Compound nC18-16mar16-001-r001 nC18-16mar16-002-r001 nC18-16mar16-004-r001 nC18-16mar16-005-r001 nC18-16mar16-006 nC18-16mar16-007 nC18-16mar16-008 nC18-16mar16-009 nC18-16mar16-010 nC18-16mar16-012 nC18-16mar16-013 nC18-16mar16-014 nC18-16mar16-015 nC18-16mar16-016 nC18-16mar16-019 nC18-16mar16-021 nC18-16mar16-022 Sulfuric acid 2.02E+07 438760 2.99E+07 3.30E+07 3.69E+07 3.19E+07 1.85E+07 2.27E+07 2.07E+07 4.06E+07 2.00E+07 3.28E+07 2.30E+07 1.86E+07 2.28E+07 403026 2.08E+07 Citric acid 1.56E+07 34218 2.10E+07 3.66E+07 2.60E+07 3.94E+07 9813757 7597047 1.03E+07 4.14E+07 1.97E+07 3.38E+07 2.75E+07 1.23E+07 2.50E+07 38209 2.42E+07 Phosphoric acid 4373580 1096181 1.56E+07 1.30E+07 1.31E+07 1.02E+07 3396430 3741940 3615735 1.11E+07 3763584 1.15E+07 8538729 2269710 3555112 1061226 4311331 "PS(21:0/18:3(6Z,9Z,12Z))" 1 1801414 9695072 1822343 1 1.93E+07 1.55E+07 7705520 3585773 5472404 1.60E+07 1 9364283 1 1 1.31E+07 1 C3 H2 N O5 S2 8069165 1 1.33E+07 1.49E+07 1.68E+07 1.52E+07 6842341 8488575 8410627 1.98E+07 8566367 1.46E+07 1.04E+07 8203249 9667589 1 8719484 "1,1-Dichloroethane" 656463 457393 4.50E+07 4.95E+07 5.61E+07 1867202 532192 816717 715196 3083576 763881 1870445 794291 706611 946632 456717 695265 C46 H50 N6 S2 117663 1 1.13E+07 1860053 1503035 5450306 8974363 1073680 2453172 949467 1.12E+07 60132 2874880 8504 3430968 23498 221646 "PI(18:1(9Z)/20:3(5Z,8Z,11Z))" 585397 792307 1597115 570151 918912 6103204 5013779 2679333 1507087 1181576 6851303 990935 1404137 48251 694645 5297231 835808 edetate 136482 7468 2047402 1.95E+07 4878428 2.31E+07 135888 88279 149533 2.49E+07 619746 8181732 2405902 261104 999163 11864 1267302 C6 H2 O3 S3 2593613 1 6147300 7628740 9170003 8121918 2111425 3466512 2890664 1.16E+07 2685255 8411061 3629049 2433790 3872242 1 2711516 "PE(18:1(11Z)/18:3(6Z,9Z,12Z))" 116939 169786 1 170930 100163 2434532 1871123 1327306 214535 292565 1378637 298664 665329 1 226417 1038584 264405 3-Furoic acid 1473740 1 2571446 7117464 3644686 7813559 784142 534810 822429 7770660 2091173 5397445 3715802 1046464 3145522 8454 2922619 "PE(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))" 141289 322046 834419 202098 227454 1749553 1911826 727389 372055 760600 1717792 402509 920322 1 320701 1992019 350479 79.9663@0.8310001 1711857 304113 6809864 5896889 6375571 4981282 1191753 1531448 1296156 4744226 1462441 4912268 3186885 1133298 1428344 325605 1740242 "PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)" 349081 530117 327402 53109 112739 932013 995047 640866 282766 260554 1135783 199530 269172 66359 175964 524861 198200 561607 23423 1960657 2791704 3469933 3072591 422144 847013 659735 4525514 603328 3467806 973098 545110 990615 22095 610840 C21 H22 N15 O S 39080 1 2526224 676655 460434 1463856 2061172 265696 644329 264272 3278021 16244 837329 1 848393 13937 85004 C31 H19 N8 O27 S 1 1 600862 1 111757 1 1 479339 163551 1 1 1 1 1 1 1499999 146361 Fexofenadine 169849 514948 234466 316333 439614 1263040 1217108 809795 655857 276219 1308472 186152 125311 43573 120175 4240243 219892 C29 H66 N25 O4 291124 550891 1 607153 670662 1 1 2572815 1197154 1700230 5358245 1 3123607 1 1573601 4521970 1 C47 H71 N3 O7 40100 27940 204484 20478 31333 200447 355341 124847 143405 113497 374807 70866 149332 1 82796 527703 84314 L-Lactic acid 1744854 2075877 718835 977506 1755890 368727 1243568 1095306 1200518 408378 607604 666286 804108 1192533 677028 3557676 1020861 Phosphoric acid nullnullnull0.835 4373580 1096181 1.56E+07 1.30E+07 1.31E+07 1.02E+07 3395584 3741940 3623742 1.11E+07 3763584 1.15E+07 8537961 2269710 3554146 1160268 4402690 C31 H19 N8 O27 S nullnullnull7.042 1 1 527910 1 1 1343617 231919 751809 1 1275019 1 297131 169197 1293979 1 1 1 C12 H12 N3 O13 402262 1 765261 2394196 1156844 2832494 183432 108123 189275 2820774 637914 2048618 1337631 272840 1180195 1 1064140 nullnullnull0.78899986 1318117 31049 2565966 2756768 3175235 2677873 1024545 1421997 1298434 3497476 1300359 2637633 1703321 1210739 1517397 33733 1313745 nullnullnull0.7989999 178237 1 1076943 1667674 2173878 1838738 166863 420502 286862 2805278 279143 2295645 486571 238344 498464 1 264412 C47 H71 O8 76267 38413 166446 50048 35652 547074 356833 295142 125532 72088 547964 76906 126257 1 81932 267686 85097 Acetylenedicarboxylate 247359 1750590 1 1 1 1 518544 349229 758035 1 142491 1 930288 1549070 556225 1819616 2233050 C12 H14 N O7 S 1717892 54317 1233846 2336280 2146465 1667996 595920 407649 721816 1740035 555059 1926028 1470859 424332 1017132 64119 891837 C17 H3 N3 O6 227132 10867 918492 1702597 1063580 1705971 169292 108649 207015 1963074 484034 1517578 819752 322198 583729 15337 675220 C31 H19 N8 O27 S nullnullnull3.299 1249993 2155822 1 1 1 1025191 1 784011 1 1 1 1 1 2996459 102307 1 219733 C4 H2 O4 933583 1988247 200820 1707049 1 1 1594402 924064 1541488 1 983628 1750549 902578 1545025 1045193 2324530 876432 trans-Aconitate 347519 1 809139 1605658 901912 2066617 336371 228717 326122 1735424 825231 1158002 1107664 278317 1044373 1 661510 C37 H49 N O3 S 9174 1 1469714 220637 246444 750377 1282807 185452 299393 57966 1880403 1 417896 1 572529 1 15536 C3 H2 O6 S2 742211 1 1281250 1384639 1578536 1434978 645521 862903 785627 1928229 746435 1309081 914803 687636 917000 1 769361 C36 H27 N4 O3 S 33139 1 1297464 455499 318720 864756 1153185 209887 459404 216856 1690042 15331 560623 1 543266 11561 70189 269.8083@0.8389998 1278824 1870516 168536 139939 113310 140046 1646841 1519723 1662446 74146 1551031 399064 843430 1757457 1378342 1851225 1264607 C31 H43 O7 91491 277579 252978 86870 87443 558407 725541 402616 180061 150966 856746 129480 207422 33348 96658 636777 108345 nullnullnull0.8310001 1224902 318506 1802796 1315468 1331445 1170554 944660 1144958 992348 862245 1002177 1729738 1648118 847112 1076466 292673 1196052 C38 H51 N O3 S 11358 1 1570122 165662 136543 597403 1067844 91061 244458 81522 1463705 1 255503 1 352765 1 21333 C18 H3 Cl3 N O5 S5 129661 23674 582216 918134 1187942 991202 81379 235467 164990 1579049 148908 1356588 240977 130958 288699 26802 144082 PE(19:0/0:0) 21554 57200 145526 64495 39454 393067 216520 105558 69509 131517 309232 32318 121182 8847 104587 301475 40231 "PE(22:4(7Z,10Z,13Z,16Z)/0:0)" 53714 434403 213749 78987 198020 388455 371501 410269 373547 328140 298030 80888 138950 13146 122863 935011 123391 nullnullnull0.82200015 1294316 2700745 348906 336654 304778 217643 1311889 1257046 1649960 287967 1366260 480384 720474 1802714 1307374 2779373 1063662 103.964@0.82200015 1298524 2695055 353315 203628 317499 219481 1294448 1247205 1653388 336724 1366594 480323 721689 1799620 1303140 2783036 1051722 C43 H76 N5 O8 S 23264 51157 125504 75247 29039 596545 341130 235446 38929 68862 403105 104175 177033 1 29504 661432 27155 nullnullnull0.8599999 491981 1 653336 645675 905480 662353 542714 352430 331787 998038 629024 1090033 573844 519262 559452 184943 506955 806.9912@2.8080003 1626840 1 1 1 1 467325 1 509121 1 1 582933 1 215757 1 61492 1 1 C46 H59 N O3 S 1 1 851588 135567 134377 468723 917768 109336 179419 22527 1240370 1 326933 1 216935 1 1 967.0077@14.755 1 1 1 1 653117 1 1 899136 636775 1 1 1 1 59165 1 1 1 271.8054@0.8389998 860867 1190627 121420 84311 71963 92926 1061365 984029 1106031 46385 946996 247497 513206 1058464 891797 1149616 802264 C48 H75 N6 O10 82056 299760 1584586 184360 202374 2906074 2310934 1273274 435079 880188 2454605 1 1435248 1 551924 2038263 1 13C6-phe 813073 948837 1082314 1010199 985783 889671 890145 867372 768345 848261 921684 869552 1085526 958485 1027836 1120832 995675 5-Fluoromuconolactone 1097558 925697 528822 678908 667917 526980 548778 571885 510151 461826 334938 462925 512883 374566 558086 815379 491377 edetate nullnullnull0.86199987 136482 7468 2047402 1.95E+07 4878428 2.31E+07 135888 88279 149533 2.49E+07 619746 8181732 2405902 261104 993842 11864 1267141 Aspulvinone H 107440 117120 863271 112045 130319 127386 158405 129262 141745 149733 126254 127127 202103 580107 125029 281141 131721 Phytuberin 883355 921660 890635 890341 903553 888029 832911 862557 843010 903904 907117 918314 941427 933356 945015 944717 945378 "PS(21:0/18:3(6Z,9Z,12Z)) nullnullnull16.899" 812975 1739478 1 1880423 1989515 1 1 7784883 3609494 5268652 1 2344790 9427296 1 4827409 1.31E+07 2410177 Ser-Ser-OH 41315 1 171995 835409 241855 996303 41185 28897 54966 811484 173760 673282 405561 89164 280451 1 306374 Arsonoacetate 215556 1 534714 710953 856818 758202 189064 279321 229763 1024810 230217 789786 339629 228721 337566 1 247634 C31 H19 N8 O27 S nullnullnull8.304 1 594155 1 861740 1376757 1 171711 728052 1 1 490824 302031 159081 1 145719 1 1 C38 H49 N O4 S 1 1 748724 81642 73864 325911 397258 34996 111691 39444 912819 1 108958 1 128744 1 11662 Acetylenedicarboxylate nullnullnull0.71100014 916781 1995112 1907961 1765835 1839024 1765128 1516130 892948 1514199 1884022 1394029 1806561 930288 1247577 709525 2342136 1017538 "PE(22:4(7Z,10Z,13Z,16Z)/0:0) nullnullnull11.606002" 52996 95142 142905 84411 50674 272870 435883 287701 31181 55264 928056 79631 45285 1 56569 375073 103363 239.9062@0.8059998 425528 37923 421326 386473 354305 400964 337217 542341 482324 332746 425544 811780 516567 455068 621191 37791 430302 "PE(P-18:0/18:4(6Z,9Z,12Z,15Z))" 45911 74326 165670 292879 263167 1685184 1001059 396760 290768 145953 819209 114284 103735 1 61159 1872553 58418 nullnullnull0.8009999 54067 1 303963 480890 613749 534506 35428 115691 72279 807397 60929 858022 132035 55574 160123 1 68509 "PE(16:1(9Z)/20:3(5Z,8Z,11Z))" 117828 170630 620671 175070 99872 2414835 1863190 1325092 214535 290418 1370294 303426 660975 1 225503 1048913 267441 C23 H29 O9 122146 135751 712190 124254 153176 142683 174474 152240 159892 176808 147778 152932 234967 582024 151112 315154 151870 967.0077@4.9179997 1 687747 1 1 2459387 1149247 453469 532853 1 1 1 1 1 1 412715 1 1 Pyrophosphate 96363 11689 839510 718928 785018 522534 55308 73892 68596 320627 58617 524627 217832 69518 72775 12838 83381 C23 H27 N7 O17 635380 646418 788612 645160 676323 707859 819204 665550 677527 610098 676172 507640 723852 554050 817496 566199 771099 PS(19:1(9Z)/18:0) 615543 585654 1 1197548 938389 1 1 2061568 2442462 2455726 1 849000 3868675 1 1579959 1 1 202.0455@1.2450001 189601 688752 90388 28446 119465 1 164405 144996 147298 1 33274 13031 23711 82414 21416 724001 46317 60.0215@1.006 1 1 1269719 1460861 1862994 1187711 1251940 2282123 7217330 1403791 1457317 1509416 1 2856475 1265721 2159082 1419833 Isocitric acid 1.56E+07 34218 2.10E+07 3.66E+07 2.60E+07 3.94E+07 9809725 7596807 1.03E+07 4.14E+07 1.97E+07 3.38E+07 2.75E+07 1.23E+07 2.50E+07 38209 2.42E+07 C34 H66 N2 O6 1 16737 27028 10417 20497 145552 98334 34781 101601 73681 142946 1 37888 1 1 789823 12243 1613.9791@2.813 930433 1 1 24052 1 263417 1 231428 1 208797 1 1 1 1 1 190060 12115 "PI(18:1(9Z)/20:3(5Z,8Z,11Z)) nullnullnull16.168" 586621 792307 1 570151 918912 6101096 5013779 2678553 1507691 1179432 6850603 990935 1405073 48251 698913 5298456 835808 nullnullnull0.8389998 780734 1103623 114580 80651 66596 83230 945669 900396 1004066 41613 857219 222586 471635 948521 801494 1051204 730597 806.991@11.0390005 1 1 52819 27614 1 174523 104228 224426 1 1 309408 1 1 334775 1 1 1 153.8907@0.8389998 556380 534581 193211 160486 154356 171286 609089 581526 594461 120975 598955 304180 472154 639119 568434 527958 559815 159.0196@0.89599997 815243 701517 418758 567686 561187 486209 408651 415974 385144 398993 281531 401009 433244 286151 435090 637675 372161 Americine 1 1 715665 76599 47547 227572 382812 34644 109583 43800 558038 1 114126 1 135663 1 10529 C3 H4 N O3 S2 687668 371060 175833 1 1 164668 599303 655955 695682 30168 586990 1 498516 758088 624840 386951 579533 C25 H46 N7 O3 1 1 1634127 1 1 1474158 2584111 1124860 1 1 1627420 1 1380832 1 1 2379382 1 C27 H37 N15 O8 91903 63955 292643 186113 180052 493943 493742 300504 208722 109607 599720 287006 278266 61505 218283 520749 236286 967.0076@7.215 1 541262 1239975 1 1 996701 1 786860 479703 1 1 1 1 77210 1 1 1 > limit 180891 36982 455301 383131 348894 562307 393834 280529 271413 211699 545437 297270 433200 36329 179461 187237 246939 967.0077@11.569 1 1 206775 323274 1 1995771 1 637683 1 147967 1 1 1 1 1 99107 1 C28 H38 N14 O7 119300 76287 321353 202263 197698 514853 521416 296739 207874 115691 597917 275531 279406 69329 219497 492442 232916 C10 H8 N3 O S 36186 283943 23062 39463 24557 51532 12989 15343 11198 40007 7335 44098 18908 7899 13708 701975 11643 C7 H Cl S5 89270 722040 1 1 1 1 129952 111148 187428 1 110708 1 24723 209016 106861 706441 57621 105.9614@0.82200015 501933 878172 123945 72112 97608 104372 507259 531293 648247 118513 520036 155193 270423 645139 498304 893701 368153 235.877@0.8290001 626734 171377 220779 176467 166190 181480 533781 622012 602164 147506 551270 344975 512224 575148 581902 169634 536933 C25 H56 N28 57490 34205 1 18695 41998 600070 357445 174877 54493 68230 422185 63943 130035 1 59837 122877 32982 C28 H9 N9 O21 393020 273856 1 58362 631194 1 126526 204529 278771 142942 26383 43036 413002 489203 15379 44614 209702 1-Hydroxy-2-naphthoic acid 215442 167558 97002 55261 192540 1 168545 137423 148505 1 55420 31000 65059 134772 61150 384579 117357 C48 H78 N O11 1 1 889270 1 1 1439197 1301029 662009 1 1 1294671 1 841434 1 1 1102358 1 214.0088@1.219 293922 1 360555 494284 420904 525792 188116 156649 203916 542667 379423 495033 451877 248042 434696 1 410774 GalCer(d18:0/20:0) 31747 1 188400 285923 356496 310260 18694 71576 44041 459193 31402 570137 78645 34392 102206 1 41870 404.3136@13.708002 203845 114576 289335 274704 234581 348321 346029 223003 178322 121947 521797 239167 282904 99144 282808 401578 290986 C5 H2 S3 403057 94541 567742 463718 473970 426823 313317 375480 309469 319506 353981 595659 590192 309400 362263 103617 417525 Mesaconic acid 83911 1 271566 382930 264428 593480 123685 83733 119734 446431 298921 266858 334228 69637 330386 1 152469 339.8649@0.80399996 107592 49403 291699 388526 486730 414165 82150 148568 122072 611434 116186 482449 172104 103899 184776 43746 105938 C4 H2 Cl2 N O S2 432282 82598 410513 321402 307825 299432 371629 430428 340755 201319 410415 535579 620577 319360 418436 84219 495861 C8 H6 Cl2 N2 S5 159760 51210 263967 226183 196921 231332 137094 250170 209527 159779 176154 467859 266982 184575 278609 55194 183891 C31 H19 N8 O27 S nullnullnull8.023001 1190164 436021 1 268696 612763 1 1 369676 1 1 312770 269912 36726 1 1 128247 217130 806.9904@7.22 1 192088 1 1 1 58616 1 142833 1 1140279 1 1 1 1197127 1 1 1 "PE(20:2(11Z,14Z)/0:0)" 30976 126172 55496 31930 33864 113431 186005 71689 80277 90998 169411 19919 64916 1 38536 165560 24651 237.8721@0.8269999 546387 555360 172943 126621 114342 133240 476703 529958 546857 89156 490385 254577 420197 537011 508098 583405 460930 3-Hydroxypropenoate 114883 7785 176432 510645 255253 565298 73065 50684 69992 564531 141676 378465 262711 87960 229419 12487 214905 C5 H Cl3 O3 S2 143238 655743 10823 6374 1 6064 147462 155117 192602 1 140319 27364 73767 221347 130430 659029 98272 327.7671@0.8389998 405359 477191 42826 32183 23115 32326 485831 467315 512445 16128 457482 104153 225469 526630 431653 477117 366761 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) 39598 27559 10237 1 1 1 1 717430 142031 1 1 116261 1 50897 1 136526 1 C25 H46 N7 O3 nullnullnull16.168 17394 31411 134665 1 32895 1130703 877733 174290 72636 53452 930213 27351 64092 1 24275 635376 1 C28 H9 N9 O21 nullnullnull9.625 1 1 559147 136494 1 202007 1 313330 1 1 1 227324 1 1 1 226815 31545 C25 H46 N7 O3 nullnullnull16.895998 58976 133622 1 109708 197913 1 1 1124860 416032 691279 1 173990 1139891 1 438628 1 153313 C29 H15 N2 O26 122167 1 123333 1 1 1 1 216642 1 1 1 1 1 1 1 1 277146 C49 H80 N2 O12 81923 56387 1 45532 95050 147674 290585 135546 55274 206610 590188 167137 181141 1 1 683849 1 C9 H7 Cl3 O7 S4 52757 1 227174 318580 399636 341056 37973 90781 64310 524150 59191 423444 104674 55960 115727 1 66301 C25 H58 N28 O 42072 1 1 57889 69122 639477 625834 254154 106729 248738 575786 126449 307025 1 99741 693328 105778 nullnullnull0.82199997 76868 478786 1 1 1 1 101051 91074 128086 1 90460 1 22602 160398 81578 485557 51605 Neoilludin A 352125 413744 352205 384213 374366 405111 575758 439707 305463 435410 460289 413129 558888 236304 359113 441537 522131 1613.981@3.236 226671 1 1 1 1 420265 41946 193273 1 1 10366 152586 19573 1 1 1 1 C30 H17 N6 O29 S 638076 1 1 21363 1 55906 1 340430 1 66298 98029 1 63660 11763 1 90690 1 806.9899@11.465 1 1 1 1 1 1 574289 80726 1 1 1 79350 1 1 1 288601 76601 C41 H46 N2 O4 S2 1 1 156713 27867 22275 173870 325822 13534 29833 1 437001 1 68539 1 261110 1 1 C52 H75 N4 O6 1 1 190278 49690 175353 611618 468207 61007 137745 98095 358187 1 149188 1 116339 700836 1 Tropolone 144888 518227 210442 124426 195328 336500 331578 154982 170426 402651 175514 187259 302731 116747 149364 409326 89716 215.891@0.8339999 347536 49899 327307 217589 223506 225740 273505 324434 264421 140464 290749 387759 445899 229063 316641 50494 363762 > limit nullnullnull0.7810001 133803 1 165529 115907 444734 126886 111134 102753 139229 165449 125700 146851 142935 142962 146900 1 125542 C29 H15 N2 O26 nullnullnull4.718 611567 1 346071 225150 1 169136 1 106292 1 1 22358 1 1007351 1 1 725106 1 C24 H45 N5 O7 316108 318705 491234 325340 311272 347779 