.6017 855.5746@13.479569 13.479569 855.5746 390.2775@13.482389 13.482389 390.2775 518.3935@13.333931 13.333931 518.3935 771.5805@13.438916 13.438916 771.5805 836.2771@13.521 13.521 836.2771 538.4201@13.529866 13.529866 538.4201 512.3616@13.684869 13.684869 512.3616 C22 H49 N3 O S 833.5909@13.146879 13.146879 833.5909 C19 H47 Cl N10 O 706.5347@13.721805 13.721805 706.5347 C38 H68 Cl N3 O S 540.3923@13.652971 13.652971 540.3923 353.3266@13.515807 13.515807 353.3266 1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / 1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c + 13.573742 C19 H37 N O3 + 13.526695 775.5744@13.591377 13.591377 775.5744 585.4133@13.631155 13.631155 585.4133 486.342@13.351559 13.351559 486.342 337.3337@13.329283 13.329283 337.3337 595.4806@13.265053 13.265053 595.4806 439.3641@13.549896 13.549896 439.3641 592.5902@13.500321 13.500321 592.5902 391.2871@13.404121 13.404121 391.2871 627.4935@13.212015 13.212015 627.4935 642.5152@13.630965 13.630965 642.5152 11-deoxy-PGE2 424.2798@13.675839 13.675839 424.2798 120.0436@13.756344 13.756344 120.0436 764.5505@13.579 13.579 764.5505 C44 H32 Cl N3 O4 891.6428@13.596684 13.596684 891.6428 694.3505@13.603396 13.603396 694.3505 443.3704@13.527959 13.527959 443.3704 710.5282@13.53693 13.53693 710.5282 C20 H42 Cl N3 O 624.2288@13.914023 13.914023 624.2288 853.5678@13.52401 13.52401 853.5678 C28 H49 N O4 C19 H41 Cl N2 O S 520.4097@13.617641 13.617641 520.4097 794.5927@13.553024 13.553024 794.5927 532.3757@13.573884 13.573884 532.3757 283.2869@13.603216 13.603216 283.2869 839.6198@13.659907 13.659907 839.6198 764.5536@13.490512 13.490512 764.5536 560.4133@13.665185 13.665185 560.4133 468.349@13.512948 13.512948 468.349 803.5446@13.731038 13.731038 803.5446 570.4441@13.623909 13.623909 570.4441 498.3817@13.611654 13.611654 498.3817 281.2707@13.591614 13.591614 281.2707 556.3934@13.54807 13.54807 556.3934 C36 H54 O S 536.4086@13.565934 13.565934 536.4086 612.4798@13.657645 13.657645 612.4798 337.3335@13.619393 13.619393 337.3335 618.4845@13.507312 13.507312 618.4845 642.5179@13.615713 13.615713 642.5179 988.557@13.641509 13.641509 988.557 390.2814@13.628904 13.628904 390.2814 833.5944@13.497975 13.497975 833.5944 705.5329@13.716848 13.716848 705.5329 253.2047@13.668009 13.668009 253.2047 488.2364@13.643771 13.643771 488.2364 653.3239@13.615618 13.615618 653.3239 314.2502@13.619758 13.619758 314.2502 465.3813@13.775952 13.775952 465.3813 590.4528@13.631282 13.631282 590.4528 1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol 1-hexadecanoyl-sn-glycerol C32 H71 N13 O S 3-Oxochola-1,4,6-trien-24-oic Acid 668.5426@13.643722 13.643722 668.5426 636.2969@13.593238 13.593238 636.2969 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol 1-hexadecanoyl-sn-glycerol + 13.638916 812.6669@13.645361 13.645361 812.6669 C44 H74 O3 S 2-propyl-tridecanoic acid C19 H41 N O4 18-oxo-nonadecanoic acid + 13.657046 cis-11-Hexadecenal 520.4111@13.627138 13.627138 520.4111 373.2992@13.581122 13.581122 373.2992 771.5832@13.81637 13.81637 771.5832 (17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrovitamin D3 / (17Z)-1alpha,25-d 518.3953@13.6446495 13.6446495 518.3953 514.3748@13.636161 13.636161 514.3748 478.3056@13.648177 13.648177 478.3056 755.5471@13.613671 13.613671 755.5471 560.4073@13.778358 13.778358 560.4073 540.3886@13.625355 13.625355 540.3886 500.3839@13.613933 13.613933 500.3839 745.5739@13.549774 13.549774 745.5739 592.583@13.77435 13.77435 592.583 434.2905@13.703164 13.703164 434.2905 699.3018@13.651851 13.651851 699.3018 468.33@13.669277 13.669277 468.33 798.6516@13.630013 13.630013 798.6516 871.7345@13.921012 13.921012 871.7345 855.5745@13.602853 13.602853 855.5745 763.5529@13.8873625 13.8873625 763.5529 829.5604@13.718413 13.718413 829.5604 736.5437@13.51919 13.51919 736.5437 C28 H49 N O4 + 13.668374 520.4091@13.712899 13.712899 520.4091 803.5478@13.731384 13.731384 803.5478 549.62@13.696305 13.696305 549.62 859.6098@13.772741 13.772741 859.6098 841.6128@13.586314 13.586314 841.6128 297.2679@13.551755 13.551755 297.2679 694.3512@13.852051 13.852051 694.3512 C24 Sulfatide 835.1147@13.71 13.71 835.1147 249.1694@13.737218 13.737218 249.1694 498.3912@13.536126 13.536126 498.3912 220.167@13.718804 13.718804 220.167 C24 H41 N O4 486.3479@13.479144 13.479144 486.3479 C27 H47 N5 O4 560.4064@13.784696 13.784696 560.4064 94.0779@13.736536 13.736536 94.0779 C24 H49 N3 O4 C13 H23 N O2 + 13.683239 C13 H25 N O3 + 13.696138 C7 H20 N4 O3 3E,5E-tridecadienoic acid 172.123@13.718379 13.718379 172.123 C13 H25 N O2 + 13.666357 198.1834@13.724522 13.724522 198.1834 106.0761@13.717488 13.717488 106.0761 510.3866@13.342344 13.342344 510.3866 416.3455@13.719711 13.719711 416.3455 520.4113@13.712376 13.712376 520.4113 623.2282@13.794791 13.794791 623.2282 791.5814@13.809253 13.809253 791.5814 837.6228@13.608274 13.608274 837.6228 465.3792@13.729669 13.729669 465.3792 819.5772@13.432417 13.432417 819.5772 636.2981@13.661984 13.661984 636.2981 546.3921@13.695492 13.695492 546.3921 843.6125@14.012121 14.012121 843.6125 871.5343@13.826891 13.826891 871.5343 604.5256@13.651602 13.651602 604.5256 483.3908@13.764528 13.764528 483.3908 C34 H24 Cl N5 O 323.281@13.755791 13.755791 323.281 746.5864@13.646454 13.646454 746.5864 688.5448@13.806162 13.806162 688.5448 C31 H49 N7 O2 716.5787@13.701187 13.701187 716.5787 781.5642@13.887586 13.887586 781.5642 805.274@13.421137 13.421137 805.274 939.5196@13.89615 13.89615 939.5196 253.2042@13.9743395 13.9743395 253.2042 573.383@13.768 13.768 573.383 855.5745@13.916841 13.916841 855.5745 C32 H69 N11 S2 255.2163@13.888211 13.888211 255.2163 817.5985@13.746926 13.746926 817.5985 GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 803.5447@14.092667 14.092667 803.5447 804.0476@13.768158 13.768158 804.0476 839.6137@13.796454 13.796454 839.6137 373.3188@13.779175 13.779175 373.3188 727.5681@13.767932 13.767932 727.5681 793.057@13.807674 13.807674 793.057 C34 H69 N5 O S2 518.3947@13.861336 13.861336 518.3947 644.4881@13.852463 13.852463 644.4881 636.297@13.784533 13.784533 636.297 604.5275@13.837176 13.837176 604.5275 801.6142@13.758537 13.758537 801.6142 607.4912@13.672081 13.672081 607.4912 424.2791@14.197864 14.197864 424.2791 590.4542@13.911973 13.911973 590.4542 731.5479@13.645251 13.645251 731.5479 C28 H49 N O4 + 13.786175 855.5769@14.195749 14.195749 855.5769 C35 H61 N5 S 845.6209@13.977015 13.977015 845.6209 C32 H56 O5 596.4826@13.854779 13.854779 596.4826 420.3249@13.617499 13.617499 420.3249 642.5193@13.794565 13.794565 642.5193 C30 H60 N2 O3 S2 455.3947@13.84198 13.84198 455.3947 430.3455@13.769806 13.769806 430.3455 516.3799@13.689054 13.689054 516.3799 518.3904@13.804079 13.804079 518.3904 602.5262@13.764141 13.764141 602.5262 747.5717@13.9148445 13.9148445 747.5717 1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / 1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c + 13.873025 C32 H52 S 450.3628@13.811757 13.811757 450.3628 472.3803@13.787764 13.787764 472.3803 526.4284@13.856616 13.856616 526.4284 633.5226@14.018403 14.018403 633.5226 94.0781@13.83477 13.83477 94.0781 3,6,8-dodecatrien-1-ol 578.4305@14.194721 14.194721 578.4305 733.1168@13.866 13.866 733.1168 C13 H25 N O2 + 13.8639555 C13 H23 N O2 + 13.858592 C13 H25 N O3 + 13.864275 C27 H47 N5 O4 + 13.860023 208.1544@13.816901 13.816901 208.1544 C20 H37 N7 O2 220.1667@13.841725 13.841725 220.1667 792.6006@13.935776 13.935776 792.6006 717.5665@13.888242 13.888242 717.5665 249.1695@13.85045 13.85045 249.1695 C24 H49 N3 O4 + 13.871433 162.1386@13.770459 13.770459 162.1386 265.1644@13.818636 13.818636 265.1644 172.1221@13.852278 13.852278 172.1221 113.0798@13.803426 13.803426 113.0798 C25 H53 N11 O2 837.6232@14.077854 14.077854 837.6232 677.477@13.756473 13.756473 677.477 623.2291@13.726044 13.726044 623.2291 C37 H65 Cl O3 C34 H65 N15 596.4707@13.888039 13.888039 596.4707 420.3275@13.732873 13.732873 420.3275 906.5265@13.841325 13.841325 906.5265 800.6573@13.902 13.902 800.6573 463.3688@13.8629675 13.8629675 463.3688 278.2226@14.033735 14.033735 278.2226 739.5484@13.881206 13.881206 739.5484 337.3335@14.067249 14.067249 337.3335 642.5184@14.037081 14.037081 642.5184 C23 H49 N11 O 843.6291@14.042322 14.042322 843.6291 460.3505@14.1630745 14.1630745 460.3505 548.4283@13.910524 13.910524 548.4283 786.6019@13.832041 13.832041 786.6019 516.3807@14.035616 14.035616 516.3807 636.2977@14.100532 14.100532 636.2977 566.4532@13.922817 13.922817 566.4532 C40 H81 N5 O3 S2 623.227@14.193137 14.193137 623.227 771.2692@13.937769 13.937769 771.2692 C38 H58 O S 598.4876@13.8263 13.8263 598.4876 C28 H40 O4 917.5363@13.953413 13.953413 917.5363 C28 H53 N O S 767.5577@13.9874935 13.9874935 767.5577 408.3065@14.106167 14.106167 408.3065 476.362@13.906591 13.906591 476.362 609.4962@14.059732 14.059732 609.4962 903.6889@14.191933 14.191933 903.6889 C42 H64 O S 747.5655@14.149371 14.149371 747.5655 849.5547@13.834378 13.834378 849.5547 841.616@14.066148 14.066148 841.616 471.3556@13.983381 13.983381 471.3556 795.0754@14.175039 14.175039 795.0754 640.5308@14.0561905 14.0561905 640.5308 593.4685@13.714084 13.714084 593.4685 576.4747@13.960821 13.960821 576.4747 878.7083@13.97367 13.97367 878.7083 734.5636@13.913431 13.913431 734.5636 873.6299@13.972393 13.972393 873.6299 C32 H52 S + 13.904622 623.2284@14.213712 14.213712 623.2284 C16 H38 N6 O2 C21 H41 N5 420.3273@14.020433 14.020433 420.3273 777.5296@13.88005 13.88005 777.5296 783.9926@13.994 13.994 783.9926 636.2972@14.152121 14.152121 636.2972 717.5569@14.175945 14.175945 717.5569 C14 H37 N7 O C18 H38 O3 514.418@13.977558 13.977558 514.418 C16 H34 N2 O 609.4942@14.128744 14.128744 609.4942 349.2965@13.9402685 13.9402685 349.2965 769.5781@14.081244 14.081244 769.5781 786.6006@13.868543 13.868543 786.6006 702.5651@13.963953 13.963953 702.5651 794.0656@13.928908 13.928908 794.0656 915.5213@14.263412 14.263412 915.5213 522.4254@14.069633 14.069633 522.4254 C16 H37 N7 755.5473@14.062558 14.062558 755.5473 518.3976@14.196176 14.196176 518.3976 465.3824@14.113029 14.113029 465.3824 C32 H52 S + 13.993715 780.0464@14.009374 14.009374 780.0464 779.5459@13.826309 13.826309 779.5459 770.0666@14.101855 14.101855 770.0666 GPIns(16:0/18:1(9Z)) + 14.137217 564.5563@13.96363 13.96363 564.5563 815.6188@13.6624775 13.6624775 815.6188 761.9185@14.224099 14.224099 761.9185 C29 H61 N11 O2 759.9277@14.060699 14.060699 759.9277 718.5639@14.461003 14.461003 718.5639 767.068@14.546299 14.546299 767.068 762.587@13.946927 13.946927 762.587 764.9445@14.102 14.102 764.9445 557.4607@14.139596 14.139596 557.4607 592.4673@14.122387 14.122387 592.4673 759.5755@14.027091 14.027091 759.5755 574.4588@13.780397 13.780397 574.4588 758.9051@14.103546 14.103546 758.9051 1-heptadecanoyl-rac-glycerol C20 H43 N O4 576.4758@14.14993 14.14993 576.4758 815.6165@14.2243 14.2243 815.6165 GPEtnNMe(18:1(9Z)/18:1(9Z))[U] + 14.125486 833.5919@14.195346 14.195346 833.5919 819.6107@13.85936 13.85936 819.6107 653.324@14.124262 14.124262 653.324 787.6024@14.628441 14.628441 787.6024 739.5444@14.16064 14.16064 739.5444 734.5642@14.487417 14.487417 734.5642 C26 H58 N2 O2 S2 C31 H61 N5 O3 430.379@14.239096 14.239096 430.379 813.044@14.201 14.201 813.044 781.0523@14.289845 14.289845 781.0523 C34 H69 N11 S2 522.4282@14.298477 14.298477 522.4282 C28 H51 N O S 744.5796@14.060078 14.060078 744.5796 432.3461@14.2005 14.2005 432.3461 414.3328@14.2118225 14.2118225 414.3328 564.5573@14.220235 14.220235 564.5573 809.5952@14.146737 14.146737 809.5952 766.0034@14.249566 14.249566 766.0034 798.6407@14.230927 14.230927 798.6407 593.4777@14.059369 14.059369 593.4777 574.4597@14.091072 14.091072 574.4597 767.5763@14.398343 14.398343 767.5763 609.497@14.260934 14.260934 609.497 816.984@14.247 14.247 816.984 781.0469@14.437005 14.437005 781.0469 C36 H69 N5 O S2 576.474@14.220965 14.220965 576.474 418.3098@14.270892 14.270892 418.3098 C36 H78 Cl N7 O4 S 819.6085@14.088083 14.088083 819.6085 841.6296@14.519535 14.519535 841.6296 697.5016@14.268277 14.268277 697.5016 780.5497@14.406689 14.406689 780.5497 777.5315@14.271298 14.271298 777.5315 653.3251@14.16433 14.16433 653.3251 816.6178@13.901487 13.901487 816.6178 853.5925@14.253 14.253 853.5925 N-(2-hydroxyethyl)palmitamide + 14.25288 636.2982@14.615612 14.615612 636.2982 C16 H28 N6 844.6284@14.282587 14.282587 844.6284 847.538@14.188068 14.188068 847.538 831.576@13.935813 13.935813 831.576 777.7651@14.258 14.258 777.7651 857.5922@14.211392 14.211392 857.5922 874.7689@14.082248 14.082248 874.7689 494.397@14.217593 14.217593 494.397 813.6305@14.466451 14.466451 813.6305 741.5679@14.0570965 14.0570965 741.5679 715.521@14.196201 14.196201 715.521 829.1142@14.275 14.275 829.1142 C26 H49 N7 O2 784.931@14.257558 14.257558 784.931 GPIns(16:0/16:0) + 14.135602 766.8945@14.328193 14.328193 766.8945 607.4661@14.294978 14.294978 607.4661 595.41@14.293074 14.293074 595.41 809.9386@14.227159 14.227159 809.9386 C32 H61 N O S 760.3952@14.404375 14.404375 760.3952 564.5576@14.470635 14.470635 564.5576 829.2185@14.342535 14.342535 829.2185 C35 H71 N5 O S2 763.5194@14.386658 14.386658 763.5194 402.3273@14.331225 14.331225 402.3273 805.5642@14.238021 14.238021 805.5642 831.5774@14.095017 14.095017 831.5774 785.2069@14.345 14.345 785.2069 863.6167@14.325492 14.325492 863.6167 522.4261@14.308012 14.308012 522.4261 299.2811@14.387307 14.387307 299.2811 843.5618@14.304521 14.304521 843.5618 C33 H67 N5 S2 895.5315@14.508503 14.508503 895.5315 828.5471@14.27908 14.27908 828.5471 779.5464@14.199762 14.199762 779.5464 N-oleoylethanolamine 520.4134@14.3965025 14.3965025 520.4134 494.3983@14.302643 14.302643 494.3983 C30 H57 N S 511.4224@14.368651 14.368651 511.4224 octadecanamide 632.4967@14.004509 14.004509 632.4967 784.9168@14.190857 14.190857 784.9168 741.541@14.4237175 14.4237175 741.541 807.9185@14.162064 14.162064 807.9185 762.8366@14.392 14.392 762.8366 848.6446@14.555041 14.555041 848.6446 793.0584@14.422031 14.422031 793.0584 553.4545@14.278606 14.278606 553.4545 806.1418@14.46046 14.46046 806.1418 889.6134@14.348511 14.348511 889.6134 764.2576@14.357737 14.357737 764.2576 609.5146@14.2112 14.2112 609.5146 C20 H39 N O + 14.429456 806.9202@14.384628 14.384628 806.9202 522.4225@14.421911 14.421911 522.4225 725.5312@14.547632 14.547632 725.5312 516.3814@14.43654 14.43654 516.3814 C31 H59 N O2 S 873.6237@14.446893 14.446893 873.6237 848.637@14.246254 14.246254 848.637 831.5768@14.445584 14.445584 831.5768 780.0502@14.325904 14.325904 780.0502 375.3477@14.46134 14.46134 375.3477 806.0478@14.439378 14.439378 806.0478 1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 1-octadecanoyl-rac-glycerol 20-oxo-heneicosanoic acid 3E,13Z-octadecadien-1-ol 407.3012@13.973607 13.973607 407.3012 779.5461@14.294473 14.294473 779.5461 765.992@14.339045 14.339045 765.992 GPIns(16:0/18:1(9Z)) + 14.414539 24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol 889.6228@14.081342 14.081342 889.6228 731.5476@14.528614 14.528614 731.5476 513.3773@14.491508 14.491508 513.3773 804.0449@14.351533 14.351533 804.0449 762.1616@14.415375 14.415375 762.1616 C29 H55 N O S 755.5468@14.398098 14.398098 755.5468 609.3322@14.210975 14.210975 609.3322 796.6124@14.40434 14.40434 796.6124 421.3726@14.37551 14.37551 421.3726 749.7766@14.516 14.516 749.7766 773.2864@14.517 14.517 773.2864 377.2998@14.518825 14.518825 377.2998 767.5843@14.336258 14.336258 767.5843 723.5203@14.4655905 14.4655905 723.5203 N-Hexadecyl-L-hydroxyproline + 14.517754 776.0225@14.522 14.522 776.0225 821.6238@14.316082 14.316082 821.6238 556.4106@14.466453 14.466453 556.4106 576.4774@14.457724 14.457724 576.4774 737.5334@14.492152 14.492152 737.5334 C36 H66 O6 753.8757@14.527 14.527 753.8757 443.3768@14.547788 14.547788 443.3768 763.2235@14.466386 14.466386 763.2235 963.7066@14.563543 14.563543 963.7066 609.5098@14.589121 14.589121 609.5098 563.4294@14.638087 14.638087 563.4294 699.2588@14.6039295 14.6039295 699.2588 873.6178@14.513891 14.513891 873.6178 C22 H41 N O + 14.560386 696.5176@14.478235 14.478235 696.5176 794.0614@14.607819 14.607819 794.0614 584.2639@14.646749 14.646749 584.2639 407.3016@14.496491 14.496491 407.3016 831.2316@14.6944 14.6944 831.2316 565.5557@14.632165 14.632165 565.5557 919.6808@14.600533 14.600533 919.6808 739.5503@14.263702 14.263702 739.5503 C37 H30 Cl N5 O S 628.5393@14.659769 14.659769 628.5393 694.3491@14.593913 14.593913 694.3491 883.6041@14.607291 14.607291 883.6041 522.4261@14.586762 14.586762 522.4261 574.4598@14.248507 14.248507 574.4598 913.7175@14.558 14.558 913.7175 865.6267@14.583175 14.583175 865.6267 133.1099@14.436308 14.436308 133.1099 674.5357@14.042306 14.042306 674.5357 696.518@14.664007 14.664007 696.518 845.2855@14.368598 14.368598 845.2855 902.677@14.622577 14.622577 902.677 817.5985@14.393426 14.393426 817.5985 875.6547@14.6463375 14.6463375 875.6547 780.0475@14.683871 14.683871 780.0475 471.4015@14.603425 14.603425 471.4015 857.5923@14.530788 14.530788 857.5923 609.4222@14.628119 14.628119 609.4222 563.4376@14.342127 14.342127 563.4376 890.5686@14.487216 14.487216 890.5686 720.5138@14.654892 14.654892 720.5138 520.4109@14.586347 14.586347 520.4109 C33 H68 N2 S3 779.5459@14.582773 14.582773 779.5459 564.5578@14.694773 14.694773 564.5578 744.5855@14.661022 14.661022 744.5855 C40 H66 O S 878.7074@14.567469 14.567469 878.7074 811.6047@14.480929 14.480929 811.6047 800.648@14.658 14.658 800.648 795.6125@14.457554 14.457554 795.6125 665.612@14.352136 14.352136 665.612 873.7403@14.194545 14.194545 873.7403 436.3509@14.590685 14.590685 436.3509 755.5445@14.404886 14.404886 755.5445 C12 H22 N6 614.4778@14.5327215 14.5327215 614.4778 807.5768@14.422975 14.422975 807.5768 633.5314@14.618307 14.618307 633.5314 540.4348@14.233527 14.233527 540.4348 638.4879@14.689799 14.689799 638.4879 858.5959@14.480636 14.480636 858.5959 586.5254@14.621617 14.621617 586.5254 833.5908@14.43754 14.43754 833.5908 646.5486@14.609527 14.609527 646.5486 821.6222@14.665415 14.665415 821.6222 407.3013@14.680429 14.680429 407.3013 836.6135@14.595932 14.595932 836.6135 665.4657@14.679977 14.679977 665.4657 779.5456@14.475281 14.475281 779.5456 763.7926@14.198342 14.198342 763.7926 421.3239@14.681079 14.681079 421.3239 653.3239@14.685531 14.685531 653.3239 672.5314@14.522363 14.522363 672.5314 596.4974@14.233289 14.233289 596.4974 Stearic acid 20-oxo-heneicosanoic acid + 14.690148 568.4641@14.682992 14.682992 568.4641 24-Nor-5beta-cholane-3alpha,7beta,22,23-tetrol 516.2672@14.673314 14.673314 516.2672 1-octadecanoyl-rac-glycerol + 14.688478 ESTRADIOL CYPIONATE C51 H78 O3 C22 H41 N5 C42 H78 N6 O3 S 3E,13Z-octadecadien-1-ol + 14.688305 C43 H79 N7 O3 817.5967@14.533919 14.533919 817.5967 769.9877@14.69 14.69 769.9877 576.4761@14.614584 14.614584 576.4761 C37 H70 O S2 C28 H52 N6 O3 S 755.5482@14.6683035 14.6683035 755.5482 731.5476@14.695282 14.695282 731.5476 665.6069@14.680065 14.680065 665.6069 724.5478@14.499139 14.499139 724.5478 861.6226@14.660913 14.660913 861.6226 851.5477@14.703082 14.703082 851.5477 819.6054@14.637839 14.637839 819.6054 C30 H58 O5 S 684.4284@14.756719 14.756719 684.4284 873.7596@14.279565 14.279565 873.7596 812.6213@14.478984 14.478984 812.6213 662.4464@14.564013 14.564013 662.4464 857.5902@14.694566 14.694566 857.5902 628.5418@14.70815 14.70815 628.5418 716.5809@14.764016 14.764016 716.5809 785.9285@14.354234 14.354234 785.9285 845.2835@14.563278 14.563278 845.2835 510.3442@14.723 14.723 510.3442 520.413@14.692548 14.692548 520.413 761.8897@14.724 14.724 761.8897 831.5781@14.754555 14.754555 831.5781 C31 H34 Cl N O4 S 796.6074@14.763646 14.763646 796.6074 699.2493@14.62008 14.62008 699.2493 C33 H68 N2 S3 + 14.763293 587.8423@14.75 14.75 587.8423 C31 H30 N10 O4 C30 H31 Cl N8 O4 C36 H32 N6 O3 S 588.1526@14.844808 14.844808 588.1526 622.2198@14.764119 14.764119 622.2198 638.2954@14.743207 14.743207 638.2954 298.1316@14.750441 14.750441 298.1316 Bilirubin + 14.756282 C32 H37 Cl N2 O6 C35 H42 N6 O6 282.1015@14.756511 14.756511 282.1015 843.6439@14.555158 14.555158 843.6439 889.6162@14.600165 14.600165 889.6162 443.372@14.651623 14.651623 443.372 609.5219@14.610046 14.610046 609.5219 609.3291@14.763 14.763 609.3291 606.4511@14.748343 14.748343 606.4511 614.4581@14.328657 14.328657 614.4581 430.3456@14.532324 14.532324 430.3456 445.3674@14.787496 14.787496 445.3674 592.4696@14.7552805 14.7552805 592.4696 798.622@14.727473 14.727473 798.622 617.4739@14.542716 14.542716 617.4739 576.4767@14.757333 14.757333 576.4767 873.7493@14.77 14.77 873.7493 724.5464@14.515531 14.515531 724.5464 574.4617@14.594964 14.594964 574.4617 847.6411@14.39088 14.39088 847.6411 786.3617@14.539471 14.539471 786.3617 629.5446@14.746974 14.746974 629.5446 786.9381@14.555814 14.555814 786.9381 744.5688@14.799 14.799 744.5688 919.6817@14.694567 14.694567 919.6817 C36 H66 O6 + 14.790879 853.5668@14.677279 14.677279 853.5668 759.1325@14.557554 14.557554 759.1325 833.5913@14.606591 14.606591 833.5913 805.5659@14.647742 14.647742 805.5659 789.2002@14.811 14.811 789.2002 C25 H55 Cl N10 O 779.5477@14.832932 14.832932 779.5477 845.6408@14.835856 14.835856 845.6408 832.2257@14.747913 14.747913 832.2257 576.4756@14.817678 14.817678 576.4756 C39 H68 O S2 278.2236@14.663601 14.663601 278.2236 847.6318@14.524872 14.524872 847.6318 819.0623@14.473132 14.473132 819.0623 611.5131@14.808649 14.808649 611.5131 424.3873@14.8372345 14.8372345 424.3873 628.5409@14.803128 14.803128 628.5409 296.2346@14.845747 14.845747 296.2346 720.5035@14.829444 14.829444 720.5035 843.6442@14.771668 14.771668 843.6442 609.3345@14.836807 14.836807 609.3345 798.6355@14.755933 14.755933 798.6355 796.0705@14.466741 14.466741 796.0705 598.4955@14.817599 14.817599 598.4955 C34 H44 N4 O5 S 637.3261@14.85535 14.85535 637.3261 792.0359@14.729429 14.729429 792.0359 723.2527@14.85506 14.85506 723.2527 699.2441@14.703305 14.703305 699.2441 765.5632@14.3194895 14.3194895 765.5632 678.3565@14.854215 14.854215 678.3565 702.5693@14.81466 14.81466 702.5693 802.266@14.852016 14.852016 802.266 C35 H69 N5 O6 744.5648@14.869 14.869 744.5648 487.3716@14.874 14.874 487.3716 794.0653@14.756899 14.756899 794.0653 785.594@14.496316 14.496316 785.594 531.4241@14.736608 14.736608 531.4241 574.4592@14.860862 14.860862 574.4592 702.8834@14.831619 14.831619 702.8834 624.5098@14.885538 14.885538 624.5098 845.2823@14.8784275 14.8784275 845.2823 134.0589@0.6260703 0.6260703 134.0589 238.1408@0.6722644 0.6722644 238.1408 958.956@0.60301435 0.60301435 958.956 943.9855@0.6917239 0.6917239 943.9855 142.025@0.6213015 0.6213015 142.025 821.007@0.6155305 0.6155305 821.007 449.2244@0.71061337 0.71061337 449.2244 73.0888@0.677426 0.677426 73.0888 822.0102@0.6843012 0.6843012 822.0102 721.0133@0.65314656 0.65314656 721.0133 821.0071@0.67025626 0.67025626 821.0071 93.0322@0.7345433 0.7345433 93.0322 134.0586@0.7583835 0.7583835 134.0586 262.0679@0.74290943 0.74290943 262.0679 C26 H15 N3 O22 958.9569@0.7200555 0.7200555 958.9569 150.0881@0.68935883 0.68935883 150.0881 238.1408@0.7578924 0.7578924 238.1408 120.0436@0.75605553 0.75605553 120.0436 194.1146@0.72491586 0.72491586 194.1146 821.0068@0.7655198 0.7655198 821.0068 921.0025@0.7680932 0.7680932 921.0025 117.114@0.7500734 0.7500734 117.114 959.9584@0.70368165 0.70368165 959.9584 511.9088@0.8065577 0.8065577 511.9088 216.0977@0.81386644 0.81386644 216.0977 705.8432@0.8110237 0.8110237 705.8432 555.8498@0.81230605 0.81230605 555.8498 697.8@0.8123419 0.8123419 697.8 681.7902@0.81301284 0.81301284 681.7902 629.8152@0.81401634 0.81401634 629.8152 687.7731@0.82376266 0.82376266 687.7731 547.8175@0.81914276 0.81914276 547.8175 563.8234@0.82158893 0.82158893 563.8234 553.7909@0.8194399 0.8194399 553.7909 605.7718@0.82217985 0.82217985 605.7718 537.7911@0.82612306 0.82612306 537.7911 420.1115@0.82903296 0.82903296 420.1115 488.0972@0.8248172 0.8248172 488.0972 352.1225@0.82791126 0.82791126 352.1225 711.6694@0.8308186 0.8308186 711.6694 645.6794@0.8315873 0.8315873 645.6794 585.7218@0.8287767 0.8287767 585.7218 703.6438@0.83356386 0.83356386 703.6438 196.0938@0.8364535 0.8364535 196.0938 860.5668@0.83702517 0.83702517 860.5668 707.6285@0.83438736 0.83438736 707.6285 579.6848@0.83424336 0.83424336 579.6848 835.5538@0.8380252 0.8380252 835.5538 623.6134@0.8380252 0.8380252 623.6134 787.6193@0.8369268 0.8369268 787.6193 759.6054@0.84494656 0.84494656 759.6054 793.4483@0.84696406 0.84696406 793.4483 787.4596@0.84772134 0.84772134 787.4596 766.5676@0.8550295 0.8550295 766.5676 160.1208@0.8640986 0.8640986 160.1208 317.1216@0.8700621 0.8700621 317.1216 294.1408@0.8654847 0.8654847 294.1408 821.0065@0.8712097 0.8712097 821.0065 205.0931@0.8744218 0.8744218 205.0931 1-Aminocyclopropane-1-carboxylic acid 322.1733@0.8759111 0.8759111 322.1733 331.1375@0.87673783 0.87673783 331.1375 336.1656@0.875963 0.875963 336.1656 251.1014@0.88335454 0.88335454 251.1014 C12 H16 N6 O4 188.1319@0.8876477 0.8876477 188.1319 291.1677@0.89353687 0.89353687 291.1677 105.097@0.8960286 0.8960286 105.097 C10 H5 N O 165.0521@0.9039987 0.9039987 165.0521 C16 H16 S 260.1181@0.8850348 0.8850348 260.1181 C5 H16 N4 O3 S2 245.1389@0.9177548 0.9177548 245.1389 120.0436@1.0497186 1.0497186 120.0436 87.0684@0.9483012 0.9483012 87.0684 315.1046@0.9507269 0.9507269 315.1046 2-Amino-2-methyl-1-propanol 85.0642@0.9727421 0.9727421 85.0642 Homoarginine 2-Deoxyglucose 366.1123@1.0309184 1.0309184 366.1123 C16 H17 N3 O S 117.1113@1.0004445 1.0004445 117.1113 2-Deoxyglucose + 1.0106846 Estrone sulfate 