291420 277119 288266 299867 321433 292968 325007 306464 349438 354459 344375 C49 H76 N2 O12 29249 57022 111977 45281 68837 517601 344544 160526 93330 180491 428863 82777 75209 1 12018 859176 54209 255.9313@0.809 409280 227220 25651 1 1 1 358160 439725 484138 1 390410 42002 217667 474159 445130 227157 302553 561.5981@0.8389998 194413 460152 6767 1 1 5637 257993 226120 299907 1 236428 25068 78092 320360 205173 450464 155531 "PS(19:0/22:4(7Z,10Z,13Z,16Z))" 231612 550280 1 237086 607610 1 1 782716 1058417 1444441 1 387187 1479995 1 885726 3750076 415379 329.764@0.8389998 345262 414984 35082 25912 18344 26835 413121 396760 444382 12674 385220 87306 196710 455663 368924 406420 320963 830.5849@17.69 1 1 1 1 1 1 1 35806 299556 102666 1 1 122571 1 56753 1 1 C3 H4 N2 O5 S 71789 890841 1 112412 111096 102667 85451 72779 251819 33054 83885 58054 27611 140122 83357 646623 65970 nullnullnull0.78699994 145323 1 341068 407580 489355 434506 122129 176222 158398 572093 146791 378357 204776 134921 208455 1 164263 C3 H4 N O3 S2 nullnullnull0.7930001 182402 14666 301117 314637 335726 350011 281790 443193 325838 358451 212379 478762 378741 278298 297618 19138 279189 C10 H5 Cl O8 77673 474316 9562 1 1 1 104391 93533 139765 1 90254 9979 36123 153394 73542 477027 54461 C9 H2 N2 O5 S 128317 509386 1 1 127569 1 166983 138718 180429 1 148641 1 50132 218150 110613 460242 94961 105.9639@0.809 1018387 893764 423253 344205 375565 470234 841834 1033879 1043373 544863 1050456 729800 702458 1000999 1176061 895809 712981 PE(19:0/0:0) nullnullnull11.329 1 74066 49174 10570 1 85497 114943 62620 42159 38424 116323 20397 31232 1 14991 138621 25324 4-Hydroxyethinylestradiol 408349 389585 415617 436123 384642 385994 382446 357887 348212 371886 416067 403870 285718 296482 440349 466205 312397 C31 H19 N8 O27 S nullnullnull11.336167 2974063 27974 660715 506242 127782 1 264374 1871252 209195 193250 67481 231441 36161 1 1 1 1 Sulfuric acid nullnullnull0.91600007 550048 1 1 1 1894155 1739346 375702 402833 696313 3100568 665019 1601178 687451 313920 779566 1 614147 806.9916@13.721 1 1 1 1 1 1 153438 116902 1 1 1 1 1 1 12251 1 1 795.431@0.8389998 102046 370022 1 1 1 1 141990 123296 173964 1 124703 7231 36617 192306 112711 358427 81195 "DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/0:0)" 139052 48522 235503 217655 203617 301114 306371 193313 161920 86207 382377 217830 222458 43919 222396 326654 257737 C29 H15 N2 O26 nullnullnull15.074637 92791 93458 415709 155972 1 189538 1 374215 78079 106783 234159 1 66747 1 1 1510763 1 PC(O-8:0/O-1:0)[U] 117900 115598 351973 123152 115908 195078 112587 112627 108237 114017 114916 112848 129201 121917 149499 134550 129406 C25 H13 N9 O21 S 603950 1 1 441141 1 1 1 144575 1 827826 545494 1 1 471116 1 317737 71036 2-methylene-4-oxo-pentanedioic acid 177017 271946 101713 135147 172183 55049 138632 116927 127755 60491 76708 87641 100158 135357 89571 394046 127750 C47 H79 N3 O9 67899 57710 107326 103350 97921 1 1 90388 1037313 125877 1440504 30861 535938 1 45430 2045465 1 nullnullnull0.802 18300 1 90273 139289 176346 158947 11181 42277 28204 225671 20713 349509 44518 19386 65107 1 22444 C49 H75 N6 O14 39016 53180 117241 42015 61039 407337 345816 185743 100666 81685 462277 66679 103646 1 43536 376636 56185 291.8621@0.8009999 578366 156976 1865737 2642761 3364587 2900310 444250 863800 682577 4284362 623036 3299094 952763 635217 1103052 151677 695132 C32 H13 N7 O29 107832 1 217411 224060 240096 226000 155938 131049 112602 318233 217059 274257 174343 165556 172330 86579 175633 nullnullnull0.8400001 225402 307305 20175 15491 10568 16199 276013 254560 304221 8468 257676 49160 119188 294456 236148 316296 203563 559.6026@0.8389998 131456 349195 1 1 1 1 179391 159657 201870 1 159903 16326 49611 219981 140908 332324 108257 C25 H46 N7 O3 nullnullnull13.709 268426 201802 327372 336108 327127 308817 299612 272105 256815 197389 318714 305548 323954 141265 331433 340671 336383 261.8836@0.809 194655 11868 87571 77238 74743 85338 150403 265102 227516 89041 191821 196305 201802 225321 318195 6991 200656 C49 H70 N12 O8 97389 130769 1 99324 152594 1046760 874080 442609 251823 177347 1157880 163522 236477 1 116576 859186 143014 177.924@0.7919999 298349 65116 307726 300478 322313 306954 237161 309890 288894 389820 278492 309102 302307 275961 312945 61848 277612 nullnullnull0.8009999 :1 28557 1 145289 219210 289406 247560 17203 52826 39894 372376 31202 334965 64581 31191 76682 1 36490 187.9368@0.80799985 291969 65272 107417 86593 74490 78949 263516 389390 369938 59884 349436 183335 283228 316269 374689 64669 285930 C8 H2 N S2 414770 493289 228031 219551 187159 156118 217554 162479 154274 140641 112202 141314 163784 159120 56303 313844 164149 563.5938@0.838 161076 375491 6711 1 1 1 213293 185248 249922 1 196079 21272 66696 267895 169064 369346 132793 Diacetyl 49514 1 143966 257614 152578 369104 67491 43219 56599 260999 147837 178226 198678 43842 188205 1 114424 2-methylene-4-oxo-pentanedioic acid nullnullnull0.89599997 348547 546449 167961 226826 216680 182538 161539 171638 152702 143481 103151 159413 178478 112692 162743 942074 142933 C49 H85 N5 O S2 1 1 85306 1 23801 404104 479357 137190 51153 43455 387269 21167 32706 1 21806 246475 1 4-Methyl-3-oxoadipate 151699 296735 310095 337254 281820 353313 249170 246117 260952 267506 254161 277464 313531 277574 294809 201849 268774 Pyroglutamic acid 10463 114472 1 1 8744 1 1 10935 1 1 1 1 1 1 14760 211248 1 793.4339@0.838 80166 312119 1 1 1 1 117905 98478 146716 1 101058 5810 29318 159172 92643 304229 66833 C55 H69 N4 O S 1 43188 147213 26258 1 265145 275969 115412 39696 115132 259918 59460 148575 1 44763 269319 48638 "PE(P-18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" 72518 82233 1 36363 54093 867385 399851 295942 142938 320022 622168 103350 188858 1 89192 328166 119652 Neoilludin A nullnullnull6.1510005 213727 239060 228567 215062 243004 240694 382943 284202 188924 272632 295961 258467 348790 145672 222340 278938 329684 PG(13:0/21:0) 1 63467 155369 107732 114977 697970 503976 288608 176122 157276 548330 73076 134897 1 46534 1258134 58213 231.9049@0.8190002 89206 307568 1 1 1 1 106069 96252 128422 1 92967 1 34957 151699 88046 301471 62483 C3 Cl2 O5 S3 60691 356480 6003 1 1 1 74552 70746 99705 1 66959 6183 22206 108392 64055 344217 47490 239.8705@0.82100004 205747 300052 61345 42690 26184 29111 187607 228118 259200 21037 204722 75376 140688 264848 216329 298038 163959 533.6552@0.831 54218 341348 1 1 1 1 57945 56770 82188 1 59971 1 9973 85135 41041 327851 33700 nullnullnull0.8389998 :1 88080 325408 1 1 1 1 122382 106929 144398 1 108448 5609 28704 167572 95507 302662 68423 C22 H16 N6 O14 S 39763 1 80034 233409 125480 268885 17200 8795 17608 276847 75860 214669 143918 26617 133832 1 118731 "(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol" 313761 298416 303658 305584 309105 285639 282054 287085 292597 315208 302301 291167 325564 320889 313840 338059 322551 295.831@0.83 360874 144409 91017 70757 57519 70646 299872 351939 346968 46998 326437 159890 267223 345959 330596 139800 301198 nullnullnull0.78899986 :1 1314895 31048 2557738 2756875 3177200 2672758 1018600 1423356 1290658 3495246 1297749 2638367 1703490 1209079 1517021 33163 1316523 4-Methyl-3-oxoadipate nullnullnull2.9679997 317489 287325 312625 244312 279145 239507 245290 247344 305149 286150 330187 256776 274396 327804 267631 305308 263843 315.8846@0.7919999 256725 178048 429570 532155 632761 663648 278525 347687 329903 888949 302322 638041 323899 314755 387408 183697 290672 Aeruginopeptin 917S-C 28979 44965 101958 32586 49025 361464 264543 146568 86905 63536 389518 51752 75563 1 38304 273457 42470 273.8027@0.8389998 278085 426239 40289 28335 24233 30396 326272 314700 344066 15623 300723 79414 161009 325408 286042 412208 261063 C5 H2 Cl2 N2 O3 S 367400 32164 554146 374636 327220 291703 301633 381031 374589 203624 292607 575769 564248 257260 331480 35342 319753 135.9496@0.8389998 80113 1 344699 295486 317426 286951 60639 69640 51878 268721 65339 269821 158006 43710 73337 1 94622 Amphibine B 1 1 306440 22092 16854 92012 142609 14386 43973 16946 178734 1 46402 1 48057 1 1 C31 H19 N8 O27 S nullnullnull5.1643634 1424548 897752 1 1252656 1 1 578277 772780 4315875 2336161 1 4330442 1 219142 679869 1 739678 C49 H76 N2 O12 nullnullnull14.994468 29249 79603 1 45281 68837 517601 344544 160526 93330 180491 428863 82777 97646 1 23736 859176 54209 "PE(20:2(11Z,14Z)/18:3(6Z,9Z,12Z)) nullnullnull16.608" 141289 322046 835529 202185 227454 1749867 1911732 727375 372055 760600 1671415 402509 919630 1 320701 2021136 350479 293.833@0.83 342394 151030 84467 61556 56102 66391 298922 340217 343564 43941 307986 141290 253202 324062 325358 135887 291185 C49 H81 N2 O14 1 1 384723 1 1 601881 525723 162244 1 1 524321 1 263767 1 1 676621 1 C29 H15 N2 O26 nullnullnull14.442571 1 1 943639 213636 1 1 54568 61605 100150 919970 435676 1 1 1 1 1 1 257.9336@0.8100001 79256 319433 84975 78532 1 1 111045 92144 117137 1 108198 1 110651 132487 79676 352815 68741 475.6968@0.83 34085 309198 1 1 1 1 60220 41948 87510 1 52980 1 11238 96916 38403 292177 24976 213.8466@0.8389998 237114 269262 51339 40016 32723 37836 247696 246972 282224 25816 258780 88889 160107 276139 231965 269724 214447 C6 Cl2 N S2 126129 343127 13895 1 7251 8067 114801 113924 156820 1 112092 14233 66527 169116 119339 344869 79387 "Pregna-4,16-diene-3,11,20-trione" 397437 269266 425714 413525 307582 268942 370544 401032 392177 255067 316763 388818 277050 305335 309709 289847 306189 806.9922@2.554 212462 1 1 5073969 1 1 1 881507 1 1 374810 1 1 1 55560 1 1 LysoPE(18:1(11Z)/0:0) 38452 26796 39867 17115 17705 53389 139231 39342 31585 25360 192900 35476 31494 36909 15593 233219 15987 C28 H9 N9 O21 nullnullnull7.6380005 567694 156691 52447 1 94451 37199 1 77178 1 1 1 40279 100568 1 1 76000 82969 C31 H19 N8 O27 S nullnullnull8.497001 1 675429 1 1 1 238972 2790145 689394 415847 1 176253 177372 149436 1 57701 52961 1 555.7967@0.80500007 26066 1 203838 249488 305322 249410 15431 35325 33458 336939 31410 273739 47111 28583 50621 1 28023 383.7286@0.8389998 117542 207232 8547 1 1 5833 139184 126122 165981 1 128918 21123 52720 168750 118893 211434 93943 C7 H2 N O2 S2 163914 85547 844091 505009 535640 191969 135518 162209 172580 113545 142019 367390 196057 184999 153537 83762 138917 C47 H71 O7 109031 21669 62789 42500 68025 1012545 699239 303736 118839 148039 710634 203624 263172 1 192021 263778 81409 221.8793@0.82100004 94999 363990 7342 1 1 5845 119402 109467 155895 1 112710 15736 43552 170602 102914 364613 70703 C4 H2 O4 nullnullnull0.8070001 1437848 1988247 200820 1707049 1537961 1710858 1209841 926510 1541488 1835076 983434 1750549 902578 1332151 1045193 2324530 1043985 C30 H37 N6 O7 23286 32099 20901 1 6793 60247 59404 40166 18733 17660 70203 12031 15433 1 10958 34372 11624 > limit nullnullnull17.397999 187242 34901 458866 384895 337973 562307 394943 281395 271425 212636 545590 289804 432843 36626 194545 187305 238677 C35 H48 O3 1 1 304922 16270 22949 114383 124274 35920 88486 16519 122124 1 100542 1 16423 1 1 C8 H2 Cl2 S 150724 18729 338353 253654 241412 191579 84527 130902 118101 139734 107090 256593 201457 113534 130267 20704 115384 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull4.6770005 1 1 1 33395 1 325641 1 454977 47240 491538 17093 1 1 1 1 46534 1 415.7414@0.82900006 60871 287045 1 1 1 1 88842 83038 122407 6370 75557 6823 18731 110194 55886 280966 62654 C5 H13 N5 O6 215216 256547 259748 257127 246376 242744 244014 243272 216096 211112 236326 232620 279285 252352 270160 292115 262766 Cystathionine ketimine 464892 249355 213146 298678 297292 204989 215171 217488 186448 169631 134368 174534 223675 139939 220975 141074 200299 nullnullnull0.8599999 :1 436255 1 663046 646630 905611 662955 542714 352430 422129 1028890 629024 1090033 510569 519338 559452 184943 507840 C32 H20 N6 O29 S 1 1 1 235668 177049 1 199170 119150 1 87209 1 280045 287148 121447 1 371356 110863 C6 H Cl O8 S3 277748 1 221247 212664 216334 273810 215383 186948 167475 178467 158471 155523 198823 149005 187594 1 158257 Phytuberin nullnullnull13.707 144314 74476 181550 177454 179523 193977 199721 165417 154339 112051 222813 175832 185593 59055 173562 222434 197196 C25 H46 N4 O6 198207 189307 304608 197958 195035 216824 185281 191679 184468 169271 203501 190003 204811 213851 225661 219875 213663 C51 H71 N14 1 1 260226 1 49442 412516 411073 66197 147837 169142 317804 1 211693 1 122017 1 1 C49 H82 N6 O8 S 36266 7060 135066 92515 83251 246414 200455 101217 83020 52530 229992 66898 129647 1 42348 130855 66149 183.9957@6.474999 109415 662448 660435 682770 511630 479576 434818 422042 391021 415575 433633 425876 419958 425302 414029 417854 411821 531.6568@0.83 72054 264791 1 1 1 1 83890 93423 113781 1 88481 17189 36406 109626 91157 247138 63769 Phe Arg Arg 26244 30316 20102 14028 20790 49966 126616 47598 30364 18629 143488 14220 16284 7266 1 101327 12164 806.63@16.176 1 1 25464 1 1 173025 129076 35520 1 1 242321 1 1 1 1 163359 1 Acetylenedicarboxylate nullnullnull0.88099986 329813 1706741 2719358 1 1 2545578 385142 432697 693920 1 362281 2932616 2992498 772125 294375 1743243 3274269 294.1831@16.165 1 1 39347 1 1 404598 274066 47440 1 1 397881 1 1 1 1 213513 1 Isocitric acid nullnullnull0.86900014 19682 1 68894 185653 126559 203711 5656 20977 1 304124 10484 119571 42763 1 18050 1 14683 "4,4'-Sulfonyldiphenol" 268673 133218 120823 162321 160266 99283 112020 125613 114071 80749 77257 90674 115600 76051 117281 78275 106974 C28 H9 N9 O21 nullnullnull11.14 327517 1 1 23869 1 169215 104589 223880 90956 1 353428 1 1 1 1 1 1 Malate 50187 46925 36309 40465 35463 27267 39702 37486 35552 25404 34270 29118 33802 31810 39113 48738 38757 "PI(18:1(9Z)/20:3(5Z,8Z,11Z)) nullnullnull16.145998" 586621 792307 1593803 570151 918912 6084974 5013779 2679333 1515972 1181438 6851027 1 1404577 1 1 5283821 1 137.9244@0.83 172680 43334 178486 131946 128535 115023 129614 165900 145612 85985 149068 186696 201519 131813 153980 47181 163548 C30 H57 N25 O3 1 1 73077 1 1 196978 136005 54491 1 1 137913 1 69821 1 1 33014 1 L-Lactic acid nullnullnull1.2390001 1710593 2060227 716135 962955 1731215 368452 1241654 1091975 1179165 457620 607621 716004 768968 1198317 50882 3509501 1085082 C4 H4 N2 S3 38119 1 195746 276175 272048 198070 17214 16315 11463 173889 15169 109830 84107 8835 23751 1 29124 PE(21:0/0:0) 1 10411 40091 28906 17722 161969 56680 10586 19021 21344 118382 1 14939 1 18663 132229 7194 C26 H36 N10 134283 129483 221935 143156 143381 165550 133812 132487 128088 143404 140090 133842 147004 146934 162558 155318 149679 Acetylenedicarboxylate nullnullnull0.87900007 255034 1748111 1 1 1 1 275964 1109532 864333 1 142491 1 930288 1917894 556225 1830526 2233050 C30 H56 N6 O8 158962 147739 249711 162598 152579 171174 138033 141939 139229 143979 146559 141252 159082 156847 175418 176014 170708 565.5931@0.8389998 93053 237460 1 1 1 1 127188 110653 152230 1 112572 12949 35538 154099 104470 233060 78573 nullnullnull0.8079999 155616 25149 24539 1 1 1 121238 188634 184790 1 146157 23035 93975 169908 202175 25876 114946 353.7897@0.8290001 264498 224555 42592 30700 23955 32661 240636 269009 288623 18733 243701 79184 171406 298312 255255 223825 206494 C34 H43 N7 O4 17171 74662 58887 1 12063 49206 54137 54158 35614 62745 34645 12478 20404 1 22442 35657 18234 4-Methyl-3-oxoadipate nullnullnull0.8719998 74790 27446 132388 208677 142056 214205 13725 18893 10551 232181 20980 160401 95754 56652 27598 38304 24983 C38 H52 N8 O7 S 1 1 307011 1 15588 51897 99498 15509 1 1 142725 1 35329 1 39833 1 1 473.7018@0.83 109247 247193 1 1 8165 1 110707 111832 148236 1 99497 13077 37670 143787 77633 236461 85028 C7 H5 Cl N4 O3 S3 189466 120346 1 1 1 1 187076 213706 241351 1 194548 6572 87710 249866 222623 126820 143546 C39 H67 N13 S 68906 143366 1 233187 241817 1243827 941494 533216 350081 362641 984959 181279 272161 1 107969 2378517 143561 653.7056@0.8059998 37042 1 99633 152454 200416 167245 19428 55774 33627 255063 30951 259478 66054 39044 70889 7151 32629 C9 H12 N4 O10 21073 1 49026 199090 73112 228534 20653 12159 26196 173508 76763 205998 146443 40659 135220 1 124232 nullnullnull0.802 :1 13412 1 83903 144731 195023 158072 8465 20717 14664 221956 11560 185083 28544 11037 24552 1 13151 619.5573@0.8389998 88947 247871 1 1 1 1 125968 107730 146198 1 112852 7638 28269 166135 93537 236001 72764 C30 H44 N S 1 1 59804 1 1 332663 200634 76336 25627 33077 440061 1 25371 1 1 307238 1 Galalpha1-4Galbeta-Cer(d18:1/16:0) 18451 1 28152 23518 1 73479 148201 14817 1 9516 221183 1 10331 1 1 164034 10244 C29 H15 N2 O26 nullnullnull14.013499 10157 9758 163983 290010 1 1 43064 102618 37590 1 1 93185 67868 144443 30118 118494 1 983.9965@16.681 1 1 1 40174 1 1 224118 82076 139289 1 1 1 1 12380 1 1 26377 C22 H40 N7 O3 1 65181 1 54718 56178 1 1 481629 148076 302105 1 1 589634 1 170411 898202 68624 C6 H2 N2 O3 S 68353 325566 1 1 69449 1 88843 160163 101003 1 68430 1 40530 138003 71395 237656 55940 "17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone" 197259 162179 236380 218053 236672 242870 256275 227097 210243 213355 236799 235147 256232 246701 248682 247782 250168 C48 H77 N5 O15 1 1 618708 1 1 967161 795691 470419 1 1 852372 1 553757 1 1 750270 1 2-Iodophenol 239639 245590 214139 198694 230003 204298 190508 214637 