229.0882@1.001324 1.001324 229.0882 83.0728@1.0082331 1.0082331 83.0728 315.1036@1.0062838 1.0062838 315.1036 162.1058@1.0810246 1.0810246 162.1058 121.0455@1.0606428 1.0606428 121.0455 174.1024@1.0409675 1.0409675 174.1024 921.0025@1.043982 1.043982 921.0025 89.0836@1.0348988 1.0348988 89.0836 100.0521@1.1205202 1.1205202 100.0521 158.055@1.0726943 1.0726943 158.055 178.1205@1.0750505 1.0750505 178.1205 142.0252@1.0747862 1.0747862 142.0252 115.0976@1.1072958 1.1072958 115.0976 117.1138@1.085606 1.085606 117.1138 921.0025@1.090482 1.090482 921.0025 721.0136@1.0663108 1.0663108 721.0136 115.0953@1.1349925 1.1349925 115.0953 721.0131@1.2127781 1.2127781 721.0131 921.533@1.1570472 1.1570472 921.533 118.0821@1.1615574 1.1615574 118.0821 202.0399@1.1600475 1.1600475 202.0399 921.0025@1.2114494 1.2114494 921.0025 73.089@1.1483443 1.1483443 73.089 117.1138@1.1819028 1.1819028 117.1138 161.071@1.1787257 1.1787257 161.071 279.3286@1.1850497 1.1850497 279.3286 226.0959@1.2407644 1.2407644 226.0959 311.1033@1.1829401 1.1829401 311.1033 343.1263@1.1826239 1.1826239 343.1263 145.1059@1.1565398 1.1565398 145.1059 285.1166@1.2389053 1.2389053 285.1166 181.0737@1.1859399 1.1859399 181.0737 151.0438@1.2402941 1.2402941 151.0438 101.0478@1.2071202 1.2071202 101.0478 313.0806@1.1873604 1.1873604 313.0806 171.1198@1.2444246 1.2444246 171.1198 317.1039@1.1877474 1.1877474 317.1039 228.1469@1.246048 1.246048 228.1469 C9 H15 N7 O5 266.0513@1.1942674 1.1942674 266.0513 306.0361@1.2239021 1.2239021 306.0361 117.115@1.239038 1.239038 117.115 150.0886@1.2324086 1.2324086 150.0886 Hypoxanthine 199.1201@1.2361432 1.2361432 199.1201 203.1156@1.2995325 1.2995325 203.1156 306.0355@1.328063 1.328063 306.0355 85.0889@1.335918 1.335918 85.0889 131.094@1.3366251 1.3366251 131.094 153.076@1.2759116 1.2759116 153.076 142.0251@1.2882471 1.2882471 142.0251 120.0436@1.4450758 1.4450758 120.0436 117.1142@1.4417989 1.4417989 117.1142 959.9578@1.4178321 1.4178321 959.9578 959.9583@1.6036623 1.6036623 959.9583 942.9834@1.5457942 1.5457942 942.9834 958.9564@1.5312746 1.5312746 958.9564 228.1469@1.5168097 1.5168097 228.1469 142.025@1.5285697 1.5285697 142.025 924.0056@1.6555562 1.6555562 924.0056 153.0761@1.5056732 1.5056732 153.0761 821.0071@1.6181036 1.6181036 821.0071 191.1515@1.6267538 1.6267538 191.1515 131.0939@1.5814252 1.5814252 131.0939 85.0888@1.5816654 1.5816654 85.0888 153.0758@1.6613156 1.6613156 153.0758 621.0197@1.6286619 1.6286619 621.0197 174.0399@1.8129147 1.8129147 174.0399 293.1472@1.7744725 1.7744725 293.1472 180.0184@1.966193 1.966193 180.0184 180.0179@2.0608454 2.0608454 180.0179 131.0939@2.1455343 2.1455343 131.0939 131.094@2.3432446 2.3432446 131.094 922.0032@2.6773186 2.6773186 922.0032 117.1146@2.7081852 2.7081852 117.1146 C5 H11 N + 2.7759778 C9 H23 N7 S2 172.0707@2.8823109 2.8823109 172.0707 261.1576@2.9952374 2.9952374 261.1576 159.0807@3.0068078 3.0068078 159.0807 150.0886@3.0047522 3.0047522 150.0886 106.0454@3.1647425 3.1647425 106.0454 C6 H11 N3 165.1855@3.1655986 3.1655986 165.1855 583.167@3.1692133 3.1692133 583.167 327.1313@3.234342 3.234342 327.1313 211.1414@3.275728 3.275728 211.1414 168.0891@3.2462823 3.2462823 168.0891 88.0528@3.0995252 3.0995252 88.0528 194.1151@3.2588837 3.2588837 194.1151 958.9559@3.2139173 3.2139173 958.9559 142.025@3.263874 3.263874 142.025 194.1152@3.3222857 3.3222857 194.1152 150.0884@3.3488264 3.3488264 150.0884 260.1077@3.3415022 3.3415022 260.1077 518.0863@3.3471296 3.3471296 518.0863 382.1107@3.3848345 3.3848345 382.1107 270.0335@3.3498292 3.3498292 270.0335 450.0974@3.34818 3.34818 450.0974 262.0775@3.3477814 3.3477814 262.0775 314.0598@3.3380384 3.3380384 314.0598 338.0213@3.3454602 3.3454602 338.0213 466.0144@3.357299 3.357299 466.0144 333.1043@3.347835 3.347835 333.1043 958.9551@3.436095 3.436095 958.9551 88.0523@3.324708 3.324708 88.0523 211.1414@3.3914106 3.3914106 211.1414 216.0972@3.4130995 3.4130995 216.0972 150.0883@3.5826228 3.5826228 150.0883 142.025@3.4285917 3.4285917 142.025 959.9577@3.4812317 3.4812317 959.9577 194.1147@3.5075984 3.5075984 194.1147 211.1407@3.5030403 3.5030403 211.1407 207.1244@3.5141811 3.5141811 207.1244 142.0249@3.5296373 3.5296373 142.0249 958.956@3.5278754 3.5278754 958.956 142.1094@3.5831032 3.5831032 142.1094 253.1169@3.57969 3.57969 253.1169 958.9561@3.5894597 3.5894597 958.9561 366.1423@3.6056066 3.6056066 366.1423 142.025@3.603672 3.603672 142.025 924.2493@3.6466928 3.6466928 924.2493 143.0722@3.6419468 3.6419468 143.0722 OXYQUINOLINE 88.0527@3.6814146 3.6814146 88.0527 922.0039@3.7823882 3.7823882 922.0039 240.1463@3.711725 3.711725 240.1463 261.1271@3.722775 3.722775 261.1271 255.3019@3.7017872 3.7017872 255.3019 142.0252@3.725687 3.725687 142.0252 255.1683@3.7719135 3.7719135 255.1683 134.0935@3.592254 3.592254 134.0935 142.0249@3.760457 3.760457 142.0249 942.9805@3.7065444 3.7065444 942.9805 958.9559@3.8895903 3.8895903 958.9559 239.1445@3.8532677 3.8532677 239.1445 942.9818@3.9432936 3.9432936 942.9818 142.0249@3.836871 3.836871 142.0249 177.1259@3.8610904 3.8610904 177.1259 C6 H14 O3 177.1258@3.910143 3.910143 177.1258 177.1252@3.9933321 3.9933321 177.1252 359.2146@4.0031304 4.0031304 359.2146 135.0649@4.094126 4.094126 135.0649 145.0529@4.117331 4.117331 145.0529 299.1938@4.167872 4.167872 299.1938 494.2847@4.081597 4.081597 494.2847 284.2149@4.098949 4.098949 284.2149 C7 H20 N4 O3 + 4.090411 315.2062@4.1821456 4.1821456 315.2062 113.0827@4.108145 4.108145 113.0827 194.0905@4.1909184 4.1909184 194.0905 216.0931@4.214441 4.214441 216.0931 261.192@4.283537 4.283537 261.192 154.1453@4.285055 4.285055 154.1453 283.1632@4.3507776 4.3507776 283.1632 129.1512@4.3750324 4.3750324 129.1512 343.22@4.3969526 4.3969526 343.22 265.1327@4.4496927 4.4496927 265.1327 148.1091@4.531356 4.531356 148.1091 387.2464@4.5790153 4.5790153 387.2464 129.1511@4.5127506 4.5127506 129.1511 327.189@4.5911536 4.5911536 327.189 431.2711@4.70336 4.70336 431.2711 ACECLIDINE 536.3857@4.8318815 4.8318815 536.3857 519.3239@4.961549 4.961549 519.3239 259.1781@4.935349 4.935349 259.1781 536.3868@5.0077066 5.0077066 536.3868 281.1597@5.0443 5.0443 281.1597 259.1775@5.093613 5.093613 259.1775 536.3857@5.0656366 5.0656366 536.3857 259.1786@5.122402 5.122402 259.1786 552.3606@5.110676 5.110676 552.3606 536.3857@5.117682 5.117682 536.3857 281.1596@5.124305 5.124305 281.1596 297.1352@5.133813 5.133813 297.1352 259.1779@5.1414714 5.1414714 259.1779 281.1601@5.1332617 5.1332617 281.1601 297.1365@5.129946 5.129946 297.1365 C27 H48 Cl N13 S 281.16@5.2323074 5.2323074 281.16 565.4185@5.2234607 5.2234607 565.4185 C36 H52 Cl N7 O3 287.2098@5.3073473 5.3073473 287.2098 C19 H33 N15 O2 278.0763@5.34282 5.34282 278.0763 238.0844@5.3567886 5.3567886 238.0844 152.1196@5.356578 5.356578 152.1196 210.1225@5.4137115 5.4137115 210.1225 134.1055@5.397909 5.397909 134.1055 709.4076@5.4036627 5.4036627 709.4076 C28 H53 N O3 S3 C36 H69 N O12 S 430.2628@5.535618 5.535618 430.2628 250.177@5.521018 5.521018 250.177 233.1255@5.571794 5.571794 233.1255 430.2645@5.538969 5.538969 430.2645 152.1288@5.5627246 5.5627246 152.1288 C31 H43 N19 783.4809@5.585911 5.585911 783.4809 C35 H70 N2 O10 827.5064@5.671885 5.671885 827.5064 725.4174@5.6762633 5.6762633 725.4174 214.146@5.679714 5.679714 214.146 C32 H61 N O5 S3 435.7668@5.7491045 5.7491045 435.7668 OXYQUINOLINE + 5.7667704 457.7805@5.8310432 5.8310432 457.7805 C24 H41 N25 959.5832@5.9006505 5.9006505 959.5832 184.1077@5.897031 5.897031 184.1077 268.1291@5.931602 5.931602 268.1291 330.1978@6.225854 6.225854 330.1978 308.2105@6.269507 6.269507 308.2105 C9 H8 N6 O2 C7 H4 O + 6.3509936 154.0981@6.401502 6.401502 154.0981 204.0717@6.4242425 6.4242425 204.0717 381.2353@6.490145 6.490145 381.2353 309.1942@6.589402 6.589402 309.1942 299.1999@6.719338 6.719338 299.1999 309.1929@6.6863046 6.6863046 309.1929 309.1954@6.7835345 6.7835345 309.1954 129.059@6.7065587 6.7065587 129.059 199.1571@6.7295194 6.7295194 199.1571 221.1385@6.7545347 6.7545347 221.1385 251.148@6.7383637 6.7383637 251.148 368.1372@6.8128147 6.8128147 368.1372 255.1659@6.839279 6.839279 255.1659 199.1552@6.776898 6.776898 199.1552 311.2095@7.0002527 7.0002527 311.2095 168.1142@7.1055226 7.1055226 168.1142 404.1981@7.093798 7.093798 404.1981 289.2391@7.173615 7.173615 289.2391 311.2094@7.216792 7.216792 311.2094 282.2333@7.2034783 7.2034783 282.2333 154.1004@7.305983 7.305983 154.1004 336.2369@7.377855 7.377855 336.2369 Penbutolol C8 H16 O S3 245.234@7.650607 7.650607 245.234 284.0642@7.7237716 7.7237716 284.0642 502.179@7.720841 7.720841 502.179 546.1432@7.7205133 7.7205133 546.1432 262.0806@7.7254696 7.7254696 262.0806 180.0782@7.7267303 7.7267303 180.0782 240.1003@7.727871 7.727871 240.1003 259.2505@7.7159576 7.7159576 259.2505 232.1225@7.811122 7.811122 232.1225 456.1543@7.809072 7.809072 456.1543 307.1996@7.842495 7.842495 307.1996 290.1718@7.839323 7.839323 290.1718 227.1864@8.098839 8.098839 227.1864 232.1091@8.072588 8.072588 232.1091 Ubiquinone + 8.070654 2-Amino-3-methyl-1-butanol + 8.130119 327.2407@8.120273 8.120273 327.2407 C28 H23 N3 O4 328.2432@8.16331 8.16331 328.2432 265.1457@8.233148 8.233148 265.1457 227.188@8.177872 8.177872 227.188 249.1697@8.169222 8.169222 249.1697 447.2979@8.1822195 8.1822195 447.2979 103.0992@8.17692 8.17692 103.0992 470.098@8.196014 8.196014 470.098 212.1418@8.260691 8.260691 212.1418 234.1255@8.260857 8.260857 234.1255 265.1448@8.283523 8.283523 265.1448 227.1878@8.408597 8.408597 227.1878 331.1583@8.459435 8.459435 331.1583 241.276@8.430677 8.430677 241.276 344.2654@8.431633 8.431633 344.2654 275.1866@8.470721 8.470721 275.1866 Pindolol 241.2762@8.512501 8.512501 241.2762 222.0562@8.499029 8.499029 222.0562 288.2082@8.500495 8.500495 288.2082 224.1861@8.541033 8.541033 224.1861 112.052@8.599333 8.599333 112.052 224.1453@8.58239 8.58239 224.1453 C19 H40 O3 S2 365.2624@8.736268 8.736268 365.2624 157.1459@8.642583 8.642583 157.1459 C12 H26 N2 C23 H41 N3 O S2 293.2172@8.894627 8.894627 293.2172 276.1927@8.880668 8.880668 276.1927 C10 H20 N2 O2 S2 99.0681@8.934023 8.934023 99.0681 C16 Sphinganine 3,3,45-Tetrahydroxystilbene 136.0543@8.995134 8.995134 136.0543 284.282@8.998541 8.998541 284.282 C17 H36 N2 O2 309.2263@9.02573 9.02573 309.2263 325.2024@9.027654 9.027654 325.2024 229.2397@9.0174465 9.0174465 229.2397 287.2815@9.031664 9.031664 287.2815 539.3557@9.069959 9.069959 539.3557 320.2329@9.3168125 9.3168125 320.2329 C10 H20 N2 O2 S3 257.2718@9.346218 9.346218 257.2718 Leu Pro Pro + 9.409358 C14 H27 N7 O + 9.403234 391.2735@9.416495 9.416495 391.2735 381.2867@9.438661 9.438661 381.2867 115.0455@9.305833 9.305833 115.0455 329.9409@9.501861 9.501861 329.9409 320.143@9.559127 9.559127 320.143 922.5725@9.571278 9.571278 922.5725 316.1904@9.577331 9.577331 316.1904 316.1876@9.605719 9.605719 316.1876 210.1277@9.613527 9.613527 210.1277 283.1778@9.625459 9.625459 283.1778 190.1712@9.6654625 9.6654625 190.1712 248.1681@9.692536 9.692536 248.1681 310.1218@9.631045 9.631045 310.1218 487.2971@9.669727 9.669727 487.2971 503.2879@9.670814 9.670814 503.2879 C29 H41 N11 950.589@9.667297 9.667297 950.589 n-Pentadecylamine 787.4705@9.694458 9.694458 787.4705 C36 H69 N7 O S4 C34 H65 N7 S4 229.2408@9.752496 9.752496 229.2408 342.125@9.574943 9.574943 342.125 554.3614@9.817718 9.817718 554.3614 C4 H10 O3 C8 H25 N7 O 950.5929@9.784285 9.784285 950.5929 322.2151@9.773997 9.773997 322.2151 553.3639@9.763847 9.763847 553.3639 329.2066@9.775882 9.775882 329.2066 361.2195@9.802763 9.802763 361.2195 963.5743@9.727174 9.727174 963.5743 553.3643@9.885099 9.885099 553.3643 875.5223@9.746639 9.746639 875.5223 831.496@9.711398 9.711398 831.496 C36 H61 N11 O2 S2 C34 H57 N O11 C21 H44 O3 S2 C31 H53 N O4 S2 C18 H40 N4 O5 C17 H38 N8 O C29 H49 N O3 S2 C29 H53 N7 O3 S2 552.361@9.833877 9.833877 552.361 226.1649@9.94324 9.94324 226.1649 950.5887@9.865015 9.865015 950.5887 250.1227@9.867119 9.867119 250.1227 314.2906@9.871516 9.871516 314.2906 C20 H37 N S 536.3871@9.941375 9.941375 536.3871 515.2013@9.8441105 9.8441105 515.2013 353.2507@9.955016 9.955016 353.2507 329.2054@9.956603 9.956603 329.2054 C35 H68 N2 O2 S 287.246@9.505322 9.505322 287.246 622.4615@9.954513 9.954513 622.4615 350.2547@9.954833 9.954833 350.2547 823.6321@9.946378 9.946378 823.6321 515.2014@10.055237 10.055237 515.2014 C10 H20 N2 O S3 C5 H9 N S 336.2258@9.985213 9.985213 336.2258 147.0169@9.990148 9.990148 147.0169 536.3878@9.995516 9.995516 536.3878 236.1768@9.986824 9.986824 236.1768 241.2763@9.999556 9.999556 241.2763 325.2028@10.028562 10.028562 325.2028 536.3875@10.023791 10.023791 536.3875 375.1834@10.074652 10.074652 375.1834 690.2957@10.11866 10.11866 690.2957 334.1585@10.096424 10.096424 334.1585 646.3332@10.096931 10.096931 646.3332 236.1773@10.091045 10.091045 236.1773 875.4858@10.646806 10.646806 875.4858 897.4541@10.088467 10.088467 897.4541 690.2965@10.10574 10.10574 690.2965 647.3361@10.114452 10.114452 647.3361 375.1838@10.1067915 10.1067915 375.1838 330.2058@10.094961 10.094961 330.2058 253.2038@10.157912 10.157912 253.2038 334.1589@10.109923 10.109923 334.1589 4,8,12,15,19,21-tetracosahexaenoic acid 668.3142@10.124638 10.124638 668.3142 468.3136@10.125825 10.125825 468.3136 309.2282@10.295668 10.295668 309.2282 258.1597@10.111195 10.111195 258.1597 646.332@10.13276 10.13276 646.332 218.1708@10.096594 10.096594 218.1708 C12 H23 N7 2-amino-tetradecanoic acid 253.2039@10.21437 10.21437 253.2039 375.1844@10.121832 10.121832 375.1844 690.2962@10.254088 10.254088 690.2962 356.1404@10.108134 10.108134 356.1404 329.2025@10.349627 10.349627 329.2025 334.1607@10.151424 10.151424 334.1607 287.2466@10.05839 10.05839 287.2466 668.3181@10.181967 10.181967 668.3181 518.3201@10.099651 10.099651 518.3201 258.1606@10.202123 10.202123 258.1606 236.1779@10.160492 10.160492 236.1779 553.3642@10.3783865 10.3783865 553.3642 218.168@10.216441 10.216441 218.168 1,9Z,16-heptadecatrien-4,6-diyn-3,8-diol 236.1774@10.2238 10.2238 236.1774 325.2028@10.341782 10.341782 325.2028 301.2964@10.245795 10.245795 301.2964 160.1244@10.204957 10.204957 160.1244 200.1561@10.2240305 10.2240305 200.1561 552.3612@10.161403 10.161403 552.3612 823.6319@10.117722 10.117722 823.6319 356.1409@10.283719 10.283719 356.1409 315.3123@10.304612 10.304612 315.3123 668.3142@10.318371 10.318371 668.3142 690.2975@10.317017 10.317017 690.2975 334.163@10.312563 10.312563 334.163 375.1847@10.317834 10.317834 375.1847 336.0705@10.348501 10.348501 336.0705 241.2761@10.354215 10.354215 241.2761 538.3872@10.402211 10.402211 538.3872 330.2059@10.233196 10.233196 330.2059 538.8602@10.358323 10.358323 538.8602 536.388@10.385707 10.385707 536.388 971.6365@10.39346 10.39346 971.6365 552.3618@10.240718 10.240718 552.3618 C24:1-OH Sulfatide + 10.407853 883.5844@10.422247 10.422247 883.5844 839.5581@10.435404 10.435404 839.5581 572.4576@10.453764 10.453764 572.4576 795.5342@10.457529 10.457529 795.5342 751.5079@10.462709 10.462709 751.5079 536.3876@10.519458 10.519458 536.3876 555.3609@10.358519 10.358519 555.3609 572.4585@10.539064 10.539064 572.4585 923.6288@10.552837 10.552837 923.6288 C12 H26 O3 + 10.536278 555.3606@10.537193 10.537193 555.3606 879.6087@10.5392065 10.5392065 879.6087 554.3613@10.490437 10.490437 554.3613 C20 Sulfatide 1,2 di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-Beta-D-galactosyl-sn-glycerol 572.4575@10.552315 10.552315 572.4575 552.3611@10.556081 10.556081 552.3611 C41 H73 N5 O5 S 731.541@10.56434 10.56434 731.541 703.5067@10.606204 10.606204 703.5067 659.4805@10.63326 10.63326 659.4805 567.614@10.633236 10.633236 567.614 937.486@10.626047 10.626047 937.486 915.5054@10.627319 10.627319 915.5054 512.4529@10.631483 10.631483 512.4529 615.4552@10.656102 10.656102 615.4552 329.2051@10.863639 10.863639 329.2051 718.3288@10.65171 10.65171 718.3288 659.4811@10.637714 10.637714 659.4811 389.2004@10.653879 10.653879 389.2004 348.1736@10.654616 10.654616 348.1736 674.3641@10.655252 10.655252 674.3641 696.3471@10.766356 10.766356 696.3471 703.5095@10.615323 10.615323 703.5095 718.3275@10.696058 10.696058 718.3275 615.4547@10.686326 10.686326 615.4547 682.3426@10.679792 10.679792 682.3426 536.3881@10.760984 10.760984 536.3881 334.2119@10.682511 10.682511 334.2119 527.4022@10.707308 10.707308 527.4022 389.2011@10.690643 10.690643 389.2011 541.9729@10.7208 10.7208 541.9729 344.2207@10.724737 10.724737 344.2207 362.2073@10.75093 10.75093 362.2073 519.8656@10.748795 10.748795 519.8656 697.3516@10.668236 10.668236 697.3516 348.1733@10.669261 10.669261 348.1733 483.3754@10.723803 10.723803 483.3754 521.9981@10.725399 10.725399 521.9981 C33 H48 Cl N O2 853.4901@10.722103 10.722103 853.4901 674.365@10.724888 10.724888 674.365 389.201@10.734553 10.734553 389.201 348.1744@10.741524 10.741524 348.1744 521.0887@10.747248 10.747248 521.0887 718.329@10.758309 10.758309 718.329 345.2209@10.75989 10.75989 345.2209 Thioridazine C17 H8 Cl2 N2 O S 359.9701@10.805099 10.805099 359.9701 C21 H43 N O4 527.4015@10.719103 10.719103 527.4015 C25 H10 Cl N7 C12 H18 N2 S4 Disulfiram C5 H9 N S2 C5 H9 N S + 10.78873 C3 H5 N S 2E,4Z-hexadecadienoic acid C29 H23 Cl O13 C8 H7 Cl N6 O7 C26 H24 Cl2 N4 O6 S3 C18 H39 N3 S4 439.2594@10.801756 10.801756 439.2594 343.2183@10.946394 10.946394 343.2183 311.2144@10.829008 10.829008 311.2144 634.4481@10.71788 10.71788 634.4481 438.1283@10.832121 10.832121 438.1283 Ser Asp Asp 854.4559@10.825786 10.825786 854.4559 318.0653@10.847679 10.847679 318.0653 359.9695@10.871452 10.871452 359.9695 552.3616@10.704282 10.704282 552.3616 538.3884@10.626526 10.626526 538.3884 922.5504@10.865292 10.865292 922.5504 656.0201@10.822941 10.822941 656.0201 318.0684@10.920889 10.920889 318.0684 115.0452@10.8638315 10.8638315 115.0452 335.0977@10.820902 10.820902 335.0977 389.2006@10.899712 10.899712 389.2006 C32 H62 O9 S4 Ser Ser Arg + 10.906904 634.4472@11.033588 11.033588 634.4472 359.9756@10.934421 10.934421 359.9756 335.0975@10.970229 10.970229 335.0975 115.0454@10.987592 10.987592 115.0454 241.2777@10.936957 10.936957 241.2777 552.362@10.728914 10.728914 552.362 357.2329@10.8997555 10.8997555 357.2329 537.3909@10.987718 10.987718 537.3909 572.456@11.027214 11.027214 572.456 C17 H37 N 2E,4Z-hexadecadienoic acid + 10.974914 554.3615@10.861419 10.861419 554.3615 552.3618@10.959188 10.959188 552.3618 357.2339@10.9765415 10.9765415 357.2339 537.3907@10.988867 10.988867 537.3907 C12 H20 N6 336.1003@11.069523 11.069523 336.1003 503.3122@11.07037 11.07037 503.3122 854.4603@11.047751 11.047751 854.4603 352.2416@11.31478 11.31478 352.2416 C17 H26 O3 S Lecanoric acid 789.5799@11.051893 11.051893 789.5799 865.6425@11.056287 11.056287 865.6425 C31 H56 N18 Phenoperidine C16 H29 N7 O2 6Z,9Z-hexadecadienoic acid 538.3892@11.085062 11.085062 538.3892 C23 H46 N2 O3 604.3975@11.1071415 11.1071415 604.3975 495.332@11.164829 11.164829 495.332 255.2898@11.0028715 11.0028715 255.2898 398.3498@11.0973425 11.0973425 398.3498 536.3884@11.1993065 11.1993065 536.3884 865.6413@11.09459 11.09459 865.6413 555.3639@11.1073675 11.1073675 555.3639 572.4572@11.113634 11.113634 572.4572 335.098@11.095691 11.095691 335.098 514.4059@11.156319 11.156319 514.4059 538.3847@11.184691 11.184691 538.3847 791.5669@11.188952 11.188952 791.5669 C23 H49 N O3 S2 538.8608@11.155603 11.155603 538.8608 255.2922@11.173381 11.173381 255.2922 519.3339@10.821429 10.821429 519.3339 358.2365@11.320134 11.320134 358.2365 384.1744@11.205359 11.205359 384.1744 538.3858@11.423393 11.423393 538.3858 971.6375@11.310997 11.310997 971.6375 746.3602@11.2065525 11.2065525 746.3602 724.3828@11.225402 11.225402 724.3828 634.4485@11.198799 11.198799 634.4485 703.505@11.209366 11.209366 703.505 898.5744@11.218545 11.218545 898.5744 514.4056@11.220552 11.220552 514.4056 357.2337@11.221749 11.221749 357.2337 362.1926@11.224047 11.224047 362.1926 538.1816@11.227578 11.227578 538.1816 791.5608@11.517241 11.517241 791.5608 659.4826@11.243128 11.243128 659.4826 599.4543@11.350373 11.350373 599.4543 747.5345@11.079981 11.079981 747.5345 Avermectin A2a 615.4526@11.236972 11.236972 615.4526 547.3797@11.520866 11.520866 547.3797 990.6657@11.241732 11.241732 990.6657 497.9945@11.26371 11.26371 497.9945 865.4878@11.261195 11.261195 865.4878 C22 H47 N9 S2 829.4963@11.25833 11.25833 829.4963 851.4787@11.2619705 11.2619705 851.4787 703.506@11.539632 11.539632 703.506 C23 H30 N20 O Ivermectin B1b GPGro(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 11.268117 840.0702@11.248992 11.248992 840.0702 839.9068@11.272752 11.272752 839.9068 823.5659@11.285499 11.285499 823.5659 856.5834@11.460938 11.460938 856.5834 840.1602@11.280773 11.280773 840.1602 2E,4Z-hexadecadienoic acid + 11.287469 659.4788@11.238759 11.238759 659.4788 797.0339@11.299184 11.299184 797.0339 496.6969@11.301707 11.301707 496.6969 477.3129@11.291982 11.291982 477.3129 796.1876@11.29892 11.29892 796.1876 527.4006@11.29923 11.29923 527.4006 800.4904@11.295227 11.295227 800.4904 816.4636@11.294317 11.294317 816.4636 C34 H46 N4 O7 S + 11.314661 451.3116@11.301744 11.301744 451.3116 531.7011@11.426371 11.426371 531.7011 615.4551@11.285813 11.285813 615.4551 C16 H46 Cl N15 SAPINDOSIDE A 796.8884@11.328952 11.328952 796.8884 927.6108@11.478927 11.478927 927.6108 680.4942@11.345891 11.345891 680.4942 439.3489@11.328873 11.328873 439.3489 885.592@11.373607 11.373607 885.592 865.6404@11.322146 11.322146 865.6404 129.0785@11.328948 11.328948 129.0785 367.2172@11.323722 11.323722 367.2172 572.455@11.320389 11.320389 572.455 395.325@11.350778 11.350778 395.325 357.2337@11.342288 11.342288 357.2337 690.4533@11.34312 11.34312 690.4533 428.2894@11.043452 11.043452 428.2894 C37 H64 N2 O8 S2 C42 H64 O7 S 527.4029@11.341845 11.341845 527.4029 979.5852@11.503072 11.503072 979.5852 684.3857@11.367739 11.367739 684.3857 666.7276@11.372113 11.372113 666.7276 537.391@11.301952 11.301952 537.391 664.7642@11.374694 11.374694 664.7642 664.0067@11.375124 11.375124 664.0067 C40 H60 O6 S 572.4541@11.308247 11.308247 572.4541 803.4835@11.364735 11.364735 803.4835 664.1637@11.368881 11.368881 664.1637 483.3759@11.346599 11.346599 483.3759 665.9723@11.373192 11.373192 665.9723 608.372@11.454235 11.454235 608.372 840.5626@11.383154 11.383154 840.5626 754.5176@11.422534 11.422534 754.5176 439.3505@11.3952 11.3952 439.3505 641.3612@11.3952 11.3952 641.3612 619.4318@11.524882 11.524882 619.4318 C38 H56 O5 S C12 H33 N7 O2 622.8012@11.401222 11.401222 622.8012 450.3078@11.465167 11.465167 450.3078 559.4612@11.405237 11.405237 559.4612 395.3232@11.357674 11.357674 395.3232 795.5363@11.350074 11.350074 795.5363 351.294@11.400494 11.400494 351.294 C33 H56 N2 O6 S2 496.335@11.307582 11.307582 496.335 634.4488@11.56582 11.56582 634.4488 578.1832@11.415275 11.415275 578.1832 884.5903@11.422728 11.422728 884.5903 578.6288@11.418286 11.418286 578.6288 587.4921@11.419291 11.419291 587.4921 576.8936@11.421298 11.421298 576.8936 C32 H48 N6 O S2 C36 H52 O4 S 643.5523@11.4085655 11.4085655 643.5523 C40 H61 N O10 537.3911@11.862119 11.862119 537.3911 297.3389@11.4225645 11.4225645 297.3389 534.7037@11.430332 11.430332 534.7037 572.4574@11.434347 11.434347 572.4574 865.6392@11.405916 11.405916 865.6392 797.5402@11.592938 11.592938 797.5402 847.5073@11.488877 11.488877 847.5073 494.8363@11.289039 11.289039 494.8363 533.0426@11.442363 11.442363 533.0426 531.3964@11.430993 11.430993 531.3964 708.4848@11.454568 11.454568 708.4848 531.8522@11.430721 11.430721 531.8522 840.5631@11.550868 11.550868 840.5631 842.6361@11.519236 11.519236 842.6361 538.0612@11.449405 11.449405 538.0612 790.5541@11.58972 11.58972 790.5541 552.3615@11.45694 11.45694 552.3615 C38 H57 N O9 + 11.442329 805.542@11.45738 11.45738 805.542 803.4817@11.464301 11.464301 803.4817 338.2448@11.466384 11.466384 338.2448 367.4171@11.2745 11.2745 367.4171 450.3047@11.431575 11.431575 450.3047 508.2807@11.454993 11.454993 508.2807 C27 H50 O2 S2 C25 H36 N10 O C18 H33 N O3 306.2531@11.605329 11.605329 306.2531 791.0568@11.641754 11.641754 791.0568 527.3936@11.468751 11.468751 527.3936 C18 H36 N2 O S2 355.2723@11.473374 11.473374 355.2723 779.5453@11.473496 11.473496 779.5453 Leupeptin 226.1227@11.467771 11.467771 226.1227 752.5108@11.491202 11.491202 752.5108 511.4177@11.560073 11.560073 511.4177 559.4586@11.476508 11.476508 559.4586 C23 H32 N10 16,16-dimethyl-PGF2beta C36 H53 N O8 329.328@11.460546 11.460546 329.328 404.2538@11.474178 11.474178 404.2538 C22 H44 N2 O2 S3 443.4981@11.478671 11.478671 443.4981 C15 H18 N4 O 759.4593@11.412863 11.412863 759.4593 314.1739@11.470479 11.470479 314.1739 516.4068@11.4905615 11.4905615 516.4068 634.4485@11.491565 11.491565 634.4485 839.5589@11.45319 11.45319 839.5589 779.5428@11.479461 11.479461 779.5428 587.4911@11.499596 11.499596 587.4911 C35 H53 N O2 S2 797.5396@11.772676 11.772676 797.5396 514.406@11.569435 11.569435 514.406 301.2965@11.360492 11.360492 301.2965 519.4118@11.720963 11.720963 519.4118 842.6365@11.576612 11.576612 842.6365 335.1041@11.550462 11.550462 335.1041 306.2516@11.438575 11.438575 306.2516 578.4135@11.750136 11.750136 578.4135 621.4342@11.576328 11.576328 621.4342 751.5063@11.423654 11.423654 751.5063 898.5708@11.488458 11.488458 898.5708 531.4309@11.442136 11.442136 531.4309 795.5343@11.525957 11.525957 795.5343 779.544@11.529711 11.529711 779.544 746.5271@11.609815 11.609815 746.5271 849.5809@11.530633 11.530633 849.5809 522.7749@11.531101 11.531101 522.7749 537.6683@11.283025 11.283025 537.6683 343.3451@11.519918 11.519918 343.3451 891.5248@11.541286 11.541286 891.5248 869.5198@11.527836 11.527836 869.5198 543.6103@11.531302 11.531302 543.6103 522.0291@11.5320835 11.5320835 522.0291 301.2977@11.410494 11.410494 301.2977 306.2521@11.733351 11.733351 306.2521 576.4061@11.521706 11.521706 576.4061 445.3301@11.564448 11.564448 445.3301 453.2867@11.631362 11.631362 453.2867 C36 H53 N O8 + 11.560845 620.4324@11.686272 11.686272 620.4324 516.4062@11.56585 11.56585 516.4062 519.4236@11.691411 11.691411 519.4236 C18 H22 N4 S 806.5639@11.573881 11.573881 806.5639 404.2564@11.587963 11.587963 404.2564 862.5383@11.569813 11.569813 862.5383 643.5542@11.506961 11.506961 643.5542 839.5608@11.504745 11.504745 839.5608 160.0888@11.569416 11.569416 160.0888 779.5388@11.934407 11.934407 779.5388 514.4061@11.605786 11.605786 514.4061 634.448@11.580909 11.580909 634.448 448.3101@11.5839205 11.5839205 448.3101 400.3015@11.614702 11.614702 400.3015 C34 H49 N O7 715.4312@11.587428 11.587428 715.4312 444.3273@11.59396 11.59396 444.3273 252.2066@11.469884 11.469884 252.2066 355.2713@11.743426 11.743426 355.2713 426.3003@11.57275 11.57275 426.3003 287.2455@11.564771 11.564771 287.2455 827.5437@11.660113 11.660113 827.5437 331.3238@11.5652485 11.5652485 331.3238 538.0195@11.7626915 11.7626915 538.0195 453.2906@11.57876 11.57876 453.2906 482.3574@11.706375 11.706375 482.3574 576.4065@11.616046 11.616046 576.4065 514.4063@11.718502 11.718502 514.4063 926.6627@11.633986 11.633986 926.6627 531.4321@11.617049 11.617049 531.4321 779.5449@11.800416 11.800416 779.5449 643.5554@11.623074 11.623074 643.5554 451.2855@11.6109085 11.6109085 451.2855 634.4485@11.698015 11.698015 634.4485 519.4211@11.744913 11.744913 519.4211 503.352@11.625835 11.625835 503.352 367.4161@11.487323 11.487323 367.4161 514.771@11.63512 11.63512 514.771 444.3274@11.639629 11.639629 444.3274 482.3565@11.763958 11.763958 482.3565 399.2983@11.74174 11.74174 399.2983 382.2662@11.623792 11.623792 382.2662 627.3758@11.579028 11.579028 627.3758 803.5078@11.720749 11.720749 803.5078 301.2977@11.752753 11.752753 301.2977 C17 H20 N2 S2 282.2549@11.723932 11.723932 282.2549 814.5619@11.676281 11.676281 814.5619 575.4037@11.662505 11.662505 575.4037 222.0862@11.675425 11.675425 222.0862 C11 H20 O5 S2 677.4482@11.705192 11.705192 677.4482 928.6619@11.643557 11.643557 928.6619 653.414@11.679887 11.679887 653.414 741.4504@11.686356 11.686356 741.4504 C22 H40 N2 S3 391.2806@11.629186 11.629186 391.2806 399.2981@11.880737 11.880737 399.2981 928.655@11.730978 11.730978 928.655 444.3275@11.725609 11.725609 444.3275 587.4935@11.712424 11.712424 587.4935 543.3383@11.714432 11.714432 543.3383 697.4208@11.711198 11.711198 697.4208 926.6629@11.737829 11.737829 926.6629 814.5443@11.698218 11.698218 814.5443 633.9205@11.732061 11.732061 633.9205 653.396@11.735733 11.735733 653.396 331.3232@11.765967 11.765967 331.3232 853.5757@11.864711 11.864711 853.5757 282.2544@11.837559 11.837559 282.2544 C19 H28 S2 937.6497@11.763222 11.763222 937.6497 609.367@11.73576 11.73576 609.367 525.4174@12.372748 12.372748 525.4174 707.4832@11.618849 11.618849 707.4832 724.5141@11.640029 11.640029 724.5141 567.3814@11.808058 11.808058 567.3814 538.0301@11.994715 11.994715 538.0301 491.3244@11.894 11.894 491.3244 565.448@11.917818 11.917818 565.448 636.4614@12.28358 12.28358 636.4614 702.5131@11.925541 11.925541 702.5131 565.3403@11.7924185 11.7924185 565.3403 893.6198@11.79005 11.79005 893.6198 926.6613@11.767644 11.767644 926.6613 575.4036@11.811821 11.811821 575.4036 399.3145@11.844908 11.844908 399.3145 545.3676@12.046039 12.046039 545.3676 545.8691@11.8112335 11.8112335 545.8691 492.3204@11.736804 11.736804 492.3204 726.0195@11.916545 11.916545 726.0195 717.5245@11.885968 11.885968 717.5245 819.5867@11.798702 11.798702 819.5867 849.597@11.818185 11.818185 849.597 775.5619@11.849398 11.849398 775.5619 721.4926@11.858033 11.858033 721.4926 367.417@11.86622 11.86622 367.417 731.5417@11.947899 11.947899 731.5417 572.4574@11.799454 11.799454 572.4574 352.134@11.869349 11.869349 352.134 797.5673@11.892568 11.892568 797.5673 C18 H31 N O3 941.6267@11.903531 11.903531 941.6267 761.555@11.878065 11.878065 761.555 501.3415@11.750845 11.750845 501.3415 842.6325@11.886118 11.886118 842.6325 282.2548@12.024578 12.024578 282.2548 985.6525@11.882446 11.882446 985.6525 604.3865@11.959607 11.959607 604.3865 827.5424@11.9392605 11.9392605 827.5424 C35 H73 N7 S3 531.4331@11.900179 11.900179 531.4331 514.4065@11.899847 11.899847 514.4065 775.5619@12.155091 12.155091 775.5619 510.3504@11.71929 11.71929 510.3504 634.4485@11.899316 11.899316 634.4485 731.5404@11.964924 11.964924 731.5404 811.6061@11.897716 11.897716 811.6061 572.4579@11.863661 11.863661 572.4579 717.5221@11.899359 11.899359 717.5221 331.324@11.997441 11.997441 331.324 13E,17-octadecadienoic acid + 11.910782 677.467@11.885343 11.885343 677.467 941.6275@11.921086 11.921086 941.6275 673.4958@11.910508 11.910508 673.4958 497.3771@12.02132 12.02132 497.3771 687.5106@11.865618 11.865618 687.5106 724.5138@11.943011 11.943011 724.5138 643.5414@12.415003 12.415003 643.5414 443.3247@11.756592 11.756592 443.3247 897.6007@12.003496 12.003496 897.6007 673.4966@11.943637 11.943637 673.4966 392.2846@11.882825 11.882825 392.2846 514.6729@12.314614 12.314614 514.6729 487.3503@11.9744835 11.9744835 487.3503 677.4694@11.895796 11.895796 677.4694 531.7017@11.9744835 11.9744835 531.7017 809.5603@11.979652 11.979652 809.5603 515.4089@11.976492 11.976492 515.4089 C18 H41 N7 O2 392.2904@12.093036 12.093036 392.2904 370.3081@11.971601 11.971601 370.3081 487.3512@12.041369 12.041369 487.3512 459.3378@12.218851 12.218851 459.3378 724.5152@12.087796 12.087796 724.5152 702.5004@11.996782 11.996782 702.5004 321.2731@12.091118 12.091118 321.2731 393.3021@12.027533 12.027533 393.3021 437.3344@12.020119 12.020119 437.3344 521.4187@12.103352 12.103352 521.4187 387.3323@12.016957 12.016957 387.3323 280.2399@12.100614 12.100614 280.2399 534.8856@11.924072 11.924072 534.8856 349.2886@12.010215 12.010215 349.2886 534.6504@12.045779 12.045779 534.6504 444.3266@12.046784 12.046784 444.3266 472.312@12.108896 12.108896 472.312 331.3227@12.161503 12.161503 331.3227 401.345@12.069346 12.069346 401.345 897.5992@12.049867 12.049867 897.5992 572.457@12.065864 12.065864 572.457 906.6879@12.035007 12.035007 906.6879 367.3012@12.06927 12.06927 367.3012 903.6872@12.067003 12.067003 903.6872 643.5536@12.084944 12.084944 643.5536 367.4173@12.07714 12.07714 367.4173 C27 H51 N O2 S 534.4323@11.884422 11.884422 534.4323 393.2951@12.052567 12.052567 393.2951 634.4485@12.304083 12.304083 634.4485 443.3242@12.091973 12.091973 443.3242 298.2505@12.105436 12.105436 298.2505 839.5594@12.365005 12.365005 839.5594 13E,17-octadecadienoic acid + 12.073682 GPIns(16:0/18:1(9Z)) + 12.047834 797.5685@12.289577 12.289577 797.5685 472.3146@11.866502 11.866502 472.3146 477.3981@12.23233 12.23233 477.3981 387.3329@12.119384 12.119384 387.3329 C25 H47 N O S 546.3956@12.214401 12.214401 546.3956 531.7074@11.882399 11.882399 531.7074 365.3132@12.105063 12.105063 365.3132 643.5554@12.127122 12.127122 643.5554 664.4532@12.03553 12.03553 664.4532 477.3963@12.182585 12.182585 477.3963 707.4813@12.096136 12.096136 707.4813 658.476@12.122904 12.122904 658.476 568.3559@12.41468 12.41468 568.3559 594.374@12.344503 12.344503 594.374 227.2294@12.206157 12.206157 227.2294 407.355@12.143176 12.143176 407.355 C32 H63 N O4 S2 542.3841@12.205491 12.205491 542.3841 564.4004@12.145086 12.145086 564.4004 644.5476@12.540482 12.540482 644.5476 590.4232@12.199482 12.199482 590.4232 700.5505@12.137616 12.137616 700.5505 531.7023@12.496492 12.496492 531.7023 284.326@12.186373 12.186373 284.326 721.4966@12.196846 12.196846 721.4966 587.4937@12.188381 12.188381 587.4937 658.9759@12.107066 12.107066 658.9759 502.3694@12.2087755 12.2087755 502.3694 477.3997@12.223376 12.223376 477.3997 413.314@12.205049 12.205049 413.314 317.2888@12.155753 12.155753 317.2888 283.3236@12.303003 12.303003 283.3236 C18 H41 N7 O 515.409@12.212484 12.212484 515.409 677.4709@12.300826 12.300826 677.4709 797.5664@12.482227 12.482227 797.5664 362.2903@12.273044 12.273044 362.2903 C25 H36 N2 O2 trans-3-Hydroxycotinine glucuronide + 12.100258 C27 H43 N S 280.2392@12.257919 12.257919 280.2392 5,11,14,17-Eicosatetraenoic acid 765.537@12.12086 12.12086 765.537 433.3694@12.346324 12.346324 433.3694 553.0116@12.238597 12.238597 553.0116 502.3677@12.234103 12.234103 502.3677 451.3759@12.231102 12.231102 451.3759 634.4477@12.551958 12.551958 634.4477 680.4871@11.90789 11.90789 680.4871 520.379@12.274061 12.274061 520.379 413.3202@12.321627 12.321627 413.3202 463.3286@12.286869 12.286869 463.3286 255.2925@12.177532 12.177532 255.2925 658.9766@12.64607 12.64607 658.9766 537.1385@12.652165 12.652165 537.1385 572.9023@12.240101 12.240101 572.9023 589.4187@12.25009 12.25009 589.4187 680.9893@12.43127 12.43127 680.9893 C29 H47 N S 533.6236@12.384381 12.384381 533.6236 327.292@12.269088 12.269088 327.292 677.4686@12.324338 12.324338 677.4686 C31 H45 N S 935.6644@12.352951 12.352951 935.6644 572.4562@12.2978525 12.2978525 572.4562 680.4872@12.122457 12.122457 680.4872 589.4243@12.294263 12.294263 589.4243 520.4022@12.442053 12.442053 520.4022 498.3616@12.263855 12.263855 498.3616 335.3131@12.485265 12.485265 335.3131 751.5079@12.64101 12.64101 751.5079 724.5152@12.456198 12.456198 724.5152 643.5559@12.315931 12.315931 643.5559 556.3854@12.178156 12.178156 556.3854 C22 H47 N 867.5909@12.309833 12.309833 867.5909 911.6153@12.286923 12.286923 911.6153 13E,17-octadecadienoic acid + 12.292003 382.0634@12.321858 12.321858 382.0634 995.688@12.324542 12.324542 995.688 823.5738@12.378182 12.378182 823.5738 643.5545@12.361129 12.361129 643.5545 426.3782@12.367842 12.367842 426.3782 572.4563@12.361129 12.361129 572.4563 927.6328@12.182939 12.182939 927.6328 951.6649@12.355659 12.355659 951.6649 534.6454@12.373181 12.373181 534.6454 616.3835@12.386077 12.386077 616.3835 643.5533@12.3882475 12.3882475 643.5533 C25 H45 N 995.5961@12.375202 12.375202 995.5961 533.4333@12.390257 12.390257 533.4333 426.3763@12.388788 12.388788 426.3763 397.3554@12.37675 12.37675 397.3554 700.5494@12.474312 12.474312 700.5494 3-O-Sulfogalactosylceramide 517.4069@12.314796 12.314796 517.4069 587.4933@12.705607 12.705607 587.4933 627.4902@12.406947 12.406947 627.4902 545.4028@12.394582 12.394582 545.4028 847.6196@12.427116 12.427116 847.6196 951.5704@12.413489 12.413489 951.5704 C33 H73 N11 O S3 C14 H28 N2 O S3 671.5191@12.571292 12.571292 671.5191 891.6379@12.386593 12.386593 891.6379 995.5957@12.436123 12.436123 995.5957 538.7573@12.444496 12.444496 538.7573 643.5508@12.468439 12.468439 643.5508 715.541@12.455943 12.455943 715.541 907.5448@12.447107 12.447107 907.5448 13E,17-octadecadienoic acid + 12.457504 534.4331@12.454541 12.454541 534.4331 418.3111@12.455544 12.455544 418.3111 C39 H69 N S3 692.4895@12.576736 12.576736 692.4895 1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) 847.6184@12.520808 12.520808 847.6184 951.5692@12.445982 12.445982 951.5692 822.6081@12.472621 12.472621 822.6081 537.6753@12.508986 12.508986 537.6753 531.7078@12.741943 12.741943 531.7078 863.5188@12.465854 12.465854 863.5188 643.5529@12.48367 12.48367 643.5529 C17 H29 N5 9-lauroleic acid 569.4491@12.520335 12.520335 569.4491 C22 H44 Cl N3 O3 907.5435@12.50113 12.50113 907.5435 C39 H69 N S3 + 12.490477 539.1255@12.46882 12.46882 539.1255 847.6108@12.439264 12.439264 847.6108 514.4043@12.85638 12.85638 514.4043 819.4941@12.498548 12.498548 819.4941 603.4489@12.525379 12.525379 603.4489 534.0496@12.520837 12.520837 534.0496 996.5996@12.555817 12.555817 996.5996 863.5179@12.51386 12.51386 863.5179 614.449@12.394942 12.394942 614.449 C40 H77 N O8 S 952.5761@12.589295 12.589295 952.5761 C29 H47 N S + 12.525233 803.5908@12.518011 12.518011 803.5908 C28 H49 N S2 268.2393@12.453126 12.453126 268.2393 775.4682@12.532857 12.532857 775.4682 559.4263@12.528699 12.528699 559.4263 335.3174@12.601087 12.601087 335.3174 541.4333@12.547679 12.547679 541.4333 819.492@12.542057 12.542057 819.492 546.3509@12.577648 12.577648 546.3509 C42 H61 N5 O4 S 303.2441@12.499259 12.499259 303.2441 951.5746@12.588458 12.588458 951.5746 524.0252@12.55884 12.55884 524.0252 C25 H45 N + 12.557064 572.4554@12.816738 12.816738 572.4554 775.4661@12.569108 12.569108 775.4661 OLEANDOMYCIN 700.548@12.648017 12.648017 700.548 462.3317@12.471773 12.471773 462.3317 863.5241@12.650526 12.650526 863.5241 671.5156@12.566421 12.566421 671.5156 715.5426@12.629481 12.629481 715.5426 C45 H57 N5 O4 765.5526@12.856099 12.856099 765.5526 Linoleamide 847.6048@12.532021 12.532021 847.6048 301.2408@12.63261 12.63261 301.2408 524.3671@12.650424 12.650424 524.3671 993.7166@12.661749 12.661749 993.7166 Oleandomycin 357.3567@12.60949 12.60949 357.3567 627.4935@12.643788 12.643788 627.4935 535.8852@12.651071 12.651071 535.8852 483.3627@12.702108 12.702108 483.3627 949.6909@12.655032 12.655032 949.6909 614.4484@12.948095 12.948095 614.4484 349.3167@13.250289 13.250289 349.3167 427.3978@12.66231 12.66231 427.3978 C37 H57 N O6 S 680.4848@12.68458 12.68458 680.4848 672.5195@12.617238 12.617238 672.5195 758.9359@12.692617 12.692617 758.9359 879.6921@12.683166 12.683166 879.6921 C16 H37 N7 O + 12.680452 573.4646@13.068363 13.068363 573.4646 949.6888@12.766951 12.766951 949.6888 532.8709@12.706682 12.706682 532.8709 424.3362@12.709873 12.709873 424.3362 716.547@12.681235 12.681235 716.547 483.3606@12.726785 12.726785 483.3606 373.2964@12.806827 12.806827 373.2964 602.4596@13.077303 13.077303 602.4596 700.5514@13.123242 13.123242 700.5514 C18 H41 N7 671.5171@12.757722 12.757722 671.5171 627.4934@12.78363 12.78363 627.4934 359.3217@12.805854 12.805854 359.3217 393.3418@12.7697115 12.7697115 393.3418 406.3203@12.74736 12.74736 406.3203 743.5669@12.584896 12.584896 743.5669 428.3036@12.748006 12.748006 428.3036 619.4295@12.949495 12.949495 619.4295 583.4654@12.699268 12.699268 583.4654 614.951@12.427601 12.427601 614.951 C26 H49 N O S + 12.752481 960.6836@12.752136 12.752136 960.6836 672.5216@12.76464 12.76464 672.5216 384.2848@12.773309 12.773309 384.2848 C21 H41 N5 O 627.4915@12.75504 12.75504 627.4915 C24 H42 S 905.6657@12.763931 12.763931 905.6657 526.3965@13.202583 13.202583 526.3965 817.6112@12.869629 12.869629 817.6112 861.6378@12.814802 12.814802 861.6378 222.0566@12.785994 12.785994 222.0566 725.0124@12.825579 12.825579 725.0124 296.0742@12.791626 12.791626 296.0742 583.4635@12.819224 12.819224 583.4635 847.5315@12.89153 12.89153 847.5315 572.902@12.863077 12.863077 572.902 724.5128@12.754886 12.754886 724.5128 759.2285@13.173734 13.173734 759.2285 351.3124@12.813354 12.813354 351.3124 644.5378@12.787332 12.787332 644.5378 715.5454@12.856914 12.856914 715.5454 570.4221@12.746803 12.746803 570.4221 507.3754@12.936464 12.936464 507.3754 697.5335@12.902583 12.902583 697.5335 515.4078@12.870268 12.870268 515.4078 861.6372@12.797739 12.797739 861.6372 572.904@12.854317 12.854317 572.904 729.5612@12.896539 12.896539 729.5612 589.4229@12.851746 12.851746 589.4229 347.2691@12.878729 12.878729 347.2691 437.3629@13.320556 13.320556 437.3629 583.4648@12.903855 12.903855 583.4648 318.2718@12.532621 12.532621 318.2718 715.5423@12.879077 12.879077 715.5423 483.3616@12.888776 12.888776 483.3616 507.3772@12.893837 12.893837 507.3772 743.5582@12.951013 12.951013 743.5582 949.6892@12.817509 12.817509 949.6892 685.527@13.092918 13.092918 685.527 795.5375@12.881539 12.881539 795.5375 614.9514@12.700544 12.700544 614.9514 819.5859@12.617197 12.617197 819.5859 359.3544@12.903127 12.903127 359.3544 583.4645@13.332095 13.332095 583.4645 416.0332@12.923195 12.923195 416.0332 481.2675@12.9160595 12.9160595 481.2675 410.1663@12.993561 12.993561 410.1663 C14 H28 N2 S4 C19 H22 N2 S3 C5 H9 N S + 12.914427 C9 H17 N S2 360.3583@12.935757 12.935757 360.3583 766.1481@12.914095 12.914095 766.1481 C22 H43 N O3 N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine 379.3118@12.815318 12.815318 379.3118 905.7059@12.955081 12.955081 905.7059 C19 H41 N3 O4 S 4-Chloro-N1-methyl-N1-(4-carboxy-2-hydroxy-2-methylbutyl)-m-benzenedisulfonamide 549.6185@13.1617985 13.1617985 549.6185 672.5207@12.881612 12.881612 672.5207 427.3747@12.876292 12.876292 427.3747 393.3337@12.99089 12.99089 393.3337 965.6935@12.889806 12.889806 965.6935 818.6074@13.168507 13.168507 818.6074 729.5586@13.019889 13.019889 729.5586 570.4247@12.906944 12.906944 570.4247 627.4928@13.148578 13.148578 627.4928 369.3241@12.981341 12.981341 369.3241 371.3352@13.056767 13.056767 371.3352 919.6804@13.067941 13.067941 919.6804 773.5885@13.001701 13.001701 773.5885 963.7045@12.7128315 12.7128315 963.7045 905.6955@12.933396 12.933396 905.6955 861.6354@13.083374 13.083374 861.6354 729.558@13.021612 13.021612 729.558 877.6375@12.943135 12.943135 877.6375 C25 H51 N O4 512.3803@13.099729 13.099729 512.3803 C15 H31 N15 426.2441@13.128387 13.128387 426.2441 779.5453@12.660586 12.660586 779.5453 636.9634@12.920449 12.920449 636.9634 861.6366@13.055071 13.055071 861.6366 371.3368@13.376847 13.376847 371.3368 avobenzone 680.4873@12.9061165 12.9061165 680.4873 963.7052@13.067171 13.067171 963.7052 369.3234@13.068057 13.068057 369.3234 817.609@13.305883 13.305883 817.609 512.3804@13.176267 13.176267 512.3804 729.5592@13.16058 13.16058 729.5592 789.5997@13.420647 13.420647 789.5997 592.9394@12.93713 12.93713 592.9394 589.4181@13.195385 13.195385 589.4181 496.3957@13.271008 13.271008 496.3957 379.2785@13.131122 13.131122 379.2785 325.2971@13.098514 13.098514 325.2971 629.4589@13.378072 13.378072 629.4589 456.324@13.813365 13.813365 456.324 799.5998@13.245134 13.245134 799.5998 531.4252@13.065457 13.065457 531.4252 515.4006@13.008057 13.008057 515.4006 272.1761@13.109414 13.109414 272.1761 776.5457@13.338317 13.338317 776.5457 813.6143@13.258832 13.258832 813.6143 791.572@13.203565 13.203565 791.572 250.1885@13.175357 13.175357 250.1885 915.5188@13.05353 13.05353 915.5188 993.7404@13.123096 13.123096 993.7404 733.5607@13.326008 13.326008 733.5607 810.6141@13.11255 13.11255 810.6141 446.3392@13.031107 13.031107 446.3392 685.5322@13.113419 13.113419 685.5322 391.2986@12.8208685 12.8208685 391.2986 765.5636@13.1446905 13.1446905 765.5636 919.6785@13.116691 13.116691 919.6785 310.1589@13.030783 13.030783 310.1589 847.5358@13.116495 13.116495 847.5358 795.5391@13.429147 13.429147 795.5391 641.5069@13.126936 13.126936 641.5069 758.2079@13.19524 13.19524 758.2079 992.7392@13.139373 13.139373 992.7392 746.5592@12.936808 12.936808 746.5592 320.2029@13.143476 13.143476 320.2029 773.5828@13.048571 13.048571 773.5828 355.3377@12.742875 12.742875 355.3377 831.6019@13.305084 13.305084 831.6019 369.322@13.049652 13.049652 369.322 726.562@13.396633 13.396633 726.562 345.2777@13.167022 13.167022 345.2777 875.6562@13.029135 13.029135 875.6562 478.3612@13.104428 13.104428 478.3612 685.5327@13.243229 13.243229 685.5327 701.5357@13.166 13.166 701.5357 350.2469@13.08594 13.08594 350.2469 598.464@13.311211 13.311211 598.464 795.5388@13.331287 13.331287 795.5388 Octocrylene 548.9115@13.199766 13.199766 548.9115 Cys Ala Gly Doxapram 744.392@13.172038 13.172038 744.392 Ala Phe Phe 481.2523@13.177493 13.177493 481.2523 424.2137@13.177094 13.177094 424.2137 C21 H25 N3 O3 S 780.5467@12.900581 12.900581 780.5467 380.2424@13.201048 13.201048 380.2424 919.6798@13.150567 13.150567 919.6798 C28 H43 N 875.6549@13.239757 13.239757 875.6549 992.7393@13.525118 13.525118 992.7393 589.4325@13.246258 13.246258 589.4325 543.4111@13.379073 13.379073 543.4111 875.6528@13.585976 13.585976 875.6528 765.4541@13.220871 13.220871 765.4541 C39 H51 N9 O3 S 945.5265@13.222464 13.222464 945.5265 C13 H39 N13 O 311.3548@13.250335 13.250335 311.3548 367.2523@13.118123 13.118123 367.2523 641.5072@13.271236 13.271236 641.5072 C23 H49 N3 S 592.9382@13.284859 13.284859 592.9382 378.2318@13.253406 13.253406 378.2318 993.7306@13.859344 13.859344 993.7306 382.2783@13.257207 13.257207 382.2783 609.4169@13.405179 13.405179 609.4169 346.2758@13.252133 13.252133 346.2758 831.6171@13.293153 13.293153 831.6171 378.2309@13.334365 13.334365 378.2309 318.26@13.047314 13.047314 318.26 991.7367@13.341481 13.341481 991.7367 806.5651@13.305569 13.305569 806.5651 255.2616@13.286519 13.286519 255.2616 277.2344@13.285183 13.285183 277.2344 630.4441@13.472102 13.472102 630.4441 799.5863@13.278187 13.278187 799.5863 919.6778@13.3115225 13.3115225 919.6778 485.3524@13.3194065 13.3194065 485.3524 947.7105@13.49544 13.49544 947.7105 572.4577@13.418685 13.418685 572.4577 570.4266@13.703518 13.703518 570.4266 805.559@13.355207 13.355207 805.559 378.2324@13.5584755 13.5584755 378.2324 843.5354@13.394223 13.394223 843.5354 399.3626@13.244504 13.244504 399.3626 407.3441@13.572328 13.572328 407.3441 517.4122@13.360848 13.360848 517.4122 815.628@13.491307 13.491307 815.628 806.5648@13.384186 13.384186 806.5648 444.3233@13.242154 13.242154 444.3233 C27 H38 N4 O3 905.6911@13.369587 13.369587 905.6911 597.4806@13.303486 13.303486 597.4806 576.4079@13.009525 13.009525 576.4079 355.3379@13.368117 13.368117 355.3379 522.3677@13.383352 13.383352 522.3677 906.6914@13.441559 13.441559 906.6914 553.4396@13.389133 13.389133 553.4396 947.7104@13.789946 13.789946 947.7104 589.429@13.22731 13.22731 589.429 C25 H47 N S 572.4479@13.516188 13.516188 572.4479 875.6625@13.584026 13.584026 875.6625 350.2993@13.30816 13.30816 350.2993 827.5466@13.178627 13.178627 827.5466 517.4136@13.548732 13.548732 517.4136 825.5992@13.529628 13.529628 825.5992 651.5633@13.573591 13.573591 651.5633 560.3884@13.452812 13.452812 560.3884 352.2518@13.424695 13.424695 352.2518 759.8898@13.462367 13.462367 759.8898 927.6175@13.21368 13.21368 927.6175 482.8722@13.410158 13.410158 482.8722 522.3595@13.366501 13.366501 522.3595 506.3616@13.533789 13.533789 506.3616 424.8069@13.493527 13.493527 424.8069 424.7171@13.493527 13.493527 424.7171 Lys Lys Lys 597.4826@13.4679785 13.4679785 597.4826 933.6954@13.498996 13.498996 933.6954 688.4924@13.298129 13.298129 688.4924 693.5028@13.47065 13.47065 693.5028 578.5182@13.509762 13.509762 578.5182 699.5507@13.487688 13.487688 699.5507 517.4127@13.540701 13.540701 517.4127 812.6153@13.293492 13.293492 812.6153 795.5475@13.816248 13.816248 795.5475 651.5601@13.676081 13.676081 651.5601 855.5908@13.79393 13.79393 855.5908 779.544@13.522678 13.522678 779.544 831.589@13.283801 13.283801 831.589 979.6985@13.501663 13.501663 979.6985 331.2753@13.579895 13.579895 331.2753 303.2397@13.499533 13.499533 303.2397 827.5433@13.339563 13.339563 827.5433 905.6881@13.593216 13.593216 905.6881 437.496@13.524395 13.524395 437.496 765.5679@13.681072 13.681072 765.5679 375.3108@13.536393 13.536393 375.3108 825.5923@13.7414665 13.7414665 825.5923 880.583@13.535769 13.535769 880.583 438.3385@13.344303 13.344303 438.3385 725.582@13.515037 13.515037 725.582 787.5971@13.480056 13.480056 787.5971 834.5964@13.506438 13.506438 834.5964 798.5913@13.707648 13.707648 798.5913 655.5231@13.401325 13.401325 655.5231 597.4794@13.533734 13.533734 597.4794 933.6925@13.513768 13.513768 933.6925 492.358@13.649431 13.649431 492.358 859.659@13.540867 13.540867 859.659 360.2301@13.538486 13.538486 360.2301 889.6677@13.516039 13.516039 889.6677 699.5486@13.551318 13.551318 699.5486 903.6837@13.484059 13.484059 903.6837 375.3095@13.549104 13.549104 375.3095 935.6751@13.537879 13.537879 935.6751 776.225@13.58148 13.58148 776.225 446.3383@13.37599 13.37599 446.3383 504.3847@13.218904 13.218904 504.3847 440.2846@13.581617 13.581617 440.2846 707.4808@13.410151 13.410151 707.4808 761.0749@13.694133 13.694133 761.0749 806.5654@13.579977 13.579977 806.5654 739.6256@13.507725 13.507725 739.6256 759.8949@13.696164 13.696164 759.8949 438.3439@13.475952 13.475952 438.3439 827.5446@13.642509 13.642509 827.5446 845.6406@13.575711 13.575711 845.6406 923.2801@14.002704 14.002704 923.2801 446.3405@13.605015 13.605015 446.3405 437.4951@13.510711 13.510711 437.4951 584.434@13.775989 13.775989 584.434 845.6437@13.659036 13.659036 845.6437 847.6215@13.615937 13.615937 847.6215 776.2297@13.597214 13.597214 776.2297 903.684@13.659723 13.659723 903.684 520.396@13.780114 13.780114 520.396 683.5488@13.813652 13.813652 683.5488 432.3242@13.417371 13.417371 432.3242 817.6337@13.615738 13.615738 817.6337 699.5484@13.710941 13.710941 699.5484 889.6687@13.651886 13.651886 889.6687 651.5532@13.656341 13.656341 651.5532 655.5142@13.438142 13.438142 655.5142 671.5176@13.589692 13.589692 671.5176 833.5911@13.938369 13.938369 833.5911 820.5919@13.579459 13.579459 820.5919 837.6229@13.9614935 13.9614935 837.6229 269.2724@13.610088 13.610088 269.2724 891.6602@13.642303 13.642303 891.6602 905.6872@13.787408 13.787408 905.6872 640.5006@13.667042 13.667042 640.5006 815.6322@13.648671 13.648671 815.6322 419.3244@13.701967 13.701967 419.3244 799.6111@13.580114 13.580114 799.6111 578.5176@13.648571 13.648571 578.5176 805.5609@13.880773 13.880773 805.5609 667.5256@13.921193 13.921193 667.5256 810.6178@13.454891 13.454891 810.6178 492.3459@13.704941 13.704941 492.3459 785.5958@13.656704 13.656704 785.5958 757.5629@13.491989 13.491989 757.5629 685.5573@13.729621 13.729621 685.5573 787.6084@13.861252 13.861252 787.6084 803.5928@13.650169 13.650169 803.5928 760.1948@13.406918 13.406918 760.1948 739.6274@13.675479 13.675479 739.6274 875.7795@13.568596 13.568596 875.7795 C18 H36 N2 O2 S2 523.4396@13.726353 13.726353 523.4396 743.5775@13.627872 13.627872 743.5775 651.4414@13.665684 13.665684 651.4414 879.7357@13.934119 13.934119 879.7357 