213291 192883 201137 186229 232339 212584 180081 240465 218339 273.8494@0.83 255684 59057 85214 57199 46640 53470 195359 255347 238019 24127 230701 122839 216605 218049 245413 61637 215814 16-Dehydropregnenolone acetate 1 1 128835 26746 18769 92252 99506 15806 42883 11068 89771 1 57656 1 47590 1 1 557.6112@0.838 36916 174968 1 1 1 1 68956 58936 86715 1 58490 9346 17079 85930 46840 160387 30786 C45 H71 O7 32853 1 1 214071 184307 1161384 684411 277015 203270 102426 557570 77731 71940 1 43532 1284015 42202 "PI(20:4(5Z,8Z,11Z,14Z)/0:0)" 11822 39676 47296 12399 25115 80640 76050 35714 26727 49169 79131 9085 40291 1 24818 69308 13022 C28 H37 N6 O7 11600 30682 15458 20019 27801 80654 75743 49151 40901 17846 74667 9819 6590 1 1 226211 13006 297.8291@0.83 172371 222668 39876 30660 23248 30941 149722 156194 189950 17549 138566 66867 112713 168539 140116 219133 122141 4-Sulfobenzyl alcohol 232541 131334 112133 133181 137998 83382 122356 129419 122787 68787 90382 85117 117396 91907 138876 78231 120253 PC(16:0/12:0) 74505 232339 1 1 1 1 109088 88609 130951 1 93165 1 22253 141773 79429 225485 53081 nullnullnull0.828 118079 489041 74326 82176 112704 42775 120160 108800 152221 24739 98744 32280 61384 160311 89734 477437 70651 357.7844@0.8290001 56046 208025 9362 1 1 7789 66488 62341 88317 14642 64398 39264 31628 92725 55670 216135 45051 (+)-Serradiol 1 1 78447 18135 24749 190870 121726 40352 20047 27731 129351 1 52261 1 40730 38586 8098 247.9022@0.81200004 153207 375240 37996 43309 56207 34804 174661 153718 207552 59367 140924 34753 66302 228670 126219 374133 122362 C7 H4 N2 O6 S3 68312 315064 1 1 1 1 100470 74856 111979 1 73628 1 21226 137452 50568 316616 58095 621.5539@0.8389998 70186 194539 1 1 1 1 98446 83922 122042 1 84337 6124 25191 132950 78271 183298 58234 275.8921@0.82200015 228201 158342 330812 247878 231619 202333 142003 190048 162903 113784 180009 347251 306351 161987 183532 150378 195098 C48 H78 N O11 nullnullnull16.835732 67509 110004 585346 178896 180038 996411 849801 441711 217904 311991 842702 1 533343 1 285800 749368 212684 245.9041@0.81400007 201268 145474 15612 5659 1 1 183607 201317 243074 1 195512 21243 104563 244215 190316 153127 147282 C7 H6 Cl2 N O5 S4 97525 1 67443 54195 49424 58548 61302 137179 94685 44734 104999 151454 134436 66750 175627 5602 110257 "LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)" 37496 50858 33096 9495 15905 68702 81553 55899 8022 17282 120654 27975 8462 1 9032 137584 20691 983.9958@11.056 1 1 44603 1 1 106945 1 191151 1 1 1 35077 1 1 1 27287 1 599.7731@0.809 74450 8014 121209 102866 90595 99153 47651 87332 71525 72119 63235 206349 102042 75921 101887 1 62803 Levofuraltadone 24675 1 24295 118033 15597 196282 7681 14727 20548 58268 13771 1 82730 1 46165 1 1 62.9955@0.86499983 36303 69644 77712 39278 56753 54166 57243 51293 30247 61740 49591 61875 77546 46591 55090 197787 67499 413.745@0.828 105753 199983 10445 7469 1 6782 119600 101513 126927 6324 92354 21422 54608 155781 96642 203382 81228 C43 H63 N7 60121 212792 1 1 1 1 97201 76039 117005 1 80917 1 18159 116525 69564 200096 47475 "PE(P-18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))" 1 1 143975 1 1 569040 418230 207375 124612 1 595310 1 190874 1 30933 688541 1 C47 H66 Cl3 O4 59807 204432 1 1 1 1 87808 74888 102824 1 71704 1 20895 114050 62239 195100 48589 183.9044@0.82199997 79149 368585 1 1 1 1 103424 93604 125700 1 86623 1 30778 139121 76256 386273 58662 DHOAA(AcO)-Val-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe 50436 215678 1 1 1 1 76540 66139 82852 1 63331 1 14855 102087 55723 197469 35540 C25 H13 N9 O21 S nullnullnull3.8209999 184190 1 1 1 696218 1 1 202951 517190 812228 1 89834 1 1 1 1 1 C25 H46 N7 O3 nullnullnull16.164 29655 13772 134665 1 32368 1236661 894437 181989 93542 35653 686014 19105 57673 1 1 673926 1 5-Oxoavermectin ''2a'' aglycone 1 9220 15082 25968 9664 79306 70021 19640 12933 16560 102311 9321 14123 1 6654 59189 6816 C46 H59 N O3 S nullnullnull16.380001 1 1 851588 112044 113172 468532 917766 90300 146670 22527 1240368 1 273794 1 216935 1 1 nullnullnull0.81099993 22735 27142 36896 38314 42102 43080 18421 33569 34998 46689 23905 119178 25282 35042 40630 23039 18019 C6 H2 Cl2 O7 S2 151910 14055 66635 42589 33674 41370 107227 156069 147083 35876 135485 92164 142501 111865 151873 20391 125877 C25 H46 N7 O3 nullnullnull13.406999 98614 87016 183303 130597 112663 262135 217094 125066 96835 96842 292812 91133 153917 61482 115334 124324 97486 C8 H2 Cl2 N O S 82625 391581 1 1 1 1 104512 96421 130820 1 86970 1 24124 145455 76189 410755 57122 C4 Cl O 970052 34041 1674584 1821590 2083896 1912136 847715 1123207 1025016 2511893 965970 1723760 1175988 902834 1186278 41330 1014761 351.7918@0.8290001 193332 93786 29636 21198 15005 21628 174928 212524 218528 11875 175553 57947 124205 208986 193272 98809 162480 C23 H21 N13 O7 1 1 145235 58491 43195 104510 131989 26696 58449 30291 180233 1 69626 1 73457 1 9173 297.8731@0.81400007 117102 9565 110679 97283 84578 102013 78170 126059 78143 75358 88474 169972 153498 68753 125658 12213 111148 453.7151@0.82799995 23764 192842 1 1 1 1 33058 34858 44400 1 30361 1 1 59032 19404 186271 16785 C29 H15 N2 O26 nullnullnull14.831 1 11740 1 147936 721831 1 1 112791 284749 171911 1 1 1 38570 29111 1 1 nullnullnull0.80500007 8281 26866 95563 186331 229338 176715 12722 31690 23359 252561 10504 200296 30153 18836 21290 24140 12380 "DG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)" 13167 1 72869 53016 51907 135350 119107 51120 36031 5736 189955 52769 56477 1 45590 128179 56397 "PC(15:0/18:4(6Z,9Z,12Z,15Z))" 1 1 146621 74303 1 221018 445187 65247 107563 148194 439907 75377 202205 1 52300 864232 1 617.558@0.8389998 60856 207253 1 1 1 1 83413 73373 101574 1 73657 1 17295 116330 67440 205128 44132 337.8462@0.81099993 141999 24921 39200 38280 44510 41262 103320 175198 157734 43134 130675 76509 98891 144705 177898 29072 106607 PD 173074 197479 173687 206588 237048 210726 96255 195300 191967 202895 197599 139595 186683 190663 240401 188570 211080 202290 337.7955@0.828 36041 206463 1 1 1 1 36141 40897 51641 1 35130 1 14622 72645 35339 195716 23379 C31 H19 N8 O27 S nullnullnull7.0260005 402966 1 542393 1 1 1542879 231919 720374 1 1 1 331125 1 1 1 1 1 253.838@0.82600015 83808 35858 14860 8393 7265 8103 65667 93696 92638 1 83540 20531 56907 94342 75696 35447 71033 411.7483@0.8290001 143267 185754 13569 9714 8475 9755 133489 144067 167095 7115 128942 29875 72172 165715 130449 179619 111171 155.8878@0.8400001 161747 156329 65100 51528 49814 50247 176158 177020 179346 37913 173247 90153 127641 168127 150222 147123 154602 C25 H46 N7 O3 nullnullnull14.063999 41758 37194 92980 95327 63921 111546 136507 50675 40761 44741 184127 44561 73232 29059 49774 91371 64039 217.9333@0.82100004 237226 130723 871328 500605 404109 217303 187022 113432 192174 89528 170741 525422 419678 258988 183249 52323 136562 571.6263@0.83000004 15332 202665 1 1 1 1 27490 27320 42538 1 23483 1 1 30997 17190 197133 9212 "4,4'-Biphenyldithiol" 173218 1 168771 162961 149579 184287 142484 144055 147709 191722 149923 174985 168585 155220 167502 1 178729 > limit nullnullnull0.802 7394 1 38532 56954 70614 67032 1 20833 13483 96146 9817 170179 21086 11560 34180 1 10389 C55 H69 N4 O S nullnullnull16.626003 1 43188 1 26258 1 265145 275969 115412 39653 115135 253063 59460 148575 1 46143 269312 48638 nullnullnull0.82 40833 176902 7932 6580 1 1 45482 57317 53808 1 36670 1 16959 58866 35842 177992 24811 Tecostanine 53870 55369 46477 24286 28716 85260 30199 33132 33471 23464 49965 30672 19539 86595 55261 25918 21499 C6 H7 O8 64755 179744 75158 50218 77335 125895 122010 60027 68538 142879 74014 77985 121396 46490 60090 157870 39621 4-Hydroxyethinylestradiol nullnullnull10.35 405707 389585 415617 432095 286981 408120 382446 357887 382260 371740 410446 279551 363412 412908 456422 466107 312397 463.7384@0.82199997 20683 186365 1 1 1 1 30373 32407 40222 1 18942 1 6310 42207 20483 181623 13719 305.8616@0.8190002 107369 288610 28916 17678 15157 14437 126583 107755 146346 1 112093 39447 60459 165008 117942 283243 86465 186.8819@0.89700013 47654 9270 106203 105756 102609 90658 70742 48753 66307 62930 117410 90077 106706 108203 119118 1 132729 "1,2-Glyceryl dinitrate" 207401 137152 164953 144295 123376 144255 149176 143868 147965 138924 160625 119387 155348 158406 167634 129432 173597 471.7035@0.8290001 130889 180175 9400 6768 1 6279 141353 145785 198335 1 130012 23398 63167 203919 127883 176360 105071 285.9208@0.812 110695 93406 14469 1 1 7604 93137 104920 103034 1 88468 14438 55642 119705 92439 95165 62128 806.9924@10.872 1 1 1 1 1 235812 1 124513 1 1 290142 1 1 68180 1 296224 1 737.4708@0.8389998 47772 185283 1 1 1 1 73691 60392 91923 1 64462 1 12784 96443 56747 185617 38474 C49 H85 N5 O S2 nullnullnull16.652874 1 1 115463 1 1 279447 140193 178646 1 315203 107104 1 445766 1 1 89393 1 C35 H51 O9 8478 61163 75156 7514 13893 47986 75560 48243 34841 51858 40525 12841 28782 1 22569 53665 17026 C17 H3 N3 O6 nullnullnull0.8839999 227132 10549 915327 1697663 1059783 1700362 169292 108649 207015 1954869 483479 1512575 817517 322198 582689 15144 673792 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull4.7437997 1 1 1 1 78570 318193 11694 486659 75013 671323 7513 1 746195 1 28126 45823 1 455.7127@0.827 35101 181607 1 1 1 1 35098 38823 53816 1 37814 1 1 66966 29019 179921 21580 C31 H66 N25 O4 1 1 118396 1 1 248239 228238 108976 71443 35328 292766 1 136604 1 112966 114751 31884 4-methylthiazole-5-acetic-acid 176059 159788 90174 117172 112377 82828 84418 84208 75031 64406 52943 65495 84525 56290 86390 211275 77467 C6 H6 N6 O5 154616 153099 173415 162869 148516 153542 153184 153807 154460 142343 147546 129897 148845 138064 180550 155404 184987 C5 H4 O7 S2 98666 438308 1 1 1 1 136872 108912 165491 1 146132 1 28725 194820 121267 446044 88427 "PE(P-18:0/18:4(6Z,9Z,12Z,15Z)) nullnullnull17.290998" 45911 74326 165670 293124 267444 1684667 1001059 396760 290768 145953 819209 114284 103735 1 61159 1869661 1 C29 H66 N28 O3 1 213779 763932 1 1 1325823 1139523 340550 1 537345 1431644 1 533262 1 1 1474867 1 C30 H41 O8 56250 25739 19973 81649 83502 71828 47483 97429 112762 22725 80389 51037 13100 57068 45271 118195 64753 C48 H70 N9 O7 29249 79603 111977 45281 68837 517601 344544 160526 93330 180491 428863 82777 75209 1 1 859176 54209 379.81@0.82100004 136886 46422 37852 26771 21159 27844 118141 133275 137159 22329 117003 59075 89315 138232 127561 49485 93532 C49 H76 N4 O12 1 84469 1 90766 98251 1 1 392954 189303 277415 1 1 461842 1 236223 578242 1 C6 H2 Cl2 N3 S 199865 48218 291139 268291 286955 262354 130337 170857 202783 265206 130704 247683 273355 208114 238222 364397 257528 537.2554@3.3009996 64214 94030 106015 115291 117900 104974 116522 116649 102860 111555 120132 104543 147677 118194 142144 154610 147940 C54 H79 N O7 147709 582660 1 246950 634677 1 1 827166 1175197 1490723 1 320518 1500039 1 909086 1 406259 765.4363@0.8389998 36091 151483 1 1 1 1 51527 43101 61464 1 40985 1 9468 71347 35705 143385 26588 581.6619@0.823 18365 160337 1 1 1 1 22941 22151 26937 1 19067 1 9421 34847 14491 159638 15483 "3,5-Dinitroguaiacol" 151970 382673 457875 330513 303615 477331 138368 216846 439498 443710 401065 190527 715044 206179 454791 450208 220258 C4 H4 S3 216261 203640 222118 189328 69994 195710 60124 35894 43001 185462 59901 192401 88578 87290 61613 183007 66325 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull9.432 1 1 27614 1 24578 1 1 151978 1 1 1 1 1 1 17904 166294 27867 983.9952@14.792 1 28339 1 1 48272 1 1 146285 94329 1 194589 1 1 1 1 1 1 C46 H75 N6 O10 80773 1 406193 203238 156809 1 1 278758 325552 377014 1 1 605280 1 1 1 1 C31 H57 N5 O7 100158 97385 161332 100674 93268 110075 89603 90005 89094 90235 91307 92033 98759 104154 116609 116259 111110 889.5753@17.058 1 1 47528 1 35496 64857 142521 42335 1 89532 470445 63695 63104 1 1 307163 1 513.6712@0.8319999 18216 150478 1 1 1 1 31125 20583 42386 1 25570 1 1 52901 17590 142222 11748 469.7066@0.83 144090 146887 11276 8582 6611 7337 142019 163452 165900 1 152101 27835 70546 159013 137381 148799 112371 355.7856@0.83 151376 181747 24653 17535 11985 17799 133360 158016 164594 9421 138361 42906 95523 175512 145987 186399 123458 239.8695@0.82600015 148514 299568 39399 32602 26184 23837 148995 157113 186724 21037 154493 55015 100428 195039 140517 298038 126494 L-Glyceric acid 152221 161854 95901 103531 94524 92421 114370 109462 93272 71924 82206 78959 105564 83771 107845 152613 101733 Phytuberin nullnullnull16.826002 1 1 1 1 31185 1 379783 379126 87359 252993 1 1 449583 1 92669 482662 1 C48 H75 N6 O10 nullnullnull16.903997 124731 299760 1 322701 337822 1 1 1282332 589786 882836 1 391605 1435248 1 809073 2127075 354612 C6 H6 N6 O5 nullnullnull1.2919999 183940 137304 163896 157372 124790 137908 145590 143868 148152 138924 154940 119181 155348 158406 167634 130595 173453 > limit nullnullnull16.173002 1 20707 55079 1 24824 154864 118518 77841 44466 31503 212169 23824 38479 1 1 207998 1 nullnullnull0.8310001 :1 1709516 303288 6785121 5879632 6356272 4964974 1189389 1522571 1295307 4730985 1457753 4893765 3172539 1130543 1422381 324709 1733678 363.8185@0.8190002 67503 183211 1 1 1 1 70856 73841 95135 1 69459 7399 31452 99795 62817 171840 48088 "Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate" 89613 95802 103949 96322 105857 118004 153692 123686 80104 107273 124771 101817 144452 57264 96881 115083 143309 C14 N O5 S2 38148 150288 1 1 1 1 53777 43795 55126 1 45206 1 17285 62926 43841 141367 26945 Neoilludin A nullnullnull6.374 80644 95109 85773 78814 86501 87454 141479 108321 75022 90505 112574 83602 125010 54453 81229 109482 125723 4-Methyl-3-oxoadipate nullnullnull1.2749999 143258 296735 310095 337254 268214 353313 249170 254859 261006 268233 254132 277464 312479 284850 294809 201808 268967 C50 H76 N5 O13 97389 130769 324856 99324 152594 1059088 872113 442609 265584 177584 1157942 163522 261331 1 116576 898712 143014 257.8826@0.8190002 109591 16916 106001 66960 53004 50490 78083 100335 86297 24396 89288 102774 121797 89256 107327 23756 100416 C32 H20 N6 O29 S nullnullnull17.656 150781 1 235229 1 109319 1 1 300772 1 51368 1 1 1 1 202416 1 95925 735.4781@0.8389998 45471 167459 1 1 1 1 66342 56810 85009 1 52744 1 13131 93609 47222 163691 29478 573.6166@0.8319999 16808 143948 1 1 1 1 18493 18390 27306 1 23474 1 1 37962 17084 132204 10333 437.77@0.82100004 153995 29276 26689 17485 12269 19536 108392 148223 134604 1 127379 50779 116199 129759 141868 34742 118337 "1,2,3,4,7,8,9-Heptachlorodibenzofuran" 117768 140256 70059 66617 70801 80357 94793 90966 103039 60488 79723 51087 72986 94677 93044 146398 69975 C23 H56 N28 1 1 1 95113 82517 524727 316648 119438 86826 43527 260648 36553 31795 1 1 606874 1 "PE(18:2(9Z,12Z)/16:0)" 1 1 59882 41821 1 334256 322867 153457 49062 46913 408089 1 86144 1 1 302551 1 C18 H34 N4 O6 42462 45001 135755 47408 41750 70459 42633 44066 41149 38234 43074 39764 46150 45715 56126 51742 46795 C32 H20 N6 O29 S nullnullnull13.844 1 1 269006 213569 167850 1 94895 145137 1 1 1 272638 284115 122742 1 219509 41682 nullnullnull0.83 61198 124698 6192 1 1 1 58812 64003 71391 1 57628 12347 33389 75899 57953 127139 46677 523.7812@0.8100002 89639 12271 31301 29410 23667 26034 78965 108504 125873 18481 71199 64653 95663 106243 107731 1 86187 675.5262@0.842 28970 136576 1 1 1 1 48041 37520 60753 1 45744 1 8325 71225 42038 132737 22683 313.8917@0.8130001 116031 102280 1 1 1 1 122112 124496 144794 1 116615 1 57099 159949 117615 105146 89340 C45 H54 N2 O4 S2 115088 1 153605 33503 1498028 5447864 8970159 1072929 2475385 950471 1.12E+07 58666 2876815 12638 49758 25021 222314 nullnullnull0.83 :1 10135 77974 6760 1 1 1 14247 11373 15908 1 13044 1 1 21155 9861 72720 6986 541.6846@0.823 41637 143082 1 1 1 1 43816 38485 43737 1 30001 1 26551 37663 31036 138502 35471 nullnullnull0.856 53966 40041 73793 93053 126025 46679 21108 18870 17504 27616 10838 24215 33732 1 16770 23120 14354 4-Hydroxyethinylestradiol nullnullnull10.572999 225291 119335 189487 194598 79444 136957 99710 111592 107591 127174 148962 212723 120600 127604 155241 287526 73363 Phytuberin nullnullnull10.023 132981 114609 101783 120090 108116 105426 101284 98838 126266 124940 142173 97959 126442 105798 106695 152410 104192 C4 H2 N4 O4 S2 149650 82117 19047 9267 1 6015 111203 129527 153008 1 137807 14831 86158 165354 141025 89744 107079 "3,5-Dinitroguaiacol nullnullnull13.708002" 43537 20309 95714 68893 58543 54740 60103 62019 68270 38612 98191 41879 74465 199167 40058 78619 45056 465.7428@0.8230001 14933 143265 1 1 1 1 16629 20840 29858 1 17796 1 1 33795 19233 143545 8227 C22 H52 N12 O12 S 54494 80726 87325 90563 97769 85618 88926 94754 75658 86627 103048 81636 132602 99152 115790 122094 120129 333.8523@0.82100004 170293 65427 138346 103480 101011 104929 117743 149453 113575 69626 119187 148516 193750 105604 144875 67760 138161 C47 H74 N2 O12 23264 51157 119257 75247 28677 586095 338161 235160 38659 68862 399025 104175 176749 1 29504 634632 27155 nullnullnull0.8190002 75203 383378 1 1 1 1 98301 86708 116130 1 87295 1 23702 137620 80521 392827 63567 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull7.6790004 112461 54290 1 1 128022 1 1 54481 1 1 1 1 36165 31570 1 91996 82111 C9 H2 N2 O5 S nullnullnull0.81099993 126475 508771 1 