446.3413@13.378876 13.378876 446.3413 605.4417@13.67299 13.67299 605.4417 810.619@13.587592 13.587592 810.619 655.5226@13.827029 13.827029 655.5226 473.3133@13.947449 13.947449 473.3133 Lithocholic acid glycine conjugate 730.5563@13.884766 13.884766 730.5563 C24 H45 N O4 772.6065@13.609929 13.609929 772.6065 475.3418@13.68712 13.68712 475.3418 394.2885@13.676432 13.676432 394.2885 801.6116@13.928683 13.928683 801.6116 130.1546@13.9801445 13.9801445 130.1546 578.517@13.739821 13.739821 578.517 475.3392@13.681476 13.681476 475.3392 C34 H73 N11 O S2 772.607@13.743283 13.743283 772.607 748.5259@13.565765 13.565765 748.5259 816.6356@13.709433 13.709433 816.6356 773.596@13.610987 13.610987 773.596 322.161@13.766001 13.766001 322.161 C15 H14 N8 O2 S 801.598@13.805933 13.805933 801.598 C27 H49 N 567.4576@13.53624 13.53624 567.4576 656.495@13.462959 13.462959 656.495 729.5325@13.687172 13.687172 729.5325 578.5137@13.658221 13.658221 578.5137 696.5734@13.789085 13.789085 696.5734 720.5299@13.791097 13.791097 720.5299 607.5355@13.939033 13.939033 607.5355 446.3399@13.783775 13.783775 446.3399 815.6342@13.722046 13.722046 815.6342 611.4967@13.770464 13.770464 611.4967 654.3036@13.790861 13.790861 654.3036 549.6204@13.761111 13.761111 549.6204 322.1594@13.775416 13.775416 322.1594 705.4995@14.044276 14.044276 705.4995 407.351@13.822437 13.822437 407.351 991.7314@13.605074 13.605074 991.7314 672.5217@13.798185 13.798185 672.5217 637.5969@13.840363 13.840363 637.5969 607.5241@13.780825 13.780825 607.5241 948.7129@13.568256 13.568256 948.7129 C36 H69 N15 O 846.6432@13.669087 13.669087 846.6432 772.6065@14.134138 14.134138 772.6065 446.3426@13.965509 13.965509 446.3426 663.4511@13.6515875 13.6515875 663.4511 625.2229@13.523073 13.523073 625.2229 748.5281@13.976092 13.976092 748.5281 637.5909@13.901868 13.901868 637.5909 423.275@13.776236 13.776236 423.275 845.633@13.86108 13.86108 845.633 505.365@13.903496 13.903496 505.365 530.4009@13.813195 13.813195 530.4009 798.6187@13.872769 13.872769 798.6187 333.3006@13.895555 13.895555 333.3006 627.5059@13.783307 13.783307 627.5059 607.5299@13.861165 13.861165 607.5299 426.3654@14.03278 14.03278 426.3654 771.6048@13.757743 13.757743 771.6048 411.3345@13.8670435 13.8670435 411.3345 903.6867@13.805234 13.805234 903.6867 Lithocholic acid glycine conjugate + 13.876054 641.5085@13.816984 13.816984 641.5085 381.4331@13.893265 13.893265 381.4331 729.536@13.789665 13.789665 729.536 850.6655@14.066196 14.066196 850.6655 438.343@13.800498 13.800498 438.343 684.5597@14.149605 14.149605 684.5597 581.52@13.988697 13.988697 581.52 555.4228@13.884842 13.884842 555.4228 637.5976@13.930856 13.930856 637.5976 428.3618@13.914983 13.914983 428.3618 991.7359@14.015056 14.015056 991.7359 808.5825@14.138294 14.138294 808.5825 567.4673@13.874491 13.874491 567.4673 530.4003@13.992345 13.992345 530.4003 570.9208@13.822029 13.822029 570.9208 903.686@14.196151 14.196151 903.686 889.6387@13.938782 13.938782 889.6387 713.5638@14.00726 14.00726 713.5638 625.2237@13.72919 13.72919 625.2237 782.988@13.937994 13.937994 782.988 815.6311@14.236155 14.236155 815.6311 438.1268@13.939955 13.939955 438.1268 C27 H27 Cl2 N3 O 859.6584@13.782211 13.782211 859.6584 361.2652@13.958212 13.958212 361.2652 366.223@13.956933 13.956933 366.223 C23 H45 N5 O 493.5579@14.039982 14.039982 493.5579 605.4405@14.071213 14.071213 605.4405 727.5802@14.008241 14.008241 727.5802 553.3973@14.046799 14.046799 553.3973 663.6064@14.218603 14.218603 663.6064 530.4011@13.982956 13.982956 530.4011 975.705@14.017568 14.017568 975.705 783.2018@13.611761 13.611761 783.2018 781.8913@14.007548 14.007548 781.8913 904.6963@13.724722 13.724722 904.6963 15(R)-HEDE 527.3964@14.010635 14.010635 527.3964 976.7099@14.061128 14.061128 976.7099 784.0161@13.774177 13.774177 784.0161 991.7374@14.080394 14.080394 991.7374 859.6568@14.037564 14.037564 859.6568 959.6753@14.005892 14.005892 959.6753 494.5607@14.046214 14.046214 494.5607 819.548@13.58018 13.58018 819.548 930.6331@14.002339 14.002339 930.6331 637.5981@14.409726 14.409726 637.5981 787.009@14.164086 14.164086 787.009 596.7453@14.068775 14.068775 596.7453 C31 H65 N11 O3 N,N-dimethylsphing-4-enine 830.5658@14.131879 14.131879 830.5658 656.5242@13.553008 13.553008 656.5242 915.6476@14.043075 14.043075 915.6476 851.692@14.137505 14.137505 851.692 625.227@14.013366 14.013366 625.227 461.139@14.077938 14.077938 461.139 807.5779@13.911076 13.911076 807.5779 407.3591@13.677915 13.677915 407.3591 683.5553@13.871196 13.871196 683.5553 493.5583@14.071524 14.071524 493.5583 535.1586@14.16848 14.16848 535.1586 383.37@14.054922 14.054922 383.37 783.2001@14.089737 14.089737 783.2001 860.6611@13.781171 13.781171 860.6611 582.0683@14.066904 14.066904 582.0683 949.7055@13.997022 13.997022 949.7055 871.6206@14.093393 14.093393 871.6206 327.3141@14.052778 14.052778 327.3141 494.5622@14.162247 14.162247 494.5622 656.5082@14.105827 14.105827 656.5082 739.6311@14.109849 14.109849 739.6311 573.4735@14.108955 14.108955 573.4735 905.6827@14.087414 14.087414 905.6827 429.3709@14.121418 14.121418 429.3709 827.6061@14.093919 14.093919 827.6061 590.4521@13.8735 13.8735 590.4521 859.6584@14.129963 14.129963 859.6584 (6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct / (6RS)-22-oxo-23,24,25,26 669.5143@14.128521 14.128521 669.5143 664.6098@14.152809 14.152809 664.6098 625.2273@14.213892 14.213892 625.2273 739.6304@14.143036 14.143036 739.6304 557.4525@14.160666 14.160666 557.4525 428.3646@13.9196005 13.9196005 428.3646 609.5288@14.342966 14.342966 609.5288 562.4216@14.144196 14.144196 562.4216 716.5382@14.05623 14.05623 716.5382 931.6818@14.121967 14.121967 931.6818 861.6414@14.079783 14.079783 861.6414 537.1573@14.180115 14.180115 537.1573 843.0782@14.155546 14.155546 843.0782 757.2131@14.159127 14.159127 757.2131 493.5583@14.177684 14.177684 493.5583 562.4208@14.284596 14.284596 562.4208 C27 H59 N15 S 875.7816@14.353583 14.353583 875.7816 428.3652@14.16735 14.16735 428.3652 551.4904@14.198473 14.198473 551.4904 875.6806@14.108489 14.108489 875.6806 573.4728@14.17402 14.17402 573.4728 663.6022@14.222514 14.222514 663.6022 658.4597@14.182259 14.182259 658.4597 685.5427@14.247107 14.247107 685.5427 339.3859@14.117528 14.117528 339.3859 630.4508@14.142506 14.142506 630.4508 823.6262@14.005298 14.005298 823.6262 535.1578@14.198991 14.198991 535.1578 609.5424@14.25039 14.25039 609.5424 705.5122@13.913977 13.913977 705.5122 627.5239@14.0902195 14.0902195 627.5239 729.5364@14.239753 14.239753 729.5364 C17 H39 Cl N4 O2 586.4263@14.053588 14.053588 586.4263 741.599@14.532344 14.532344 741.599 849.6563@14.006763 14.006763 849.6563 769.5896@14.136029 14.136029 769.5896 915.6496@14.032878 14.032878 915.6496 854.6342@14.192315 14.192315 854.6342 669.5345@14.158894 14.158894 669.5345 640.5173@14.441214 14.441214 640.5173 536.5172@13.811698 13.811698 536.5172 774.5945@13.679808 13.679808 774.5945 827.5812@14.149927 14.149927 827.5812 811.611@14.353482 14.353482 811.611 699.5513@14.299315 14.299315 699.5513 683.5566@14.21388 14.21388 683.5566 803.8836@13.999794 13.999794 803.8836 718.5276@14.028369 14.028369 718.5276 807.5781@14.136838 14.136838 807.5781 845.594@14.434443 14.434443 845.594 782.5668@14.082251 14.082251 782.5668 C15 H28 N2 O4 830.5649@14.208128 14.208128 830.5649 725.5898@14.325855 14.325855 725.5898 538.1486@14.18291 14.18291 538.1486 690.5172@14.192969 14.192969 690.5172 C28 H50 Cl N5 O 578.5122@14.081421 14.081421 578.5122 C30 H51 N3 O2 S 658.4593@14.214441 14.214441 658.4593 C28 H55 N O4 849.6454@14.142054 14.142054 849.6454 847.6105@14.113035 14.113035 847.6105 875.7829@14.269492 14.269492 875.7829 960.8023@14.212842 14.212842 960.8023 581.452@14.190227 14.190227 581.452 755.8528@14.203787 14.203787 755.8528 871.6118@14.12049 14.12049 871.6118 603.4109@13.718405 13.718405 603.4109 812.6149@14.290567 14.290567 812.6149 773.5874@14.241919 14.241919 773.5874 418.3097@14.099438 14.099438 418.3097 494.5593@14.225504 14.225504 494.5593 269.2361@14.200878 14.200878 269.2361 563.5075@14.2249565 14.2249565 563.5075 639.5275@14.262807 14.262807 639.5275 699.56@14.231539 14.231539 699.56 C27 H50 O S2 339.3864@14.188723 14.188723 339.3864 735.0056@14.216895 14.216895 735.0056 440.2926@14.092784 14.092784 440.2926 595.4993@14.345014 14.345014 595.4993 419.3234@14.294356 14.294356 419.3234 494.0183@14.229163 14.229163 494.0183 875.6629@14.273625 14.273625 875.6629 549.2105@14.292991 14.292991 549.2105 871.6027@14.185974 14.185974 871.6027 804.8779@14.018173 14.018173 804.8779 573.472@14.231028 14.231028 573.472 798.565@14.143365 14.143365 798.565 821.5939@13.76903 13.76903 821.5939 691.496@14.273073 14.273073 691.496 774.2424@14.252301 14.252301 774.2424 551.4877@14.192484 14.192484 551.4877 781.9014@14.189694 14.189694 781.9014 875.7796@14.614637 14.614637 875.7796 799.0522@14.209951 14.209951 799.0522 395.4488@14.199781 14.199781 395.4488 757.568@14.483831 14.483831 757.568 829.5608@14.332256 14.332256 829.5608 615.4572@13.771561 13.771561 615.4572 760.5831@14.331594 14.331594 760.5831 651.9494@14.291082 14.291082 651.9494 725.5989@14.493166 14.493166 725.5989 788.6061@14.322211 14.322211 788.6061 713.5626@14.492258 14.492258 713.5626 807.5793@14.357726 14.357726 807.5793 819.5307@14.365239 14.365239 819.5307 494.3863@14.195529 14.195529 494.3863 801.567@13.818668 13.818668 801.567 782.5681@14.267815 14.267815 782.5681 854.6043@13.890866 13.890866 854.6043 921.0025@14.004051 14.004051 921.0025 609.5337@14.331751 14.331751 609.5337 785.5953@14.165329 14.165329 785.5953 698.9514@14.28716 14.28716 698.9514 823.6151@14.51144 14.51144 823.6151 625.5014@14.220551 14.220551 625.5014 339.3869@14.249777 14.249777 339.3869 739.6283@14.294902 14.294902 739.6283 440.2969@14.140521 14.140521 440.2969 876.6646@14.571777 14.571777 876.6646 996.3074@14.507661 14.507661 996.3074 841.6144@14.385692 14.385692 841.6144 310.283@14.262335 14.262335 310.283 991.7301@14.617519 14.617519 991.7301 697.5677@14.179171 14.179171 697.5677 C37 H75 N5 O2 S2 454.3281@14.192026 14.192026 454.3281 792.0484@13.8117695 13.8117695 792.0484 867.6684@14.313006 14.313006 867.6684 676.9389@14.297835 14.297835 676.9389 815.6216@14.655176 14.655176 815.6216 669.514@14.35776 14.35776 669.514 C33 H7 N3 O10 S2 819.5293@14.215648 14.215648 819.5293 551.4881@14.22847 14.22847 551.4881 771.6024@14.215875 14.215875 771.6024 607.5409@14.199131 14.199131 607.5409 589.4437@14.451857 14.451857 589.4437 605.4523@13.59902 13.59902 605.4523 C26 H47 N S 395.4477@14.168826 14.168826 395.4477 660.4749@14.340163 14.340163 660.4749 573.4737@14.321614 14.321614 573.4737 713.5717@14.460141 14.460141 713.5717 646.9439@14.336733 14.336733 646.9439 512.3931@14.332912 14.332912 512.3931 782.5662@14.35324 14.35324 782.5662 521.5895@14.215876 14.215876 521.5895 609.5426@14.307827 14.307827 609.5426 299.2758@14.466635 14.466635 299.2758 339.3855@14.362896 14.362896 339.3855 469.4086@14.5205555 14.5205555 469.4086 573.4727@14.458896 14.458896 573.4727 624.9309@14.358649 14.358649 624.9309 440.2931@14.337627 14.337627 440.2931 625.4563@14.364493 14.364493 625.4563 803.5462@14.398858 14.398858 803.5462 551.4903@14.388715 14.388715 551.4903 757.2133@14.382408 14.382408 757.2133 710.9987@14.423705 14.423705 710.9987 782.062@13.9558325 13.9558325 782.062 867.6607@14.387438 14.387438 867.6607 739.6306@14.387438 14.387438 739.6306 632.9108@14.360463 14.360463 632.9108 688.4906@14.3924675 14.3924675 688.4906 774.254@14.306593 14.306593 774.254 829.5592@14.333872 14.333872 829.5592 521.5896@14.404417 14.404417 521.5896 799.5996@14.315167 14.315167 799.5996 725.5824@14.428448 14.428448 725.5824 418.3083@14.26636 14.26636 418.3083 732.5211@14.416609 14.416609 732.5211 805.7011@14.571469 14.571469 805.7011 692.5006@14.275642 14.275642 692.5006 305.2681@14.406403 14.406403 305.2681 777.5363@13.871761 13.871761 777.5363 440.2919@14.384125 14.384125 440.2919 554.4458@14.375378 14.375378 554.4458 625.464@14.349879 14.349879 625.464 935.5597@14.366412 14.366412 935.5597 551.4898@14.589767 14.589767 551.4898 507.4472@14.404043 14.404043 507.4472 451.5111@14.403934 14.403934 451.5111 733.0136@14.209377 14.209377 733.0136 521.5895@14.440994 14.440994 521.5895 579.1193@14.422664 14.422664 579.1193 592.5791@14.721806 14.721806 592.5791 580.9026@14.416572 14.416572 580.9026 660.4663@14.316439 14.316439 660.4663 721.505@14.253799 14.253799 721.505 979.5937@14.398393 14.398393 979.5937 418.3089@14.39794 14.39794 418.3089 283.2921@14.567991 14.567991 283.2921 510.4133@14.462553 14.462553 510.4133 521.5902@14.445503 14.445503 521.5902 851.6681@14.078687 14.078687 851.6681 959.7415@14.477943 14.477943 959.7415 666.4713@14.25334 14.25334 666.4713 718.5312@14.478975 14.478975 718.5312 692.514@14.587429 14.587429 692.514 725.5772@14.31876 14.31876 725.5772 557.1826@14.48501 14.48501 557.1826 798.0431@14.381292 14.381292 798.0431 362.2466@14.382182 14.382182 362.2466 878.2727@14.463657 14.463657 878.2727 C18 H36 N2 S4 C17 H20 Cl2 N8 O4 689.4952@14.449961 14.449961 689.4952 519.4792@14.529129 14.529129 519.4792 819.7135@14.237913 14.237913 819.7135 558.891@14.462906 14.462906 558.891 644.46@14.500641 14.500641 644.46 465.4031@14.516792 14.516792 465.4031 536.8759@14.4972925 14.4972925 536.8759 951.6955@14.518207 14.518207 951.6955 521.5901@14.506173 14.506173 521.5901 757.2131@14.519213 14.519213 757.2131 688.4929@14.630513 14.630513 688.4929 996.3073@14.696765 14.696765 996.3073 600.434@14.532027 14.532027 600.434 849.6696@14.3769865 14.3769865 849.6696 544.8596@14.501159 14.501159 544.8596 531.4013@14.496512 14.496512 531.4013 901.6927@14.6810055 14.6810055 901.6927 568.3573@14.028126 14.028126 568.3573 479.5414@14.566654 14.566654 479.5414 777.5421@14.285251 14.285251 777.5421 651.4279@14.602337 14.602337 651.4279 421.3744@14.444172 14.444172 421.3744 622.4482@14.273775 14.273775 622.4482 519.4728@14.505972 14.505972 519.4728 521.5905@14.56337 14.56337 521.5905 595.4901@14.672182 14.672182 595.4901 375.3702@14.5350485 14.5350485 375.3702 709.9898@14.557441 14.557441 709.9898 504.383@14.502769 14.502769 504.383 514.8613@14.553418 14.553418 514.8613 622.9477@14.637475 14.637475 622.9477 568.3577@14.432603 14.432603 568.3577 666.9744@14.651442 14.651442 666.9744 993.3129@14.5449705 14.5449705 993.3129 418.3092@14.574016 14.574016 418.3092 614.5602@14.343911 14.343911 614.5602 440.2923@14.623762 14.623762 440.2923 951.5746@14.537152 14.537152 951.5746 446.3409@14.523932 14.523932 446.3409 470.0989@14.594425 14.594425 470.0989 669.5352@14.20622 14.20622 669.5352 890.7333@14.575548 14.575548 890.7333 377.3501@14.542429 14.542429 377.3501 915.7148@14.49445 14.49445 915.7148 521.5899@14.610342 14.610342 521.5899 479.5405@14.569339 14.569339 479.5405 523.4379@14.277895 14.277895 523.4379 910.7058@14.393044 14.393044 910.7058 984.6372@14.5732 14.5732 984.6372 622.4453@14.659509 14.659509 622.4453 963.7087@14.548419 14.548419 963.7087 568.3579@14.527381 14.527381 568.3579 498.8135@14.604723 14.604723 498.8135 588.4537@14.184125 14.184125 588.4537 556.4068@14.410076 14.410076 556.4068 915.717@14.641973 14.641973 915.717 847.2746@14.444219 14.444219 847.2746 880.7266@14.403381 14.403381 880.7266 553.3892@14.087452 14.087452 553.3892 418.308@14.619232 14.619232 418.308 655.5393@14.395074 14.395074 655.5393 889.6405@14.461922 14.461922 889.6405 475.457@14.633354 14.633354 475.457 711.5769@14.297587 14.297587 711.5769 580.2349@14.610572 14.610572 580.2349 922.689@14.62585 14.62585 922.689 951.5725@14.564884 14.564884 951.5725 472.0975@14.613909 14.613909 472.0975 469.3731@14.349118 14.349118 469.3731 578.9216@14.603387 14.603387 578.9216 711.0023@14.686448 14.686448 711.0023 468.8566@14.649995 14.649995 468.8566 475.4584@14.675675 14.675675 475.4584 922.6946@14.375269 14.375269 922.6946 502.0699@14.631016 14.631016 502.0699 819.7137@14.660055 14.660055 819.7137 965.7163@14.735219 14.735219 965.7163 711.5534@14.570163 14.570163 711.5534 578.4208@14.293037 14.293037 578.4208 880.716@14.509809 14.509809 880.716 718.5405@14.550828 14.550828 718.5405 777.5319@14.226205 14.226205 777.5319 512.3807@14.660095 14.660095 512.3807 655.5418@14.4195595 14.4195595 655.5418 915.7113@14.606543 14.606543 915.7113 639.566@14.729966 14.729966 639.566 897.6809@14.751234 14.751234 897.6809 409.4645@14.6373205 14.6373205 409.4645 475.4565@14.735586 14.735586 475.4565 408.1784@14.61456 14.61456 408.1784 757.2136@14.6942625 14.6942625 757.2136 763.54@14.673447 14.673447 763.54 472.0963@14.552709 14.552709 472.0963 810.6096@14.467357 14.467357 810.6096 797.5957@14.595162 14.595162 797.5957 855.6336@14.699293 14.699293 855.6336 813.6216@14.781037 14.781037 813.6216 849.6637@14.68349 14.68349 849.6637 793.595@14.687825 14.687825 793.595 759.5762@14.594802 14.594802 759.5762 880.7257@14.450902 14.450902 880.7257 712.5871@14.703318 14.703318 712.5871 702.5597@14.678785 14.678785 702.5597 803.545@14.73134 14.73134 803.545 760.2145@14.241856 14.241856 760.2145 783.5825@14.720599 14.720599 783.5825 961.7292@14.695081 14.695081 961.7292 835.6094@14.338568 14.338568 835.6094 655.55@14.71759 14.71759 655.55 687.5001@14.679092 14.679092 687.5001 819.7167@14.608707 14.608707 819.7167 697.5824@14.468588 14.468588 697.5824 831.6259@14.695086 14.695086 831.6259 418.3087@14.746449 14.746449 418.3087 739.6194@14.71001 14.71001 739.6194 797.6093@14.68662 14.68662 797.6093 725.5789@14.726458 14.726458 725.5789 512.3832@14.617514 14.617514 512.3832 699.231@14.754679 14.754679 699.231 763.5326@14.730483 14.730483 763.5326 809.5961@14.32111 14.32111 809.5961 880.7401@14.664619 14.664619 880.7401 639.5696@14.708079 14.708079 639.5696 732.5382@14.493985 14.493985 732.5382 777.5505@14.576291 14.576291 777.5505 432.3224@14.720419 14.720419 432.3224 446.3424@14.615724 14.615724 446.3424 877.6804@14.538841 14.538841 877.6804 857.6054@14.307506 14.307506 857.6054 755.548@14.748593 14.748593 755.548 663.4495@14.693674 14.693674 663.4495 919.6821@14.755636 14.755636 919.6821 835.6088@14.645134 14.645134 835.6088 787.9266@14.528167 14.528167 787.9266 961.7242@14.710757 14.710757 961.7242 789.0079@14.755101 14.755101 789.0079 872.6892@14.788572 14.788572 872.6892 697.5824@14.765698 14.765698 697.5824 533.401@14.733192 14.733192 533.401 721.5094@14.249379 14.249379 721.5094 788.161@14.532076 14.532076 788.161 763.5325@14.80632 14.80632 763.5325 735.5368@14.686972 14.686972 735.5368 787.6024@14.764756 14.764756 787.6024 603.487@14.767665 14.767665 603.487 639.5595@14.670558 14.670558 639.5595 554.3855@14.602295 14.602295 554.3855 458.3794@14.31869 14.31869 458.3794 556.4088@14.725407 14.725407 556.4088 480.3646@14.382275 14.382275 480.3646 920.6984@14.5549345 14.5549345 920.6984 786.1782@14.447619 14.447619 786.1782 628.2278@14.80032 14.80032 628.2278 810.5986@14.736972 14.736972 810.5986 701.2268@14.820587 14.820587 701.2268 650.2074@14.754926 14.754926 650.2074 553.3863@14.667487 14.667487 553.3863 875.6543@14.56437 14.56437 875.6543 835.6044@14.549419 14.549419 835.6044 764.5327@14.778495 14.778495 764.5327 530.402@14.662645 14.662645 530.402 872.7023@14.807958 14.807958 872.7023 828.5631@14.807958 14.807958 828.5631 831.6093@14.69669 14.69669 831.6093 565.5582@14.65595 14.65595 565.5582 616.4724@14.664472 14.664472 616.4724 792.6015@14.87368 14.87368 792.6015 743.5761@14.690029 14.690029 743.5761 512.8827@14.821037 14.821037 512.8827 568.3571@14.775983 14.775983 568.3571 600.4335@14.830094 14.830094 600.4335 588.4539@14.819022 14.819022 588.4539 533.4026@14.830094 14.830094 533.4026 458.3799@14.780088 14.780088 458.3799 812.6151@14.690919 14.690919 812.6151 683.1938@14.8310585 14.8310585 683.1938 725.4659@14.829319 14.829319 725.4659 809.932@14.501834 14.501834 809.932 554.3845@14.840156 14.840156 554.3845 602.2123@14.72954 14.72954 602.2123 748.5348@14.772743 14.772743 748.5348 807.5741@14.856256 14.856256 807.5741 920.6879@14.856256 14.856256 920.6879 C34 H65 N15 O 736.5384@14.760073 14.760073 736.5384 721.5026@14.650097 14.650097 721.5026 683.1961@14.823201 14.823201 683.1961 664.4583@14.768586 14.768586 664.4583 835.608@14.872355 14.872355 835.608 741.5777@14.334239 14.334239 741.5777 737.5526@14.7716055 14.7716055 737.5526 628.2206@14.808845 14.808845 628.2206 829.5611@14.737976 14.737976 829.5611 931.2144@14.858045 14.858045 931.2144 569.0602@14.860901 14.860901 569.0602 472.0986@14.840869 14.840869 472.0986 809.5922@14.62407 14.62407 809.5922 595.2636@14.860529 14.860529 595.2636 568.3581@14.801729 14.801729 568.3581 580.234@14.757576 14.757576 580.234 524.1645@14.860787 14.860787 524.1645 C18 H31 Cl N4 S4 684.2008@14.8101 14.8101 684.2008 684.427@14.822724 14.822724 684.427 565.5571@14.891474 14.891474 565.5571 831.5933@14.806232 14.806232 831.5933 994.1458@14.860449 14.860449 994.1458 727.1244@14.858012 14.858012 727.1244 504.0666@14.860536 14.860536 504.0666 539.2009@14.812219 14.812219 539.2009 731.1188@14.865752 14.865752 731.1188 555.1938@14.864471 14.864471 555.1938 701.5502@14.894493 14.894493 701.5502 586.1543@14.859637 14.859637 586.1543 792.8252@14.898518 14.898518 792.8252 725.4602@14.857509 14.857509 725.4602 757.2137@14.90053 14.90053 757.2137 791.5925@14.848039 14.848039 791.5925 700.4024@14.837708 14.837708 700.4024 749.5249@14.851016 14.851016 749.5249 606.3863@14.872426 14.872426 606.3863 685.1942@14.893553 14.893553 685.1942 731.5457@14.921662 14.921662 731.5457 700.5521@14.668274 14.668274 700.5521 610.1789@14.925687 14.925687 610.1789 735.5355@14.589532 14.589532 735.5355 428.3644@14.698263 14.698263 428.3644 743.575@14.734046 14.734046 743.575 660.4811@14.929712 14.929712 660.4811 871.6854@14.802736 14.802736 871.6854 923.7138@14.929712 14.929712 923.7138 700.4017@14.885052 14.885052 700.4017 737.5466@14.597757 14.597757 737.5466 606.2463@14.710148 14.710148 606.2463 538.3903@14.944806 14.944806 538.3903 698.252@14.610585 14.610585 698.252 685.1903@14.9488325 14.9488325 685.1903 827.5443@14.723707 14.723707 827.5443 580.231@14.681328 14.681328 580.231 713.574@14.816048 14.816048 713.574 725.4596@14.878048 14.878048 725.4596 805.5631@14.953863 14.953863 805.5631 584.2635@14.878575 14.878575 584.2635 135.0539@0.7416797 0.7416797 135.0539 440.289@0.74622256 0.74622256 440.289 579.8957@0.8056565 0.8056565 579.8957 367.8873@0.8082544 0.8082544 367.8873 569.8673@0.80882776 0.80882776 569.8673 683.7842@0.81399286 0.81399286 683.7842 160.1207@0.8199928 0.8199928 160.1207 611.7512@0.8307693 0.8307693 611.7512 479.8338@0.82401913 0.82401913 479.8338 427.8422@0.82121956 0.82121956 427.8422 456.0273@0.82272935 0.82272935 456.0273 342.0159@0.8242575 0.8242575 342.0159 444.0734@0.82466996 0.82466996 444.0734 607.7696@0.8224076 0.8224076 607.7696 376.0843@0.82534933 0.82534933 376.0843 527.7626@0.82656735 0.82656735 527.7626 663.7319@0.8246053 0.8246053 663.7319 431.8109@0.82426625 0.82426625 431.8109 C4 H2 Cl2 N2 O3 S3 965.5248@0.8290016 0.8290016 965.5248 305.9719@0.8191497 0.8191497 305.9719 653.705@0.8280814 0.8280814 653.705 517.7341@0.82983243 0.82983243 517.7341 589.7091@0.8306907 0.8306907 589.7091 643.6812@0.8316382 0.8316382 643.6812 569.7682@0.8269969 0.8269969 569.7682 833.5696@0.833069 0.833069 833.5696 465.7448@0.83274513 0.83274513 465.7448 789.6194@0.8376777 0.8376777 789.6194 747.644@0.8346947 0.8346947 747.644 573.6832@0.83099264 0.83099264 573.6832 557.7485@0.83260757 0.83260757 557.7485 633.6593@0.8348648 0.8348648 633.6593 701.6352@0.8318522 0.8318522 701.6352 395.1253@0.8400449 0.8400449 395.1253 386.1525@0.8323391 0.8323391 386.1525 705.637@0.83360934 0.83360934 705.637 349.8185@0.8330653 0.8330653 349.8185 839.5898@0.83372504 0.83372504 839.5898 659.6904@0.8320526 0.8320526 659.6904 829.5732@0.83308506 0.83308506 829.5732 825.5522@0.83385587 0.83385587 825.5522 777.6079@0.83446336 0.83446336 777.6079 739.642@0.83701193 0.83701193 739.642 879.5351@0.837702 0.837702 879.5351 687.6661@0.8366109 0.8366109 687.6661 759.6172@0.8349926 0.8349926 759.6172 693.6164@0.8346012 0.8346012 693.6164 744.6558@0.83599263 0.83599263 744.6558 947.5099@0.8361108 0.8361108 947.5099 959.3067@0.8440747 0.8440747 959.3067 959.491@0.8357706 0.8357706 959.491 673.6927@0.83940065 0.83940065 673.6927 859.5514@0.8429925 0.8429925 859.5514 769.5557@0.8495673 0.8495673 769.5557 168.9789@0.8514993 0.8514993 168.9789 669.7056@0.8302634 0.8302634 669.7056 327.9907@0.8696315 0.8696315 327.9907 377.9174@0.8746786 0.8746786 377.9174 C7 H10 N2 O2 S2 270.0331@0.8800865 0.8800865 270.0331 370.0971@0.8753378 0.8753378 370.0971 383.772@0.8709922 0.8709922 383.772 384.3397@0.8759921 0.8759921 384.3397 384.8976@0.88199204 0.88199204 384.8976 321.9893@0.8914933 0.8914933 321.9893 204.0573@0.8935342 0.8935342 204.0573 108.0212@0.8912611 0.8912611 108.0212 68.0268@0.88951075 0.88951075 68.0268 155.0614@0.88999194 0.88999194 155.0614 262.081@0.8909919 0.8909919 262.081 175.1008@0.88430554 0.88430554 175.1008 2-Hydroxyadipic acid 240.1099@0.8949919 0.8949919 240.1099 291.1875@0.89463717 0.89463717 291.1875 321.1364@0.89699185 0.89699185 321.1364 222.0847@0.9020131 0.9020131 222.0847 289.071@0.88866943 0.88866943 289.071 288.1403@0.9060159 0.9060159 288.1403 366.1252@0.9059918 0.9059918 366.1252 364.0975@0.90726393 0.90726393 364.0975 359.1422@0.9266111 0.9266111 359.1422 331.0992@0.92699146 0.92699146 331.0992 426.0886@0.93423396 0.93423396 426.0886 495.1685@0.9379914 0.9379914 495.1685 164.0864@0.9429913 0.9429913 164.0864 300.1651@0.92983127 0.92983127 300.1651 415.1882@0.9449913 0.9449913 415.1882 284.1204@0.948009 0.948009 284.1204 132.1678@0.9459913 0.9459913 132.1678 244.1302@0.95458597 0.95458597 244.1302 270.1291@0.948587 0.948587 270.1291 137.0451@0.96308786 0.96308786 137.0451 296.1441@0.96439046 0.96439046 296.1441 398.1371@0.977338 0.977338 398.1371 465.157@0.9769909 0.9769909 465.157 356.13@0.9769337 0.9769337 356.13 211.0956@1.073504 1.073504 211.0956 243.0714@0.98351127 0.98351127 243.0714 525.2003@0.9899908 0.9899908 525.2003 334.0878@0.986407 0.986407 334.0878 495.1669@0.9959907 0.9959907 495.1669 477.1569@0.99799067 0.99799067 477.1569 359.1419@0.97738075 0.97738075 359.1419 593.1836@0.99999064 0.99999064 593.1836 507.1917@1.0029906 1.0029906 507.1917 204.0596@1.0029906 1.0029906 204.0596 364.0984@1.0050416 1.0050416 364.0984 408.1036@1.0073382 1.0073382 408.1036 380.0713@1.0049906 1.0049906 380.0713 282.1568@1.002571 1.002571 282.1568 191.0248@1.0120306 1.0120306 191.0248 345.238@1.0238731 1.0238731 345.238 224.1233@1.0323445 1.0323445 224.1233 174.1045@1.0391084 1.0391084 174.1045 209.0539@1.0380013 1.0380013 209.0539 228.1108@1.0789897 1.0789897 228.1108 175.096@1.0905913 1.0905913 175.096 271.1648@1.1209893 1.1209893 271.1648 258.0845@1.1230123 1.1230123 258.0845 131.0697@1.0655172 1.0655172 131.0697 140.0101@1.1251355 1.1251355 140.0101 198.0133@1.1248032 1.1248032 198.0133 286.2345@1.1259892 1.1259892 286.2345 188.0656@1.0614083 1.0614083 188.0656 348.1018@1.1449889 1.1449889 348.1018 958.9559@1.1856952 1.1856952 958.9559 187.1203@1.1915003 1.1915003 187.1203 418.307@1.2195235 1.2195235 418.307 408.1039@1.1829885 1.1829885 408.1039 860.2793@1.1911104 1.1911104 860.2793 228.042@1.1839886 1.1839886 228.042 582.158@1.1881053 1.1881053 582.158 341.1052@1.1859884 1.1859884 341.1052 491.1011@1.1846877 1.1846877 491.1011 588.1786@1.1877776 1.1877776 588.1786 405.1586@1.1861556 1.1861556 405.1586 721.2137@1.1879485 1.1879485 721.2137 630.1659@1.1863365 1.1863365 630.1659 199.0626@1.2059883 1.2059883 199.0626 188.0657@1.2136737 1.2136737 188.0657 942.9808@1.2055 1.2055 942.9808 214.0087@1.2125297 1.2125297 214.0087 155.0693@1.2480986 1.2480986 155.0693 122.0686@1.2822996 1.2822996 122.0686 383.109@1.2959872 1.2959872 383.109 103.0502@1.3831449 1.3831449 103.0502 132.0249@1.45806 1.45806 132.0249 203.0541@1.6303545 1.6303545 203.0541 512.018@1.7354612 1.7354612 512.018 473.0632@1.7764175 1.7764175 473.0632 491.1633@2.0469837 2.0469837 491.1633 175.0577@2.046471 2.046471 175.0577 333.1387@2.0529838 2.0529838 333.1387 431.2294@2.0712476 2.0712476 431.2294 284.17@2.0629187 2.0629187 284.17 791.2885@2.0809839 2.0809839 791.2885 491.1636@2.110984 2.110984 491.1636 175.0583@2.1365848 2.1365848 175.0583 943.2417@2.2064755 2.2064755 943.2417 202.0441@2.144536 2.144536 202.0441 781.3359@2.2735462 2.2735462 781.3359 654.2127@2.265985 2.265985 654.2127 791.2917@2.265985 2.265985 791.2917 454.186@2.2740133 2.2740133 454.186 238.0622@2.273013 2.273013 238.0622 595.2008@2.2810447 2.2810447 595.2008 713.2492@2.2773864 2.2773864 713.2492 925.2818@2.277985 2.277985 925.2818 622.2476@2.2869751 2.2869751 622.2476 644.2407@2.2651105 2.2651105 644.2407 944.3596@2.2755527 2.2755527 944.3596 881.2723@2.2829852 2.2829852 881.2723 875.2577@2.2064846 2.2064846 875.2577 764.245@2.2845461 2.2845461 764.245 970.9975@2.2942197 2.2942197 970.9975 921.3771@2.349778 2.349778 921.3771 205.1053@2.6389906 2.6389906 205.1053 558.1424@2.7843072 2.7843072 558.1424 136.0392@2.7870274 2.7870274 136.0392 306.0363@2.7857358 2.7857358 306.0363 228.1463@2.848977 2.848977 228.1463 190.0212@2.911377 2.911377 190.0212 285.1187@2.9300103 2.9300103 285.1187 319.0899@3.0052705 3.0052705 319.0899 253.1529@3.0412989 3.0412989 253.1529 113.0585@3.0470035 3.0470035 113.0585 98.0374@3.05515 3.05515 98.0374 320.0516@3.064062 3.064062 320.0516 220.0844@3.147581 3.147581 220.0844 992.2339@3.1584313 3.1584313 992.2339 915.2104@3.1585915 3.1585915 915.2104 924.1956@3.1606848 3.1606848 924.1956 90.0459@3.16455 3.16455 90.0459 693.7058@3.1603844 3.1603844 693.7058 336.1759@3.1616483 3.1616483 336.1759 805.228@3.1580083 3.1580083 805.228 605.1542@3.1597161 3.1597161 605.1542 967.2442@3.1602616 3.1602616 967.2442 979.2761@3.161635 3.161635 979.2761 971.7906@3.15905 3.15905 971.7906 951.243@3.1607773 3.1607773 951.243 983.2612@3.1603415 3.1603415 983.2612 784.2249@3.160548 3.160548 784.2249 884.2242@3.1605916 3.1605916 884.2242 834.198@3.163023 3.163023 834.198 988.2491@3.1604936 3.1604936 988.2491 884.7456@3.1600087 3.1600087 884.7456 580.1596@3.1618638 3.1618638 580.1596 985.2882@3.1612933 3.1612933 985.2882 364.1779@3.161005 3.161005 364.1779 935.2188@3.1625168 3.1625168 935.2188 864.2289@3.1620085 3.1620085 864.2289 906.2073@3.163357 3.163357 906.2073 244.0883@3.2104142 3.2104142 244.0883 220.0862@3.274014 3.274014 220.0862 202.046@3.3441896 3.3441896 202.046 301.1514@3.4379582 3.4379582 301.1514 151.0629@3.5434759 3.5434759 151.0629 173.0448@3.5423403 3.5423403 173.0448 181.0747@3.5620317 3.5620317 181.0747 173.1375@3.5866904 3.5866904 173.1375 484.3501@3.5888965 3.5888965 484.3501 266.1008@3.608035 3.608035 266.1008 929.2401@3.6317809 3.6317809 929.2401 936.2216@3.6411467 3.6411467 936.2216 923.2451@3.626012 3.626012 923.2451 187.1779@3.6315854 3.6315854 187.1779 810.2234@3.6290364 3.6290364 810.2234 776.1865@3.6765733 3.6765733 776.1865 640.1165@3.6780403 3.6780403 640.1165 624.1427@3.6780403 3.6780403 624.1427 630.1562@3.8137305 3.8137305 630.1562 938.1884@3.6780403 3.6780403 938.1884 928.2219@3.6867871 3.6867871 928.2219 326.0718@3.8301933 3.8301933 326.0718 478.1154@3.6819515 3.6819515 478.1154 176.1047@3.6732666 3.6732666 176.1047 303.1666@3.731557 3.731557 303.1666 316.0941@3.8051305 3.8051305 316.0941 321.0481@3.8056307 3.8056307 321.0481 337.0218@3.7820487 3.7820487 337.0218 533.2317@3.8600552 3.8600552 533.2317 640.115@3.8770568 3.8770568 640.115 923.2141@3.848236 3.848236 923.2141 782.1971@3.8805652 3.8805652 782.1971 488.074@3.879057 3.879057 488.074 792.1563@3.8790805 3.8790805 792.1563 938.1887@3.88411 3.88411 938.1887 934.2387@3.880057 3.880057 934.2387 418.3059@3.8421056 3.8421056 418.3059 482.1341@3.9030592 3.9030592 482.1341 226.1201@3.9572446 3.9572446 226.1201 325.1886@3.985571 3.985571 325.1886 299.3367@3.9822524 3.9822524 299.3367 140.0832@4.0186167 4.0186167 140.0832 213.0818@4.0421805 4.0421805 213.0818 150.0909@4.045179 4.045179 150.0909 454.1668@4.0410724 4.0410724 454.1668 582.2122@4.0480733 4.0480733 582.2122 505.1458@4.106035 4.106035 505.1458 420.0972@4.150084 4.150084 420.0972 398.1159@4.154084 4.154084 398.1159 234.1101@4.1630855 4.1630855 234.1101 491.1342@4.185178 4.185178 491.1342 176.1047@3.9898698 3.9898698 176.1047 343.9439@4.1950893 4.1950893 343.9439 369.2172@4.1960893 4.1960893 369.2172 626.2367@4.221092 4.221092 626.2367 670.2021@4.221092 4.221092 670.2021 324.1143@4.229093 4.229093 324.1143 427.2397@4.3203335 4.3203335 427.2397 550.2025@4.3105955 4.3105955 550.2025 521.1458@4.3456945 4.3456945 521.1458 464.1235@4.364109 4.364109 464.1235 398.1771@4.3659716 4.3659716 398.1771 152.1286@4.409204 4.409204 152.1286 665.3093@4.3784714 4.3784714 665.3093 402.3974@4.3821115 4.3821115 402.3974 651.3304@4.3849716 4.3849716 651.3304 176.1058@4.401114 4.401114 176.1058 413.2429@4.4041142 4.4041142 413.2429 326.1732@4.4041142 4.4041142 326.1732 220.128@4.4051147 4.4051147 220.128 343.1316@4.476124 4.476124 343.1316 448.1235@4.4966125 4.4966125 448.1235 485.244@4.482125 4.482125 485.244 471.2668@4.515888 4.515888 471.2668 308.1232@4.515391 4.515391 308.1232 709.3386@4.52213 4.52213 709.3386 C28 H46 N12 O3 464.1856@4.559966 4.559966 464.1856 442.2043@4.5591354 4.5591354 442.2043 446.5049@4.5711374 4.5711374 446.5049 428.2243@4.5876784 4.5876784 428.2243 445.9454@4.5711374 4.5711374 445.9454 450.2074@4.5721374 4.5721374 450.2074 457.2689@4.5871396 4.5871396 457.2689 513.1636@4.6233397 4.6233397 513.1636 308.1235@4.629146 4.629146 308.1235 515.2931@4.679229 4.679229 515.2931 598.3846@4.730748 4.730748 598.3846 182.0942@4.7259774 4.7259774 182.0942 508.2122@4.730161 4.730161 508.2122 516.2195@4.740163 4.740163 516.2195 494.2326@4.7532864 4.7532864 494.2326 472.2504@4.7527866 4.7527866 472.2504 301.1162@4.748619 4.748619 301.1162 490.4685@4.748164 4.748164 490.4685 519.3061@4.764781 4.764781 519.3061 458.2725@4.7666783 4.7666783 458.2725 268.1262@4.9723077 4.9723077 268.1262 232.1568@4.7817655 4.7817655 232.1568 261.153@4.7641196 4.7641196 261.153 209.1026@4.7852454 4.7852454 209.1026 540.0333@4.78517 4.78517 540.0333 C10 H4 N2 O S2 328.1488@4.779179 4.779179 328.1488 188.1006@4.8161354 4.8161354 188.1006 372.1917@4.8501806 4.8501806 372.1917 304.2138@4.8782196 4.8782196 304.2138 428.1588@4.8727264 4.8727264 428.1588 390.2052@4.8722277 4.8722277 390.2052 453.1893@4.8797274 4.8797274 453.1893 425.0717@4.8901906 4.8901906 425.0717 357.108@4.8761854 4.8761854 357.108 552.2381@4.885187 4.885187 552.2381 530.2578@4.886187 4.886187 530.2578 516.2771@4.903716 4.903716 516.2771 538.2586@4.9077134 4.9077134 538.2586 502.2974@4.916048 4.916048 502.2974 524.2804@4.91521 4.91521 524.2804 563.3313@4.9157095 4.9157095 563.3313 343.1295@4.923702 4.923702 343.1295 521.0094@4.9051905 4.9051905 521.0094 308.1024@4.9081907 4.9081907 308.1024 433.1841@4.92471 4.92471 433.1841 411.2015@4.928813 4.928813 411.2015 328.1487@4.9381914 4.9381914 328.1487 166.1447@4.9474936 4.9474936 166.1447 212.1048@4.960234 4.960234 212.1048 359.0939@5.0347795 5.0347795 359.0939 591.309@5.0312834 5.0312834 591.309 608.3422@5.030213 5.030213 608.3422 280.1513@5.043147 5.043147 280.1513 582.2846@5.0456448 5.0456448 582.2846 568.3056@5.0501437 5.0501437 568.3056 546.3252@5.0541415 5.0541415 546.3252 318.1943@5.0662193 5.0662193 318.1943 142.0946@5.1350946 5.1350946 142.0946 229.0769@5.1598587 5.1598587 229.0769 635.3347@5.1558623 5.1558623 635.3347 142.095@5.338069 5.338069 142.095 590.3508@5.1776133 5.1776133 590.3508 651.3827@5.1682396 5.1682396 651.3827 604.3324@5.1692395 5.1692395 604.3324 304.2138@5.1970577 5.1970577 304.2138 306.964@5.201246 5.201246 306.964 440.2862@5.201246 5.201246 440.2862 307.3163@5.203246 5.203246 307.3163 690.1069@5.203246 5.203246 690.1069 668.1268@5.203246 5.203246 668.1268 402.1927@5.203246 5.203246 402.1927 634.1897@5.222046 5.222046 634.1897 237.0714@5.221547 5.221547 237.0714 328.0864@5.222047 5.222047 328.0864 670.1232@5.2042465 5.2042465 670.1232 306.1055@5.222047 5.222047 306.1055 388.1186@5.2235456 5.2235456 388.1186 219.0608@5.2230463 5.2230463 219.0608 666.1244@5.222048 5.222048 666.1244 674.1293@5.225044 5.225044 674.1293 448.1272@5.222048 5.222048 448.1272 554.231@5.2132483 5.2132483 554.231 168.0784@5.231481 5.231481 168.0784 140.082@5.431028 5.431028 140.082 Trp Phe 284.1228@5.369587 5.369587 284.1228 532.155@5.3699684 5.3699684 532.155 110.0756@5.34814 5.34814 110.0756 345.2101@5.387953 5.387953 345.2101 315.1035@5.469825 5.469825 315.1035 297.1476@5.4975505 5.4975505 297.1476 753.4367@5.4852657 5.4852657 753.4367 345.1152@5.5090256 5.5090256 345.1152 246.1389@5.561348 5.561348 246.1389 268.1259@5.7204165 5.7204165 268.1259 276.122@5.597722 5.597722 276.122 211.1531@5.6061134 5.6061134 211.1531 548.1502@5.6353083 5.6353083 548.1502 320.1283@5.6593795 5.6593795 320.1283 437.2173@5.760769 5.760769 437.2173 180.1595@5.782589 5.782589 180.1595 389.1301@5.8287377 5.8287377 389.1301 345.1185@6.000441 6.000441 345.1185 399.0867@6.049455 6.049455 399.0867 188.0844@6.056458 6.056458 188.0844 457.2042@6.081465 6.081465 457.2042 340.1665@6.1054726 6.1054726 340.1665 318.1926@6.1199646 6.1199646 318.1926 324.1557@6.4594536 6.4594536 324.1557 352.2094@6.1634903 6.1634903 352.2094 178.1019@6.1870546 6.1870546 178.1019 417.2172@6.218338 6.218338 417.2172 399.0865@6.2257814 6.2257814 399.0865 377.104@6.2250314 6.2250314 377.104 451.231@6.2895303 6.2895303 451.231 160.0882@6.2961507 6.2961507 160.0882 851.5042@6.3215404 6.3215404 851.5042 288.2199@6.3572664 6.3572664 288.2199 210.0894@6.3499813 6.3499813 210.0894 463.1843@6.3574615 6.3574615 463.1843 413.2911@6.3932943 6.3932943 413.2911 294.1439@6.3687735 6.3687735 294.1439 388.1931@6.3995667 6.3995667 388.1931 327.1346@6.4846764 6.4846764 327.1346 382.1906@6.504355 6.504355 382.1906 374.2075@6.522609 6.522609 374.2075 415.3435@6.5352497 6.5352497 415.3435 387.213@6.5516195 6.5516195 387.213 322.1445@6.563624 6.563624 322.1445 329.1192@6.5986123 6.5986123 329.1192 376.224@6.623554 6.623554 376.224 440.2698@6.6156425 6.6156425 440.2698 156.1613@6.6345096 6.6345096 156.1613 336.2194@6.650012 6.650012 336.2194 374.2083@6.6386514 6.6386514 374.2083 545.2478@6.661746 6.661746 545.2478 322.1455@6.6838603 6.6838603 322.1455 454.2198@6.714481 6.714481 454.2198 498.1902@6.7166805 6.7166805 498.1902 476.2076@6.729454 6.729454 476.2076 471.248@6.7184825 6.7184825 471.248 779.3871@6.7236834 6.7236834 779.3871 339.3163@6.726684 6.726684 339.3163 281.0566@6.7419386 6.7419386 281.0566 321.0878@6.7419386 6.7419386 321.0878 263.046@6.7419386 6.7419386 263.046 339.099@6.74144 6.74144 339.099 356.1273@6.7419386 6.7419386 356.1273 223.0146@6.7419386 6.7419386 223.0146 700.1797@6.7424383 6.7424383 700.1797 361.0816@6.7424383 6.7424383 361.0816 397.1518@6.7286854 6.7286854 397.1518 459.142@6.742937 6.742937 459.142 377.0556@6.7424383 6.7424383 377.0556 744.1414@6.7419395 6.7419395 744.1414 399.1317@6.740942 6.740942 399.1317 184.0738@6.7424383 6.7424383 184.0738 370.144@6.7286854 6.7286854 370.144 357.3586@6.7306857 6.7306857 357.3586 758.1361@6.7306857 6.7306857 758.1361 383.0625@6.745434 6.745434 383.0625 229.1649@6.739241 6.739241 229.1649 377.2137@6.7376885 6.7376885 377.2137 836.1474@6.738689 6.738689 836.1474 474.1795@6.752694 6.752694 474.1795 469.2349@6.763933 6.763933 469.2349 452.205@6.7629356 6.7629356 452.205 331.1752@6.800238 6.800238 331.1752 182.1224@6.7924423 6.7924423 182.1224 469.234@6.8383646 6.8383646 469.234 375.0875@6.8377275 6.8377275 375.0875 479.3045@6.8787436 6.8787436 479.3045 390.2026@6.980008 6.980008 390.2026 467.217@6.9107566 6.9107566 467.217 477.2895@6.951108 6.951108 477.2895 383.2861@7.008319 7.008319 383.2861 744.1993@7.0382543 7.0382543 744.1993 399.065@7.0403614 7.0403614 399.065 361.1091@7.0376925 7.0376925 361.1091 383.0911@7.037195 7.037195 383.0911 689.4186@7.058814 7.058814 689.4186 380.2156@7.080889 7.080889 380.2156 733.4398@7.11119 7.11119 733.4398 339.1649@7.135042 7.135042 339.1649 332.0903@7.142528 7.142528 332.0903 372.1945@7.118845 7.118845 372.1945 310.1239@7.119845 7.119845 310.1239 327.1347@7.140037 7.140037 327.1347 354.0722@7.1218457 7.1218457 354.0722 376.0535@7.123847 7.123847 376.0535 546.295@7.137853 7.137853 546.295 413.2911@7.420848 7.420848 413.2911 431.3015@7.4708676 7.4708676 431.3015 516.2349@7.223961 7.223961 516.2349 412.165@7.224963 7.224963 412.165 770.3994@7.224464 7.224464 770.3994 413.3203@7.22655 7.22655 413.3203 768.382@7.2168884 7.2168884 768.382 456.2258@7.2269607 7.2269607 456.2258 396.1891@7.2249656 7.2249656 396.1891 374.2089@7.2254643 7.2254643 374.2089 437.2174@7.2249656 7.2249656 437.2174 372.1942@7.2279577 7.2279577 372.1942 435.2083@7.217889 7.217889 435.2083 356.1955@7.092782 7.092782 356.1955 681.3691@7.2969246 7.2969246 681.3691 208.1416@7.3986254 7.3986254 208.1416 261.151@7.383273 7.383273 261.151 265.1645@7.3689585 7.3689585 265.1645 272.2134@7.3667154 7.3667154 272.2134 465.2208@7.3648705 7.3648705 465.2208 275.1671@7.4890165 7.4890165 275.1671 253.1637@7.5091515 7.5091515 253.1637 294.1864@7.5675416 7.5675416 294.1864 335.208@7.6372886 7.6372886 335.208 240.1049@7.7181334 7.7181334 240.1049 335.2071@7.8584123 7.8584123 335.2071 441.2052@7.9402547 7.9402547 441.2052 337.2571@7.94674 7.94674 337.2571 910.9436@8.071329 8.071329 910.9436 879.2035@8.085338 8.085338 879.2035 938.6016@8.086339 8.086339 938.6016 782.7557@8.116356 8.116356 782.7557 937.4425@8.185398 8.185398 937.4425 476.3573@8.2472105 8.2472105 476.3573 285.2397@8.254644 8.254644 285.2397 265.147@8.198128 8.198128 265.147 267.1784@8.28501 8.28501 267.1784 383.266@8.266338 8.266338 383.266 351.2506@8.275175 8.275175 351.2506 968.9632@8.28646 8.28646 968.9632 883.1387@8.309215 8.309215 883.1387 804.321@8.294465 8.294465 804.321 883.1611@8.333488 8.333488 883.1611 881.3307@8.338875 8.338875 881.3307 873.4208@8.38252 8.38252 873.4208 858.9657@8.391526 8.391526 858.9657 213.0824@8.466223 8.466223 213.0824 986.2542@8.396681 8.396681 986.2542 973.2371@8.4915905 8.4915905 973.2371 960.7482@8.494593 8.494593 960.7482 833.5838@8.495594 8.495594 833.5838 409.3187@8.515113 8.515113 409.3187 455.2524@8.517608 8.517608 455.2524 827.3551@8.530617 8.530617 827.3551 271.1919@8.52631 8.52631 271.1919 863.6788@8.665642 8.665642 863.6788 866.3947@8.539622 8.539622 866.3947 968.9116@8.828596 8.828596 968.9116 886.5785@8.545627 8.545627 886.5785 946.2524@8.548629 8.548629 946.2524 786.8321@8.825351 8.825351 786.8321 905.2856@8.56564 8.56564 905.2856 642.2493@8.587122 8.587122 642.2493 952.9039@8.603665 8.603665 952.9039 978.9848@8.6116705 8.6116705 978.9848 918.3127@8.618675 8.618675 918.3127 827.1813@8.619677 8.619677 827.1813 C28 H43 N S 902.1877@8.659704 8.659704 902.1877 784.2861@8.665708 8.665708 784.2861 874.3078@8.699732 8.699732 874.3078 903.4386@8.715742 8.715742 903.4386 789.9681@8.7347555 8.7347555 789.9681 852.0659@8.746764 8.746764 852.0659 863.6904@8.967893 8.967893 863.6904 928.9685@8.763777 8.763777 928.9685 870.2002@8.823818 8.823818 870.2002 461.2535@8.828833 8.828833 461.2535 797.7809@8.832826 8.832826 797.7809 918.8345@8.845835 8.845835 918.8345 956.4386@8.846836 8.846836 956.4386 824.0103@8.85184 8.85184 824.0103 977.7081@8.87986 8.87986 977.7081 276.1883@8.722398 8.722398 276.1883 796.8215@8.889867 8.889867 796.8215 338.2064@8.902979 8.902979 338.2064 910.4174@8.90788 8.90788 910.4174 954.7342@8.910883 8.910883 954.7342 876.6578@8.9148855 8.9148855 876.6578 902.8088@8.92394 8.92394 902.8088 790.009@8.971222 8.971222 790.009 866.292@9.013835 9.013835 866.292 816.9037@8.990218 8.990218 816.9037 341.2556@8.935693 8.935693 341.2556 952.2168@8.954915 8.954915 952.2168 816.7887@8.955916 8.955916 816.7887 780.3915@8.81813 8.81813 780.3915 904.0519@8.976704 8.976704 904.0519 615.3973@8.972864 8.972864 615.3973 798.6408@8.991942 8.991942 798.6408 238.1304@8.9971 8.9971 238.1304 632.3264@8.998732 8.998732 632.3264 789.9811@8.892803 8.892803 789.9811 794.0849@9.081051 9.081051 794.0849 785.1311@9.030972 9.030972 785.1311 802.528@8.749058 8.749058 802.528 793.9848@9.037977 9.037977 793.9848 931.5475@9.058993 9.058993 931.5475 882.9298@9.074004 9.074004 882.9298 363.2378@8.89884 8.89884 363.2378 561.3397@9.039672 9.039672 561.3397 865.955@9.004391 9.004391 865.955 287.1523@9.170457 9.170457 287.1523 832.8944@9.133049 9.133049 832.8944 827.5963@8.9663515 8.9663515 827.5963 784.3047@9.157068 9.157068 784.3047 870.4466@9.169078 9.169078 870.4466 409.3164@9.113371 9.113371 409.3164 971.8038@9.23513 9.23513 971.8038 870.1269@9.055356 9.055356 870.1269 959.9552@8.967685 8.967685 959.9552 967.8628@9.109102 9.109102 967.8628 959.9322@9.292092 9.292092 959.9322 338.2434@9.349222 9.349222 338.2434 958.7062@9.338057 9.338057 958.7062 437.2452@9.434976 9.434976 437.2452 533.3097@9.185283 9.185283 533.3097 408.2439@9.624867 9.624867 408.2439 791.1479@9.485153 9.485153 791.1479 959.9582@9.6083765 9.6083765 959.9582 352.2203@9.503573 9.503573 352.2203 615.4528@9.522051 9.522051 615.4528 794.3538@9.576014 9.576014 794.3538 255.2103@9.597195 9.597195 255.2103 248.1724@9.651728 9.651728 248.1724 152.1195@9.643311 9.643311 152.1195 208.1825@9.64171 9.64171 208.1825 134.1071@9.639145 9.639145 134.1071 556.345@9.664263 9.664263 556.345 608.3335@9.683506 9.683506 608.3335 152.1183@9.677943 9.677943 152.1183 208.182@9.674343 9.674343 208.182 519.3268@9.65945 9.65945 519.3268 567.3161@9.80292 9.80292 567.3161 214.1563@9.843508 9.843508 214.1563 154.1348@9.840369 9.840369 154.1348 236.1388@9.846891 9.846891 236.1388 365.2505@9.869956 9.869956 365.2505 305.2536@9.868674 9.868674 305.2536 262.2127@9.864918 9.864918 262.2127 413.312@9.895018 9.895018 413.312 578.2885@9.934344 9.934344 578.2885 620.2964@9.953162 9.953162 620.2964 508.3242@9.964894 9.964894 508.3242 567.3183@9.953753 9.953753 567.3183 505.2599@10.026329 10.026329 505.2599 517.3158@10.079024 10.079024 517.3158 519.3245@10.145683 10.145683 519.3245 382.2168@10.257764 10.257764 382.2168 275.1876@10.132584 10.132584 275.1876 385.242@10.136915 10.136915 385.242 311.1531@10.095174 10.095174 311.1531 208.145@10.151698 10.151698 208.145 505.316@10.191813 10.191813 505.316 781.5517@10.253548 10.253548 781.5517 383.3009@10.516892 10.516892 383.3009 516.2997@10.617905 10.617905 516.2997 353.2753@10.525173 10.525173 353.2753 781.5593@10.701608 10.701608 781.5593 580.3004@10.657778 10.657778 580.3004 941.5289@10.651257 10.651257 941.5289 722.5341@10.846751 10.846751 722.5341 779.5429@10.519894 10.519894 779.5429 978.5654@10.680942 10.680942 978.5654 294.2181@10.926768 10.926768 294.2181 677.288@10.718548 10.718548 677.288 996.6135@10.714283 10.714283 996.6135 541.3154@10.747468 10.747468 541.3154 C24 H47 N5 O2 S2 520.132@10.6505165 10.6505165 520.132 458.3461@10.740174 10.740174 458.3461 293.2003@10.866705 10.866705 293.2003 276.1749@10.815394 10.815394 276.1749 366.2388@10.832355 10.832355 366.2388 565.314@10.859974 10.859974 565.314 477.2866@10.8612995 10.8612995 477.2866 429.3175@10.655602 10.655602 429.3175 677.484@10.9146185 10.9146185 677.484 413.2797@10.989845 10.989845 413.2797 629.3282@11.151861 11.151861 629.3282 496.6683@11.023886 11.023886 496.6683 499.317@11.02789 11.02789 499.317 394.2838@11.234135 11.234135 394.2838 371.2682@11.075395 11.075395 371.2682 703.3043@11.1514435 11.1514435 703.3043 296.2017@11.158371 11.158371 296.2017 574.2781@11.159169 11.159169 574.2781 380.2863@11.42341 11.42341 380.2863 394.3071@11.194813 11.194813 394.3071 448.3297@11.204946 11.204946 448.3297 752.568@11.35244 11.35244 752.568 385.3644@11.345245 11.345245 385.3644 396.2844@11.265751 11.265751 396.2844 823.564@11.286774 11.286774 823.564 569.3471@11.443123 11.443123 569.3471 974.6289@11.267179 11.267179 974.6289 499.1711@11.2781925 11.2781925 499.1711 497.0633@11.208815 11.208815 497.0633 359.178@11.328819 11.328819 359.178 849.5756@11.629961 11.629961 849.5756 454.2872@11.381665 11.381665 454.2872 420.3069@11.459266 11.459266 420.3069 339.186@11.355631 11.355631 339.186 418.2005@11.366543 11.366543 418.2005 17alpha-hydroxypregnenolone 342.1472@11.323057 11.323057 342.1472 PGF2alpha isopropyl ester + 11.451276 427.3643@11.946192 11.946192 427.3643 410.2503@11.518607 11.518607 410.2503 3-n-decyl acrylic acid 397.3116@11.110251 11.110251 397.3116 528.4217@11.50439 11.50439 528.4217 454.2918@11.570545 11.570545 454.2918 546.3494@11.377191 11.377191 546.3494 941.5291@11.353075 11.353075 941.5291 524.5514@11.538088 11.538088 524.5514 527.3576@11.527016 11.527016 527.3576 544.756@11.537522 11.537522 544.756 611.3171@11.50717 11.50717 611.3171 532.3139@11.565281 11.565281 532.3139 319.2417@11.626309 11.626309 319.2417 579.4023@11.911899 11.911899 579.4023 222.0887@11.694105 11.694105 222.0887 cis-3-(6-Hydroxy-7-methoxy-5-benzofuranyl)acrylic acid glucuronide 382.4259@11.698704 11.698704 382.4259 372.2887@11.622383 11.622383 372.2887 410.248@11.764323 11.764323 410.248 569.3458@11.800856 11.800856 569.3458 597.3785@11.827334 11.827334 597.3785 402.2084@11.937365 11.937365 402.2084 593.3708@11.907884 11.907884 593.3708 457.3164@11.941233 11.941233 457.3164 522.3467@11.520361 11.520361 522.3467 428.3555@12.043617 12.043617 428.3555 461.3433@12.021486 12.021486 461.3433 289.2271@12.045142 12.045142 289.2271 421.2838@11.9890375 11.9890375 421.2838 365.3047@12.107481 12.107481 365.3047 325.2608@12.239526 12.239526 325.2608 302.2458@12.271507 12.271507 302.2458 411.3792@12.435446 12.435446 411.3792 501.3662@12.293567 12.293567 501.3662 722.5275@12.662547 12.662547 722.5275 868.648@12.6303425 12.6303425 868.648 453.2807@12.368827 12.368827 453.2807 386.3354@12.819512 12.819512 386.3354 967.5477@12.735587 12.735587 967.5477 299.2455@12.392672 12.392672 299.2455 828.0326@12.412123 12.412123 828.0326 460.5289@12.424064 12.424064 460.5289 828.8779@12.426781 12.426781 828.8779 826.7714@12.41613 12.41613 826.7714 424.9331@12.429786 12.429786 424.9331 831.2399@12.429786 12.429786 831.2399 314.2101@12.419337 12.419337 314.2101 491.321@11.9309225 11.9309225 491.321 826.9458@12.430104 12.430104 826.9458 524.8365@12.513512 12.513512 524.8365 525.2184@12.502577 12.502577 525.2184 912.6878@12.501977 12.501977 912.6878 909.6415@12.504902 12.504902 909.6415 939.6319@12.504902 12.504902 939.6319 630.3227@12.49993 12.49993 630.3227 524.1823@12.505903 12.505903 524.1823 545.8483@12.50208 12.50208 545.8483 526.1038@12.510912 12.510912 526.1038 817.2936@12.505168 12.505168 817.2936 359.3366@12.654983 12.654983 359.3366 411.382@12.5448675 12.5448675 411.382 375.3081@12.523681 12.523681 375.3081 469.3422@12.504469 12.504469 469.3422 819.0807@12.60351 12.60351 819.0807 865.6255@12.630382 12.630382 865.6255 367.2539@12.84315 12.84315 367.2539 311.3172@12.623732 12.623732 311.3172 783.1806@12.921658 12.921658 783.1806 367.2509@12.501664 12.501664 367.2509 921.0025@12.659206 12.659206 921.0025 658.49@12.783368 12.783368 658.49 397.3665@12.716746 12.716746 397.3665 680.6746@12.684942 12.684942 680.6746 C18 H35 N7 O 457.3753@12.729978 12.729978 457.3753 805.054@12.851377 12.851377 805.054 225.1726@12.783128 12.783128 225.1726 379.3088@12.790357 