1 1 1 162079 138718 180185 1 148641 1 50132 218054 110547 552267 83034 "PI(18:1(9Z)/20:3(5Z,8Z,11Z)) nullnullnull16.192997" 1 1 1 570151 918912 1 5003706 2677967 1506490 1179432 6863421 990935 1405073 48251 698913 5307503 835808 C10 H Cl3 O2 S2 91455 76043 15645 15082 15692 18686 97271 106015 123369 15400 87058 30387 59429 135098 84088 75679 88770 105.0287@0.8979998 112296 90398 59777 67135 64888 48432 66546 70381 64220 39411 48658 42727 56848 50495 59909 73869 58240 "1,2,3,4,6,7,8-Heptachlorodibenzodioxin" 59385 152511 22384 22054 21023 23999 58836 75147 77210 15233 59838 56856 38753 81399 73229 148454 44725 C28 H9 N9 O21 nullnullnull7.805 817145 1 1 1 346966 1 1 133750 1 1 1 1 128994 250216 1 61286 165513 "Pregna-4,16-diene-3,11,20-trione nullnullnull10.902002" 273842 377910 395329 408256 370547 267480 258971 266284 393185 387817 401558 393917 279299 396075 412870 288090 397924 C8 Cl2 N S5 26390 134168 1 1 1 1 27187 25813 33035 1 26430 5895 12630 38285 19959 130137 15552 C18 H28 N O8 15170 18124 121650 15683 20383 19448 22163 19124 21508 23950 18582 18339 29666 83657 18885 46337 17731 8-Hydroxyalanylclavam 6509 1 31501 105809 45909 90149 7745 9890 10360 155694 23942 26649 26496 1 15455 1 1 374.0073@0.87899995 132734 1 47374 87704 66095 83852 49250 32500 67110 79059 43406 74380 61229 40883 71116 6030 55732 C38 H54 O2 1 1 88579 12243 18162 54166 107550 14534 16811 1 168242 1 38709 1 34937 1 1 "PS(19:0/22:4(7Z,10Z,13Z,16Z)) nullnullnull16.772287" 197684 528758 2027901 328942 599323 3628388 2882279 805221 1144513 1443583 3159304 1 1483944 1 920201 3926627 1 nullnullnull0.81099993 :1 92981 70718 59485 52433 39806 50480 74010 128504 108465 32601 86429 130431 111523 105457 144018 64094 84858 L-Homotyrosine 127549 116906 121700 117164 121206 111001 124219 122017 126331 127396 129754 123979 126719 138880 126378 131434 127811 C5 H2 Cl2 O S 149042 486515 139133 161364 151520 121814 230093 200320 303215 180396 224264 326879 204459 310117 260510 497944 192616 523.6993@0.82199997 13056 132178 1 1 1 1 23835 21756 32853 1 23039 1 6848 39332 22212 134533 17124 C30 H44 N S nullnullnull16.152002 1 1 62911 1 1 332663 348424 76336 30469 33077 440670 38865 20858 1 1 304674 1 Chloral hydrate 76086 155768 1 1 1 1 83133 84267 108109 1 80594 1 29847 117901 74321 149137 59891 C32 H47 N11 O 87867 83408 150630 92395 91122 109609 84873 82924 81333 91618 82674 85014 99958 95684 108331 103283 99327 373.8447@0.81400007 62735 165222 21859 23484 28950 33369 75124 70722 98025 24621 67412 60539 24392 111516 65092 167644 48449 C33 H50 N S 27328 6575 82052 65035 66594 115278 90741 60460 42226 14886 135364 60862 67879 1 60293 101930 60237 Phytuberin nullnullnull13.089001 17365 1 60719 45046 46314 96706 86999 41929 36141 8186 117321 41867 41917 1 35251 83274 40835 460.3338@14.270997 133670 117156 167080 123188 81144 163797 141557 98158 102235 79445 156033 102203 97101 124248 139552 109618 107299 C11 H Cl N2 O4 S5 33047 8765 60157 47975 39984 42046 20714 38194 36404 30538 29669 104179 55469 27735 43357 8332 27295 763.5036@15.994998 77887 44413 173620 46951 37356 615207 372950 296665 128046 75020 561140 77182 130916 1 82793 272583 86069 Phytuberin nullnullnull13.405 21449 27121 53702 37918 35868 101135 85443 29282 27799 30056 112093 24816 41066 16809 33564 46818 31476 647.5268@0.8389998 37602 114091 1 1 1 1 51984 40465 64187 1 44403 1 9174 73837 41297 121283 30343 655.5516@0.8330001 53779 121128 1 1 1 1 67598 67078 92100 1 73814 1 19906 104900 69420 105500 41702 983.9954@10.331 37786 11810 1 1 1 98271 1 81814 1 1 1 1 1 1 1 105486 1 nullnullnull0.8599999 :2 492533 1 663046 736931 905763 662306 542714 352736 316915 987026 626863 1090033 508556 519459 474652 185245 498815 C3 O4 33938 12357 160534 139943 139310 93349 24359 31803 22797 77214 33121 109619 61355 22230 33727 10616 38190 2-methylene-4-oxo-pentanedioic acid nullnullnull1.249 176559 270022 101713 69516 171881 55049 138322 116927 127755 60491 76708 87641 100158 135006 89571 392453 127750 395.7552@0.82899994 18473 134761 1 1 1 1 30879 19342 35367 1 29340 1 9055 45984 22480 123507 18691 C6 H2 Cl2 N3 O2 S4 18886 132642 1 1 1 1 25487 22358 34042 1 17854 1 7047 38631 21927 137988 15404 247.0342@0.89700013 139478 49811 53932 71781 70086 45017 53309 54276 48793 34244 33027 36349 44824 30615 47611 20808 46182 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull11.362 125745 1 1 1 1 1 68262 28866 63790 1 1 28670 1 11295 1 112360 39003 294.1832@16.127 1 1 41416 1 1 442530 226834 47912 1 1 457779 1 1 1 1 21471 1 1613.9818@7.067 1 1 1 1 83730 358008 1 82326 1 61369 1 1 1 1 1 1 1 nullnullnull0.83899987 23605 121936 1 1 1 1 36286 28911 52030 1 25992 1 1 55361 24420 114115 15476 > limit nullnullnull16.043 26905 1 84430 68122 67111 133231 113484 57699 46717 42090 166716 49170 82016 1 47239 59594 49824 335.8499@0.82200015 97180 43885 70053 44301 33163 40540 61602 83618 63343 11477 81070 76278 117271 64188 90980 41072 78748 Fosinoprilat 108503 23488 27544 11754 19263 53396 37395 66371 40129 18675 61523 45234 29118 71825 59579 15354 53777 nullnullnull0.89999986 36490 8984 73662 86339 73666 84305 45066 32931 51049 68113 89832 75121 82995 83277 82873 1 92907 132.0211@0.89599997 93207 63626 39959 60138 55676 49859 39773 40053 33737 44778 23345 46314 40825 25168 39121 42607 34432 1613.982@5.965 1 42167 1 1 1 1 1 311455 1 53662 1 1 1 1 1 92846 224280 C12 H2 Cl2 N3 S5 115565 8923 113942 87466 78950 81765 71108 106135 89438 55719 62788 137164 142029 79109 113763 10661 92539 nullnullnull0.81299996 22640 1 53086 43854 35607 44709 17191 36262 24024 30168 13644 86992 54679 17721 22732 7094 31832 nullnullnull0.863 63387 45069 72997 30362 47707 40230 121343 107985 68452 41506 106297 112782 134826 95656 114876 59652 133888 220.8538@0.93299985 23388 7906 79617 132953 80986 134474 28063 18679 18413 141817 59606 103264 74514 38815 57673 1 65348 249.983@8.183 124242 115745 117690 92747 59195 59156 55455 49645 49671 53908 43426 51638 43890 54778 39635 39648 46502 > limit nullnullnull16.099 1 1 26752 16261 12643 112845 61980 22170 13972 1 75475 17367 16262 1 1 43223 23726 527.6658@0.83 98073 63328 6828 1 1 1 96821 102991 120612 1 96039 13582 41412 119038 92277 66041 65602 431.806@0.816 47438 135439 1 1 1 1 53303 56297 68823 1 45157 14746 26638 70063 49564 126046 34986 773.4559@0.8330001 53964 134678 1 1 1 1 60666 60381 78962 1 56883 1 15607 80841 52000 119518 39865 nullnullnull0.8599999 :3 436255 1 658044 644845 897705 663523 542714 352430 324139 985968 629024 1090033 573844 529438 559452 184943 503579 103.9642@0.82200015 1297728 2704178 353315 204896 315960 219595 1313225 1246760 1650245 334397 1366594 480859 721689 1800823 1303140 2781234 1063662 C3 H Cl3 N2 O S 94063 15933 61712 45176 45288 41238 71114 84118 80165 27169 76702 87840 109529 67297 84626 14544 92442 983.9965@10.612 1 16212 1 1 1 42982 1 81814 1 9057 15372 1 1 1 1 1 1 "5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate" 20870 22855 70157 36692 29306 86252 77518 48264 73682 42019 46925 18957 95982 20543 24112 24499 26720 206.8465@0.89999986 43610 10912 89988 109814 87550 96212 51786 42068 62021 80262 102818 90614 97332 95626 100030 8584 107777 739.4681@0.8389998 25712 96985 1 1 1 1 33862 30273 44769 1 30572 1 7845 48613 27237 88192 18915 "Pregna-4,16-diene-3,11,20-trione nullnullnull11.151" 165443 58348 141350 130088 129310 105157 110595 55448 168544 128826 64379 179284 127565 149771 109618 140523 155351 C10 H8 Cl2 O2 S5 108715 57263 1 1 8779 1 70898 71911 95632 1 93720 1 27725 105597 106262 44847 57092 C29 H65 N15 40121 107686 1 1 1 1 53748 49543 63629 1 49726 1 15136 67398 45876 109594 34808 C17 H4 N O21 S 1 1 14093 14608 23045 30016 28851 14214 9525 1 28921 13219 11867 1 11011 13272 9510 C6 H4 N O2 S3 120456 1 34103 1 40514 1 89637 116806 102392 1 1 1 1 70993 22076 161718 25050 C29 H51 O3 29964 34971 61208 42279 26947 76274 66686 64748 54979 51192 78005 26422 59439 1 43899 93830 23604 C4 H3 Cl3 N4 S3 34695 134252 95271 158032 206524 123897 39004 41427 49611 249635 39220 173776 36326 60998 44633 128925 31392 C40 H74 N17 O2 1 1 41593 1 1 230816 159223 73753 30428 19455 227478 1 37990 1 1 156750 1 789.4328@0.83799994 30722 126236 1 1 1 1 38494 30919 48285 1 35036 1 8019 59152 32336 113750 20007 C3 H6 N2 O3 S2 68353 397051 1 1 1 1 88843 160163 27569 1 85519 1 40530 138003 71395 82582 55940 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull4.6790004 1 1 1 18713 1 374582 1 486659 59524 486648 6695 1 1 1 1 85907 1 241.9357@0.81400007 50200 168594 1 1 1 1 59646 55149 67739 1 55357 1 20368 76324 52160 169862 35232 Neoilludin A nullnullnull6.0189996 352740 414445 353244 384505 375255 406025 578597 438875 305463 435791 461352 413703 559890 236631 359728 442638 522035 519.6264@0.83799994 11896 63021 1 1 1 1 16833 14223 19582 1 13490 1 1 22553 11136 57873 7385 C50 H81 O5 S2 1 35926 447328 57013 1 576791 450931 202548 152143 192766 273652 1 552334 1 129184 163972 1 C33 H51 O9 1 11417 14106 1 9323 15098 19877 15120 10618 16589 14973 1 10186 1 1 99219 1 587.6233@0.83 78698 108181 1 1 1 1 84188 86525 97186 1 69369 10657 29412 98879 80992 101590 56921 C3 H3 Cl3 N O3 S4 106463 41377 24988 16806 10644 14213 87666 103268 108734 1 95055 40325 81759 93097 94696 33974 86789 C29 H15 N2 O26 nullnullnull14.794 1 15198 368824 143971 114811 1 1 109747 307210 182707 1 1 1 1 41368 1 1 "PC(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))" 1 1 136510 1 1 243960 208302 41352 49631 40148 153487 1 123622 1 1 343862 1 806.992@10.903 20682 1 1 1 1 240192 1 114003 1 1 269679 1 1 176560 1 522098 1 C25 H46 N7 O3 nullnullnull13.587998 269296 201793 327372 28791 31688 308630 52354 32855 256934 221300 96332 27239 18524 155861 331154 52771 32406 nullnullnull0.8990001 36015 10109 107000 152299 108228 158039 51507 40246 51979 150181 97954 61228 106092 76747 103454 1 116163 Decachlorobiphenyl 92383 51275 1 1 1 1 94525 99088 112284 1 89582 13694 41640 108118 86646 52499 68348 "MID42031:25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 25-hydroxy-16,17,23,23,24,24-hexadehyd" 17098 6744 34944 30977 28853 59955 56425 24973 13510 8378 96238 28754 33131 6802 33043 52861 35157 173.965@0.861 89290 44759 92811 54501 111543 28039 26244 20180 17664 14330 8712 17514 35852 1 10863 12232 13427 231.9067@0.8190002 89206 298366 1 1 1 1 103360 93840 125045 1 91942 1 36288 146477 87397 295940 62483 681.5085@0.8389998 33587 103523 1 1 1 1 45942 38252 56145 1 41392 1 10430 60420 33849 99625 23267 "PE(18:1(11Z)/18:2(9Z,12Z))" 1 1 164361 63205 1 323759 437678 52445 97599 158749 482160 67406 199745 1 40125 480704 1 C5 H Cl3 O3 S2 nullnullnull0.8290001 143238 566073 10823 6374 1 6064 147462 155117 192602 1 140319 27364 73767 220596 130694 560920 97181 Ayapin 36756 107838 46998 29835 47723 72066 71718 35845 39752 81527 48200 49243 75545 26836 34996 94801 22317 259.8809@0.8190002 63400 23426 30348 21439 16303 15352 47427 63162 64874 1 61650 32454 50904 61680 62727 28582 54185 C24 Cl3 O6 S5 28897 15196 26874 28286 29873 29049 23960 39043 40739 28211 27675 88738 25162 33940 46487 8622 24211 C12 H14 N O7 S nullnullnull0.8780002 1700418 54583 1227081 2325989 2136563 1662722 594094 407649 718980 1736191 553223 1922869 1467074 423902 1014270 64193 889664 nullnullnull12.968001 78235 1 107880 55236 70718 93478 117445 92608 95633 69696 145286 71622 96648 183221 74643 54179 87959 C33 H65 N24 O2 43902 116490 1 170624 180708 1 1 548017 329269 467499 1 256462 683943 1 356988 1200870 166713 515.6604@0.834 18402 121663 1 1 1 1 28402 20773 39677 1 32352 1 1 49125 24188 120020 17603 "PE(18:1(11Z)/18:3(6Z,9Z,12Z)) nullnullnull16.660997" 1 1 1 175398 100163 1 1871126 1327306 214535 292565 1373868 298664 665329 1 227035 1072466 264273 C48 H75 N9 O9 1 1 396125 1 1 625440 526126 162244 1 273474 544149 1 263767 1 1 676991 1 183.9955@6.472 185156 695128 659252 740629 517730 479576 456710 422048 424668 415400 392119 425516 420013 423237 414029 418439 411830 495.7298@0.823 108288 28819 15514 10370 7508 10634 83770 106942 102973 1 93606 34785 77985 99617 99002 20167 85270 C44 H67 N6 O8 1 1 48168 1 1 248375 195150 143565 1 29522 131315 34390 68317 1 1 118510 30302 C11 H11 N5 O10 S 57727 40168 77986 43344 53398 46464 89740 77031 68509 63378 67295 65548 77230 55792 79333 36286 76863 C25 H55 N23 O8 5843 100025 1 1 1 1 6251 6242 10864 1 1 1 1 15011 8643 94643 1 806.9915@17.907 1 1 1 16408 1 1 1 1036189 1 193568 1 1 48144 1 1 1 1 C49 H82 N O6 S2 68468 154911 1 165723 213647 1 1 696797 341592 483195 1 212302 853698 1 430730 1197251 211667 583.6443@0.824 23437 115053 1 1 1 1 17390 25085 21380 1 10488 1 1 25666 9642 102199 18471 C25 H46 N7 O3 nullnullnull13.406999 :1 98614 87016 183303 124412 112663 262135 217141 125066 96835 96842 292812 83372 153917 61482 115851 124324 97486 C9 H16 O3 S5 18441 9334 43078 22695 42542 58324 68891 28126 22087 18063 26766 26904 18372 13504 26268 19431 11294 Doisynoestrol 109684 109329 111640 113479 110996 107097 104901 92112 94962 97079 114238 103698 111698 107315 106429 109661 113963 "trans-2,3-Epoxysuccinate" 23052 1 36235 91652 47522 111434 10575 10331 10977 105121 26863 70324 45195 13303 43687 1 40432 853.404@0.8389998 26428 112079 1 1 1 1 36098 31716 45505 1 30382 1 5767 50190 24675 108440 15381 C8 H2 Cl2 N O2 S2 67973 7608 112186 84604 80262 73891 43035 62420 44715 42507 50101 123441 102444 42227 57614 6456 59528 C11 H3 Cl3 N S5 105884 10969 31260 19451 12575 16945 77338 101638 87981 1 83393 49059 98697 80625 99938 7625 87125 781.4962@0.8330001 30996 100935 1 1 1 1 30627 26889 36582 1 31956 1 6719 43304 28845 93000 16479 C49 H68 N16 O2 1 1 114728 1 1 98639 157673 38681 1 39368 140389 31406 75767 1 1 99962 21453 C7 H3 N2 O 73081 43912 29666 42488 35753 35761 24282 25955 20389 41445 14900 28978 26304 15225 21746 31229 21783 C43 H87 N3 O8 S2 1 1 258418 1 67969 207673 234699 155144 145927 240462 127876 1 76527 1 1 326167 1 589.5726@0.8400001 22427 80296 1 1 1 1 34496 28063 38516 1 34269 1 5792 37553 22652 81993 20506 971.3064@0.83799994 20326 109864 1 1 1 1 34626 25548 40099 1 26617 1 1 44430 21941 105417 15828 C8 H2 N O S 26459 98612 31936 15168 29313 22443 39871 40782 35992 26325 11357 21002 19603 36074 14948 74509 35083 "Pregna-4,16-diene-3,11,20-trione nullnullnull10.902002 :1" 281811 409961 392117 413525 419649 268801 370544 256180 393239 259012 292004 388892 267606 390093 306375 286036 373036 "17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone nullnullnull11.421998" 163279 162207 230026 216337 142153 242852 258322 227753 211114 146103 244127 235194 253673 246701 250032 251976 250941 654.4129@12.768998 10500 1 30146 25280 11345 42775 36657 9756 14957 8089 30891 19835 26371 6472 10511 21619 14183 C27 H15 N14 O10 S2 8449 1 48145 40134 27357 87120 67990 18470 40854 65416 88156 32448 59783 8740 50582 10941 20924 iodipamide 1 1 44659 1 1 131519 113427 61725 34220 22881 154854 1 32170 1 1 116330 1 C28 H64 N21 O5 1 1 1 1 1 280136 141210 92800 47697 119142 215211 1 63527 1 28279 101765 1 C47 H76 N6 O16 1 67916 1 74592 80355 1 1 293156 145094 210234 1 83792 352652 1 181661 460533 88311 C5 H4 N S3 74113 101599 1 1 1 1 56446 56298 62216 1 44524 18298 46863 61712 52463 90491 36272 C54 H86 N4 O 17166 7609 27171 36383 33233 44655 14103 26341 25608 36153 15221 92791 14731 22302 31201 8326 12530 357.8282@0.8190002 153830 17768 65381 40088 29931 37904 82997 163839 126108 17681 129594 100511 155833 106165 172075 15552 130198 "PE(18:2(9Z,12Z)/17:1(9Z))" 41830 33551 1 1 1 1 46171 46436 55792 1 45188 1 14792 59984 42566 36661 29508 Aeruginopeptin 917S-C nullnullnull16.175001 28979 44965 101704 32586 49025 361464 264302 146568 86905 63536 389518 51752 75563 1 38304 273107 42470 983.995@8.405999 1 35358 1 198380 1 1 25701 108511 27970 1 1 39813 1 1 16002 1 1 C30 H39 N6 O7 1 17454 17544 1 1 33244 45778 27527 10613 8631 50981 7270 12388 1 1 38718 6752 C7 H N S 89891 118204 68884 196853 95921 103212 172494 170153 66809 115703 107969 105623 164896 140543 86584 121084 513017 PS(22:1(11Z)/0:0) 9911 20714 14419 1 1 12437 18125 18059 1 1 25454 1 11093 1 15062 21392 1 C51 H87 N2 O2 S2 40255 68955 84285 79449 86367 1 1 94187 187442 315203 1 124329 1 1 240209 1 101551 C17 H28 N2 O6 97420 87309 91186 80879 85434 89829 87205 68561 90009 96566 93987 74205 96101 103602 105308 113164 103957 969.3164@0.83799994 18798 103225 1 1 1 1 30530 25320 38501 1 24738 1 1 37136 21670 97063 16295 1035.5894@0.8059998 1 1 35306 51420 61982 58411 1 8252 8628 64511 6357 87662 11968 6278 13314 1 1 539.6902@0.824 21586 109569 1 1 1 1 26648 22909 36457 1 17659 1 6417 27345 18965 111635 14195 C9 H12 N3 O6 S 35796 1 20144 78231 88186 25294 13368 7805 14383 31665 28880 56372 61050 29836 55735 1 78460 C25 H41 N12 23860 33321 183035 34995 31098 309272 316282 104602 66198 47621 192402 23660 47964 1 51195 332126 45082 nullnullnull0.82600015 37708 111737 1 1 1 1 37112 37194 45282 1 34378 6172 26050 52223 36622 107269 31650 303.8628@0.8170001 85160 77957 1 1 1 1 84524 92333 105099 1 88420 5499 35142 120118 86295 74419 65413 475.7877@0.82100004 82387 1 54401 34926 25184 32206 45208 83634 61025 13318 43662 86041 108962 38889 85617 1 67886 "4-Pentenoic acid, 3-oxo-" 22348 71793 165397 233204 143256 218875 23728 6681 26761 260582 55143 188918 70382 46409 60278 49967 13384 "4,4'-Biphenyldithiol nullnullnull1.212" 173218 1 168771 162961 149579 184287 142484 