12.790357 379.3088 784.201@12.793362 12.793362 784.201 814.0056@13.172142 13.172142 814.0056 357.3337@12.873273 12.873273 357.3337 783.1429@12.914618 12.914618 783.1429 769.8094@12.90755 12.90755 769.8094 833.19@12.921573 12.921573 833.19 540.4118@12.891356 12.891356 540.4118 477.3369@12.974791 12.974791 477.3369 805.0525@13.0084305 13.0084305 805.0525 305.2919@12.967272 12.967272 305.2919 712.5397@13.241663 13.241663 712.5397 526.8976@12.868969 12.868969 526.8976 937.5088@13.091469 13.091469 937.5088 784.06@13.025748 13.025748 784.06 305.2917@13.002591 13.002591 305.2917 338.2471@13.0659685 13.0659685 338.2471 477.3384@13.115714 13.115714 477.3384 785.248@13.359031 13.359031 785.248 789.0244@13.142105 13.142105 789.0244 831.0696@13.188312 13.188312 831.0696 332.2372@13.202377 13.202377 332.2372 441.356@13.207315 13.207315 441.356 305.2916@13.207896 13.207896 305.2916 775.3496@13.23945 13.23945 775.3496 637.5331@13.252139 13.252139 637.5331 742.9022@13.270171 13.270171 742.9022 332.2863@13.236046 13.236046 332.2863 887.52@13.231048 13.231048 887.52 380.274@13.5590515 13.5590515 380.274 913.5335@13.218803 13.218803 913.5335 815.0328@13.435619 13.435619 815.0328 700.305@13.439384 13.439384 700.305 353.3269@12.886839 12.886839 353.3269 380.3058@13.409433 13.409433 380.3058 892.6195@13.592422 13.592422 892.6195 METHOPRENE (S) 699.3036@13.60665 13.60665 699.3036 359.3158@13.462798 13.462798 359.3158 690.5564@13.385622 13.385622 690.5564 434.296@13.427464 13.427464 434.296 601.4938@13.445175 13.445175 601.4938 256.2459@13.448982 13.448982 256.2459 884.5883@13.475475 13.475475 884.5883 892.6426@13.559628 13.559628 892.6426 463.3511@13.472484 13.472484 463.3511 530.3831@13.435986 13.435986 530.3831 662.4594@13.503796 13.503796 662.4594 810.2879@13.709282 13.709282 810.2879 863.6225@13.325741 13.325741 863.6225 881.59@13.685546 13.685546 881.59 894.6517@13.515614 13.515614 894.6517 837.0042@13.517617 13.517617 837.0042 789.5786@13.549209 13.549209 789.5786 825.6197@13.518619 13.518619 825.6197 476.3251@13.519621 13.519621 476.3251 738.555@13.520514 13.520514 738.555 803.9332@13.519621 13.519621 803.9332 900.6633@13.520622 13.520622 900.6633 821.6225@13.554714 13.554714 821.6225 871.5518@13.876953 13.876953 871.5518 873.7656@13.8260765 13.8260765 873.7656 649.4827@13.538484 13.538484 649.4827 923.562@13.679456 13.679456 923.562 536.3874@13.330466 13.330466 536.3874 411.38@13.546427 13.546427 411.38 335.3149@13.52902 13.52902 335.3149 315.2508@13.537574 13.537574 315.2508 759.0108@13.192906 13.192906 759.0108 372.2952@13.554691 13.554691 372.2952 605.4477@13.550352 13.550352 605.4477 150.0895@13.712239 13.712239 150.0895 416.3335@13.676389 13.676389 416.3335 561.4221@13.596504 13.596504 561.4221 658.2802@13.583577 13.583577 658.2802 853.6927@13.725903 13.725903 853.6927 336.2375@13.617803 13.617803 336.2375 772.9096@13.624816 13.624816 772.9096 654.4796@13.586601 13.586601 654.4796 307.2862@13.625389 13.625389 307.2862 646.5474@13.644242 13.644242 646.5474 535.4023@13.587488 13.587488 535.4023 782.8995@13.934221 13.934221 782.8995 650.5246@13.701678 13.701678 650.5246 546.3931@13.660088 13.660088 546.3931 373.2999@13.661886 13.661886 373.2999 834.9479@13.735368 13.735368 834.9479 398.2192@13.499852 13.499852 398.2192 658.2794@13.646908 13.646908 658.2794 271.249@13.66546 13.66546 271.249 695.355@13.587155 13.587155 695.355 495.3865@13.366135 13.366135 495.3865 265.1636@13.730342 13.730342 265.1636 423.2754@13.7457 13.7457 423.2754 243.1828@13.810776 13.810776 243.1828 162.1395@13.750319 13.750319 162.1395 225.1727@13.879389 13.879389 225.1727 197.1773@13.713544 13.713544 197.1773 227.1866@13.898059 13.898059 227.1866 367.3079@13.717655 13.717655 367.3079 472.3845@13.8116865 13.8116865 472.3845 953.6857@13.718501 13.718501 953.6857 241.2018@13.724457 13.724457 241.2018 192.1473@13.815865 13.815865 192.1473 113.0817@13.72943 13.72943 113.0817 127.0987@13.724101 13.724101 127.0987 610.4726@13.512013 13.512013 610.4726 801.6604@13.734022 13.734022 801.6604 853.629@13.856554 13.856554 853.629 546.3963@13.728019 13.728019 546.3963 833.9437@13.891553 13.891553 833.9437 872.5417@13.777867 13.777867 872.5417 546.3908@14.023952 14.023952 546.3908 695.353@13.643671 13.643671 695.353 873.5548@13.711921 13.711921 873.5548 836.116@13.676569 13.676569 836.116 762.3564@13.866289 13.866289 762.3564 881.5797@13.848536 13.848536 881.5797 884.5412@13.798363 13.798363 884.5412 991.7154@13.846237 13.846237 991.7154 80.0631@13.753905 13.753905 80.0631 192.1485@13.866961 13.866961 192.1485 180.1505@13.81906 13.81906 180.1505 644.4816@13.877298 13.877298 644.4816 763.3039@13.917107 13.917107 763.3039 768.0348@14.185463 14.185463 768.0348 C29 H51 N O2 S 893.5942@13.652911 13.652911 893.5942 795.0718@14.252479 14.252479 795.0718 875.6174@14.149597 14.149597 875.6174 760.917@14.097062 14.097062 760.917 130.9539@14.206507 14.206507 130.9539 569.3986@14.028549 14.028549 569.3986 339.3792@14.054867 14.054867 339.3792 670.5581@14.097783 14.097783 670.5581 639.5405@14.056836 14.056836 639.5405 763.1282@14.207339 14.207339 763.1282 586.5412@14.600813 14.600813 586.5412 650.527@14.077948 14.077948 650.527 431.3794@14.1308 14.1308 431.3794 622.495@14.150113 14.150113 622.495 368.3422@14.20996 14.20996 368.3422 882.5299@14.139411 14.139411 882.5299 C16 Sphinganine + 14.166405 767.9301@14.371076 14.371076 767.9301 490.3649@13.9231205 13.9231205 490.3649 779.8706@14.232116 14.232116 779.8706 847.542@14.3350525 14.3350525 847.542 780.2751@14.176417 14.176417 780.2751 786.071@14.48383 14.48383 786.071 760.1592@14.237656 14.237656 760.1592 814.961@14.241025 14.241025 814.961 879.5756@14.422712 14.422712 879.5756 828.2483@14.275959 14.275959 828.2483 828.1309@14.260065 14.260065 828.1309 847.7528@14.212219 14.212219 847.7528 863.6149@13.8910055 13.8910055 863.6149 829.0393@14.458394 14.458394 829.0393 768.3101@14.321191 14.321191 768.3101 815.8648@14.011692 14.011692 815.8648 563.4412@14.324831 14.324831 563.4412 697.519@14.47414 14.47414 697.519 304.2376@14.35426 14.35426 304.2376 843.5205@14.553317 14.553317 843.5205 808.9108@14.22081 14.22081 808.9108 767.076@14.391337 14.391337 767.076 763.055@14.360435 14.360435 763.055 667.6083@14.352895 14.352895 667.6083 762.215@14.521319 14.521319 762.215 550.4207@14.436175 14.436175 550.4207 375.3373@14.646265 14.646265 375.3373 789.561@14.266914 14.266914 789.561 471.4018@14.486244 14.486244 471.4018 253.2046@14.486572 14.486572 253.2046 806.9021@14.516381 14.516381 806.9021 846.2844@14.336877 14.336877 846.2844 413.3586@14.521241 14.521241 413.3586 377.3066@14.533913 14.533913 377.3066 564.4085@14.565362 14.565362 564.4085 773.2401@14.415718 14.415718 773.2401 309.3022@14.559476 14.559476 309.3022 566.4196@14.59322 14.59322 566.4196 745.0669@14.605796 14.605796 745.0669 424.2828@14.715799 14.715799 424.2828 722.5332@14.658075 14.658075 722.5332 859.6102@14.403952 14.403952 859.6102 271.2144@14.636456 14.636456 271.2144 253.2028@14.63521 14.63521 253.2028 435.3343@14.613164 14.613164 435.3343 786.0909@14.459643 14.459643 786.0909 381.0197@14.687976 14.687976 381.0197 380.7481@14.691984 14.691984 380.7481 706.5822@14.681071 14.681071 706.5822 70.0765@14.685034 14.685034 70.0765 84.0931@14.695992 14.695992 84.0931 761.1126@14.709022 14.709022 761.1126 789.2157@14.809729 14.809729 789.2157 703.1909@14.825982 14.825982 703.1909 774.0428@14.466697 14.466697 774.0428 585.5011@14.728064 14.728064 585.5011 552.1941@14.727664 14.727664 552.1941 564.4002@14.722861 14.722861 564.4002 943.5507@14.564169 14.564169 943.5507 1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine 704.3348@14.7531185 14.7531185 704.3348 585.8726@14.756125 14.756125 585.8726 584.9262@14.775168 14.775168 584.9262 797.3166@14.757209 14.757209 797.3166 858.5317@14.849856 14.849856 858.5317 880.5124@14.842266 14.842266 880.5124 683.3077@14.850173 14.850173 683.3077 514.404@14.68266 14.68266 514.404 703.2329@14.877232 14.877232 703.2329 729.5692@14.896123 14.896123 729.5692 789.3933@14.866614 14.866614 789.3933 745.2111@14.88742 14.88742 745.2111 706.1196@14.90045 14.90045 706.1196 572.4576@14.865251 14.865251 572.4576 914.5825@14.430721 14.430721 914.5825 704.3406@14.914481 14.914481 704.3406 906.5285@14.914481 14.914481 906.5285 923.0053@0.6880708 0.6880708 923.0053 C8 H6 N4 S3 559.8399@0.8151363 0.8151363 559.8399 673.7561@0.8208559 0.8208559 673.7561 621.7764@0.82132167 0.82132167 621.7764 793.6638@0.8257039 0.8257039 793.6638 595.7484@0.8272631 0.8272631 595.7484 721.6801@0.82770693 0.82770693 721.6801 657.6989@0.83129966 0.83129966 657.6989 601.7275@0.829072 0.829072 601.7275 649.6635@0.8330252 0.8330252 649.6635 339.7885@0.8350823 0.8350823 339.7885 791.4686@0.8452105 0.8452105 791.4686 603.5648@0.8461304 0.8461304 603.5648 795.4355@0.8482179 0.8482179 795.4355 754.6597@0.85590583 0.85590583 754.6597 839.3934@0.851102 0.851102 839.3934 769.5531@0.85241294 0.85241294 769.5531 105.0792@0.8782349 0.8782349 105.0792 180.0013@0.88105506 0.88105506 180.0013 322.2111@0.9290463 0.9290463 322.2111 232.1252@0.98590475 0.98590475 232.1252 154.0463@1.0234573 1.0234573 154.0463 60.0324@1.040072 1.040072 60.0324 83.0376@1.1471297 1.1471297 83.0376 60.0331@1.1578964 1.1578964 60.0331 79.0419@1.1233714 1.1233714 79.0419 922.38@1.1663699 1.1663699 922.38 268.1101@1.1863797 1.1863797 268.1101 87.1025@1.2315197 1.2315197 87.1025 204.2387@1.2457551 1.2457551 204.2387 317.1124@1.1820793 1.1820793 317.1124 216.1223@1.2493911 1.2493911 216.1223 122.0391@1.1851351 1.1851351 122.0391 285.1152@1.2164234 1.2164234 285.1152 281.1174@1.2203474 1.2203474 281.1174 257.1018@1.2132332 1.2132332 257.1018 199.118@1.1921762 1.1921762 199.118 290.0629@1.2083651 1.2083651 290.0629 99.0685@1.3154182 1.3154182 99.0685 127.0968@1.2818162 1.2818162 127.0968 919.2895@1.3673154 1.3673154 919.2895 68.0552@1.3584658 1.3584658 68.0552 175.0582@1.6506159 1.6506159 175.0582 152.058@1.8476102 1.8476102 152.058 99.0686@2.058119 2.058119 99.0686 217.1307@2.8380911 2.8380911 217.1307 159.078@3.0052702 3.0052702 159.078 129.0782@3.0764437 3.0764437 129.0782 115.0985@3.089754 3.089754 115.0985 145.0558@3.11828 3.11828 145.0558 792.219@3.1621456 3.1621456 792.219 973.2639@3.1605446 3.1605446 973.2639 963.2998@3.1625419 3.1625419 963.2998 786.1971@3.164182 3.164182 786.1971 195.1183@3.261497 3.261497 195.1183 195.1184@3.385721 3.385721 195.1184 181.1797@3.346124 3.346124 181.1797 161.0456@3.3449037 3.3449037 161.0456 286.0061@3.3481236 3.3481236 286.0061 426.0755@3.352524 3.352524 426.0755 137.0588@3.3526735 3.3526735 137.0588 638.0759@3.347378 3.347378 638.0759 224.0281@3.346833 3.346833 224.0281 162.0536@3.3496423 3.3496423 162.0536 349.0778@3.3569927 3.3569927 349.0778 250.0464@3.3820093 3.3820093 250.0464 143.0936@3.4263034 3.4263034 143.0936 177.085@3.451221 3.451221 177.085 186.1351@3.5624707 3.5624707 186.1351 917.2409@3.6302557 3.6302557 917.2409 180.1766@3.5198665 3.5198665 180.1766 626.1767@3.6686268 3.6686268 626.1767 552.1432@3.679721 3.679721 552.1432 174.0267@3.6900654 3.6900654 174.0267 C8 H17 N O 127.1352@3.8029015 3.8029015 127.1352 167.1296@3.8801348 3.8801348 167.1296 72.0574@3.892275 3.892275 72.0574 292.1829@3.9643645 3.9643645 292.1829 208.1313@4.0512805 4.0512805 208.1313 264.1246@4.1054053 4.1054053 264.1246 282.1663@4.160408 4.160408 282.1663 196.1204@4.1295614 4.1295614 196.1204 174.0432@4.1430097 4.1430097 174.0432 292.1821@4.14908 4.14908 292.1821 216.0844@4.1895947 4.1895947 216.0844 143.0725@4.146878 4.146878 143.0725 170.087@4.1901345 4.1901345 170.087 137.0584@4.193323 4.193323 137.0584 958.9567@4.2199197 4.2199197 958.9567 223.0205@4.340912 4.340912 223.0205 252.156@4.356479 4.356479 252.156 269.1833@4.3550344 4.3550344 269.1833 130.1544@4.4251385 4.4251385 130.1544 196.1003@4.417124 4.417124 196.1003 Pinacidil + 4.4855013 72.0576@4.5342517 4.5342517 72.0576 192.1347@4.5909615 4.5909615 192.1347 313.2095@4.6073813 4.6073813 313.2095 72.0575@4.6251597 4.6251597 72.0575 187.1205@4.7894135 4.7894135 187.1205 205.0402@4.7996774 4.7996774 205.0402 169.0138@4.8449593 4.8449593 169.0138 283.198@4.911036 4.911036 283.198 266.1698@4.913468 4.913468 266.1698 138.1143@5.0204606 5.0204606 138.1143 273.1626@5.052012 5.052012 273.1626 178.0765@5.1175046 5.1175046 178.0765 173.1409@5.1212897 5.1212897 173.1409 271.1778@5.350069 5.350069 271.1778 634.3794@5.29403 5.29403 634.3794 318.1213@5.346732 5.346732 318.1213 184.1109@5.5399985 5.5399985 184.1109 272.1615@5.526417 5.526417 272.1615 176.1043@5.5287437 5.5287437 176.1043 470.1679@5.5544577 5.5544577 470.1679 300.1147@5.5545235 5.5545235 300.1147 283.1768@5.4873705 5.4873705 283.1768 198.1228@5.598502 5.598502 198.1228 301.0993@5.608642 5.608642 301.0993 227.1875@5.6240916 5.6240916 227.1875 206.151@5.623113 5.623113 206.151 272.1623@5.66744 5.66744 272.1623 320.1232@5.6726646 5.6726646 320.1232 356.2074@5.6783614 5.6783614 356.2074 336.0973@5.6737146 5.6737146 336.0973 289.1886@5.673207 5.673207 289.1886 187.0628@5.6784663 5.6784663 187.0628 561.3361@5.629807 5.629807 561.3361 196.1091@5.725889 5.725889 196.1091 270.1573@5.737463 5.737463 270.1573 206.1512@5.726901 5.726901 206.1512 148.0367@5.7819576 5.7819576 148.0367 605.3618@5.815344 5.815344 605.3618 915.5581@5.828568 5.828568 915.5581 301.098@5.824948 5.824948 301.098 318.1209@5.7336493 5.7336493 318.1209 341.091@5.8834863 5.8834863 341.091 479.7935@5.9026575 5.9026575 479.7935 649.3894@5.840253 5.840253 649.3894 723.4236@5.9304953 5.9304953 723.4236 100.0882@5.9445586 5.9445586 100.0882 106.0626@5.936072 5.936072 106.0626 179.1508@5.9360013 5.9360013 179.1508 767.4482@6.0184503 6.0184503 767.4482 307.1755@6.116838 6.116838 307.1755 285.3359@6.1035347 6.1035347 285.3359 306.1225@6.35726 6.35726 306.1225 415.3078@6.363552 6.363552 415.3078 307.1779@6.460951 6.460951 307.1779 311.2087@6.471547 6.471547 311.2087 443.3022@6.4926114 6.4926114 443.3022 371.1025@6.5047426 6.5047426 371.1025 170.0964@6.5560994 6.5560994 170.0964 327.0502@6.5620737 6.5620737 327.0502 401.2899@6.617163 6.617163 401.2899 429.3241@6.6092196 6.6092196 429.3241 262.1188@6.7230215 6.7230215 262.1188 398.1502@6.72997 6.72997 398.1502 299.1993@6.9757996 6.9757996 299.1993 463.2145@6.909125 6.909125 463.2145 309.1976@6.8930593 6.8930593 309.1976 333.1223@6.923963 6.923963 333.1223 253.1481@6.9408517 6.9408517 253.1481 280.1642@6.937191 6.937191 280.1642 324.2409@6.9545655 6.9545655 324.2409 346.2228@6.954464 6.954464 346.2228 252.1859@7.011407 7.011407 252.1859 333.1246@7.183242 7.183242 333.1246 483.2939@7.213305 7.213305 483.2939 224.0361@7.218863 7.218863 224.0361 483.2941@7.2668157 7.2668157 483.2941 240.1697@7.29151 7.29151 240.1697 311.2088@7.1349716 7.1349716 311.2088 551.3286@7.3828435 7.3828435 551.3286 595.3555@7.4436593 7.4436593 595.3555 298.1026@7.4558916 7.4558916 298.1026 313.2271@7.6564126 7.6564126 313.2271 639.3819@7.5002127 7.5002127 639.3819 246.0181@7.501163 7.501163 246.0181 463.2751@7.555539 7.555539 463.2751 493.1841@7.5480394 7.5480394 493.1841 384.1701@7.559155 7.559155 384.1701 368.1982@7.5477786 7.5477786 368.1982 683.4075@7.5514083 7.5514083 683.4075 409.2236@7.551753 7.551753 409.2236 313.2249@7.6599126 7.6599126 313.2249 727.4344@7.598172 7.598172 727.4344 447.2994@7.600594 7.600594 447.2994 337.2254@7.648891 7.648891 337.2254 771.4614@7.6418767 7.6418767 771.4614 815.4842@7.681716 7.681716 815.4842 859.5114@7.718076 7.718076 859.5114 190.156@7.735868 7.735868 190.156 499.2946@7.7513695 7.7513695 499.2946 903.5374@7.7542562 7.7542562 903.5374 276.1802@7.7677 7.7677 276.1802 343.1987@8.027398 8.027398 343.1987 250.1309@8.057242 8.057242 250.1309 632.2475@8.184513 8.184513 632.2475 191.1309@8.198326 8.198326 191.1309 279.1469@8.199888 8.199888 279.1469 262.1211@8.199925 8.199925 262.1211 284.1031@8.199922 8.199922 284.1031 214.1547@8.362693 8.362693 214.1547 386.2449@8.468574 8.468574 386.2449 453.3102@8.472442 8.472442 453.3102 632.2468@8.47624 8.47624 632.2468 257.0949@8.481653 8.481653 257.0949 262.0531@8.499521 8.499521 262.0531 370.2244@8.500316 8.500316 370.2244 449.3112@8.58516 8.58516 449.3112 537.3429@8.669822 8.669822 537.3429 632.2487@8.739281 8.739281 632.2487 364.27@8.819422 8.819422 364.27 413.2902@8.821638 8.821638 413.2902 270.2342@8.873506 8.873506 270.2342 170.13@9.01235 9.01235 170.13 562.2089@8.897926 8.897926 562.2089 582.2466@8.920007 8.920007 582.2466 171.161@8.964013 8.964013 171.161 388.2588@8.9892645 8.9892645 388.2588 540.3595@9.068222 9.068222 540.3595 C10 H21 N O 562.2051@9.100294 9.100294 562.2051 208.1398@9.105578 9.105578 208.1398 343.214@9.183024 9.183024 343.214 367.1519@9.147249 9.147249 367.1519 289.2018@9.161358 9.161358 289.2018 487.2772@9.336382 9.336382 487.2772 465.2874@9.212035 9.212035 465.2874 604.2285@9.223746 9.223746 604.2285 709.2221@9.316974 9.316974 709.2221 343.2062@9.270385 9.270385 343.2062 323.0923@9.377444 9.377444 323.0923 594.3648@9.401178 9.401178 594.3648 582.2495@9.372703 9.372703 582.2495 241.2774@9.406238 9.406238 241.2774 352.2253@9.145255 9.145255 352.2253 709.222@9.490853 9.490853 709.222 317.1843@9.4749155 9.4749155 317.1843 529.3598@9.6217785 9.6217785 529.3598 264.1536@9.652381 9.652381 264.1536 436.43@9.641428 9.641428 436.43 475.2728@9.7883 9.7883 475.2728 534.8313@9.662687 9.662687 534.8313 919.5473@9.722965 9.722965 919.5473 677.2318@9.682252 9.682252 677.2318 523.3143@9.685676 9.685676 523.3143 611.3658@9.689501 9.689501 611.3658 567.3395@9.749573 9.749573 567.3395 655.3921@9.694393 9.694393 655.3921 134.1035@9.692529 9.692529 134.1035 248.1731@9.649485 9.649485 248.1731 190.1719@9.6565695 9.6565695 190.1719 264.1521@9.667503 9.667503 264.1521 238.1494@9.731208 9.731208 238.1494 253.1687@9.738657 9.738657 253.1687 659.2222@9.744623 9.744623 659.2222 435.2615@9.818284 9.818284 435.2615 C20 H45 N7 S3 219.1582@9.858599 9.858599 219.1582 311.1537@9.954537 9.954537 311.1537 292.201@9.888268 9.888268 292.201 190.1702@9.828886 9.828886 190.1702 331.27@10.004699 10.004699 331.27 356.2704@9.942442 9.942442 356.2704 620.3818@9.975831 9.975831 620.3818 110.1081@9.9660015 9.9660015 110.1081 198.1622@10.013313 10.013313 198.1622 190.1706@9.96177 9.96177 190.1706 292.2013@9.980014 9.980014 292.2013 919.3758@9.996486 9.996486 919.3758 314.1891@10.161788 10.161788 314.1891 326.0001@10.016646 10.016646 326.0001 393.2911@9.931569 9.931569 393.2911 475.2736@10.045236 10.045236 475.2736 408.2556@9.8824005 9.8824005 408.2556 578.3542@9.839426 9.839426 578.3542 230.1516@10.065203 10.065203 230.1516 539.299@10.041236 10.041236 539.299 659.2211@10.06176 10.06176 659.2211 631.29@10.050115 10.050115 631.29 376.1977@10.058992 10.058992 376.1977 368.2516@9.992167 9.992167 368.2516 414.2707@10.133704 10.133704 414.2707 407.3017@10.172723 10.172723 407.3017 310.2261@10.187297 10.187297 310.2261 327.2409@10.165185 10.165185 327.2409 332.1982@10.161916 10.161916 332.1982 292.2042@10.145138 10.145138 292.2042 465.3079@10.187474 10.187474 465.3079 368.2558@10.1455 10.1455 368.2558 252.175@10.318526 10.318526 252.175 296.0751@10.3459 10.3459 296.0751 331.1144@10.347181 10.347181 331.1144 222.0564@10.346227 10.346227 222.0564 314.0881@10.334112 10.334112 314.0881 352.0424@10.318318 10.318318 352.0424 361.2813@10.586116 10.586116 361.2813 381.2628@10.419816 10.419816 381.2628 319.2364@10.487782 10.487782 319.2364 609.3032@10.523241 10.523241 609.3032 519.6054@10.546041 10.546041 519.6054 633.3004@10.496761 10.496761 633.3004 543.787@10.478924 10.478924 543.787 543.9509@10.627735 10.627735 543.9509 222.1259@10.528939 10.528939 222.1259 366.2378@10.529901 10.529901 366.2378 550.1813@10.583653 10.583653 550.1813 232.2021@10.602481 10.602481 232.2021 319.2354@10.554627 10.554627 319.2354 324.1974@10.600965 10.600965 324.1974 382.2142@10.73759 10.73759 382.2142 550.1806@10.649918 10.649918 550.1806 294.2185@10.680769 10.680769 294.2185 545.0643@10.67115 10.67115 545.0643 889.4853@10.694123 10.694123 889.4853 524.9343@10.676844 10.676844 524.9343 206.1983@10.73108 10.73108 206.1983 745.2783@10.73937 10.73937 745.2783 520.0734@10.726266 10.726266 520.0734 270.2169@10.941744 10.941744 270.2169 659.0161@10.788083 10.788083 659.0161 462.124@10.751642 10.751642 462.124 484.1023@10.764199 10.764199 484.1023 557.2915@10.882856 10.882856 557.2915 154.0409@10.878436 10.878436 154.0409 456.3147@10.83134 10.83134 456.3147 368.2498@10.77342 10.77342 368.2498 278.223@10.960457 10.960457 278.223 567.343@11.036331 11.036331 567.343 309.2233@10.974329 10.974329 309.2233 3-keto palmitic acid 382.2174@10.968038 10.968038 382.2174 505.3348@10.972964 10.972964 505.3348 213.2098@10.830023 10.830023 213.2098 547.3281@11.051623 11.051623 547.3281 387.3095@11.122197 11.122197 387.3095 270.221@11.060445 11.060445 270.221 342.3205@11.085324 11.085324 342.3205 405.2902@10.942139 10.942139 405.2902 393.3206@11.145794 11.145794 393.3206 447.3342@11.217102 11.217102 447.3342 401.2569@11.238297 11.238297 401.2569 497.6639@11.192137 11.192137 497.6639 242.1767@11.247879 11.247879 242.1767 992.0773@11.202943 11.202943 992.0773 85.089@11.06652 11.06652 85.089 458.2444@11.240481 11.240481 458.2444 615.4666@11.216697 11.216697 615.4666 980.0651@11.217678 11.217678 980.0651 496.0894@11.162465 11.162465 496.0894 270.2186@11.0587015 11.0587015 270.2186 C32 H61 N O5 S 611.334@11.246164 11.246164 611.334 555.8363@11.2722645 11.2722645 555.8363 544.3359@11.184216 11.184216 544.3359 246.218@11.290731 11.290731 246.218 533.8224@11.300956 11.300956 533.8224 544.8175@11.137278 11.137278 544.8175 963.5766@11.309044 11.309044 963.5766 696.4374@11.274648 11.274648 696.4374 329.2561@11.343005 11.343005 329.2561 367.2246@11.326988 11.326988 367.2246 522.8031@11.099835 11.099835 522.8031 919.5494@11.326515 11.326515 919.5494 587.3675@11.519125 11.519125 587.3675 387.3244@11.47332 11.47332 387.3244 984.55@11.347312 11.347312 984.55 C15 H35 N3 O5 875.5272@11.339785 11.339785 875.5272 674.4145@11.315328 11.315328 674.4145 268.2033@11.254597 11.254597 268.2033 940.5231@11.371611 11.371611 940.5231 620.4768@11.338476 11.338476 620.4768 831.5086@11.365539 11.365539 831.5086 892.997@11.353204 11.353204 892.997 893.799@11.358111 11.358111 893.799 896.4959@11.39584 11.39584 896.4959 334.2661@11.395671 11.395671 334.2661 893.1953@11.3649845 11.3649845 893.1953 608.8762@11.374802 11.374802 608.8762 852.4621@11.416669 11.416669 852.4621 436.2005@11.461405 11.461405 436.2005 398.2436@11.454603 11.454603 398.2436 492.331@11.366799 11.366799 492.331 764.4189@11.47661 11.47661 764.4189 268.2056@11.4426 11.4426 268.2056 370.1962@11.462031 11.462031 370.1962 204.0786@11.639139 11.639139 204.0786 720.3873@11.482693 11.482693 720.3873 539.3245@11.549263 11.549263 539.3245 883.5421@11.504628 11.504628 883.5421 804.0086@11.521739 11.521739 804.0086 679.314@11.460835 11.460835 679.314 523.6003@11.477861 11.477861 523.6003 451.275@11.578788 11.578788 451.275 696.5162@11.602623 11.602623 696.5162 810.5972@11.531812 11.531812 810.5972 590.3843@11.617122 11.617122 590.3843 922.0058@11.515149 11.515149 922.0058 649.3964@11.570031 11.570031 649.3964 539.3275@11.589293 11.589293 539.3275 3-keto palmitic acid + 11.555159 533.3624@11.513566 11.513566 533.3624 278.2235@11.395153 11.395153 278.2235 407.2492@11.619514 11.619514 407.2492 509.347@11.670856 11.670856 509.347 391.1046@11.660274 11.660274 391.1046 370.0948@11.662259 11.662259 370.0948 280.0431@11.645514 11.645514 280.0431 222.0638@11.6547575 11.6547575 222.0638 351.2394@11.540691 11.540691 351.2394 426.0612@11.65833 11.65833 426.0612 834.5848@11.595152 11.595152 834.5848 572.4455@12.137411 12.137411 572.4455 479.3351@11.747925 11.747925 479.3351 509.3491@11.864289 11.864289 509.3491 583.3518@11.699606 11.699606 583.3518 769.0428@11.685896 11.685896 769.0428 718.451@11.587782 11.587782 718.451 414.2662@11.719456 11.719456 414.2662 429.2419@11.696998 11.696998 429.2419 687.5038@12.062044 12.062044 687.5038 638.4389@12.0953665 12.0953665 638.4389 396.2855@11.594883 11.594883 396.2855 332.283@11.773419 11.773419 332.283 765.5336@12.098213 12.098213 765.5336 274.2331@11.759796 11.759796 274.2331 722.529@11.704007 11.704007 722.529 549.3527@11.798314 11.798314 549.3527 414.265@11.700844 11.700844 414.265 691.4429@11.839752 11.839752 691.4429 502.3389@11.480454 11.480454 502.3389 985.6542@11.958202 11.958202 985.6542 647.4245@11.864188 11.864188 647.4245 322.2348@11.91496 11.91496 322.2348 306.246@11.739724 11.739724 306.246 C36 H61 N S3 807.5751@11.863994 11.863994 807.5751 696.5022@11.879818 11.879818 696.5022 329.2519@11.872957 11.872957 329.2519 615.3559@11.874297 11.874297 615.3559 615.522@11.838723 11.838723 615.522 318.2173@11.7402 11.7402 318.2173 722.5276@11.688811 11.688811 722.5276 367.2536@11.597329 11.597329 367.2536 C25 H50 Cl N9 O3 299.2721@12.004 12.004 299.2721 320.231@11.775917 11.775917 320.231 515.3607@11.883411 11.883411 515.3607 240.179@11.908273 11.908273 240.179 652.4097@11.869319 11.869319 652.4097 652.4437@11.925916 11.925916 652.4437 809.5514@11.963732 11.963732 809.5514 C16 H44 Cl N15 834.6009@12.11997 12.11997 834.6009 630.4259@11.953495 11.953495 630.4259 443.2937@11.985661 11.985661 443.2937 877.6308@12.004767 12.004767 877.6308 622.9453@11.500722 11.500722 622.9453 723.508@12.001327 12.001327 723.508 371.3123@12.048044 12.048044 371.3123 367.3003@11.965163 11.965163 367.3003 877.6318@12.076447 12.076447 877.6318 682.4715@12.066874 12.066874 682.4715 362.2607@12.049448 12.049448 362.2607 384.2313@12.051315 