144055 147709 191722 149923 174985 168585 155220 167502 1 178729 181.9185@0.7720001 143172 162598 63054 55748 56584 65752 134756 96157 106135 40804 92926 40262 75320 104635 94489 161736 77188 C47 H97 O2 S2 11179 1 40928 33914 32980 28793 9454 19129 22428 29815 19264 97329 18214 18628 37179 6648 13414 C7 H3 Cl3 N5 O3 S4 23555 1 51532 68133 79271 73321 19210 36975 28928 105606 22512 72078 29978 24355 35645 1 22674 C21 H19 N17 O8 S 75204 71994 93142 75993 82047 80018 92144 80936 81810 70258 76474 62744 84372 66805 95400 67566 92668 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull7.949728 89378 77907 1 31862 249274 1 114274 73881 1 1 21635 29269 1 45704 1 32439 95355 441.8331@0.814 40068 110619 1 1 1 1 48854 43174 48097 1 42958 1 1 59516 33374 115117 16488 C31 H70 N21 O10 44833 113500 1 121244 119602 1 1 426497 244157 307330 938952 145855 716187 1 294246 834888 48575 Lauryl hydrogen sulfate 75996 85240 75403 68436 72016 73731 56955 83014 63334 70287 65836 70556 57147 71954 67187 62214 61824 631.5715@0.8330001 31113 103902 1 1 1 1 40374 38426 55956 1 35484 1 8115 66583 35408 103704 24652 C20 H Cl N O3 S4 74564 19996 1 1 1 1 61044 90865 97254 1 71035 1 29857 96085 96655 17274 48014 C22 H6 N2 62029 48046 44067 49095 52336 81608 64897 62459 55876 52667 54194 52535 58872 74741 45603 60338 50863 C28 H63 N12 O15 7200 85704 1 1 1 1 9948 10011 16421 1 8918 1 1 19175 7116 81082 1 C9 H2 Cl2 N O7 S 106885 13895 352777 169802 127296 88522 77938 103962 108404 6551 65500 186507 156453 120446 184228 15817 123179 C14 H2 O10 S2 29016 87575 1 1 35548 1 30053 28793 41985 1 34051 1 5650 42283 24135 83488 19279 C5 H2 N O2 S2 50549 179918 1 1 1 1 61697 54614 73826 1 58644 1 12820 75713 52972 176473 37503 C32 H20 N6 O29 S nullnullnull5.264 35973 224323 1 62669 1 1 8201 73234 37501 159941 1 19473 1 1 11257 1 41485 637.6103@0.827 18652 84666 1 1 1 1 18596 22673 29413 1 27270 1 8874 28268 26809 82320 20289 Glucoraphenin 52050 44435 72523 36978 49476 44855 78742 70010 62340 54569 57293 51333 67130 52807 71291 39729 74812 C42 H79 N O4 1 1 1 86601 102713 109851 101187 86281 94375 100165 103809 109947 97418 107953 114631 131392 98380 C38 H85 N16 O6 S 1 1 49798 73407 102625 71452 1 6709 6551 106859 1 63345 7618 8208 6223 1 1 "PE(20:3(8Z,11Z,14Z)/0:0)" 1 6689 8145 1 7585 12995 27300 11242 6723 1 24982 1 1 1 1 111298 1 806.9921@7.103 1 1 1 1 1 280112 1 138749 1 1348472 1 1 1 1 1 1 1 C12 H9 Cl3 N2 S 66377 305022 1 1 1 1 96949 75772 102324 1 93376 1 1 116961 61186 338749 57959 "3alpha,7alpha,12alpha-Trihydroxy-24-nor-5beta-cholan-23-al" 48155 7537 65555 57614 67789 49458 34702 44446 35577 30738 60650 51198 50267 36805 39870 48240 33904 C7 H5 N O S 1 1 70619 25774 15827 45669 59454 8562 18497 8151 91964 1 24425 1 25396 1 1 C11 H6 Cl2 N2 S5 64138 6404 95164 59901 43830 49311 36881 54551 44657 18349 40257 97763 89976 38301 54620 9981 51733 C37 H49 N O3 S nullnullnull14.791998 1 1 83368 18889 17327 38963 59456 16157 43018 1 85652 1 16195 1 20693 1 1 C3 H4 N2 O5 S nullnullnull0.934 138053 71609 107596 98684 96232 90008 137504 143329 136306 1 34226 87187 308899 132178 106774 102091 94519 649.5394@0.8389998 33268 100714 1 1 1 1 46680 45467 56045 1 47113 1 7240 65342 41547 98189 24364 C38 H43 N22 O3 21638 96268 1 1 1 1 29139 27087 35540 1 26879 1 6970 45206 23462 97213 13486 409.7508@0.828 90933 36026 9264 7698 1 7179 75853 97817 91263 1 79228 20168 54840 84216 87499 41756 62830 nullnullnull0.829 8859 92798 1 1 1 1 10635 9957 17567 1 8380 1 1 16571 9137 91072 5586 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull2.585 1 1 1 36478 1 1 47150 275265 42795 195758 174414 1 72670 1 9365 1 26446 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull2.4920003 1 1 1 128430 1 1 61548 275265 31546 259213 227320 1 1 1 1 1 1 233.8812@0.77900004 106169 12690 87858 100766 122127 103167 79288 68772 59618 111422 54632 70144 64306 54241 60647 1 55632 575.6032@0.83199984 24083 103230 1 1 1 1 33191 29556 44908 1 29568 1 5976 46885 26192 104733 15319 C23 H Cl3 O7 S4 66230 42788 54316 39047 27077 33566 45020 79017 71321 15326 54896 91945 81984 64390 83092 36200 53489 C32 H16 N12 O22 S2 1 1 111488 1 1 1 68605 59253 1 1 1 145296 1 98336 1 1 1 nullnullnull0.8190002 :1 43432 236462 1 1 1 1 58147 49981 75595 1 55292 1 14465 84764 42040 237724 31265 C38 H52 N8 O7 S nullnullnull15.406999 1 1 306157 1 15588 50422 95522 15509 1 1 142726 1 35329 1 39833 1 1 176.028@0.89700013 81035 41407 34726 51014 42888 31215 34527 33907 32931 24832 20436 25941 30454 22781 31370 21373 30680 C49 H75 N6 O14 nullnullnull16.168 27004 34885 76154 26928 40839 270463 233521 124768 67527 54361 302922 45252 69356 1 28553 249381 37599 983.9963@4.9949994 1 42364 1 1 61196 59966 22578 71106 1 1 1 1 1 1 7762 1 1 "PE(16:1(9Z)/20:3(5Z,8Z,11Z)) nullnullnull16.634998" 117828 170630 620671 175070 99872 2414835 1863190 1325092 214535 290418 1370166 303426 660975 1 225503 1048913 267441 PS(21:0/0:0) 24322 19815 19125 9563 8833 64719 40563 10710 17139 19040 47370 16643 17401 11749 13912 92216 20048 C20 H36 N13 O2 46566 44637 75006 50193 49127 60002 46178 44448 46868 46057 47594 46995 50473 54195 58868 53160 52905 C50 H86 N4 S2 1 1 1 1 1 1 1 212224 69824 130233 22316 1 211013 1 76712 190158 1 C13 H2 N O13 S2 25481 100967 1 1 1 1 30030 25161 32554 1 28187 1 5110 43610 23301 103432 16943 567.5886@0.83699995 48320 121443 1 1 1 1 58521 52426 67108 1 55322 6252 18338 77972 46468 120164 34094 481.7314@0.822 39251 117319 1 1 1 1 41837 42035 50351 1 43265 10380 24645 51327 42993 108396 31788 C43 H90 N5 O2 11997 1 11655 17095 19739 25026 10974 20727 17647 24462 14887 71465 17603 18097 27827 7351 11463 "1,3-Benzenedisulfonamide" 76287 1 88144 85303 76308 95291 65817 60518 68783 103412 84681 96087 100623 77530 97731 1 90827 "DG(20:3(8Z,11Z,14Z)/18:0/0:0)" 10192 68627 1 1 1 1 28062 23057 23703 1 13150 1 1 31856 24127 64080 12361 C25 H46 N7 O3 nullnullnull16.168 :1 22344 31411 132408 1 32368 1158767 877733 180358 72636 35499 698714 27351 64092 1 24275 708882 1 C49 H86 N8 O3 S 8676 6409 18209 24014 27947 27821 6576 12840 10686 25541 6317 73921 12975 8893 15334 1 1 C12 H2 Cl2 O13 S5 63629 20193 15154 12516 9448 12166 49083 78839 74138 7284 58448 43701 51405 68344 85263 18050 50249 C46 H92 N3 1 1 33791 41560 36237 41348 1 6811 1 36872 1 73819 10391 1 11559 1 1 > limit nullnullnull17.5 35176 1 41645 44694 34902 35695 22097 48808 40681 23009 19230 66728 39904 1 24787 25424 78416 > limit nullnullnull17.334995 20309 1 78393 54578 64455 81968 53217 19652 21070 17517 119168 32254 39732 1 24012 11052 17292 713.5075@0.83199984 49014 81466 1 1 1 1 55826 51656 79788 1 53497 1 14562 84097 53471 79121 36226 639.6169@0.822 8817 84707 1 1 1 1 10956 15416 13676 1 9365 1 1 18439 5990 84432 10258 397.7527@0.827 16210 96275 1 1 1 1 17123 16079 22158 1 15930 1 1 24723 14061 90161 9765 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull16.19025 70177 32810 694229 1 1 10369 586749 44460 14705 1 1 1 1 1 1 1 82067 395.8049@0.81400007 76508 23075 18281 7747 7160 12616 70440 103036 88981 1 71521 26599 65413 88474 93205 27645 66000 C8 H Cl O11 S2 65151 70454 9306 8954 10606 12033 62814 68386 79450 1 58823 36893 38605 74971 64687 69311 47419 C29 H43 N O16 7433 11513 7343 1 1 19298 21314 13375 1 1 24680 1 1 1 1 11824 1 C34 H49 O10 13359 14575 8886 6991 28248 1 1 33102 42918 14824 1 18448 1 9974 21005 20831 26416 393.8086@0.823 67519 13852 29770 13621 13268 13930 41637 60379 42223 1 45917 39026 69852 42747 54358 11191 51849 SM(d18:0/12:0) 26255 82702 1 1 1 1 38022 33271 47803 1 32208 1 7701 48651 29253 79325 19531 C7 H Cl3 N3 O2 S5 29101 115573 1 1 1 1 33634 31736 39550 1 31828 1 10483 43808 28586 117119 19153 545.6309@0.83199984 25209 51311 1 1 1 1 25791 27690 40557 1 31159 1 9018 45220 27982 46923 17459 355.8312@0.82200015 155822 15877 71950 25324 11371 16731 100152 136649 147954 1 116205 50685 147438 112184 132247 10625 119290 4-Methyl-3-oxoadipate nullnullnull3.2999995 42898 45446 92322 53379 67328 57800 49732 56433 48175 63859 58104 52089 49838 119157 49007 53816 47515 351.8181@0.8290001 192035 77466 65406 41803 30983 38557 162865 212575 204125 19356 173723 93151 187158 222954 205772 88627 180876 983.9957@11.406 312705 1 1 1 1 1 32323 98259 1 1 1 26324 1 1 1 1 1 633.5681@0.83199984 35719 76341 1 1 1 1 43853 41383 61117 1 40333 1 11039 63893 36905 78813 24460 C37 H73 N22 O 14148 10053 10616 16718 18229 20847 11707 28220 17342 21202 16332 74941 22455 18555 26886 8361 10957 Neoilludin A nullnullnull6.0189996 :1 213428 413744 352205 384213 374366 405115 575778 438875 305463 435410 460289 413129 558888 236306 359113 441537 522036 C39 H35 N27 O2 15766 83946 1 1 1 1 22894 21178 24600 1 18900 1 1 34034 17533 88978 11896 412.1615@3.2999995 37093 55939 57112 65860 62523 65555 65321 67560 60568 61971 66505 62293 78073 69192 76118 79975 80209 105.9608@0.809 759926 1019303 443362 413560 89172 441269 819828 1001941 980993 563726 810331 678708 775686 965563 852852 960847 727174 823.4378@0.8360001 36565 87928 1 1 1 1 41978 39524 59485 1 41960 1 12937 47004 32277 84004 25138 1029.2642@0.83799994 21580 88615 1 1 1 1 32400 26319 38295 1 26609 1 6654 42666 22318 82974 17336 3-Oxoursan (28-13)Olide 1 1 64619 11105 8449 34730 52903 7994 16352 1 85152 1 17533 1 19528 1 1 Sulfuric acid nullnullnull1.295 1 153408 1 134647 187560 101461 1 18213 1 1 41419 68646 65089 60024 57676 39846 31461 nullnullnull0.829 :1 54906 38970 1 1 1 1 61095 59025 71151 1 58439 7707 20344 73035 48549 24520 35612 592.5744@0.8389998 37336 81779 1 1 1 1 47753 43409 57131 1 50415 1 10093 67732 41523 86014 30345 TCA-ethadyl 22689 82794 1 1 1 1 21104 29160 29227 1 23118 6249 12171 28558 21232 88002 15252 C47 H71 N3 O7 nullnullnull15.987 40100 27940 204484 20478 31333 200447 355341 124847 143405 113497 374807 70866 149332 1 82796 527703 82503 C6 H3 Cl O6 S5 27461 107910 1 1 1 1 33920 36623 40979 1 32570 5481 10386 45261 30682 105989 21303 nullnullnull0.8119999 29722 89674 1 1 1 1 40790 30006 45225 1 35957 1 7568 46976 33025 86142 23033 815.4916@0.82799995 13513 77475 1 1 1 1 15594 15132 16207 1 15123 1 1 13190 10232 78017 12945 C33 H57 N16 O9 66977 113088 1 1 1 1 82979 77009 101582 1 72834 5879 23203 105748 65319 108872 50621 C52 H78 N O S 1 1 1 1 1 37911 88748 152270 81194 79413 1 1 127884 1 51594 37347 1 230.8897@0.89700013 30787 1 65421 57199 60882 43325 40053 25500 38557 28137 60500 46746 55044 60898 61424 1 70348 4-Methyl-3-oxoadipate nullnullnull1.2749999 :1 176889 205343 234080 267826 237313 267540 207237 236350 195330 377176 266953 232700 240235 305192 224306 207034 212762 "PG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))" 39385 84238 1 1 1 1 49987 49176 64709 1 48048 1 14472 63965 43615 83367 32048 C46 H79 N5 O S2 1 1 1 1 1 274882 222964 84401 35353 23904 269461 1 27008 1 1 324957 1 404.3138@13.584 15836 118344 315125 31787 19137 69836 44809 26916 21346 10622 78630 26970 21631 104074 21340 63104 32745 467.7106@0.829 69562 1 8944 1 1 6455 64176 82309 77316 1 68224 19837 52126 70326 76566 1 64410 Bradykinin 1 1 16913 25998 33379 29993 1 9949 5623 43534 1 78727 10170 1 15608 1 1 nullnullnull0.7810001 77804 6839 69566 69132 73136 80913 62496 51908 46379 63269 42047 48634 54059 44604 54337 1 48073 C5 H2 N2 O5 75828 63046 54686 48495 55421 52149 42356 63925 61747 58501 53081 45210 43856 64174 41075 48748 42753 C48 H88 N4 O3 10455 1 10158 15298 15518 17668 7045 17262 12636 19996 6898 65597 16946 10379 18677 1 8996 545.7524@0.8079999 41045 32743 1 1 1 1 29851 64703 58084 1 42366 9248 31137 47868 74533 30992 34563 4-Methyl-3-oxoadipate nullnullnull1.6299996 56262 89297 75098 82534 75252 62592 58962 49883 49238 49448 59567 56652 70796 61227 66723 55011 62325 C46 H59 N O3 S nullnullnull16.257002 1 1 844963 23523 21205 88957 175029 19035 32843 22527 219968 1 53245 1 46559 1 1 C5 H2 N O2 S2 nullnullnull0.81700003 50459 179918 1 1 1 1 61697 54614 73600 1 58644 1 31985 75713 52972 176473 37614 C20 H36 N7 O 34988 30172 65705 45167 36620 94891 74649 39167 29594 34760 90266 34787 57159 17474 42726 48180 33136 Quinol glucuronide 38785 69765 28401 37108 40224 13007 34024 26169 29753 15764 14744 18455 18199 22804 18418 76744 27405 C31 H20 N8 O26 S2 14560 70927 51560 53875 49648 1 50467 150420 1 1 1 43521 1 82664 1 1 38381 956.976@7.2239995 1 24107 61305 1 1 65321 1 24001 1 37611 54329 1 1 1 1 1 1 645.58@0.83 53151 72117 1 1 1 1 53292 59793 66029 1 53676 6071 24023 69820 51459 66582 42272 224.856@0.89700013 28807 1 63945 55647 58939 49374 37816 24587 40145 36422 70666 54040 59652 57214 60374 1 76110 305.8625@0.8190002 76875 221351 1 1 1 1 98450 81063 107711 1 89949 6042 35693 122671 88663 219914 67631 1613.9829@9.638 1 1 1 93866 1 1 28570 191538 9702 1 1 40385 1 1 1 122300 17461 C37 H75 Cl3 N4 O7 36906 82940 1 1 1 1 48745 39890 59504 1 43930 1 13386 61045 38881 79578 28993 C9 H5 Cl S 136191 52882 106143 97272 94964 92654 136448 141926 134524 1 33563 1 302659 131410 106774 100513 86676 911.3581@0.83899987 18539 93429 1 1 1 1 28866 23762 36304 1 20661 1 1 41890 22874 96285 12427 C44 H79 N2 O11 1 67697 1 1 124401 1 1 235542 209636 139339 1 1 47662 1 1 724313 1 nullnullnull0.816 42797 1 50177 34161 26125 26949 23984 34739 35077 13543 27516 54299 57199 32297 41253 1 29541 589.748@0.81299996 18718 29441 18636 19271 20371 18004 21284 28798 29744 21885 23614 56208 22217 31495 28377 23893 10740 407.7878@0.81200004 29711 89515 16996 15616 16802 17276 28838 28353 43833 12366 30124 12202 24268 42909 36340 83013 20377 C32 H13 N7 O29 nullnullnull0.85900015 129955 1 263310 267381 370825 234207 206753 134079 170543 389883 261364 419913 211708 220834 195982 121096 211085 nullnullnull0.82600015 :1 61117 98552 7537 1 6730 9518 53419 61620 71857 1 65070 23582 57673 71990 61271 91005 54991 nullnullnull0.823 80158 10567 9921 6078 1 6873 54492 77721 68048 1 65323 21531 51043 58642 73714 11575 57520 C46 H79 N5 O S2 nullnullnull16.18 1 1 61367 1 1 265705 230863 84401 35353 24450 343910 1 26936 1 1 327102 1 591.5768@0.8400001 26270 74705 1 1 1 1 37545 33119 55664 1 38800 1 6196 58136 32594 68558 22392 C3 H4 N2 O5 S nullnullnull0.9429999 131612 63963 104894 94836 93588 87861 133709 139597 132773 1 31223 86020 303193 128794 103771 87093 83395 nullnullnull0.812 13403 1 40551 41257 41040 41774 6670 14515 13075 34315 1 63023 12373 15184 8650 1 6846 C15 H2 O17 9364 1 10801 9507 1 16038 13760 11056 1 1 27816 9680 7664 1 8776 11706 11371 nullnullnull13.162999 51409 262089 49796 36925 22183 130707 38349 25215 1 1 77706 85458 71889 1 1 50482 67827 609.7371@0.8149999 32311 95893 1 1 1 1 29182 42129 37452 1 39002 8205 14979 39895 32226 93375 19879 nullnullnull0.81099993 :2 55337 17695 29683 21775 21657 17644 46120 67526 75190 1 52606 14672 21713 73126 67659 15623 35834 Teniposide 58289 62833 75631 61475 64976 64103 75065 60234 61947 52805 61356 44178 63853 48476 75016 49326 70162 "3alpha,7alpha,12alpha-Trihydroxy-24-nor-5beta-cholan-23-al nullnullnull13.087998" 13489 44521 25198 16691 64830 36839 24577 18094 14591 1 40488 19973 24202 1 25985 37195 21604 C34 H65 N23 O2 845165 1801414 1 1860884 1981305 1 1.55E+07 7749456 3549069 5168307 1.59E+07 1 9377246 1 4830876 1.31E+07 1 C10 H Cl3 O2 S2 nullnullnull0.813 81150 70368 11617 1 1 1 90162 90308 112720 1 76453 1 46220 80309 67653 66859 80258 Diuron 78926 33461 39295 46536 47775 30318 40168 43450 38048 22598 27685 27112 41160 30571 44826 16949 40888 450.3192@13.406002 43163 32008 90840 62219 50505 131795 91849 54476 44981 50089 126589 34490 74915 24488 54272 57751 38245 > limit nullnullnull0.8389998 17705 71524 1 1 1 1 26831 23831 32099 1 21896 1 5772 33547 18826 67965 15159 881.3721@0.83799994 15138 73876 1 1 1 1 29125 17439 29407 1 22841 1 5460 33776 18393 79718 8143 701.7049@0.81299996 24222 25578 30224 40681 43023 43752 17799 28410 26973 50710 20335 83276 34842 19246 31813 24785 16983 C22 H6 N O26 57461 1 88194 50016 59485 129997 103855 55877 64650 48348 76766 27693 62330 1 37977 44030 27347 275.799@0.8389998 41233 67852 6571 1 1 1 54198 49052 55091 1 48259 13555 27926 57709 43941 68006 42234 4-Hydroxyethinylestradiol nullnullnull13.708002 21791 16840 38738 34762 32609 45719 38464 27149 28633 20479 56427 29786 34030 10994 34213 44161 39885 3-Furoic acid nullnullnull1.2180002 1718972 291435 2736633 7262494 3890977 7991704 967433 708277 991951 7930895 2270410 5614480 3921040 1259170 3354760 410926 3158977 648.5369@0.8389998 20677 65781 1 1 1 1 32715 27510 37134 1 23780 1 5943 43215 22661 67554 14988 C34 H47 N13 O21 12835 59282 1 1 1 1 19506 16480 24486 1 15222 1 1 24505 12324 53771 10149 1027.2719@0.83799994 18339 67791 1 1 1 1 28093 22358 33939 1 21538 1 1 32033 17796 65324 13379 C36 H67 N6 O10 25727 64206 1 1 1 1 33284 30491 45154 1 28320 1 7620 50746 28339 68634 18779 C25 H46 N7 O3 nullnullnull13.406999 :2 98527 87532 182094 124412 111836 262298 216470 125066 96915 102417 292464 91098 145008 64537 116495 124324 98375 C30 H44 N S nullnullnull13.089997 15719 1 51202 39397 30097 68440 45311 35825 27300 10913 77847 36582 37737 1 29169 62744 32612 806.992@11.354 295666 1 1 1 1 1 366328 78327 74964 1 1 1 1 1 1 1 95824 C35 H61 N14 O4 34180 28461 73306 30834 27570 40513 23645 26616 25914 25273 25452 24708 31006 29184 36808 32231 29928 PS(21:0/0:0) nullnullnull11.572999 24322 61346 39430 15629 23097 86941 94857 49644 42542 39842 99946 16643 34514 11749 15745 112387 20216 C32 H20 N6 