12.051315 384.2313 762.5943@12.09281 12.09281 762.5943 227.2241@12.114977 12.114977 227.2241 399.3345@12.126851 12.126851 399.3345 528.3674@12.435982 12.435982 528.3674 979.6739@12.314341 12.314341 979.6739 545.3917@12.16872 12.16872 545.3917 684.432@12.134953 12.134953 684.432 503.3695@12.128179 12.128179 503.3695 396.2837@11.896061 11.896061 396.2837 484.3566@12.383269 12.383269 484.3566 424.3178@12.165776 12.165776 424.3178 618.412@12.185347 12.185347 618.412 955.6431@12.255734 12.255734 955.6431 705.454@12.223226 12.223226 705.454 351.2394@11.977016 11.977016 351.2394 327.3046@12.247443 12.247443 327.3046 454.3267@12.175647 12.175647 454.3267 891.6374@12.207464 12.207464 891.6374 479.33@12.277879 12.277879 479.33 633.4214@11.972979 11.972979 633.4214 979.6893@12.293049 12.293049 979.6893 575.3648@12.295127 12.295127 575.3648 320.2326@12.276156 12.276156 320.2326 490.8664@12.254806 12.254806 490.8664 735.5125@12.460497 12.460497 735.5125 477.3594@11.935525 11.935525 477.3594 413.3317@12.335488 12.335488 413.3317 653.4271@12.310582 12.310582 653.4271 823.5582@12.284375 12.284375 823.5582 C28 H62 Cl N15 O3 891.643@12.319538 12.319538 891.643 539.4311@12.539826 12.539826 539.4311 423.4106@12.346568 12.346568 423.4106 508.3553@12.373897 12.373897 508.3553 426.3665@12.295884 12.295884 426.3665 555.371@12.116208 12.116208 555.371 664.4445@12.300774 12.300774 664.4445 490.362@12.339494 12.339494 490.362 424.2172@12.47645 12.47645 424.2172 481.3773@12.356995 12.356995 481.3773 760.5775@12.326281 12.326281 760.5775 320.2341@12.373114 12.373114 320.2341 557.3972@12.414176 12.414176 557.3972 340.2023@12.460921 12.460921 340.2023 110.1086@12.47264 12.47264 110.1086 912.5021@12.440035 12.440035 912.5021 382.3001@12.776577 12.776577 382.3001 801.5343@12.232672 12.232672 801.5343 426.3345@12.425917 12.425917 426.3345 528.3495@12.425917 12.425917 528.3495 823.5652@12.544727 12.544727 823.5652 394.2776@12.286621 12.286621 394.2776 749.3066@12.494437 12.494437 749.3066 851.5977@12.533271 12.533271 851.5977 803.5865@12.648859 12.648859 803.5865 722.5297@12.478662 12.478662 722.5297 C28 H58 Cl N9 O3 781.5433@12.447419 12.447419 781.5433 935.6506@12.427468 12.427468 935.6506 481.3967@12.583995 12.583995 481.3967 891.6287@12.4228525 12.4228525 891.6287 320.2347@12.455184 12.455184 320.2347 501.386@12.66626 12.66626 501.386 C26 H54 Cl N9 O2 448.3467@12.502334 12.502334 448.3467 227.2242@12.570198 12.570198 227.2242 684.4269@12.548118 12.548118 684.4269 398.3045@12.658446 12.658446 398.3045 579.4108@12.423118 12.423118 579.4108 891.618@12.491275 12.491275 891.618 599.3625@12.629929 12.629929 599.3625 643.3872@12.640139 12.640139 643.3872 599.361@12.671496 12.671496 599.361 250.1924@12.614478 12.614478 250.1924 313.2639@12.688537 12.688537 313.2639 484.362@12.652992 12.652992 484.362 600.9339@12.712929 12.712929 600.9339 373.2981@12.636939 12.636939 373.2981 906.6669@12.830938 12.830938 906.6669 677.4569@12.955261 12.955261 677.4569 486.3849@12.827751 12.827751 486.3849 650.4408@12.791629 12.791629 650.4408 950.692@12.760918 12.760918 950.692 398.3641@12.669548 12.669548 398.3641 376.3069@12.884444 12.884444 376.3069 628.4951@12.741146 12.741146 628.4951 258.2192@12.764976 12.764976 258.2192 428.2652@12.86334 12.86334 428.2652 484.1048@12.785761 12.785761 484.1048 500.0788@12.78288 12.78288 500.0788 148.0374@12.767045 12.767045 148.0374 479.1503@12.785269 12.785269 479.1503 370.0974@12.785861 12.785861 370.0974 465.1229@12.718949 12.718949 465.1229 296.2376@12.722853 12.722853 296.2376 877.632@12.783977 12.783977 877.632 713.5044@12.734567 12.734567 713.5044 662.4467@12.58992 12.58992 662.4467 615.5211@12.755062 12.755062 615.5211 993.7139@12.676805 12.676805 993.7139 322.1963@12.822073 12.822073 322.1963 801.5306@12.688493 12.688493 801.5306 722.5272@13.143992 13.143992 722.5272 795.6033@13.077885 13.077885 795.6033 509.3977@13.096389 13.096389 509.3977 618.5029@12.765799 12.765799 618.5029 540.4398@12.894095 12.894095 540.4398 712.502@12.781193 12.781193 712.502 671.4148@12.891324 12.891324 671.4148 376.2975@12.70302 12.70302 376.2975 437.3714@12.705363 12.705363 437.3714 409.3181@12.96059 12.96059 409.3181 486.3841@13.035248 13.035248 486.3841 771.142@12.911342 12.911342 771.142 173.1039@12.8645935 12.8645935 173.1039 477.3469@12.971347 12.971347 477.3469 373.2977@12.844833 12.844833 373.2977 760.6224@12.907138 12.907138 760.6224 989.804@12.84776 12.84776 989.804 678.5297@12.916045 12.916045 678.5297 741.552@12.623604 12.623604 741.552 705.4613@12.954908 12.954908 705.4613 320.2335@12.696065 12.696065 320.2335 628.4924@12.9157715 12.9157715 628.4924 673.4474@12.977599 12.977599 673.4474 553.1689@12.668195 12.668195 553.1689 553.3668@12.786828 12.786828 553.3668 310.2445@13.05498 13.05498 310.2445 496.4139@12.947244 12.947244 496.4139 426.2401@13.034422 13.034422 426.2401 421.2899@13.268373 13.268373 421.2899 447.1726@13.062262 13.062262 447.1726 800.2139@13.077556 13.077556 800.2139 816.1873@13.077109 13.077109 816.1873 427.0727@13.080393 13.080393 427.0727 316.2528@13.029828 13.029828 316.2528 395.253@12.999893 12.999893 395.253 411.0988@13.083133 13.083133 411.0988 496.4119@12.997559 12.997559 496.4119 760.5645@13.025238 13.025238 760.5645 703.5139@12.753718 12.753718 703.5139 458.3312@13.307257 13.307257 458.3312 749.5386@13.550024 13.550024 749.5386 578.4204@13.037228 13.037228 578.4204 634.4489@13.124965 13.124965 634.4489 584.4663@12.961159 12.961159 584.4663 615.522@13.066174 13.066174 615.522 662.4488@13.051722 13.051722 662.4488 488.3447@12.927628 12.927628 488.3447 722.5314@13.203807 13.203807 722.5314 843.5238@12.663799 12.663799 843.5238 559.3909@13.162288 13.162288 559.3909 741.5548@12.938153 12.938153 741.5548 500.364@13.345479 13.345479 500.364 745.56@13.064582 13.064582 745.56 394.2808@13.1509695 13.1509695 394.2808 426.2964@13.136124 13.136124 426.2964 675.4528@13.10187 13.10187 675.4528 590.4401@12.78233 12.78233 590.4401 468.3546@13.141429 13.141429 468.3546 290.1938@13.186368 13.186368 290.1938 437.3659@13.091876 13.091876 437.3659 488.3486@13.287132 13.287132 488.3486 452.3837@13.334847 13.334847 452.3837 656.0299@13.131459 13.131459 656.0299 946.5361@13.218889 13.218889 946.5361 C31 H58 Cl N7 O8 S 658.7839@13.219405 13.219405 658.7839 354.3056@13.171399 13.171399 354.3056 600.4806@13.582504 13.582504 600.4806 854.4295@13.21808 13.21808 854.4295 669.4715@13.136609 13.136609 669.4715 797.5977@13.185036 13.185036 797.5977 687.5009@12.777278 12.777278 687.5009 574.4684@13.200621 13.200621 574.4684 536.5188@13.225531 13.225531 536.5188 338.2518@13.256899 13.256899 338.2518 801.5278@13.361297 13.361297 801.5278 895.5294@12.827962 12.827962 895.5294 398.2494@13.085237 13.085237 398.2494 484.3692@13.193947 13.193947 484.3692 977.7193@13.467193 13.467193 977.7193 895.5409@13.475166 13.475166 895.5409 437.3701@13.158104 13.158104 437.3701 466.3355@13.287283 13.287283 466.3355 678.4413@13.295072 13.295072 678.4413 661.4384@13.107569 13.107569 661.4384 649.4329@13.076505 13.076505 649.4329 977.7206@13.42007 13.42007 977.7206 737.5275@13.389787 13.389787 737.5275 622.4779@13.3525 13.3525 622.4779 797.6104@13.353473 13.353473 797.6104 553.4535@13.419934 13.419934 553.4535 420.0645@13.43726 13.43726 420.0645 718.5374@13.390452 13.390452 718.5374 462.3494@13.368741 13.368741 462.3494 816.602@13.365366 13.365366 816.602 806.993@13.795496 13.795496 806.993 689.4644@13.464311 13.464311 689.4644 979.6854@13.482938 13.482938 979.6854 618.5005@13.406993 13.406993 618.5005 711.4473@13.450396 13.450396 711.4473 532.4216@13.366383 13.366383 532.4216 632.4619@13.519559 13.519559 632.4619 536.5277@13.33907 13.33907 536.5277 854.5696@13.607654 13.607654 854.5696 820.5571@13.055087 13.055087 820.5571 851.548@13.127691 13.127691 851.548 542.3915@13.4283495 13.4283495 542.3915 748.5435@13.5023 13.5023 748.5435 843.526@13.251497 13.251497 843.526 703.5183@13.369344 13.369344 703.5183 662.4487@13.812889 13.812889 662.4487 764.535@13.41283 13.41283 764.535 797.594@13.41283 13.41283 797.594 819.7155@13.486662 13.486662 819.7155 653.335@13.6031885 13.6031885 653.335 807.9256@13.393558 13.393558 807.9256 615.5251@13.413804 13.413804 615.5251 863.5839@13.5626545 13.5626545 863.5839 877.5647@13.527492 13.527492 877.5647 678.4497@13.35236 13.35236 678.4497 895.5309@13.414777 13.414777 895.5309 696.4999@13.41575 13.41575 696.4999 287.2465@13.826905 13.826905 287.2465 963.5411@13.417695 13.417695 963.5411 476.3536@13.54801 13.54801 476.3536 470.3525@13.328493 13.328493 470.3525 492.3788@13.6418705 13.6418705 492.3788 512.3593@13.508538 13.508538 512.3593 754.5297@13.048502 13.048502 754.5297 935.649@13.614812 13.614812 935.649 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637.5733 699.4493@13.879425 13.879425 699.4493 370.2165@13.820496 13.820496 370.2165 405.3275@13.979042 13.979042 405.3275 412.2977@13.912764 13.912764 412.2977 552.3828@13.956903 13.956903 552.3828 488.3539@13.424595 13.424595 488.3539 739.5286@13.696141 13.696141 739.5286 895.7129@13.945301 13.945301 895.7129 878.7204@13.6799555 13.6799555 878.7204 854.6684@13.987022 13.987022 854.6684 444.1134@14.02593 14.02593 444.1134 896.718@14.1758375 14.1758375 896.718 464.1391@14.025351 14.025351 464.1391 334.2508@14.074356 14.074356 334.2508 586.3657@14.416892 14.416892 586.3657 414.1816@14.092073 14.092073 414.1816 820.558@14.0928755 14.0928755 820.558 450.2572@14.092062 14.092062 450.2572 454.1372@14.100913 14.100913 454.1372 952.5726@14.390195 14.390195 952.5726 783.0154@14.138728 14.138728 783.0154 280.2409@13.994469 13.994469 280.2409 846.7412@14.154372 14.154372 846.7412 615.5255@14.299098 14.299098 615.5255 584.4103@13.995064 13.995064 584.4103 751.5125@14.119706 14.119706 751.5125 512.3558@13.912107 13.912107 512.3558 817.6203@14.049395 14.049395 817.6203 856.627@14.395083 14.395083 856.627 523.4087@14.204804 14.204804 523.4087 910.5568@13.895496 13.895496 910.5568 170.1305@13.87872 13.87872 170.1305 462.3637@14.155154 14.155154 462.3637 821.5532@13.936853 13.936853 821.5532 861.5086@13.696244 13.696244 861.5086 791.6951@14.164151 14.164151 791.6951 422.3605@14.21732 14.21732 422.3605 888.5246@13.920244 13.920244 888.5246 785.1933@13.871904 13.871904 785.1933 805.2556@14.073347 14.073347 805.2556 704.4998@13.687808 13.687808 704.4998 C29 H61 N5 O S 871.7506@14.391804 14.391804 871.7506 449.3682@14.25737 14.25737 449.3682 960.8074@14.131024 14.131024 960.8074 747.5421@13.914206 13.914206 747.5421 791.0499@13.957647 13.957647 791.0499 537.4235@14.344803 14.344803 537.4235 846.7428@14.1286125 14.1286125 846.7428 791.69@14.015804 14.015804 791.69 631.4427@14.044957 14.044957 631.4427 616.5191@14.167771 14.167771 616.5191 861.5088@14.147032 14.147032 861.5088 871.7514@14.338379 14.338379 871.7514 326.2198@14.236928 14.236928 326.2198 751.5107@14.211696 14.211696 751.5107 821.5331@13.641584 13.641584 821.5331 781.5665@13.962786 13.962786 781.5665 778.0496@13.953142 13.953142 778.0496 784.1458@14.000371 14.000371 784.1458 783.3428@13.897093 13.897093 783.3428 806.2426@13.93391 13.93391 806.2426 410.3028@14.272606 14.272606 410.3028 785.9512@13.996675 13.996675 785.9512 785.1301@14.224564 14.224564 785.1301 456.2791@14.350164 14.350164 456.2791 545.3978@14.296059 14.296059 545.3978 979.587@14.355964 14.355964 979.587 652.4086@14.377717 14.377717 652.4086 618.593@14.372633 14.372633 618.593 331.2875@14.048762 14.048762 331.2875 420.3377@14.346612 14.346612 420.3377 340.291@14.457925 14.457925 340.291 842.7155@14.350486 14.350486 842.7155 280.2403@14.346632 14.346632 280.2403 562.4211@14.340638 14.340638 562.4211 625.509@14.348099 14.348099 625.509 891.5372@14.4345875 14.4345875 891.5372 767.5506@14.358232 14.358232 767.5506 581.466@14.450272 14.450272 581.466 765.669@14.290853 14.290853 765.669 829.6502@14.368883 14.368883 829.6502 905.7414@14.606641 14.606641 905.7414 C16 H45 N13 936.5638@14.411454 14.411454 936.5638 329.3128@14.388246 14.388246 329.3128 677.4591@14.390182 14.390182 677.4591 785.0608@14.314827 14.314827 785.0608 783.2623@14.1577425 14.1577425 783.2623 357.3015@14.515358 14.515358 357.3015 807.7182@14.467614 14.467614 807.7182 222.0589@14.471485 14.471485 222.0589 370.095@14.472453 14.472453 370.095 630.186@14.585965 14.585965 630.186 633.1474@14.476324 14.476324 633.1474 717.5016@14.506318 14.506318 717.5016 616.4817@14.495456 14.495456 616.4817 880.7433@14.498544 14.498544 880.7433 659.2427@14.536308 14.536308 659.2427 543.3954@14.241617 14.241617 543.3954 855.7014@14.57188 14.57188 855.7014 520.4014@14.643516 14.643516 520.4014 499.2611@14.5546875 14.5546875 499.2611 477.2782@14.653612 14.653612 477.2782 873.7685@14.384237 14.384237 873.7685 763.5444@14.591508 14.591508 763.5444 696.4651@14.56436 14.56436 696.4651 845.7363@14.215135 14.215135 845.7363 765.6763@14.362353 14.362353 765.6763 791.6879@14.638726 14.638726 791.6879 449.2672@14.57113 14.57113 449.2672 768.5679@14.632931 14.632931 768.5679 364.3197@14.573064 14.573064 364.3197 444.3605@14.694562 14.694562 444.3605 422.3354@14.589557 14.589557 422.3354 817.704@14.576933 14.576933 817.704 897.6324@14.75724 14.75724 897.6324 873.7646@14.44284 14.44284 873.7646 796.6458@14.608845 14.608845 796.6458 878.7253@14.6202965 14.6202965 878.7253 912.536@14.783893 14.783893 912.536 449.2343@14.635919 14.635919 449.2343 531.0447@14.647519 14.647519 531.0447 863.5855@14.648487 14.648487 863.5855 604.4938@14.662599 14.662599 604.4938 829.05@14.592281 14.592281 829.05 807.3413@14.491222 14.491222 807.3413 700.2296@14.830919 14.830919 700.2296 528.3775@14.708416 14.708416 528.3775 808.9222@14.511309 14.511309 808.9222 912.5247@14.767766 14.767766 912.5247 808.9867@14.592338 14.592338 808.9867 832.5837@14.507996 14.507996 832.5837 424.2826@14.706877 14.706877 424.2826 700.2419@14.756552 14.756552 700.2419 897.5775@14.318879 14.318879 897.5775 184.036@0.7730274 0.7730274 184.036 95.9812@0.7690101 0.7690101 95.9812 307.9471@0.80650216 0.80650216 307.9471 168.0866@0.8075964 0.8075964 168.0866 573.851@0.8126422 0.8126422 573.851 753.7633@0.8155216 0.8155216 753.7633 305.976@0.82406795 0.82406795 305.976 741.7422@0.8190276 0.8190276 741.7422 177.0518@0.82041776 0.82041776 177.0518 503.0929@0.82378393 0.82378393 503.0929 929.5772@0.82703227 0.82703227 929.5772 805.6469@0.82852507 0.82852507 805.6469 849.6094@0.83328795 0.83328795 849.6094 273.8734@0.8271478 0.8271478 273.8734 777.626@0.8313566 0.8313566 777.626 661.7222@0.8253489 0.8253489 661.7222 459.7753@0.82932603 0.82932603 459.7753 531.7496@0.82976955 0.82976955 531.7496 719.6762@0.82901835 0.82901835 719.6762 903.5614@0.8350283 0.8350283 903.5614 973.5305@0.835033 0.835033 973.5305 787.6503@0.83163375 0.83163375 787.6503 649.6689@0.83515257 0.83515257 649.6689 897.5629@0.83516204 0.83516204 897.5629 915.5408@0.83353716 0.83353716 915.5408 983.4921@0.8370332 0.8370332 983.4921 845.5982@0.83678615 0.83678615 845.5982 617.6893@0.8368859 0.8368859 617.6893 859.574@0.835767 0.835767 859.574 993.4875@0.8355154 0.8355154 993.4875 957.5191@0.8343562 0.8343562 957.5191 855.5791@0.8363603 0.8363603 855.5791 979.5188@0.8325228 0.8325228 979.5188 635.6534@0.833711 0.833711 635.6534 827.5665@0.83434886 0.83434886 827.5665 883.554@0.8390423 0.8390423 883.554 877.5526@0.835767 0.835767 877.5526 943.5071@0.8360163 0.8360163 943.5071 975.4888@0.8400335 0.8400335 975.4888 949.5046@0.84002924 0.84002924 949.5046 961.4872@0.8410336 0.8410336 961.4872 823.5521@0.8355118 0.8355118 823.5521 953.5188@0.83572805 0.83572805 953.5188 873.5372@0.83968335 0.83968335 873.5372 675.6855@0.8420337 0.8420337 675.6855 851.5682@0.84000933 0.84000933 851.5682 763.5966@0.84102327 0.84102327 763.5966 925.4921@0.8445226 0.8445226 925.4921 901.5131@0.8430213 0.8430213 901.5131 867.5169@0.8423536 0.8423536 867.5169 213.051@0.877571 0.877571 213.051 386.1368@0.8600117 0.8600117 386.1368 206.0132@0.8400156 0.8400156 206.0132 195.858@0.85102195 0.85102195 195.858 509.8134@0.86551565 0.86551565 509.8134 330.107@0.8973473 0.8973473 330.107 147.1015@0.9018367 0.9018367 147.1015 361.1462@0.9091859 0.9091859 361.1462 159.0893@0.91119456 0.91119456 159.0893 260.0254@0.9250422 0.9250422 260.0254 375.1605@0.94108665 0.94108665 375.1605 216.1413@0.94202995 0.94202995 216.1413 242.1377@1.0025971 1.0025971 242.1377 151.0592@1.0154173 1.0154173 151.0592 256.1535@1.0106118 1.0106118 256.1535 288.2037@1.0157398 1.0157398 288.2037 71.074@1.0537837 1.0537837 71.074 118.0086@1.0455052 1.0455052 118.0086 150.0881@1.0650187 1.0650187 150.0881 115.0933@1.0958002 1.0958002 115.0933 943.9841@1.1112868 1.1112868 943.9841 373.1457@1.1508241 1.1508241 373.1457 923.2747@1.1860771 1.1860771 923.2747 705.2469@1.1870404 1.1870404 705.2469 711.267@1.1915009 1.1915009 711.267 582.1661@1.1890776 1.1890776 582.1661 276.0606@1.1811439 1.1811439 276.0606 399.1448@1.1945484 1.1945484 399.1448 498.1912@1.1795878 1.1795878 498.1912 162.049@1.2110357 1.2110357 162.049 333.1402@1.2080526 1.2080526 333.1402 216.0622@1.2166841 1.2166841 216.0622 143.0933@1.2560259 1.2560259 143.0933 202.0336@1.2244383 1.2244383 202.0336 161.1042@1.1982778 1.1982778 161.1042 180.0465@1.2212026 1.2212026 180.0465 202.1311@1.2420548 1.2420548 202.1311 239.1272@1.2578529 1.2578529 239.1272 821.0094@1.2097337 1.2097337 821.0094 233.1271@1.254246 1.254246 233.1271 113.0544@1.2394837 1.2394837 113.0544 821.0061@1.2878573 1.2878573 821.0061 821.0065@1.38502 1.38502 821.0065 279.1303@1.4211805 1.4211805 279.1303 103.0462@1.4411399 1.4411399 103.0462 229.1493@1.4911355 1.4911355 229.1493 60.033@1.4283178 1.4283178 60.033 129.0423@1.517411 1.517411 129.0423 281.1121@1.5971607 1.5971607 281.1121 242.0765@1.6296638 1.6296638 242.0765 355.1349@1.6491741 1.6491741 355.1349 281.1117@1.6797024 1.6797024 281.1117 242.0765@1.7304118 1.7304118 242.0765 631.1488@1.7487166 1.7487166 631.1488 552.1075@1.7622612 1.7622612 552.1075 261.1204@1.7914503 1.7914503 261.1204 145.073@1.9069989 1.9069989 145.073 201.1124@1.8823247 1.8823247 201.1124 942.9818@1.9287683 1.9287683 942.9818 99.0688@1.9962821 1.9962821 99.0688 165.0658@2.0272315 2.0272315 165.0658 258.0506@2.02733 2.02733 258.0506 242.0759@2.0487738 2.0487738 242.0759 199.1206@2.117764 2.117764 199.1206 859.2886@2.1015835 2.1015835 859.2886 821.0079@2.0682883 2.0682883 821.0079 481.2078@2.0948482 2.0948482 481.2078 944.3736@2.0934525 2.0934525 944.3736 942.9831@2.1463394 2.1463394 942.9831 258.0504@2.2032392 2.2032392 258.0504 242.0759@2.2063909 2.2063909 242.0759 199.1199@2.2094703 2.2094703 199.1199 438.169@2.2843833 2.2843833 438.169 942.9827@2.2393787 2.2393787 942.9827 821.0068@2.297305 2.297305 821.0068 480.1783@2.2874 2.2874 480.1783 917.3255@2.292281 2.292281 917.3255 634.2822@2.296404 2.296404 634.2822 926.301@2.2904012 2.2904012 926.301 781.3435@2.299596 2.299596 781.3435 754.2926@2.2984042 2.2984042 754.2926 944.3778@2.3031166 2.3031166 944.3778 121.0454@2.3952558 2.3952558 121.0454 143.0299@2.3864462 2.3864462 143.0299 240.1462@2.3017583 2.3017583 240.1462 240.1465@2.5095086 2.5095086 240.1465 228.1467@2.4987354 2.4987354 228.1467 958.956@2.5888863 2.5888863 958.956 240.1471@2.7597492 2.7597492 240.1471 293.1467@2.6804082 2.6804082 293.1467 275.137@2.6695976 2.6695976 275.137 73.0889@2.742544 2.742544 73.0889 203.1146@2.7502131 2.7502131 203.1146 295.0591@2.770659 2.770659 295.0591 275.137@2.7880533 2.7880533 275.137 315.1295@2.8047283 2.8047283 315.1295 242.0763@2.8481522 2.8481522 242.0763 185.1399@2.8490696 2.8490696 185.1399 308.0415@2.886535 2.886535 308.0415 289.0777@2.9087756 2.9087756 289.0777 217.2544@2.9132516 2.9132516 217.2544 213.1318@2.9874468 2.9874468 213.1318 195.0383@3.0076091 3.0076091 195.0383 176.0949@2.992005 2.992005 176.0949 182.1044@3.0097225 3.0097225 182.1044 97.0527@3.0989008 3.0989008 97.0527 167.0386@3.1221483 3.1221483 167.0386 793.2209@3.1630554 3.1630554 793.2209 951.2529@3.1654985 3.1654985 951.2529 882.2406@3.1679387 3.1679387 882.2406 975.3169@3.1639764 3.1639764 975.3169 969.3116@3.1656947 3.1656947 969.3116 492.6451@3.161114 3.161114 492.6451 989.268@3.168402 3.168402 989.268 821.004@3.168388 3.168388 821.004 921.0025@3.1788056 3.1788056 921.0025 942.9815@3.2161145 3.2161145 942.9815 309.1204@3.2342057 3.2342057 309.1204 333.1515@3.2340317 3.2340317 333.1515 83.037@3.23199 3.23199 83.037 121.0476@3.2888684 3.2888684 121.0476 183.0325@3.3073337 3.3073337 183.0325 178.0773@3.3046498 3.3046498 178.0773 212.1433@3.4061387 3.4061387 212.1433 184.0712@3.4095764 3.4095764 184.0712 426.1494@3.411654 3.411654 426.1494 166.0628@3.410077 3.410077 166.0628 242.1753@3.4499369 3.4499369 242.1753 94.0418@3.41253 3.41253 94.0418 913.242@3.639722 3.639722 913.242 169.0538@3.647983 3.647983 169.0538 299.1846@3.6959598 3.6959598 299.1846 821.0069@3.885239 3.885239 821.0069 154.063@4.0090637 4.0090637 154.063 145.0576@4.079274 4.079274 145.0576 233.1256@4.254755 4.254755 233.1256 255.1083@4.253518 4.253518 255.1083 227.0555@4.4058714 4.4058714 227.0555 146.0827@4.5509515 4.5509515 146.0827 214.1177@4.5930796 4.5930796 214.1177 257.1626@4.634681 4.634681 257.1626 257.1627@4.881083 4.881083 257.1627 211.1167@5.057243 5.057243 211.1167 225.0285@5.2570925 5.2570925 225.0285 188.1035@5.3583593 5.3583593 188.1035 271.1782@5.4428844 5.4428844 271.1782 429.239@5.651079 5.651079 429.239 273.1948@5.879594 5.879594 273.1948 273.1936@5.9265084 5.9265084 273.1936 285.194@6.3049064 6.3049064 285.194 480.2711@6.4594803 6.4594803 480.2711 502.2542@6.457225 6.457225 502.2542 497.2984@6.4592967 6.4592967 497.2984 325.1906@6.9839807 6.9839807 325.1906 248.1781@7.241083 7.241083 248.1781 323.1928@7.640333 7.640333 323.1928 307.211@7.6371956 7.6371956 307.211 357.2499@7.649102 7.649102 357.2499 315.2394@7.9479547 7.9479547 315.2394 250.1307@8.06304 8.06304 250.1307 293.1969@8.157644 8.157644 293.1969 349.2259@7.9284754 7.9284754 349.2259 549.2847@8.146974 8.146974 549.2847 883.3362@8.17773 8.17773 883.3362 353.1981@8.201554 8.201554 353.1981 271.1207@8.318427 8.318427 271.1207 885.335@8.3736105 8.3736105 885.335 887.4221@8.377629 8.377629 887.4221 815.7583@8.40576 8.40576 815.7583 886.9826@8.460012 8.460012 886.9826 735.8669@8.480106 8.480106 735.8669 882.9731@8.501206 8.501206 882.9731 974.7642@8.518287 8.518287 974.7642 271.1806@8.524712 8.524712 271.1806 981.7991@8.537377 8.537377 981.7991 969.1352@8.716151 8.716151 969.1352 758.3695@8.580585 8.580585 758.3695 868.117@8.611735 8.611735 868.117 869.0235@8.825384 8.825384 869.0235 965.5734@8.692128 8.692128 965.5734 788.3168@8.717252 8.717252 788.3168 800.9429@8.600533 8.600533 800.9429 871.2673@8.732327 8.732327 871.2673 784.8789@8.747402 8.747402 784.8789 821.3282@8.813736 8.813736 821.3282 806.7579@8.81474 8.81474 806.7579 969.2547@8.828812 8.828812 969.2547 975.6225@8.975388 8.975388 975.6225 831.3766@8.846905 8.846905 831.3766 870.0086@8.886105 8.886105 870.0086 876.9126@8.988968 8.988968 876.9126 831.7752@8.917265 8.917265 831.7752 878.7837@8.935359 8.935359 878.7837 879.2143@9.038903 9.038903 879.2143 870.1039@9.131398 9.131398 870.1039 343.1977@9.301639 9.301639 343.1977 862.4789@9.166177 9.166177 862.4789 923.766@9.159551 9.159551 923.766 915.9103@9.183682 9.183682 915.9103 973.7591@9.325469 9.325469 973.7591 343.1997@9.38114 9.38114 343.1997 784.5753@9.463255 9.463255 784.5753 534.2994@9.32238 9.32238 534.2994 784.5796@9.962286 9.962286 784.5796 727.533@9.960582 9.960582 727.533 310.2305@10.136414 10.136414 310.2305 785.5911@10.2270155 10.2270155 785.5911 279.1707@10.326657 10.326657 279.1707 784.5797@10.366964 10.366964 784.5797 796.5447@10.4878025 10.4878025 796.5447 567.3603@10.950184 10.950184 567.3603 253.2097@10.998554 10.998554 253.2097 C43 H62 N2 O2 307.202@11.075363 11.075363 307.202 367.2318@11.1446905 11.1446905 367.2318 497.6927@11.262124 11.262124 497.6927 721.2758@11.269637 11.269637 721.2758 497.5981@11.281324 11.281324 497.5981 609.0953@11.279765 11.279765 609.0953 577.8494@11.284388 11.284388 577.8494 496.6574@11.296904 11.296904 496.6574 292.2016@11.262496 11.262496 292.2016 565.1306@11.318075 11.318075 565.1306 359.2234@11.327728 11.327728 359.2234 440.3412@11.715438 11.715438 440.3412 919.5556@11.33733 11.33733 919.5556 875.5436@11.386633 11.386633 875.5436 892.8965@11.41729 11.41729 892.8965 849.018@11.458223 11.458223 849.018 803.9326@11.482425 11.482425 803.9326 399.2651@11.48067 11.48067 399.2651 746.5396@11.5328455 11.5328455 746.5396 655.3565@11.542931 11.542931 655.3565 803.4926@11.418488 11.418488 803.4926 495.3116@11.543854 11.543854 495.3116 586.8616@11.6508465 11.6508465 586.8616 523.3542@11.681316 11.681316 523.3542 803.4958@11.828356 11.828356 803.4958 429.2415@11.702297 11.702297 429.2415 569.3581@11.804714 11.804714 569.3581 300.1383@11.889702 11.889702 300.1383 365.2897@11.860221 11.860221 365.2897 854.5789@12.027039 12.027039 854.5789 724.5321@11.903049 11.903049 724.5321 278.153@11.857493 11.857493 278.153 746.5341@12.366163 12.366163 746.5341 471.3208@11.917833 11.917833 471.3208 515.3471@11.911153 11.911153 515.3471 725.0159@12.082149 12.082149 725.0159 433.3164@12.209212 12.209212 433.3164 389.2908@12.064437 12.064437 389.2908 282.2239@12.097566 12.097566 282.2239 321.286@12.116186 12.116186 321.286 457.3405@12.160699 12.160699 457.3405 269.3045@11.765883 11.765883 269.3045 770.9761@12.098043 12.098043 770.9761 394.2931@12.42976 12.42976 394.2931 426.3517@12.427567 12.427567 426.3517 886.5553@11.672283 11.672283 886.5553 789.578@12.203685 12.203685 789.578 481.34@12.4093485 12.4093485 481.34 