O29 S nullnullnull13.814001 1 1 127769 73704 68589 1 94895 150818 1 180593 1 274617 289595 126525 1 87061 110863 C14 H6 N2 O16 S2 1 1 8962 7457 1 15330 16932 7661 1 1 25616 8277 7848 1 9998 9658 6698 C7 H5 Cl N O5 S3 29954 120307 34348 45897 62497 22065 17324 16612 11257 12320 1 12843 16325 11864 10111 127892 1 433.8048@0.81400007 31989 106348 13759 18596 14860 14486 34061 40154 43328 13284 32642 52116 12902 53491 35796 102541 23586 C6 H6 N2 O6 S 50730 1 52304 88576 76051 94732 29786 23590 30821 90641 57078 90546 235897 37442 68509 1 71051 C16 H Cl3 O2 S5 22985 87384 1 1 1 1 31300 26579 32149 1 24362 1 8369 38643 21180 86892 15627 C11 H2 O7 S2 21680 104573 1 1 1 1 31544 21810 33977 1 27446 1 5954 41051 21209 101250 16674 > limit nullnullnull0.83799994 16828 69205 1 1 1 1 25161 20357 28293 1 20950 1 1 33051 18345 62440 11860 C58 H91 N2 O S2 1 24407 77700 1 24478 141873 131994 86928 38766 40520 166387 34257 39418 1 25630 112848 18918 C32 H65 Cl2 N10 O10 S2 10924 73397 1 1 1 1 17648 18087 22392 1 15821 1 1 26418 12784 74364 7005 606.4128@13.848 14282 1 1 1 1 1 1 10723 8225 1 8146 1 1 1 1 9954 1 "PE(P-18:0/18:4(6Z,9Z,12Z,15Z)) nullnullnull17.253002" 45911 74326 164544 293880 267444 1620673 1001059 396760 290768 1 819209 1 1 1 1 1856162 1 nullnullnull0.8240001 43008 11374 58455 45745 38925 38534 31342 42838 30848 24311 36841 57947 63561 25817 43789 1 35986 Isocitric acid nullnullnull0.86900014 :1 19682 14335 67343 188946 121679 211099 1 20779 1 304124 11548 111933 42763 1 15818 1 14755 Phytuberin nullnullnull14.063999 9727 9372 22065 15609 11333 28434 38950 12023 10282 6115 53493 13603 11474 7780 10649 27163 13709 "3,5-Dinitroguaiacol nullnullnull13.089" 1 29792 1 59695 23336 14152 26440 47556 36538 8793 42976 49960 1 1 1 104152 79216 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull14.992 27075 8840 41561 1 1 1 1 198657 72970 42143 1 7742 1 72164 1 59360 1 C32 H20 N6 O29 S nullnullnull5.215 37191 224323 1 62669 1 1 20177 73234 37501 156680 1 19750 1 1 11257 1 41762 C3 H2 N3 O S3 154514 52780 141783 197678 129081 180972 151017 200042 157879 181533 138117 176909 96196 82285 122595 42833 192570 nullnullnull0.8059998 8485 1 5774 9285 10124 10512 6606 12707 10926 14386 7042 56615 14310 7651 19911 1 5514 629.793@0.8149998 30906 68989 6411 6378 6605 7285 29055 22405 38020 1 26317 5657 1 27965 18723 68464 7348 361.8213@0.8170001 48838 57726 6268 1 1 1 45694 50444 59226 31428 45449 14356 26572 63297 45825 52541 34964 Chinomethionat 79900 72735 77393 63414 36578 36083 37102 31179 33250 28063 29712 28128 28346 27377 24907 27627 28827 nullnullnull0.83100003 55178 57935 1 1 1 1 56113 60221 69270 1 56408 6136 19636 70096 50956 52977 36952 C18 Cl2 N4 O5 S5 30068 11922 21538 31646 36110 32986 26400 39599 36945 46963 32314 50479 21225 37141 42419 13811 21360 819.4541@0.83199984 41360 67891 1 1 1 1 42852 48956 61539 1 45096 1 13073 58902 38426 58798 32542 C6 H6 N6 O5 nullnullnull1.632 42329 46790 51240 51626 39945 46879 42738 42561 50284 37790 38669 36468 50741 50181 64929 42463 49831 C9 H2 N2 O5 S nullnullnull0.8070001 126619 509469 136628 131779 127498 122988 163138 156378 180497 124349 148641 121873 50090 214298 110711 552267 83672 C45 H75 18325 50019 1 1 1 1 24938 19618 33787 1 24790 1 1 33555 15596 46942 15830 C18 H30 O3 S 28666 13337 39693 34012 33764 40320 46100 32019 32585 21772 55461 36367 33479 9558 44059 41844 37191 C32 H20 N6 O29 S nullnullnull17.527401 150781 67158 1 350807 51592 1 1 163604 1 79942 42856 1 143123 1 187292 1 95925 C49 H75 N6 O14 nullnullnull16.162998 39812 53180 109880 42015 61039 407337 353718 185743 100666 81685 463869 66679 103646 1 1 376306 1 C3 H Cl3 N2 O2 S 25846 1 29878 39857 58438 43391 12643 17516 15635 73777 11909 32461 14672 13021 16198 1 12666 C46 H68 N17 O5 1 1 85086 1 1 118914 88018 34363 1 1 138268 1 49299 1 1 172226 1 641.612@0.824 16681 67952 1 1 1 1 12629 19479 19331 1 12290 1 8741 25193 12989 66537 12876 1025.2798@0.83799994 15389 74488 1 1 1 1 26276 22234 24940 1 20238 1 1 35289 17966 71850 11739 590.5788@0.8389998 22988 62257 1 1 1 1 33650 30097 38410 1 30168 1 6014 46722 24542 64618 17536 183.9958@6.4357643 130796 113509 115830 110184 78413 72995 69704 421569 442683 61860 451583 62069 420039 59818 414029 417854 61823 PE(O-16:0/17:1(9Z)) 28704 81876 1 1 1 1 40318 36811 51391 1 30424 1 8751 49294 31901 77312 19046 C25 H46 N7 O3 nullnullnull16.826002 52135 150597 1 109638 1 1 1 1124860 414648 791975 1 1 1380936 1 438628 2230619 1 C43 H66 N7 O9 1 1 45720 1 1 121057 99919 77070 1 1 78302 1 34667 1 1 62550 1 C30 H44 N S nullnullnull14.063999 17914 17203 34894 34927 20639 41357 55054 24489 27519 30270 66407 20845 25379 13245 22024 41544 28043 967.3364@0.83799994 18950 89184 1 1 1 1 34137 28698 41726 1 19954 1 1 47598 24038 91890 11039 nullnullnull0.8330001 29423 50971 1 1 1 1 36514 32628 46406 1 34386 1 9770 53291 31615 53016 18345 Thyrotropin releasing hormone 60787 62112 61230 59490 61887 59984 56418 57688 57670 60113 61969 58478 58627 60959 62233 66688 63999 > limit nullnullnull1.2409999 17485 62762 9178 14218 24682 1 13151 12453 15155 1 8006 8838 9001 15651 9640 37234 13586 569.5864@0.83199984 27817 29068 1 1 1 1 36613 30843 45015 1 36284 1 16616 56336 31403 38921 22837 C32 H45 N6 O9 1 26346 15709 1 12521 24161 22391 25564 22905 23306 19265 1 8654 1 7860 57121 6833 nullnullnull0.823 :1 34103 124337 1 1 1 1 32198 32032 39944 1 27699 1 20403 42385 30622 116561 25651 C28 H39 N5 O12 1 11443 1 7206 8462 25280 21742 18114 14169 1 24327 1 1 1 1 67803 1 C7 H2 Cl2 N2 O3 S5 76416 28343 32818 15129 9652 15682 50708 72292 58571 1 53836 39516 75603 50531 65500 26435 61183 "(6R)-vitamin D2 6,19-sulfur dioxide adduct / (6R)-ergocalciferol 6,19-sulfur dioxide adduct" 1 1 52260 1 1 32006 27883 12291 21855 9337 21673 1 29665 1 1 1 1 C16 H Cl S5 62922 22146 9552 8236 10125 8665 51090 71623 61888 6560 53154 14155 31582 60653 61764 19440 47200 205.9119@0.81099993 143399 37616 164579 84398 62724 188311 58194 161913 197596 1 109229 491372 247929 88723 120843 31361 80459 nullnullnull0.8599999 :4 436255 1 656950 648120 906224 662826 542714 351480 332854 1028818 627897 1049322 562126 523034 481868 184943 507234 548.6296@0.8319999 10547 43646 1 1 1 1 23494 14018 24156 1 14926 1 1 30781 13920 37895 11210 nullnullnull0.809 1 1 30334 42637 56455 45017 7076 12756 12031 66571 5711 52945 7645 7352 9807 1 1 C32 H20 N6 O29 S nullnullnull16.362999 74026 100172 219929 1 1 107298 179946 92690 1 43458 135144 100129 290477 1 281735 1 82814 485.7925@0.81700003 32515 82556 1 1 1 1 34229 32920 42156 1 34133 1 1 44375 29937 78137 17049 C51 H90 N2 O 1 8826 22858 27355 27446 27719 1 13757 8297 24271 1 62681 11151 5598 10840 1 1 C28 H29 N18 O7 1 9306 1 1 1 16533 15930 10748 1 1 21766 1 1 1 1 8944 1 831.4264@0.834 25268 63565 1 1 1 1 38314 29583 48048 1 36076 1 7173 53100 32678 61214 19948 766.4392@0.83799994 28736 79954 1 1 1 1 38532 33638 41575 1 25498 1 6475 56732 26964 69435 21572 nullnullnull0.8100002 17007 9837 34768 31537 28854 29388 19249 23863 21156 18656 17636 62586 13299 19731 34040 1 13503 C13 H17 O4 59334 63931 64496 65830 65435 62301 57234 58278 56070 60836 64214 57521 63498 64929 61470 66003 61956 1057.2648@0.8360001 12471 70335 1 1 1 1 13876 13535 20366 1 13785 1 1 28123 13477 69328 5854 "17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone nullnullnull11.423002" 229011 22425 230026 217914 144327 242870 258228 225263 152569 146103 236963 235147 253810 246701 250032 240554 250941 C21 H12 Cl2 N16 O S 17471 1 24247 50742 33489 54615 9331 5792 9261 54062 23256 43024 32241 12441 30130 1 31496 L-Serine 50423 168292 47634 45074 50167 56922 40496 64814 34877 49583 36571 50065 47158 53808 73040 279599 60720 "4-Bromophenol-2,3-epoxide" 77539 55923 14603 1 1 5703 66576 72198 79405 1 66821 17713 51448 80972 74954 54823 57186 315.8445@0.8149998 39410 10136 33423 31220 25084 29707 26863 35709 38715 19171 36546 64461 54239 38191 54009 13353 40071 341.8404@0.81299996 68095 15303 39036 33987 29292 42704 53585 72649 69342 1 56462 63346 53950 65112 70966 17437 54196 1117.2292@0.834 11277 68649 1 1 1 1 15132 14037 23084 1 13425 1 1 26962 10519 66461 6865 Teleocidin B-1 1 1 247703 1 1 365410 219157 145840 53325 99473 195520 1 165876 1 1 316249 1 Deamino-?-keto-demethylphosphinothricin 44486 47113 43472 41982 36052 32636 43325 67057 43398 42901 41111 54755 47506 33636 46145 43614 44881 4-Heptyloxyphenol 77687 76640 83401 75198 78426 76916 73810 74822 79954 76916 78019 66912 75450 75480 74105 75338 76212 C18 H45 N12 O4 1 57277 1 28213 38501 1 1 249089 100334 205200 1 40546 373354 1 103100 1 42341 231.021@0.89700013 68435 26137 35050 38097 39017 23624 32865 36046 32774 19681 22999 21487 32555 24643 36369 12696 32785 5-Fluorouridine monophosphate 34434 25156 45037 24864 34570 28243 52051 47592 40340 38031 43433 39284 49184 34819 49786 20560 47353 Etretinate 1 1 44144 22284 14195 42277 46553 8430 10142 7239 54668 1 13266 1 16421 1 1 Benfuresate 44635 51896 58567 56647 52112 51936 52086 48037 46258 49504 51361 51894 59190 57746 66488 60658 65103 C36 H47 N19 O7 13866 67870 1 1 1 1 19784 14235 24201 1 21271 1 1 29852 16947 63407 10912 C36 H79 N13 O8 S 1 1 133499 1 1 207062 202994 60880 73730 70324 231300 30262 33539 1 61255 227052 33059 Chlorthal 43673 10471 22534 13289 11564 14242 36897 45293 36297 8858 35190 33094 33791 40210 48500 11656 31461 C18 Cl2 N2 O5 S5 21224 66799 7616 6586 8017 6156 23674 27356 32556 1 22178 16033 1 28555 22533 61769 9785 C30 H24 N4 O30 S2 1 1 1 1 25690 53342 23089 76566 1 42738 1 1 40661 1 7939 37834 1 1089.2396@0.83799994 9400 67778 1 1 1 1 17132 15214 23479 1 11098 1 1 22763 10664 67175 6997 697.5782@0.827 22935 65302 1 1 1 1 22608 21679 25193 1 21082 1 1 23190 17491 63472 19259 nullnullnull0.83 :2 31513 107555 1 1 1 1 32805 35099 52881 1 34364 1 5780 49479 30311 100670 21569 539.7985@0.81099993 65402 5860 33121 18237 12967 16997 51527 85943 81854 5869 56701 43598 59775 78561 95826 7615 46446 C45 H73 O8 1 1 1 64232 1 207861 284816 56414 90242 143791 295436 67406 166781 1 40425 734987 1 460.334@14.056 65489 63882 80754 69033 45554 76344 75141 64933 63659 55845 88697 63214 69399 53278 60985 80694 66533 122.9507@0.816 250502 173520 46541 20007 28371 24323 242674 262618 295412 26486 252131 55874 165167 297294 247483 181017 203471 291.8655@0.79800004 452532 157025 1865739 2642941 3270317 2597729 443775 863218 682098 4279385 520315 3298662 952570 576240 998532 150854 613363 241.9358@0.81400007 50200 164835 1 1 1 1 59646 55149 67739 1 55357 1 20368 76324 52160 169862 35232 156.0243@0.8929999 64596 781303 49462 82398 44703 93444 33382 31574 29356 34364 18829 75221 37508 18325 30938 2058150 27615 Orthothymotinic Acid 61983 66398 61654 61555 57159 63557 57830 59041 58203 61618 62169 62998 59917 56741 63968 64691 63364 283.8274@0.82699996 39200 93300 1 1 1 1 40703 41012 49478 1 40355 9876 24199 49405 41198 83614 32388 417.7879@0.82100004 53221 1 8712 1 1 7203 34513 54454 42496 1 40667 16759 56245 40220 55305 1 45432 C52 H75 N4 O6 nullnullnull15.589997 1 1 190278 49690 99381 611618 487397 60247 174317 166902 358196 1 57130 1 131140 700836 1 Ser His His 55762 56100 53798 57483 56756 51469 47895 54009 53965 56412 56712 49978 59184 55639 59087 57865 59710 C60 H71 N3 O6 1 57805 1 32917 37257 1 493122 222513 152126 210382 525732 1 286102 1 152311 519565 1 C13 H29 N8 O5 15189 15924 54920 20405 15707 29286 16311 14452 15971 17308 16557 15910 18987 16876 24125 18156 17136 "17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone nullnullnull11.64" 18481 22425 41148 39944 75098 88551 91124 90070 81400 69845 92152 93149 18504 44279 92878 76949 57778 C48 H90 N5 O3 1 1 32805 45216 57904 43527 6617 10997 10301 54558 1 52460 1 12010 1 1 1 Adenosine 10924 16571 7922 23585 14807 37650 20527 11918 12132 16642 17618 11859 21214 14579 16388 50932 12041 C3 H2 N3 O S3 nullnullnull0.809 1 67784 1 102113 1 97379 34078 26917 37379 97636 31514 91413 5352 33769 23740 68818 17499 C12 H2 N2 O14 S2 14811 51802 38776 1 1 1 21836 15726 22442 1 20103 1 31942 31326 15785 62867 11158 509.6779@0.83 42683 80689 1 1 1 1 45085 46853 57422 1 46295 1 18071 56759 37720 76424 29931 C49 H80 N2 O12 nullnullnull17.048002 53788 43599 57826 1 52283 106362 185277 79982 36193 113029 366074 119964 117252 1 1 473663 1 C12 H Cl3 N2 O6 S5 49801 1 21882 12313 7234 10193 19328 44970 34518 1 36563 32104 63365 23269 46091 1 39884 C59 H94 Cl O3 S 1 1 26512 44023 53677 43982 1 9500 8068 52149 5632 55938 7969 1 8664 1 1 C44 H64 N10 O 1 1 236516 1 1 132751 93504 44986 41378 58697 127452 19308 44909 1 18899 125155 14991 C48 H70 N9 O7 nullnullnull14.954437 29249 79603 111977 45281 68837 517601 344544 160526 28198 180491 428863 31398 75209 1 12018 859176 54209 Retinol Acetate/All-trans-retinyl Acetate 1 1 23318 1 5888 49838 26591 9084 10769 7913 26540 1 13263 1 14846 8209 1 889.3902@0.8319999 21997 53845 1 1 1 1 26518 21244 34024 1 22787 1 1 36489 20594 58195 14155 l-2-hydroxy-decanoic acid 1 1 13665 10906 8641 18567 13427 8417 1 1 23470 8292 11701 1 9025 21607 9837 nullnullnull0.78699994 :1 41235 1 75440 91755 108173 105677 33993 46848 41007 143283 38802 96987 52403 40737 57831 1 38579 C29 H15 N2 O26 nullnullnull9.459 1 1 164600 1 1 1 89962 119444 1 1 1 1 1 1 24927 179307 23045 1087.243@0.83799994 10384 75643 1 1 1 1 17181 15240 21427 1 12357 1 1 25464 11498 66511 8066 C25 H46 N7 O3 nullnullnull13.587998 :1 269296 201793 327372 28960 31688 308630 53925 32855 256809 217952 95091 39988 18535 162374 331160 52771 32005 529.787@0.81299996 44687 18258 6773 7664 5613 8369 39285 43773 51116 1 41074 20557 17666 55769 50445 10993 31938 C30 H44 N S nullnullnull16.167 1 1 62911 1 1 332663 200634 76336 25403 33077 435207 1 21994 1 1 277764 1 604.5878@0.83199984 30790 48948 1 1 1 1 37715 39096 49938 1 34343 1 8399 52946 34015 49539 21319 Pantetheine 25578 28753 29125 30162 23904 24570 22991 25763 25058 25905 24804 27243 25515 25831 28135 29774 28904 PE(18:0/0:0) 1 1 12354 12021 8965 60993 28776 9906 6283 5989 59352 1 6966 1 1 27529 1 C10 H3 Cl3 N O11 S3 37225 21649 8678 8599 9930 13365 40626 45057 47171 7890 40802 9735 25804 46768 53639 21962 31781 C35 H17 N8 O27 167328 1 14906 68198 18844 42887 35052 80975 100933 37896 85084 59481 43033 64266 25569 44733 43476 Itaconic acid 60042 44867 24499 33998 31298 26195 20419 22164 18505 23473 13405 19008 20547 11524 18406 49628 17164 C30 H37 N29 O7 11574 59289 1 1 1 1 16083 13408 16598 1 12109 1 1 21089 11598 58309 5943 C25 H52 N26 O3 1 1 101919 1 1 137229 134256 86465 31031 33584 123137 28394 59212 1 44188 68683 1 C6 H2 N O4 S2 53995 33380 6877 1 1 1 43375 53635 53980 1 46622 1 30500 58302 50679 33678 37833 461.7967@0.81299996 44561 15954 32447 20142 19128 25389 34767 56208 44944 18635 37704 56961 59649 47676 54068 10301 42648 C25 H13 N9 O21 S nullnullnull4.1792502 609506 1 1 952224 122397 1 1 131401 1 1 84890 1 1 520885 1 317487 43802 1037.2711@0.8360001 15031 64209 1 1 1 1 21657 17125 25051 1 14975 1 1 30290 14585 66121 7738 C41 H84 S 30476 39767 1 1 1 1 33798 41167 43838 1 40755 1 15163 48748 34691 38918 22418 "PI(22:0/18:3(9Z,12Z,15Z))" 1 1 25807 11540 1 79214 42981 15454 12035 1 53987 12492 17124 1 1 28469 16094 C50 H76 N3 O9 36972 48148 189549 1 67947 396042 504358 168066 147958 167725 520411 1 167777 1 1 507719 1 806.6297@13.710003 46965 28730 58070 58300 45639 53637 51727 47685 41524 30584 51479 44918 41592 25329 49533 60000 54181 1005.3186@0.8349999 11610 58722 1 1 1 1 16665 15944 24829 1 15699 1 1 24300 13669 56525 6244 Phytuberin nullnullnull9.395998 882322 920297 888804 889193 897880 886838 840264 871497 842234 882194 910127 916275 939750 931832 943334 944123 877067 C28 H41 N4 O17 1 9260 1 1 7052 22442 19887 13184 12582 1 22371 1 1 1 1 56714 1 C3 H2 N3 O3 36479 30386 33743 34094 42994 42893 36462 35044 38711 30831 39216 51808 30252 34084 45552 32641 45062 C24 H57 N24 O5 32898 18999 1 1 1 1 37470 36176 42425 1 35004 1 12522 47867 33086 27039 24783 1149.2054@0.836 7157 61284 1 1 1 1 13025 12635 21094 1 12336 1 1 21452 10853 51146 1 > limit nullnullnull15.095 1 1 40265 11929 14544 32440 24571 17462 17755 11421 22866 18242 20727 1 12597 14234 23346 401.8389@0.81099993 21473 25321 14275 16826 18826 23552 16468 34427 27749 19013 16572 46738 27066 24580 31603 20125 16018 ?-hydroxyisobutyrate 69466 62102 60416 62367 52683 53929 71261 72399 62313 56408 60499 47189 63275 65387 64312 61593 63952 920.7169@16.625 1 1 166261 1 1 1 245915 136754 1 1 140407 1 129274 1 1 186111 1 C47 H95 N2 O S 5361 1 37139 45379 52615 44734 5986 8762 11645 51023 7727 69059 10196 9577 11531 1 5828 nullnullnull0.83300006 16678 62346 1 1 1 1 19407 15238 21561 1 16233 1 1 30232 14257 60476 9234 C10 H7 Cl3 O S4 43876 84048 143998 113561 112881 63532 36434 47235 45828 27806 39328 109899 61565 52300 45884 83073 31491 4-Methyl-3-oxoadipate nullnullnull1.007 370270 98752 1 48519 47341 41343 148732 46906 87976 173538 87354 42533 65356 194158 153943 29734 25084 C42 H61 N8 O2 19969 56692 1 1 1 1 30315 24599 37686 1 24253 1 1 41302 24343 52689 14614 C43 H50 N2 O3 17961 11628 23801 20402 21705 19886 23549 18503 15060 13301 24301 19858 22379 7465 22419 24304 23832 C37 H66 N29 10451 1 66869 28804 27632 116729 94580 34070 23482 16426 116062 25650 45691 1 17257 62775 26720 487.6731@0.83199984 19907 35751 1 1 1 1 22739 21185 27578 1 24885 1 6276 33407 23186 35372 14329 128.038@0.87100005 47847 24074 131534 224636 144860 226632 30665 37897 11115 245147 35648 165978 121429 27244 56614 42572 42998 557.7893@0.80399996 6082 1 25743 38265 56421 43227 1 6207 6259 74555 9581 49958 12722 9999 12373 1 6594 "PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) nullnullnull10.761998" 349081 529581 327402 53109 112739 929157 8543 639686 282766 261557 8870 199530 269172 66359 175964 524382 198200 C26 H49 N6 O S 1 1 54617 1 1 407941 259717 64183 34902 32851 426275 1 22384 1 1 29500 1 C6 H11 O11 42214 41614 38142 51112 44661 41618 41564 37585 37910 37506 37058 44471 38588 45020 45875 43864 53670 Doisynoestrol nullnullnull9.807001 109684 109329 111640 113301 110996 107097 104901 92112 102736 97079 114238 103698 111698 107311 111396 109687 113963 651.647@0.82499987 13564 53458 1 1 1 1 15396 12345 19505 1 14661 5986 24020 23398 17015 50691 17621 C3 H5 Cl3 N O4 S3 123889 1 63078 49540 53406 54593 89463 132527 107052 50963 105472 113682 106053 83221 120928 1 104560 4-Methyl-3-oxoadipate nullnullnull0.8719998 :1 74790 27446 132332 204546 145474 214205 13900 18203 10708 227479 20822 161762 95754 10879 26895 24149 24983 236.0005@1.22 73656 1 86016 83586 75578 103813 63812 57880 65682 101842 83083 95196 98321 74058 95705 1 89344 C16 H26 O3 S 56815 68012 63585 38414 39386 54685 57669 67788 62714 60429 72339 63653 79984 67675 32760 76928 63308 C30 H41 N6 O7 1 6477 9219 1 1 15553 23672 16498 1 1 53878 1 1 1 1 21353 1 nullnullnull0.8190002 :2 15619 114732 1 1 1 1 25439 17335 29135 1 25160 6475 8254 34378 19918 104386 11787 "3,5-Dinitroguaiacol nullnullnull6.817001" 322381 433686 359142 673858 220363 209578 694352 216846 252290 217699 222616 456627 683835 710216 775654 261668 448763 983.9972@16.581 1 90401 1 1 1 1 260455 104993 143778 1 1 1 1 53117 1 1 32545 C8 H2 N O2 157374 1 101890 83487 93588 89497 136402 140147 135688 85736 120041 86353 302284 126596 106180 102557 98499 nullnullnull0.809 :1 34836 13763 1 1 1 1 30495 45380 48459 1 36357 1 10539 51530 44586 13928 22360 C3 H N O S 11689 1 45022 35628 45923 31518 1 14306 12519 22332 1 30612 13297 1 1 1 14644 C32 H45 O8 9780 1 12159 14350 5994 16280 14427 27638 1 1 53086 14914 1 1 13058 9458 16533 "4,4'-Methylenebis(2,6-di-tert-butylphenol)" 11500 11999 32949 20284 19306 25828 37464 17109 15471 11494 63375 11855 23587 9353 19199 14196 13965 C17 H23 N8 11210 12267 21819 18657 14611 34898 31971 12010 10749 20935 41533 13156 23910 13889 15886 20219 10775 C26 H24 N4 O27 S 16471 1 24875 45827 33459 48774 9979 5746 8964 52341 26969 43120 35723 14158 36246 1 34125 878.6688@16.828001 1 1 225383 1 1 1 1 151242 47772 94129 1 1 155491 1 67421 329001 1 617.7203@0.81400007 49082 45008 37001 45772 55298 50498 29236 47733 41457 66889 32617 63770 49915 43381 50651 50658 31065 C48 H75 N9 O9 nullnullnull16.811079 1 99427 1 47584 103620 1 527296 162244 207422 273474 532206 40813 263767 1 169950 678439 80821 L-Lactic acid nullnullnull1.2390001 :1 1714128 2101318 717383 963335 1734178 364155 1243848 1091945 1181122 457642 609422 716494 767870 1197588 51054 3576855 1084022 C51 H87 N2 O2 S2 nullnullnull16.190365 1 1 78078 1 18434 409383 479357 131860 50007 50681 396867 19843 32706 1 1 409405 1 1121.2256@0.83300006 12006 53731 1 1 1 1 17643 14635 23291 1 12546 1 1 28189 12086 53304 6319 Nonate 47775 49812 45643 47510 46306 43763 46035 47833 40953 40454 43480 41253 44238 45431 47745 56671 48179 C36 H63 N14 O2 23243 55682 1 1 1 1 31845 28321 41804 1 33644 1 6938 47494 27440 52788 18034 nullnullnull0.82100004 45030 7466 17968 10903 6196 9808 25409 41432 32901 1 32286 27851 52246 19853 40185 1 33865 C26 H47 N14 O3 32001 29898 52203 32159 28214 35323 27840 28746 27961 31328 29682 30316 32114 33909 36585 32186 33762 Aeruginopeptin 917S-C nullnullnull16.175001 :1 28979 45310 99943 32586 49025 328337 265076 146605 86905 63500 390372 51752 75750 1 38304 273362 42470 C13 H Cl O2 S3 42059 36465 86122 112377 145959 145890 11198 17260 14117 232226 15108 135327 41902 11584 27710 39264 1 C47 H71 N3 O7 nullnullnull15.987 :1 40100 24252 204484 20478 31333 200447 355341 124847 141132 113497 374807 70866 149332 1 82796 527703 84314 "PE(20:2(11Z,14Z)/18:3(6Z,9Z,12Z)) nullnullnull16.608 :1" 141289 322787 818719 203154 227754 1880568 1913240 714702 354161 748658 1670992 403094 904067 1 321872 1948893 350479 C45 H82 N16 O S2 1 1 11481 16009 16594 18656 1 7256 6114 13287 1 51038 7361 1 9585 1 1 C14 O18 S2 7817 47691 1 1 1 1 10687 9004 13471 1 10461 1 1 15875 7576 44903 5443 C39 H83 N2 O2 49175 26734 1 1 1 1 41072 51255 43596 1 35916 9770 28770 40765 48658 23123 39676 C19 H N O10 17322 1 24776 30501 24007 33030 13943 8863 17177 22251 30499 33065 31316 27393 34568 1 36902 "17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate)" 28413 33318 37851 36287 42040 42120 53755 39358 24611 40372 42426 37036 55518 15941 33547 39316 48243 C37 H19 N5 O28 23759 63953 20578 24938 25987 1 81261 26164 1 46847 136057 156546 25842 159714 15407 41777 18284 nullnullnull0.8119999 :1 11180 56189 1 1 1 1 14663 11216 19495 1 12513 9814 1 19565 13062 50500 9658 PGI2-EA 24781 53897 44364 15311 59005 132171 1 35365 41985 25896 174870 41922 24660 1 1 126245 27626 C46 H78 N O11 1 1 228548 104018 1 592355 542182 164196 1 169112 648315 1 1 1 1 795981 1 C7 Cl2 N O3 S2 36731 1 44108 25235 19367 15452 22810 30352 15799 6465 27529 36966 54854 17509 32319 1 33264 2-Hydroxy-5-methylquinone 50216 45471 44840 31108 39011 40141 35549 30803 33839 38592 41038 35173 36964 51531 41668 49295 35246 825.5055@0.82399994 12011 50431 1 1 1 1 1 9877 12338 1 6473 1 1 8778 11559 43993 1 C12 H4 N6 O9 47244 1 14395 17414 19805 16944 16640 11981 22166 10904 13212 14154 16879 11786 21711 1 17037 "PI(22:4(7Z,10Z,13Z,16Z)/20:1(11Z))" 1 1 10119 13753 13069 14290 1 8331 6903 8608 1 45111 7083 7664 9450 1 1 663.5469@0.8330001 25741 47559 1 1 1 1 37347 32641 49586 1 37470 1 14256 57163 33144 44139 21375 nullnullnull0.81700003 1 48044 1 1 1 1 6364 9639 9568 1 9073 7136 1 11645 7599 47691 6625 "(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol nullnullnull8.676001" 313212 297187 302836 304824 307799 280072 279960 287232 292246 313809 301776 289727 320523 320691 313574 328380 321511 > limit nullnullnull0.83799994 :1 11195 68719 1 1 1 1 14729 12429 20389 1 14379 1 1 24791 11662 62481 5815 382.7374@0.831 25750 56763 1 1 1 1 27760 28169 38749 1 25405 1 9865 34508 26035 52533 19876 > limit nullnullnull15.0700035 11531 1 31811 20277 21897 53133 55975 19536 19989 22138 66408 20147 29223 1 17443 25992 21285 C3 H6 N2 O3 S2 nullnullnull0.81099993 70878 397282 1 1 1 1 88843 160163 27569 1 85565 1 40530 140853 71395 83847 55940 C43 H73 N3 O 41497 1 1 1 1 1 39193 43227 52852 1 40491 1 15382 51255 38637 19288 29474 471.8045@0.80799985 54399 8628 22229 18834 17466 15198 28374 71872 52523 9796 52971 45747 57875 32639 99590 1 55234 C26 H49 N6 O S nullnullnull16.173002 1 1 52541 1 1 385100 340700 69089 35666 32851 429386 1 23277 1 1 218621 1 C17 H4 N O21 S nullnullnull13.406999 11612 9919 16583 26364 18621 34707 34292 19231 13113 12786 17377 1 11722 9848 8496 21567 6347 C48 H75 N6 O10 nullnullnull16.900665 124731 299760 1 322701 337822 1 1 1279635 588489 882666 1 391605 1435248 1 811386 2081159 353714 C48 H71 N3 O9 1 43188 147213 26258 1 265145 297804 115412 39750 114940 248248 59460 147969 1 44763 263573 48638 C18 H2 N2 O18 45014 52214 32240 54066 41185 92182 78003 20796 94452 62037 47450 30012 56378 55698 72957 46832 41752 764.5829@13.710003 29573 16530 42537 41052 33131 40462 38112 33566 31423 21498 41656 36307 34265 16375 38279 45880 39959 503.7656@0.81299996 39873 68952 12308 9492 9095 13530 35442 37896 47158 7189 35394 11695 23273 46353 37810 62137 20211 C23 H8 N O25 S3 6229 1 17352 9361 10547 15751 15966 8437 10405 1 26955 10294 12558 1 15395 17908 9992 C7 H N S nullnullnull1.045 83885 56356 75718 84512 77110 81012 56355 73942 35807 80710 68355 88462 91790 78470 82487 18050 81307 C54 H68 N14 1 1 26925 14237 15790 36842 27216 8939 1 1 46770 1 10999 1 1 10210 1 C16 H2 N O16 S2 34487 26335 1 1 1 1 32912 39185 46777 1 37104 1 7139 47787 39382 26858 22190 nullnullnull0.8119999 :2 49886 141672 1 1 1 1 49137 46783 59614 1 47133 1 16468 69818 47398 147967 28139 Dibromoacetic acid 40983 57585 9707 7358 6244 7577 51466 45569 50566 1 45125 17894 31779 53915 46907 55973 43017 "17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate) nullnullnull10.067999" 25436 30559 21352 50083 21896 24463 32805 22131 15177 18788 25038 31039 39369 19404 28480 31742 29356 C21 H25 N10 O16 32492 29492 41952 26901 28535 26773 45017 35096 35925 28303 32089 24185 35901 27450 41464 20288 41460 C30 H41 N11 O2 1 1 439878 66344 74459 221021 383813 51967 86837 16610 561737 1 122469 1 166345 1 1 C36 H62 N13 O3 18354 18266 47781 17768 17285 22908 14747 16648 13967 14643 16058 15269 18862 17531 22116 19081 19569 Prorocentrolide 6910 1 19490 11400 10532 23977 18127 19040 16232 9870 16327 14861 18703 1 6843 17771 19673 495.8254@0.816 19326 59899 10570 15990 19259 11448 26332 21969 28907 18129 21293 8008 1 24610 14561 56143 9442 nullnullnull0.808 35645 1 1 1 1 1 25621 46666 43883 1 37643 1 12824 36915 48451 1 22576 947.3518@0.83300006 10753 48097 1 1 1 1 15221 15282 22581 1 16282 1 1 25586 12164 46306 7766 Undecanedioic acid 45934 45144 47270 41282 43206 48176 48188 47753 47514 39930 45257 40519 45534 46862 47998 45519 48134 C44 H61 N9 O2 15604 47446 1 1 1 1 22027 17187 29811 1 14777 1 5879 26205 17089 46366 13491 C29 H15 N2 O26 nullnullnull11.395001 321700 1 215384 91542 1 1 379812 92933 90534 98145 1 101567 1 1 1 215630 167027 C32 H20 N6 O29 S nullnullnull14.191999 1 1 114682 1 1 1 1 60086 1 211956 1 138420 1 100367 1 1 1 Ellagic acid 108914 77245 85254 78558 138069 66616 71236 82837 86076 73018 68869 71239 120402 73588 57138 69020 71133 C50 H79 N2 O16 43687 104815 1 117941 131913 1 1 465655 235912 317491 860196 139879 574745 1 276860 825247 1 C52 H75 N4 O6 nullnullnull15.589997 :1 1 1 74955 49696 99381 611618 486660 80618 174406 167637 338252 1 54405 1 111257 710424 1 C29 H15 N2 O26 nullnullnull11.453001 359022 1 319632 1 250954 1 649352 60670 1 1 1 1 1 1 1 297212 199714 nullnullnull0.837 11368 63320 1 1 1 1 20091 18789 24414 1 16652 1 1 25491 16538 59606 12309 C11 H7 Cl3 N O2 S3 9304 45024 1 1 1 1 12338 10153 14462 1 11025 1 1 13516 7226 40853 6634 C9 H2 N2 O5 S nullnullnull13.707 80063 25042 62746 77757 37675 44087 40830 14434 54394 64880 69104 33308 16290 1 179975 41839 35665 "PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-16:0)" 1 1 1 276697 305377 1411283 965090 591341 468592 417268 1143591 149996 350381 1 117018 2715381 165308 C54 H80 N3 O10 6209 1 31307 18027 16069 41005 27663 13424 12441 8328 29480 10434 17704 1 8225 17764 9151 HC Yellow No. 4 43766 60743 54640 58255 47529 49159 45505 46385 47569 42957 48540 40595 46796 43337 44221 57874 46274 nullnullnull0.831 21832 35260 1 1 1 1 26124 23256 31475 1 29146 1 5520 36779 24055 34498 15239 C10 H6 N2 O6 S 70512 1 81012 80037 72366 98452 60992 55926 63535 98901 80436 91892 94478 71233 92984 1 86629 C40 H74 N17 O2 nullnullnull16.837 1 43761 1 38481 55327 1 1 192990 94388 176494 1 56167 234876 1 141497 1 1 597.7661@0.81099993 24731 1 1 1 1 1 29950 33465 41565 1 25046 1 19063 41532 34200 1 26000 C52 H108 N7 O S 10903 1 8780 12141 8362 14351 13787 6605 11653 1 16656 8696 11279 1 8728 11340 8682 C16 H21 N6 O 107497 102571 110118 110307 110659 91538 108855 97826 97007 99220 99676 96556 109479 101528 113806 115757 77831 824.4169@0.83799994 7063 46671 1 1 1 1 12423 9449 17467 1 8915 1 1 16063 7130 44461 5712 nullnullnull0.85900015 146610 1 263310 267488 384473 266347 206260 134729 139333 233363 262036 420107 211491 196527 196528 120802 212131 C9 H2 N2 O5 S nullnullnull1.116 33046 1 63526 65725 63294 54013 11935 51879 1 53814 59499 67618 69202 1 1 1 1 C39 H78 Cl N O S3 1 34330 1 1 1 1 17753 12781 14178 1 11986 1 1 19615 8345 34114 1 939.3724@0.831 17802 53249 1 1 1 1 19349 22829 24362 1 22247 1 1 27156 16638 35240 13399 nullnullnull0.8119999 :3 33043 32721 1 1 1 1 30938 37113 41296 1 36082 1 6433 47060 35528 30413 21715 C46 H71 N9 O2 1 53152 1 53171 45365 1 1 142329 104301 172703 1 67993 78511 1 161039 1 59251 C29 H39 N7 O18 1 8055 1 1 1 18710 17094 11877 9527 1 18096 1 1 1 1 45257 1 "17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone nullnullnull13.708002" 13720 6578 21856 21966 19661 25453 27077 18595 16242 12405 30249 20195 21611 8007 20137 27666 21431 Propanethial S-oxide 50803 49088 39973 38219 38211 41516 37696 37328 40241 30831 30050 30782 33794 29996 36930 47074 37871 175.0316@0.8979998 77081 43264 34154 42288 40259 27641 34971 35592 32046 21612 23770 22620 29901 22042 33661 22622 32918 C30 H36 6747 1 12281 12098 9134 21185 20294 8509 1 1 32050 10424 11313 1 9134 16874 9871 348.0108@0.8640001 10190 1 33924 63931 34632 68657 8290 30067 11200 47361 31626 61775 49291 19197 48785 1 47813 92.0364@1.2409999 32541 35860 11646 13161 20911 1 13620 33224 15282 1 7916 8328 9572 18200 44432 27204 12829 Gal?1-3[Fuc?1-2]Gal?1-4[Fuc?1-3]GlcNAc?-Sp 1 47177 1 1 1 1 10007 8045 11181 1 8869 1 1 16437 7478 41953 1 C48 H77 N5 O15 nullnullnull16.901 43986 99918 1 117941 131913 1 1 480029 235912 330070 1 139879 550225 1 287607 1 141987 Isocitric acid nullnullnull1.2159998 1.56E+07 14847 2.11E+07 3.66E+07 2.60E+07 3.95E+07 9810161 7596079 1.03E+07 4.14E+07 1.97E+07 3.39E+07 2.75E+07 1.23E+07 2.50E+07 38209 2.42E+07 C42 H69 Cl3 N5 O 5983 39506 1 1 1 1 10700 7805 12675 1 10065 1 1 16041 7464 39268 1 > limit nullnullnull17.415003 1 1 1 1 102912 183202 123661 103093 99773 69038 154930 119164 136895 1 69302 77194 102269 C14 N S5 36196 17744 35758 47592 55367 50782 14368 34954 27074 60515 27869 70331 24977 39265 52256 13992 29388 C22 H6 N O26 nullnullnull13.406999 19722 18285 54186 32369 41443 97018 79129 23333 31072 29235 39010 18705 41065 18281 24116 24720 22044 1147.2043@0.8349999 9395 57764 1 1 1 1 12463 11762 17339 1 10784 1 1 19078 10375 55473 5664 Doisynoestrol nullnullnull9.807001 :1 109684 109329 111672 113301 111085 101932 99202 92112 102782 97180 112921 103698 111206 110139 111396 101589 113963 Oxychlordane 28117 41158 1 1 1 1 27108 28809 32130 1 23845 1 14283 33462 23733 34427 19329 116.0271@1.2479999 39389 43476 29538 27752 36631 17443 32845 30357 31773 19300 19541 23332 21906 29219 20834 48344 28304 C4 H4 N2 O6 S 59004 51604 52439 53967 51702 52824 23676 15479 74686 46537 63458 47435 181990 29242 20151 47531 68791 C4 H Cl N4 O4 S2 38836 12501 8131 1 1 1 27869 38504 36414 1 26871 5677 19750 37153 34920 11441 21088 177.9142@0.8339999 460862 82437 460241 372961 370241 360761 405312 471026 374507 277126 449779 609246 654035 352486 461840 83057 532719 C32 H20 N6 O29 S nullnullnull13.886999 1 1 267750 222564 175227 1 104275 118995 247594 87209 1 1 287149 120070 1 371545 41011 Thiazolylethylamine 82031 33782 132681 224636 144583 208990 21122 37897 9556 227104 44238 167366 121429 27931 56614 29158 43155 C14 H Cl O11 S5 39563 1 32564 17768 12967 16686 38756 78889 72523 5869 40237 45948 53991 56389 91869 1 44637 429.8105@0.81299996 38667 43422 12393 9833 11773 10154 34657 45725 48945 9825 38097 17036 28774 46550 42684 39470 27935 C22 H6 N O26 nullnullnull13.708002 14029 7911 39594 23176 35217 46786 33746 21325 21045 13311 27626 17483 15850 9454 24850 18529 10936 nullnullnull0.79399997 264770 178038 484815 525189 608330 582056 270637 351784 341045 894876 310068 605811 337688 323200 382887 184528 311413 699.5707@0.82600015 12055 28229 1 1 1 1 11768 17311 15198 1 14392 1 5418 18307 17068 31416 8483 603.5891@0.8330001 21669 45142 1 1 1 1 26760 22493 30954 1 23215 1 5846 36942 22305 45937 11882 nullnullnull0.81099993 :3 32824 16817 1 1 1 1 30085 39105 42248 1 33203 1 9305 42010 32930 14694 19569 C17 H39 N12 O9 21737 9915 18592 18177 12874 27605 24634 36295 22841 11913 41711 25196 19185 30988 28078 16289 21936 577.6659@0.82400006 44366 83155 1 1 1 1 38658 45355 53175 1 40928 8168 24201 48993 40575 76494 36318 C56 H96 N S3 33064 19433 41567 39722 33112 34504 36715 29847 28553 21296 36067 30486 32859 15969 37459 39173 37363 "PG(20:1(11Z)/22:4(7Z,10Z,13Z,16Z))" 1 1 1 1 1 1 1 282917 151138 120920 726927 104179 151176 1 71819 530785 88295 563.8113@0.81099993 71690 50753 76716 43661 30520 1 33231 35257 42633 1 26353 1 1 58048 65351 47405 37192 nullnullnull0.802 :2 11386 1 66791 102489 131439 112225 7707 25855 18748 173589 14492 210873 26305 11397 39857 1 16521 C24 H45 N8 O4 1 1 101700 1 1 132878 128677 148917 11135 1 147226 1 1 1 1 116840 1 415.79@0.8269999 76340 20007 13255 8181 5887 8489 52681 67207 66532 1 62612 26396 58325 63423 67424 21173 55333 C32 H20 N6 O29 S nullnullnull8.525572 1 27805 1 343019 1 1 22536 105725 34392 1 1 59551 18270 1 1 1 1 C9 H19 Cl3 N8 O2 S5 20600 43180 1 32867 1 46477 42622 26279 1 24637 54757 29662 43021 92424 16880 21889 1 487.7802@0.8149998 27973 35575 55316 66382 76728 74373 24239 32875 32256 75085 26699 124457 34723 35704 36150 33264 22241 nullnullnull0.89700013 8949 1 17513 14678 16671 8304 14630 7330 11228 5873 16823 10189 15550 18297 19226 1 18704 C9 H2 N2 O11 S2 18751 57872 23309 16204 11930 11106 18458 16648 22440 1 16791 12179 10132 25413 14789 57491 12122 C35 H53 O9 1 23686 34160 1 7884 17833 39416 35792 1 19096 39326 7329 1 1 10668 25080 17312 C8 H3 N2 O11 S 1 25684 17487 36814 20584 23178 19361 29264 24430 195177 21842 