449.3133@11.9387045 11.9387045 449.3133 746.5581@12.26739 12.26739 746.5581 601.4256@12.379771 12.379771 601.4256 385.3624@12.098096 12.098096 385.3624 499.3798@12.455727 12.455727 499.3798 886.5537@12.390426 12.390426 886.5537 595.8716@12.290867 12.290867 595.8716 901.5818@12.427204 12.427204 901.5818 735.531@12.551651 12.551651 735.531 888.5593@12.326253 12.326253 888.5593 725.5507@12.156757 12.156757 725.5507 413.3425@12.801555 12.801555 413.3425 749.5343@12.514448 12.514448 749.5343 771.5796@11.994844 11.994844 771.5796 666.51@12.135416 12.135416 666.51 901.5812@12.37764 12.37764 901.5812 912.5918@12.154874 12.154874 912.5918 484.3425@12.185327 12.185327 484.3425 457.338@12.3451 12.3451 457.338 717.5703@12.389553 12.389553 717.5703 359.3459@12.65197 12.65197 359.3459 660.4285@12.398642 12.398642 660.4285 682.4796@12.299523 12.299523 682.4796 779.5452@12.389804 12.389804 779.5452 875.5635@12.151835 12.151835 875.5635 402.2331@12.430643 12.430643 402.2331 426.2626@12.425111 12.425111 426.2626 626.5256@12.22316 12.22316 626.5256 955.6156@12.413875 12.413875 955.6156 594.8683@12.383179 12.383179 594.8683 803.5776@12.4590845 12.4590845 803.5776 745.58@12.462918 12.462918 745.58 481.3259@12.334067 12.334067 481.3259 901.5806@12.826465 12.826465 901.5806 691.4858@12.557482 12.557482 691.4858 705.5763@12.238707 12.238707 705.5763 743.5758@12.543904 12.543904 743.5758 464.3383@12.457265 12.457265 464.3383 557.4048@12.674343 12.674343 557.4048 993.7131@12.493562 12.493562 993.7131 771.5817@12.494571 12.494571 771.5817 912.5413@12.728008 12.728008 912.5413 867.5824@12.485597 12.485597 867.5824 476.3504@12.278394 12.278394 476.3504 775.5459@12.327247 12.327247 775.5459 C21 H30 N10 O 513.3709@12.382125 12.382125 513.3709 545.8573@12.526888 12.526888 545.8573 529.3646@12.32493 12.32493 529.3646 688.5067@12.392509 12.392509 688.5067 426.26@12.457876 12.457876 426.26 491.3581@12.4109745 12.4109745 491.3581 572.8532@12.480341 12.480341 572.8532 935.6477@12.3806305 12.3806305 935.6477 735.5235@12.463795 12.463795 735.5235 551.3667@12.297697 12.297697 551.3667 243.2184@12.409038 12.409038 243.2184 476.3522@12.595565 12.595565 476.3522 717.5598@12.429899 12.429899 717.5598 875.5651@12.6016245 12.6016245 875.5651 471.3534@12.55652 12.55652 471.3534 813.6354@12.605665 12.605665 813.6354 515.3814@12.562601 12.562601 515.3814 777.0511@12.870892 12.870892 777.0511 876.5699@12.481649 12.481649 876.5699 750.5615@12.263151 12.263151 750.5615 616.427@12.439736 12.439736 616.427 835.6094@12.80944 12.80944 835.6094 703.571@12.637987 12.637987 703.571 766.5631@12.83213 12.83213 766.5631 666.5081@12.621967 12.621967 666.5081 725.5505@12.567014 12.567014 725.5505 491.3712@12.611048 12.611048 491.3712 644.3951@12.659199 12.659199 644.3951 370.339@12.6693 12.6693 370.339 647.4602@12.566109 12.566109 647.4602 603.4325@12.629038 12.629038 603.4325 875.5616@12.49132 12.49132 875.5616 545.3549@12.511218 12.511218 545.3549 536.5275@12.712737 12.712737 536.5275 513.3753@12.676247 12.676247 513.3753 476.3465@13.042383 13.042383 476.3465 601.3901@12.684147 12.684147 601.3901 491.3676@12.728901 12.728901 491.3676 515.3797@12.621093 12.621093 515.3797 559.4069@12.611067 12.611067 559.4069 513.3718@12.769764 12.769764 513.3718 491.3646@12.788485 12.788485 491.3646 646.5541@12.965048 12.965048 646.5541 282.2551@12.837192 12.837192 282.2551 556.4057@12.730893 12.730893 556.4057 299.2785@12.882556 12.882556 299.2785 471.3556@12.683044 12.683044 471.3556 539.4373@12.926878 12.926878 539.4373 573.4573@12.9493685 12.9493685 573.4573 671.5198@13.366353 13.366353 671.5198 537.5265@13.03493 13.03493 537.5265 834.6019@13.123591 13.123591 834.6019 556.4057@13.261251 13.261251 556.4057 716.5599@12.910766 12.910766 716.5599 919.6484@12.913796 12.913796 919.6484 345.2789@13.042514 13.042514 345.2789 875.5653@12.92087 12.92087 875.5653 360.3459@12.921881 12.921881 360.3459 535.3907@13.1744995 13.1744995 535.3907 750.5628@12.64565 12.64565 750.5628 499.3467@13.337421 13.337421 499.3467 747.5301@12.963919 12.963919 747.5301 282.2557@12.92334 12.92334 282.2557 800.6045@12.941081 12.941081 800.6045 705.5735@12.967356 12.967356 705.5735 724.5483@12.668506 12.668506 724.5483 558.507@13.05184 13.05184 558.507 731.5532@12.897691 12.897691 731.5532 823.5586@12.6666155 12.6666155 823.5586 919.667@12.9815035 12.9815035 919.667 539.4394@12.972117 12.972117 539.4394 451.4421@12.99177 12.99177 451.4421 461.3552@13.311386 13.311386 461.3552 282.256@13.027993 13.027993 282.256 491.3748@13.125751 13.125751 491.3748 920.6691@13.039111 13.039111 920.6691 823.5545@12.708278 12.708278 823.5545 843.6395@12.837185 12.837185 843.6395 877.6162@12.863132 12.863132 877.6162 943.5495@13.305724 13.305724 943.5495 873.5463@12.851435 12.851435 873.5463 729.5708@13.076508 13.076508 729.5708 823.556@13.097996 13.097996 823.556 495.4131@13.080918 13.080918 495.4131 705.5697@13.101778 13.101778 705.5697 349.3136@13.103621 13.103621 349.3136 843.6247@13.360987 13.360987 843.6247 895.5447@13.363864 13.363864 895.5447 703.571@13.143222 13.143222 703.571 724.5469@13.091895 13.091895 724.5469 820.6026@12.854838 12.854838 820.6026 943.552@13.338354 13.338354 943.552 536.5282@13.275875 13.275875 536.5282 719.5667@13.158029 13.158029 719.5667 873.5434@12.983116 12.983116 873.5434 876.5999@13.149287 13.149287 876.5999 750.5634@13.124109 13.124109 750.5634 734.5646@13.012045 13.012045 734.5646 796.8608@13.152319 13.152319 796.8608 823.554@13.208905 13.208905 823.554 941.5371@13.016291 13.016291 941.5371 818.0654@13.404329 13.404329 818.0654 811.6114@13.098108 13.098108 811.6114 747.5397@13.155352 13.155352 747.5397 809.3658@13.157373 13.157373 809.3658 327.2629@13.126327 13.126327 327.2629 844.6311@13.402574 13.402574 844.6311 808.0794@13.068003 13.068003 808.0794 349.3134@13.1877 13.1877 349.3134 801.5851@13.252772 13.252772 801.5851 890.5503@13.190734 13.190734 890.5503 798.0632@13.355078 13.355078 798.0632 849.6493@13.42681 13.42681 849.6493 873.5507@13.194778 13.194778 873.5507 282.255@13.184503 13.184503 282.255 876.6138@13.2038765 13.2038765 876.6138 539.438@13.289033 13.289033 539.438 750.5618@13.451987 13.451987 750.5618 765.0614@13.655773 13.655773 765.0614 719.5646@13.484014 13.484014 719.5646 794.0643@13.183262 13.183262 794.0643 797.0859@13.625042 13.625042 797.0859 539.435@13.722242 13.722242 539.435 876.622@13.392572 13.392572 876.622 327.2602@13.214264 13.214264 327.2602 431.3434@13.574989 13.574989 431.3434 823.5652@13.424599 13.424599 823.5652 296.2679@13.508583 13.508583 296.2679 791.0327@13.305991 13.305991 791.0327 897.5672@13.305991 13.305991 897.5672 815.5887@12.91057 12.91057 815.5887 794.5996@13.127856 13.127856 794.5996 741.5546@13.329247 13.329247 741.5546 806.0629@13.296266 13.296266 806.0629 787.9347@13.286171 13.286171 787.9347 978.7235@13.387698 13.387698 978.7235 898.5658@13.38282 13.38282 898.5658 787.1731@13.502389 13.502389 787.1731 730.5705@13.188264 13.188264 730.5705 801.5767@13.263544 13.263544 801.5767 349.3158@13.408119 13.408119 349.3158 784.2892@13.462734 13.462734 784.2892 995.5991@13.258059 13.258059 995.5991 347.2889@13.468803 13.468803 347.2889 934.6975@13.676728 13.676728 934.6975 752.5624@13.374473 13.374473 752.5624 808.2221@14.023699 14.023699 808.2221 817.0477@13.159665 13.159665 817.0477 779.7844@13.238025 13.238025 779.7844 819.563@13.291906 13.291906 819.563 804.5478@13.825052 13.825052 804.5478 752.554@13.362468 13.362468 752.554 815.5899@13.624192 13.624192 815.5899 733.5642@13.362727 13.362727 733.5642 354.3125@13.5527525 13.5527525 354.3125 783.3289@13.692389 13.692389 783.3289 806.0639@13.688902 13.688902 806.0639 897.5706@13.593358 13.593358 897.5706 889.6678@13.699557 13.699557 889.6678 782.2752@13.908943 13.908943 782.2752 817.0572@14.070678 14.070678 817.0572 730.577@13.353781 13.353781 730.577 408.3269@13.5414 13.5414 408.3269 875.5814@13.669811 13.669811 875.5814 644.4515@13.432929 13.432929 644.4515 444.3586@13.609411 13.609411 444.3586 789.0453@13.748372 13.748372 789.0453 907.5475@13.720452 13.720452 907.5475 363.3305@13.780631 13.780631 363.3305 765.5468@13.573843 13.573843 765.5468 875.5721@13.6539135 13.6539135 875.5721 510.4297@13.522724 13.522724 510.4297 784.231@14.02781 14.02781 784.231 784.3064@13.84317 13.84317 784.3064 897.5551@13.535324 13.535324 897.5551 789.5674@14.013112 14.013112 789.5674 811.2587@13.824869 13.824869 811.2587 492.3845@14.033075 14.033075 492.3845 875.5712@13.714618 13.714618 875.5712 788.1634@13.714618 13.714618 788.1634 603.4057@13.567038 13.567038 603.4057 656.5266@13.633598 13.633598 656.5266 583.4664@13.869957 13.869957 583.4664 538.4236@13.628192 13.628192 538.4236 790.1532@13.763185 13.763185 790.1532 919.6311@13.763185 13.763185 919.6311 798.0759@13.766221 13.766221 798.0759 875.5708@13.77634 13.77634 875.5708 363.3329@13.782546 13.782546 363.3329 716.5591@13.790506 13.790506 716.5591 834.0805@13.868659 13.868659 834.0805 509.4283@13.682649 13.682649 509.4283 897.5585@14.071022 14.071022 897.5585 942.5606@13.683174 13.683174 942.5606 816.0665@13.684684 13.684684 816.0665 833.0732@14.272289 14.272289 833.0732 800.5859@13.920044 13.920044 800.5859 433.3224@13.798561 13.798561 433.3224 875.5732@14.218859 14.218859 875.5732 832.0796@13.606084 13.606084 832.0796 488.3884@13.928724 13.928724 488.3884 299.2639@13.972676 13.972676 299.2639 554.4232@13.535658 13.535658 554.4232 452.3572@13.861764 13.861764 452.3572 669.5393@13.86765 13.86765 669.5393 363.3355@13.847475 13.847475 363.3355 860.65@13.975437 13.975437 860.65 947.7097@14.080993 14.080993 947.7097 749.5359@14.502956 14.502956 749.5359 466.3727@14.047971 14.047971 466.3727 778.0866@14.114403 14.114403 778.0866 495.4113@13.771207 13.771207 495.4113 900.5661@14.320927 14.320927 900.5661 859.633@13.710579 13.710579 859.633 947.7145@14.127565 14.127565 947.7145 871.5426@14.0456915 14.0456915 871.5426 843.0805@14.136678 14.136678 843.0805 816.0745@14.13769 14.13769 816.0745 820.5861@14.15389 14.15389 820.5861 947.7093@14.240166 14.240166 947.7093 597.4948@14.187732 14.187732 597.4948 806.2144@14.183016 14.183016 806.2144 183.0666@14.524578 14.524578 183.0666 861.6193@13.732753 13.732753 861.6193 757.9681@13.862043 13.862043 757.9681 366.2805@14.285267 14.285267 366.2805 820.592@14.215656 14.215656 820.592 781.5667@14.438925 14.438925 781.5667 851.7838@14.218694 14.218694 851.7838 708.5348@13.665657 13.665657 708.5348 843.6273@14.219525 14.219525 843.6273 705.5318@13.973289 13.973289 705.5318 732.8634@14.014465 14.014465 732.8634 866.6318@14.363103 14.363103 866.6318 899.7774@14.218817 14.218817 899.7774 436.3563@14.167141 14.167141 436.3563 719.5549@14.230845 14.230845 719.5549 875.5638@14.480297 14.480297 875.5638 699.5316@14.233884 14.233884 699.5316 553.4804@14.185039 14.185039 553.4804 827.5647@14.283992 14.283992 827.5647 815.604@13.819781 13.819781 815.604 582.4535@14.183672 14.183672 582.4535 834.2223@14.462883 14.462883 834.2223 871.5476@13.943581 13.943581 871.5476 995.3128@14.270601 14.270601 995.3128 947.712@14.280375 14.280375 947.712 815.0149@14.282494 14.282494 815.0149 733.5523@14.400377 14.400377 733.5523 801.574@14.139636 14.139636 801.574 719.5574@14.011946 14.011946 719.5574 652.4664@14.275024 14.275024 652.4664 901.7994@14.221447 14.221447 901.7994 741.569@14.295552 14.295552 741.569 825.5989@14.242516 14.242516 825.5989 714.5625@14.2867775 14.2867775 714.5625 831.2272@14.319965 14.319965 831.2272 690.9764@14.276592 14.276592 690.9764 837.0346@13.983326 13.983326 837.0346 801.5813@14.460114 14.460114 801.5813 922.2826@14.425514 14.425514 922.2826 881.742@14.176834 14.176834 881.742 995.3113@14.526604 14.526604 995.3113 527.4542@14.242801 14.242801 527.4542 615.5622@14.361492 14.361492 615.5622 406.3468@14.336949 14.336949 406.3468 876.7868@14.684959 14.684959 876.7868 384.2294@14.297028 14.297028 384.2294 641.5153@14.1925125 14.1925125 641.5153 647.4495@14.35473 14.35473 647.4495 646.9509@14.386814 14.386814 646.9509 857.5885@14.389853 14.389853 857.5885 216.0984@14.375912 14.375912 216.0984 789.5928@14.09542 14.09542 789.5928 871.5589@14.093604 14.093604 871.5589 697.4928@14.34567 14.34567 697.4928 760.0299@14.281266 14.281266 760.0299 574.476@14.294057 14.294057 574.476 608.377@14.433403 14.433403 608.377 194.1156@14.418215 14.418215 194.1156 117.1152@14.224984 14.224984 117.1152 875.567@14.625641 14.625641 875.567 553.4634@14.397792 14.397792 553.4634 865.5914@14.199692 14.199692 865.5914 867.634@14.279944 14.279944 867.634 479.4086@14.373664 14.373664 479.4086 980.5933@14.418038 14.418038 980.5933 733.2339@14.393611 14.393611 733.2339 624.231@14.484061 14.484061 624.231 491.3871@14.055496 14.055496 491.3871 713.5511@14.156045 14.156045 713.5511 745.5758@14.09361 14.09361 745.5758 614.5626@14.386017 14.386017 614.5626 764.8783@14.177015 14.177015 764.8783 745.5768@14.279066 14.279066 745.5768 983.5135@14.568142 14.568142 983.5135 907.5443@14.58197 14.58197 907.5443 769.0596@14.219232 14.219232 769.0596 763.9877@14.313504 14.313504 763.9877 683.5674@14.62197 14.62197 683.5674 750.9937@14.611724 14.611724 750.9937 951.5686@14.62287 14.62287 951.5686 806.2139@14.630977 14.630977 806.2139 968.6662@14.580012 14.580012 968.6662 995.5996@14.565646 14.565646 995.5996 924.6409@14.519169 14.519169 924.6409 735.5666@14.222459 14.222459 735.5666 762.9685@14.33895 14.33895 762.9685 766.1895@14.46062 14.46062 766.1895 880.6105@14.686665 14.686665 880.6105 951.5711@14.720158 14.720158 951.5711 916.5213@14.550844 14.550844 916.5213 827.5469@14.740427 14.740427 827.5469 791.0274@14.748536 14.748536 791.0274 871.6505@14.39798 14.39798 871.6505 735.5689@14.615627 14.615627 735.5689 713.5521@14.591602 14.591602 713.5521 758.1311@14.688695 14.688695 758.1311 753.5315@14.504637 14.504637 753.5315 808.0806@14.342092 14.342092 808.0806 719.571@14.352063 14.352063 719.571 838.6297@14.6273985 14.6273985 838.6297 795.583@14.507946 14.507946 795.583 859.6189@14.377894 14.377894 859.6189 769.0492@14.497817 14.497817 769.0492 771.8306@14.769821 14.769821 771.8306 592.5907@14.7728615 14.7728615 592.5907 757.8965@14.545221 14.545221 757.8965 586.6922@14.817461 14.817461 586.6922 584.5556@14.752176 14.752176 584.5556 667.5057@14.779946 14.779946 667.5057 299.1834@14.805655 14.805655 299.1834 758.1328@14.674101 14.674101 758.1328 847.535@14.543561 14.543561 847.535 696.5152@14.7540045 14.7540045 696.5152 717.5597@14.425553 14.425553 717.5597 117.1153@14.802536 14.802536 117.1153 917.5398@14.736536 14.736536 917.5398 851.5524@14.651061 14.651061 851.5524 791.5819@14.560774 14.560774 791.5819 761.3249@14.659391 14.659391 761.3249 859.6289@14.926947 14.926947 859.6289 675.5391@14.530443 14.530443 675.5391 717.5647@14.68024 14.68024 717.5647 753.5471@14.751469 14.751469 753.5471 818.6156@14.743578 14.743578 818.6156 750.5406@14.78093 14.78093 750.5406 875.7791@14.96446 14.96446 875.7791 741.5634@14.96446 14.96446 741.5634 856.5799@14.545392 14.545392 856.5799 983.5158@14.971558 14.971558 983.5158 99.1027@0.6557063 0.6557063 99.1027 138.9939@0.7682489 0.7682489 138.9939 238.0824@0.8283445 0.8283445 238.0824 507.8546@0.81267816 0.81267816 507.8546 155.0695@0.816391 0.816391 155.0695 619.7902@0.81917924 0.81917924 619.7902 441.8437@0.82074434 0.82074434 441.8437 675.7483@0.8201249 0.8201249 675.7483 483.8156@0.82364714 0.82364714 483.8156 388.0411@0.82301354 0.82301354 388.0411 789.6627@0.82635313 0.82635313 789.6627 913.5721@0.82700735 0.82700735 913.5721 597.7448@0.8284659 0.8284659 597.7448 543.7673@0.8278719 0.8278719 543.7673 667.7188@0.8277168 0.8277168 667.7188 779.6316@0.8285095 0.8285095 779.6316 835.5709@0.8334706 0.8334706 835.5709 841.5977@0.8296786 0.8296786 841.5977 797.6216@0.8290124 0.8290124 797.6216 901.5574@0.83302045 0.83302045 901.5574 275.8703@0.8295096 0.8295096 275.8703 391.7899@0.8317642 0.8317642 391.7899 831.5723@0.8322682 0.8322682 831.5723 893.5368@0.83290404 0.83290404 893.5368 182.1028@0.8320065 0.8320065 182.1028 889.5502@0.83626777 0.83626777 889.5502 939.5293@0.8330125 0.8330125 939.5293 933.505@0.8395338 0.8395338 933.505 727.6431@0.83401257 0.83401257 727.6431 731.6627@0.83449876 0.83449876 731.6627 699.6302@0.8327882 0.8327882 699.6302 927.5441@0.83755976 0.83755976 927.5441 813.5219@0.8372297 0.8372297 813.5219 945.4984@0.8368533 0.8368533 945.4984 871.5374@0.83601266 0.83601266 871.5374 837.5464@0.83635825 0.83635825 837.5464 809.5266@0.83616394 0.83616394 809.5266 757.606@0.83926845 0.83926845 757.606 723.6473@0.83751094 0.83751094 723.6473 911.486@0.83901274 0.83901274 911.486 905.5179@0.84001553 0.84001553 905.5179 929.4648@0.8420128 0.8420128 929.4648 188.1444@0.8616522 0.8616522 188.1444 127.0588@0.8650253 0.8650253 127.0588 922.0037@0.77853125 0.77853125 922.0037 120.137@0.8188957 0.8188957 120.137 203.2515@0.8730139 0.8730139 203.2515 175.1104@0.8746315 0.8746315 175.1104 434.1018@0.8872246 0.8872246 434.1018 272.0487@0.8857579 0.8857579 272.0487 335.1555@0.8862682 0.8862682 335.1555 Desethylchloroquine 262.1385@0.94076216 0.94076216 262.1385 621.0197@1.0176827 1.0176827 621.0197 198.1098@1.0021461 1.0021461 198.1098 923.0077@1.0118229 1.0118229 923.0077 218.0101@1.2080297 1.2080297 218.0101 141.0786@1.2235765 1.2235765 141.0786 111.0448@1.2475451 1.2475451 111.0448 151.0524@1.2297425 1.2297425 151.0524 923.0046@1.2737781 1.2737781 923.0046 164.0476@1.6860535 1.6860535 164.0476 842.9888@1.7700771 1.7700771 842.9888 225.0373@1.7349899 1.7349899 225.0373 822.0083@1.7750776 1.7750776 822.0083 122.0481@2.1274514 2.1274514 122.0481 230.0755@2.1474817 2.1474817 230.0755 921.6366@2.1458066 2.1458066 921.6366 418.3067@2.3016732 2.3016732 418.3067 344.1223@2.8599482 2.8599482 344.1223 327.094@2.8599381 2.8599381 327.094 349.0762@2.8594754 2.8594754 349.0762 267.0958@2.9018645 2.9018645 267.0958 231.0189@3.133237 3.133237 231.0189 982.2631@3.160793 3.160793 982.2631 573.2175@3.1605554 3.1605554 573.2175 687.6941@3.1607413 3.1607413 687.6941 789.2262@3.1616395 3.1616395 789.2262 926.228@3.159358 3.159358 926.228 136.0609@3.1626217 3.1626217 136.0609 234.0732@3.3498611 3.3498611 234.0732 202.0959@3.3841143 3.3841143 202.0959 261.1558@3.4854133 3.4854133 261.1558 324.1082@3.5392983 3.5392983 324.1082 293.0883@3.5401323 3.5401323 293.0883 703.1742@3.6265953 3.6265953 703.1742 914.2373@3.6309836 3.6309836 914.2373 692.1798@3.626814 3.626814 692.1798 666.1946@3.627813 3.627813 666.1946 209.1499@3.713155 3.713155 209.1499 484.3477@3.7212338 3.7212338 484.3477 282.1515@4.1297493 4.1297493 282.1515 276.0941@4.1917 4.1917 276.0941 216.065@4.1907563 4.1907563 216.065 182.0944@4.2737627 4.2737627 182.0944 315.2035@4.3989305 4.3989305 315.2035 294.1087@4.7885895 4.7885895 294.1087 230.0009@4.8951488 4.8951488 230.0009 352.15@4.956607 4.956607 352.15 180.1041@5.3515344 5.3515344 180.1041 266.1133@5.394586 5.394586 266.1133 272.1524@5.521417 5.521417 272.1524 584.2628@5.8807793 5.8807793 584.2628 259.1264@5.9801245 5.9801245 259.1264 364.2157@6.0862336 6.0862336 364.2157 455.2519@6.1883416 6.1883416 455.2519 364.2172@6.244403 6.244403 364.2172 308.207@6.213101 6.213101 308.207 608.3301@6.348519 6.348519 608.3301 317.184@6.5920086 6.5920086 317.184 129.0642@6.695246 6.695246 129.0642 442.2102@6.7163773 6.7163773 442.2102 534.0265@6.7456965 6.7456965 534.0265 122.0716@7.215749 7.215749 122.0716 301.2331@7.3459578 7.3459578 301.2331 197.1749@7.3473334 7.3473334 197.1749 344.1286@7.40441 7.40441 344.1286 632.3018@7.478024 7.478024 632.3018 627.3415@7.4762754 7.4762754 627.3415 388.1548@7.5118623 7.5118623 388.1548 325.2043@7.576662 7.576662 325.2043 251.1666@7.5771627 7.5771627 251.1666 585.3684@7.5662203 7.5662203 585.3684 294.1796@7.5827346 7.5827346 294.1796 629.3938@7.619135 7.619135 629.3938 293.177@7.7542567 7.7542567 293.177 339.2194@7.7247543 7.7247543 339.2194 307.1935@7.7392616 7.7392616 307.1935 355.2143@7.874851 7.874851 355.2143 331.1755@7.9691687 7.9691687 331.1755 653.361@7.9848585 7.9848585 653.361 349.1692@8.104071 8.104071 349.1692 275.3268@8.276099 8.276099 275.3268 738.9545@8.28841 8.28841 738.9545 655.3782@8.29442 8.29442 655.3782 889.1285@8.304467 8.304467 889.1285 987.7038@8.314265 8.314265 987.7038 881.2297@8.344399 8.344399 881.2297 806.0061@8.314459 8.314459 806.0061 794.3011@8.405235 8.405235 794.3011 789.6633@8.345804 8.345804 789.6633 986.5914@8.341511 8.341511 986.5914 806.1339@8.30814 8.30814 806.1339 921.001@8.347551 8.347551 921.001 967.5958@8.338471 8.338471 967.5958 971.1429@8.351128 8.351128 971.1429 979.3855@8.354535 8.354535 979.3855 881.2358@8.341184 8.341184 881.2358 454.1902@8.35547 8.35547 454.1902 876.1217@8.361548 8.361548 876.1217 797.4938@8.647937 8.647937 797.4938 316.1849@8.377579 8.377579 316.1849 969.3593@8.402842 8.402842 969.3593 964.5826@8.385594 8.385594 964.5826 868.6173@8.39862 8.39862 868.6173 331.1609@8.429693 8.429693 331.1609 876.1196@8.410643 8.410643 876.1196 964.6974@8.382484 8.382484 964.6974 881.3515@8.442705 8.442705 881.3515 871.434@8.499216 8.499216 871.434 966.0523@8.581768 8.581768 966.0523 869.3484@8.51685 8.51685 869.3484 918.2336@8.801977 8.801977 918.2336 961.7108@8.848316 8.848316 961.7108 871.2182@8.588995 8.588995 871.2182 858.9344@8.842621 8.842621 858.9344 823.556@8.801494 8.801494 823.556 915.0527@8.7172575 8.7172575 915.0527 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12.331636 730.5968 817.0544@12.453349 12.453349 817.0544 320.2577@12.480041 12.480041 320.2577 845.6431@12.502057 12.502057 845.6431 487.3406@12.478047 12.478047 487.3406 784.9707@12.4988 12.4988 784.9707 546.0642@12.513863 12.513863 546.0642 546.7181@12.515871 12.515871 546.7181 688.4974@12.451311 12.451311 688.4974 796.5854@12.310745 12.310745 796.5854 805.8807@12.665899 12.665899 805.8807 820.5431@12.556039 12.556039 820.5431 731.5875@12.591964 12.591964 731.5875 803.8734@12.583595 12.583595 803.8734 785.1507@12.58717 12.58717 785.1507 861.5052@12.671114 12.671114 861.5052 382.2578@12.581347 12.581347 382.2578 831.2192@12.611271 12.611271 831.2192 832.5812@12.335788 12.335788 832.5812 768.5835@12.767714 12.767714 768.5835 811.9259@12.972657 12.972657 811.9259 613.4774@12.322146 12.322146 613.4774 784.3817@12.670523 12.670523 784.3817 614.4561@13.276335 13.276335 614.4561 696.6496@12.701201 12.701201 696.6496 730.5921@12.704483 12.704483 730.5921 842.6166@12.67337 12.67337 842.6166 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404.2656 765.5393@13.027057 13.027057 765.5393 688.5512@13.125528 13.125528 688.5512 604.5399@13.100496 13.100496 604.5399 783.2998@13.225419 13.225419 783.2998 807.5786@13.125441 13.125441 807.5786 835.6089@13.36945 13.36945 835.6089 559.3737@13.1365795 13.1365795 559.3737 810.6026@12.928511 12.928511 810.6026 818.0644@13.231275 13.231275 818.0644 804.5472@12.8618965 12.8618965 804.5472 742.5695@13.272995 13.272995 742.5695 834.0017@13.592786 13.592786 834.0017 765.54@13.104691 13.104691 765.54 788.611@13.22214 13.22214 788.611 832.0781@13.004994 13.004994 832.0781 967.5494@13.102826 13.102826 967.5494 430.3455@13.290118 13.290118 430.3455 377.2925@13.164672 13.164672 377.2925 386.316@13.180782 13.180782 386.316 355.3075@13.220622 13.220622 355.3075 553.4133@13.478981 13.478981 553.4133 730.5909@13.23719 13.23719 730.5909 761.5857@13.4415455 13.4415455 761.5857 576.4917@13.089147 13.089147 576.4917 845.5606@13.121773 13.121773 845.5606 338.3357@13.092595 13.092595 338.3357 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413.2466 886.8322@8.314092 8.314092 886.8322 985.3744@8.328598 8.328598 985.3744 881.5259@8.312048 8.312048 881.5259 801.1168@8.323521 8.323521 801.1168 803.302@8.314044 8.314044 803.302 965.0272@8.324025 8.324025 965.0272 983.7063@8.327333 8.327333 983.7063 985.1089@8.331013 8.331013 985.1089 549.3064@8.34034 8.34034 549.3064 571.2871@8.337001 8.337001 571.2871 964.5355@8.365207 8.365207 964.5355 965.1435@8.376052 8.376052 965.1435 985.2581@8.362952 8.362952 985.2581 793.1232@8.362952 8.362952 793.1232 611.2879@8.37992 8.37992 611.2879 589.3008@8.38591 8.38591 589.3008 965.0328@8.407867 8.407867 965.0328 965.7145@8.316352 8.316352 965.7145 571.2869@8.438808 8.438808 571.2869 549.3072@8.445795 8.445795 549.3072 966.7807@8.586206 8.586206 966.7807 549.3048@8.483721 8.483721 549.3048 276.1464@8.511666 8.511666 276.1464 915.8512@8.562566 8.562566 915.8512 555.2943@8.573544 8.573544 555.2943 965.8158@8.520124 8.520124 965.8158 965.5524@8.5955 8.5955 965.5524 952.7068@8.804734 8.804734 952.7068 390.2701@8.613522 8.613522 390.2701 838.5549@8.621098 8.621098 838.5549 372.265@8.621094 8.621094 372.265 528.3241@8.627436 8.627436 528.3241 550.3053@8.627094 8.627094 550.3053 571.2883@8.637415 8.637415 571.2883 555.2937@8.643402 8.643402 555.2937 533.3096@8.644401 8.644401 533.3096 309.1938@8.658869 8.658869 309.1938 858.9545@8.664359 8.664359 858.9545 873.927@8.838787 8.838787 873.927 271.1544@8.707696 8.707696 271.1544 901.3101@8.71326 8.71326 901.3101 868.9727@8.900296 8.900296 868.9727 555.2927@8.7242365 8.7242365 555.2927 533.3123@8.725233 8.725233 533.3123 902.7255@8.899345 8.899345 902.7255 896.0039@8.82226 8.82226 896.0039 533.3113@8.822029 8.822029 533.3113 555.2918@8.825023 8.825023 555.2918 911.6199@8.84498 8.84498 911.6199 822.5585@8.8036175 8.8036175 822.5585 871.0475@8.856955 8.856955 871.0475 823.7865@9.0239 9.0239 823.7865 901.3924@9.040255 9.040255 901.3924 909.1216@8.9152565 8.9152565 909.1216 912.4011@8.897385 8.897385 912.4011 533.3109@8.886889 8.886889 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