11724 27985 1 12228 25022 8166 C31 H55 N6 O29 7132 34811 1 1 1 1 11375 9557 12281 1 10317 1 1 14457 9748 30496 1 C4 H4 S3 nullnullnull0.9040001 216261 57146 222573 189328 69994 195710 60124 35894 43001 185462 59901 192401 88578 87290 61613 61433 66325 C28 H58 Cl3 N19 O4 S 23658 42053 1 1 1 1 22937 22370 29480 1 23536 1 1 30888 17609 43611 12038 C22 H6 N O26 nullnullnull12.8359995 1 1 18778 8576 29667 99561 85349 28800 27652 1 34501 12308 19238 1 13902 12661 8244 C18 H34 N7 O2 1 37969 1 38227 40137 1 54035 128282 59740 78976 60097 1 113778 1 1 143800 1 Phytuberin nullnullnull13.699998 144024 75616 182208 174337 179480 195616 13924 164735 153528 112072 29081 175832 186470 58718 181277 16573 198653 nullnullnull0.837 :1 22122 78368 1 1 1 1 31552 24432 40824 1 29950 1 1 42809 22700 74433 18586 549.8575@0.81099993 39340 40772 1 1 1 1 45270 44119 59393 1 44823 1 8348 63774 50536 42189 28637 Adenosine nullnullnull3.1300006 35952 43017 34717 52133 35538 22934 37512 32634 31981 33461 32415 30778 36615 35058 38726 48249 30949 Diisobutyl phthalate 23038 34712 38958 38770 32199 27925 26226 24373 22992 20028 20506 20910 21918 20786 21063 22032 20051 441.8337@0.81700015 73246 42905 27990 14867 11889 13955 51728 69901 68456 1 54526 36744 62619 63876 66276 50392 54709 C48 H75 N6 O10 nullnullnull16.903387 124731 299760 1 322701 337822 1 1 881022 589514 869600 1809875 391605 1435248 1 812254 1355559 296715 C50 H76 N5 O13 nullnullnull16.168 97389 130769 324856 99324 152594 1053949 869275 442609 245475 190902 1149574 163522 237394 1 116576 898697 143014 C41 H89 N4 O2 17772 48604 1 1 1 1 12111 15746 16861 1 12894 1 13619 20141 15159 47601 11312 nullnullnull13.645998 1 1 1 1 27801 1 9656 35821 1 38548 13075 1 1 27619 64602 19188 8404 C48 H75 N9 O9 nullnullnull16.851456 1 99427 1 47226 103620 1 1 162244 207422 273474 1 56535 263767 1 169950 687066 80821 887.4005@0.831 16184 58009 1 1 1 1 23263 20945 30387 1 22953 1 5354 31255 19635 53918 14590 > limit nullnullnull16.175999 1 26947 62898 1 24551 208420 195367 93919 51470 35234 227486 28105 44454 1 1 223500 23739 C34 H57 N8 O2 35730 35518 45345 44991 40043 28713 28724 39279 38164 35980 22055 36692 41480 33055 39215 28084 39574 C45 H95 N3 O2 S 27091 1 33820 24739 15801 19902 17443 28546 26825 8022 21605 54867 38474 21852 35428 8051 19457 679.7201@0.81299996 27821 47343 31560 33155 34087 28525 17370 24869 22185 34371 23905 48237 34523 17460 30580 43088 17384 C18 H26 N9 O S 12130 106571 1 1 1 1 9622 10218 17859 1 11419 1 6172 36719 12091 110088 9357 755.5358@0.824 17600 42095 1 1 1 1 12298 16238 14856 1 12481 1 7309 12251 11218 33728 12261 C25 H42 Cl N15 6961 1 1038657 154282 171567 529699 899086 134361 212556 41395 1327202 1 295523 1 406435 1 11267 Endosulfan 31034 1 5943 1 1 1 25031 56785 43208 1 37340 20426 32024 37542 67241 1 35113 Avenacin B-2 1 46599 1 51245 53062 1 334978 212794 98184 146802 354440 62960 247658 1 1 338969 1 709.6035@0.823 18577 38846 1 1 1 1 18981 18609 17133 1 17878 1 14501 15879 14866 41038 19287 Tetradecyl sulfate 22910 15095 13256 12808 15053 23731 19211 20206 13308 12218 21189 13867 19010 17797 26512 13363 20232 PD 173074 nullnullnull14.264004 197639 172617 189866 236634 182439 96255 194825 192017 176379 200402 174576 186823 190807 217026 188570 210395 202490 nullnullnull0.831 :1 10610 46321 1 1 1 1 13740 12041 19196 1 12376 1 1 21622 10674 41691 7693 219.9395@1.335 1 188645 1 1 1 1 1 130160 1 1 1 1 1 141781 1 1 1 C47 H71 N3 O7 nullnullnull15.987 :2 40100 27940 204484 20478 31333 199532 354018 124847 143405 113497 392568 70866 149332 1 82796 527487 84093 C49 H85 N5 O S2 nullnullnull13.714997 68661 17332 52374 522923 257814 37299 23200 103496 17917 156663 31815 53221 35045 48422 21329 44085 299135 (2'S)-Deoxymyxol 2'-?-L-fucoside 16844 15367 40630 15625 13389 23465 12448 15350 14715 15145 15813 15046 16996 16916 21965 18591 18685 956.9771@4.622 57077 1 1 14381 1 99985 1 28442 1 77334 1 1 1 1 1 12807 1 Neoilludin A nullnullnull5.886001 18627 20461 21490 21699 18749 22835 34123 23737 14990 23486 25573 19784 30462 10976 18135 26440 26089 nullnullnull0.8070001 10220 1 16465 15898 14902 18504 5452 13715 13991 14497 9912 37714 16107 5650 21643 1 11010 C17 H4 N6 O9 36851 1 20026 22599 32303 16442 9783 8154 15719 17630 9519 19933 16141 10050 16903 1 11126 Neoilludin A nullnullnull6.150001 98737 112491 106784 99253 110623 116554 184817 137613 88053 121661 139656 129022 158120 66724 104441 136535 154139 C47 H71 N3 O7 nullnullnull15.987 :3 40100 27940 204484 20478 31333 199744 354928 124847 143405 113497 376558 70866 149332 1 82796 525179 84096 681.727@0.81400007 38327 28335 14137 9774 7770 8448 31612 45491 43977 1 32405 22994 25029 43803 44485 21085 20315 Nabam 24949 13295 1 19898 1 13008 15024 17805 16117 1 17436 13438 80528 16414 15853 22559 17605 715.6389@0.8170001 19146 40589 1 1 1 1 15130 20452 8713 1 16786 7217 14332 15802 16372 38043 17128 > limit nullnullnull0.83799994 :2 6464 34131 1 1 1 1 9014 8540 12441 1 7163 1 1 13336 6688 31391 1 Hydroxycitric acid 28959 16100 9988 13093 12898 13875 11575 14009 17118 18153 8252 9886 8114 10739 13859 14468 11165 949.3551@0.8319999 13616 36277 1 1 1 1 16784 17067 20163 1 17000 1 1 32887 14378 36672 9014 89.0163@0.9049998 12622 12820 14126 20140 12674 20708 8106 11332 8597 20214 12071 10639 11041 1 11815 7975 7752 C8 H5 Cl3 O9 S4 40522 1 27119 15477 11328 13955 22048 35798 28636 1 27719 35111 49596 26738 36079 1 33904 C9 H4 N O10 S 1 1 13004 19098 11406 20394 16514 7070 1 1 32520 11655 18602 1 8515 16446 15549 Lys Arg Arg 20117 11927 24058 22150 23778 27268 26307 21664 22489 16814 28548 25146 25455 10983 25506 29436 26651 nullnullnull0.8349999 9875 39628 1 1 1 1 14342 12735 19821 1 13356 1 1 18893 9339 37498 5830 693.523@0.834 19331 24384 1 1 1 1 23173 19117 30204 1 22437 1 1 32657 20612 34164 12218 C27 H39 N9 O22 1 7083 1 1 1 14934 12998 11315 8299 1 15397 1 1 1 1 37509 1 C46 H59 N O3 S nullnullnull16.248999 1 1 124032 16027 15405 59107 116095 11708 22305 1 151785 1 35550 1 34199 1 1 C14 H Cl3 N2 O7 S5 30883 13895 21722 16291 14203 15685 25725 31499 30922 11509 30340 34567 30396 38651 43147 17808 22445 183.9954@6.474999 111371 662448 685800 740629 500597 517989 458309 421655 419748 410779 428764 426640 420199 425509 433837 415769 411843 C25 H41 N12 nullnullnull16.101 26515 33827 80011 35643 31638 1 88859 101400 66198 1 148288 17072 1 1 1 1 1 C11 H10 N7 O7 S 35753 1 1 1 7082 1 9931 6326 15465 1 6191 1 6668 9695 11759 1 7865 C9 H5 Cl2 N O6 S5 18714 1 14098 13678 17079 15634 11813 27138 22178 17593 17501 37741 23191 16010 28911 1 16694 > limit nullnullnull16.82 1 1 1 39182 1 1 264566 158624 79917 114793 283557 1 193967 1 98843 308276 1 nullnullnull0.831 :2 7006 37167 1 1 1 1 9456 8699 13262 1 12225 1 1 16311 9934 39283 5297 C34 H52 N14 O 32260 30123 33363 30474 24758 22247 20086 23598 20709 21872 23075 22309 30428 24596 27453 27808 26039 1091.2388@0.836 1 41120 1 1 1 1 10272 7368 14360 1 9754 1 1 16015 8028 43878 1 nullnullnull0.8130001 26086 30425 1 1 1 1 26602 26990 31614 1 26479 1 1 36908 25191 30912 17949 C18 H3 N3 O15 18527 111756 74349 80495 51218 74329 101020 90250 76296 19738 102361 91489 97704 15735 91013 46377 114291 C21 H N O15 S 1 1 13535 16336 8896 21932 9437 9192 19172 1 23944 9267 7309 1 13398 12388 7269 C28 H9 N9 O21 nullnullnull10.617601 21514 31762 1 1 1 200333 1 45228 1 123182 1 1 36373 53769 13963 29697 65126 nullnullnull0.812 :1 22170 1 20089 17809 13015 11970 11780 22183 18690 1 11776 32427 24373 14342 17188 1 9324 1323.0579@0.83799994 1 36183 1 1 1 1 10112 6532 12622 1 7445 1 1 12597 5802 31975 1 Rishitin 36143 36854 39119 36594 36977 34436 32602 35378 35034 34007 34943 36472 34318 35588 37719 36059 34857 C22 H6 N O26 nullnullnull13.408001 25359 10660 57516 33774 40804 96182 75823 26280 38865 32410 41767 10764 29481 39097 24533 24480 22535 C3 H2 N3 O3 nullnullnull0.8100002 31258 67789 21527 1 28754 1 39845 22127 16352 25506 28002 23917 6443 88751 26893 37029 12180 255.9174@0.802 37936 1 57588 46783 44221 32980 105952 38313 142711 21199 43918 60981 127559 93294 80862 1 85902 C46 H79 N5 O S2 nullnullnull16.601 1 1 75044 1 1 110715 84763 331379 1 1 109576 1 78511 1 1 62243 1 "cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate" 49912 50790 57138 63848 53052 63946 58569 49645 48185 47013 68795 67241 68515 20444 72934 64552 67744 C17 H2 N O19 S 18273 73012 40716 89403 85571 24615 25876 30304 72178 21170 38041 78267 26175 69225 40305 22171 45260 C14 H2 Cl2 N3 O2 S5 123371 1 25041 14221 10140 15425 80983 113670 93385 1 95952 47532 96733 84508 108538 1 96360 C3 H7 Cl O S3 19840 1 17333 12588 12621 9780 12640 21066 22760 7245 16216 20793 18597 19251 23198 1 17950 4-Hydroxyethinylestradiol nullnullnull13.089 6875 1 11910 8375 23814 24054 18302 6952 5718 1 26260 16780 8730 1 10743 16431 7475 C49 H85 N5 O S2 nullnullnull16.166634 1 1 87056 1 23801 400694 414874 131860 51153 45252 387269 21306 32706 1 1 248520 1 X-206 1 42485 1 1 48702 1 1 50553 77149 92136 256301 1 125833 1 82045 318484 1 177.9859@0.90299994 27980 23037 20377 23748 14167 12222 22368 19268 20874 7267 19377 10426 63828 17030 17761 29827 18412 "1,3,5-Trihydroxyxanthone" 25390 18020 8260 11641 11471 7143 8532 9382 6933 1 1 1 5982 6110 7527 27210 7715 C40 H75 N7 O 36570 16125 1 1 1 1 32412 37904 38145 1 30658 1 20101 36723 32342 20081 27863 nullnullnull0.809 :2 5742 1 7866 11364 12675 14553 1 7867 1 13551 1 32613 8699 1 12323 1 1 C30 H47 N28 O3 S 22429 30505 1 1 1 1 28802 27974 37476 1 26769 1 6221 37720 24750 34474 16779 PG(12:0/19:0) 11611 35385 1 1 1 1 20110 15442 22785 1 16018 1 1 23499 14637 37713 10988 Flupropanate 1 1 1 1 1 83617 398181 102506 54091 51260 60200 1 128396 1 71874 118445 1 nullnullnull0.89999986 :1 14072 1 24643 27668 23764 24865 13631 10445 16147 23372 29723 23758 26036 24746 26387 1 30047 C55 H69 N4 O S nullnullnull16.608 1 43188 146951 26258 1 265145 275969 115412 39705 115132 245473 59460 148257 1 44763 269319 48638 C18 H30 O3 S nullnullnull13.087998 1 1 8193 6777 7247 23891 12238 7787 1 1 25885 10491 7501 1 7334 12882 1 C9 H Cl N S5 20636 15272 9411 1 1 1 16455 19409 20823 1 17349 10512 20044 20665 21974 17140 16133 661.551@0.83300006 16343 33340 1 1 1 1 22386 19934 29403 1 19615 1 1 33286 20998 33405 12958 C32 H49 N2 O S 32668 32566 19954 88780 15407 44138 16060 28545 18186 40221 42998 99728 25486 30235 26810 91611 29161 C35 H17 N8 O27 nullnullnull2.9659998 178749 1 1 52085 1 32002 38094 80960 29133 37917 60216 45169 52566 70599 17806 31873 21818 C32 H20 N6 O29 S nullnullnull13.832 1 1 269090 212589 169873 1 94895 264616 248467 1 1 272638 285801 122189 1 89725 110863 557.7223@0.8220001 50958 81363 13791 8690 1 1 37501 51250 46257 1 42149 26429 48704 42136 48128 76605 40124 C33 H41 N3 O2 20234 22591 35095 28872 23427 28645 23176 23146 24598 22498 23254 22934 23973 24713 26473 25109 25650 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull10.565 1 18863 61069 21913 1 294104 1 32315 1 64190 1 1 9687 40063 1 188409 1 398.7386@0.827 14890 25831 1 1 1 1 15079 23972 22402 1 23080 1 7140 23874 21645 25008 13721 nullnullnull0.82600015 :2 74192 9032 7991 1 1 1 60328 73997 77006 1 68215 16456 48020 68437 69432 21334 58865 257.8871@0.82200015 71752 66007 89101 54800 45441 38562 52785 59650 51201 19012 48876 75621 91663 54779 62533 62728 60933 C16 H7 N2 O18 68103 43261 63642 64388 79368 32203 80862 88361 17646 70122 91006 87218 82698 74938 82180 118946 48210 C13 H26 N3 O14 29092 29406 27082 24720 22523 22139 22310 25932 26050 23591 23477 25956 25693 21780 27591 24250 24607 C13 H4 Cl2 N O8 S5 35108 27028 8490 8722 7418 1 28789 35559 41280 1 31505 14294 18636 41111 35356 25655 21629 C9 H2 N2 O5 S nullnullnull0.80799985 128829 509488 138513 131779 127498 122988 163098 133170 180858 124393 148641 121873 50132 213914 110672 552267 83548 C42 H73 N5 O7 S 1 1 1 40615 33582 237131 140889 51662 35275 1 110669 1 1 1 1 271042 1 1321.0585@0.83899987 6149 37320 1 1 1 1 8926 7830 9982 1 7964 1 1 10190 1 32395 1 460.3343@13.727001 60206 60152 71265 65094 55280 66866 57564 61091 64222 54661 59014 71182 71762 54469 69851 69238 63940 > limit nullnullnull0.809 1 1 16809 21793 28628 23354 1 5502 7404 28363 1 36041 5612 6884 8915 1 1 Dihydrocodeine-6-glucuronide 16923 17379 16936 15085 17564 21940 25103 21648 13646 22219 25325 19897 26880 11261 18525 22210 26429 C7 H Cl3 N3 O2 S5 nullnullnull0.82000005 29101 115573 1 1 1 1 33634 31736 39550 1 31828 1 10483 43808 28586 117119 19153 2-Benzothiazolesulfonamide 27180 27168 19809 16779 19672 20251 18045 26384 21258 22514 19393 17955 16029 28447 16003 21319 17019 nullnullnull0.81099993 :4 22474 42528 1 1 1 1 9470 26631 20047 1 21142 8114 20233 14835 36321 36729 19781 4-Methyl-3-oxoadipate nullnullnull2.9690006 291179 291353 18064 245063 279145 261299 245290 241113 291052 289296 330062 256776 274465 327804 267631 292768 263843 Deamino-?-keto-demethylphosphinothricin nullnullnull1.8960001 44486 47113 43472 41982 36052 32636 43325 67057 43398 42901 41111 54755 47506 33636 46145 43614 44881 496.6744@0.827 24155 19887 1 1 1 1 21253 26258 20615 1 22119 1 12098 22663 18909 21533 18244 1007.3011@0.835 6661 35616 1 1 1 1 12181 9728 17711 1 11242 1 1 17169 10235 36502 1 C9 H10 N3 O9 14199 1 7542 25661 27823 10222 8624 5654 8123 11171 10985 19486 21306 13321 18382 1 25446 333.9854@9.5529995 24055 27946 36221 32247 20355 17840 16415 17237 15601 11934 11626 11249 13467 11677 11439 13128 12691 C33 H50 N S nullnullnull13.089001 27126 5957 86366 65055 63112 115278 94895 61035 42181 14687 127483 60872 68001 1 59912 102205 60247 287.9184@0.85 32862 33691 23214 15709 30189 7398 8408 12127 8481 1 1 1 10733 1 1 17476 1 C25 H33 N O13 S 9242 8794 10312 9742 8319 9845 12376 9979 9186 9890 14072 9585 9722 7261 9692 13147 11181 544.6314@0.83300006 10666 27034 1 1 1 1 14389 14420 20547 1 14897 1 1 25120 12844 26273 8136 C3 H2 N O4 12296 29326 1 25397 22746 8273 29871 15887 26622 22757 7260 1 5022 10918 6295 26427 8157 263.8733@0.81299996 39313 12176 25992 17184 14892 17488 31600 46710 46078 11943 43601 31916 44914 49259 47667 13532 31553 C8 H N3 O6 S 16195 1 18079 9032 21879 21244 20610 66617 10680 1 18965 10481 12949 14646 15389 14954 33524 595.6768@0.823 1 31361 1 1 1 1 9250 11534 1 1 7339 1 1 7808 6558 27748 6390 > limit nullnullnull16.168 1 22028 1 1 24982 207947 183304 78305 46485 33339 229864 25346 42756 1 1 165172 21151 Bromochloroacetonitrile 12868 7059 13023 13055 17772 9649 15165 14940 10672 18514 11849 16209 11933 13902 12206 10627 6317 183.9956@6.4759984 118259 662448 685768 685160 515793 476747 458962 422007 419737 415933 414820 426506 1 423244 411527 415769 412536 427.8598@0.81099993 36954 8646 12525 9369 8103 1 19716 28418 35048 1 20649 5669 15316 30966 28843 6760 13698 699.9169@13.089997 39539 1 70179 51615 58959 130112 103515 56247 65260 48313 77543 26123 18236 1 35328 42260 10936 nullnullnull0.823 :2 34288 42649 6874 1 1 1 26239 33401 29487 1 17893 12530 32103 21709 20464 41621 28047 nullnullnull0.82799995 10969 42799 1 1 1 1 13400 12810 18806 1 13162 1 1 18572 10166 38555 7067 nullnullnull0.834 9837 20520 1 1 1 1 13444 9259 12943 1 9300 1 1 20008 6890 20178 6883 C5 H7 Cl3 N O2 S5 113203 10194 34685 25011 19756 24756 83863 112517 100093 13436 89694 58622 95390 92171 107163 9441 91945 C40 H74 N17 O2 nullnullnull16.186003 1 1 1 1 1 230816 270339 77770 30428 23594 234683 1 37990 1 1 230382 1 351.8698@0.81099993 15465 8267 1 1 1 1 10295 15269 18204 1 12695 1 1 17759 18567 1 8497 C16 H Cl3 O3 S5 32860 28279 1 1 1 1 34540 35016 42329 1 32123 1 10716 39778 30988 27902 14051 Flupropanate nullnullnull13.708002 21593 14095 23061 24277 25736 27457 25551 25690 25229 23663 33175 28169 27170 14376 30126 29661 32066 Malate nullnullnull0.8979998 48744 46925 34212 37046 36375 27267 39702 37486 35552 25404 34270 29118 33802 31810 39113 48738 38757 C59 H102 N S3 26105 16964 30188 31040 27162 28561 27235 23461 20978 16381 28090 23565 27111 12242 27695 31163 29383 C10 H28 N4 O10 19382 25081 29582 26887 24738 21094 21237 22425 17765 20755 23035 20531 27668 24540 26379 32754 28571 187.9376@0.9060001 48403 104613 39635 22988 35081 28882 39424 49811 45517 37657 477872 14719 29046 47596 49570 110930 390020 C13 H28 O4 S 29368 26047 32640 30746 30651 27630 22667 22067 23468 21614 23434 20001 23778 24019 26790 28067 23581 C22 H40 N7 O3 nullnullnull16.796907 1 44745 471004 37296 44414 1 1 338190 77158 218611 429137 1 399006 1 170417 692598 1 480.7027@0.82899994 16284 19594 1 1 1 1 17011 16834 20958 1 17397 1 6276 21957 13934 24919 11866 437.9572@13.0859995 66069 70891 36997 25123 73374 101020 95550 84153 18501 1 38663 60700 16274 50024 59657 82149 34931 C13 H14 N4 O10 S 20529 17091 27161 17053 18940 16289 29645 24011 24260 19861 21268 21341 26559 18620 26142 13798 28124 nullnullnull1.0179999 10343 41291 17484 1 1 1 27201 31054 23378 1 10468 1 1 12201 16964 56563 10129 491.7562@0.8179999 26177 94263 7164 7102 1 1 23616 22618 28907 1 27749 9390 17556 35310 27171 88202 15041 C23 H4 O28 S 14986 1 17549 17492 19194 11835 13729 12051 14727 64635 19299 10281 10744 19893 13290 16435 22082 616.595@0.828 19721 21965 1 1 1 1 20994 21607 26993 1 20532 1 6376 27443 19688 21165 13802 1327.0588@0.835 1 35550 1 1 1 1 7198 5970 11894 1 7543 1 1 14994 6556 31783 1 C35 H17 N11 O3 30871 36616 35978 38654 29099 28082 28533 32709 31053 30080 29027 33226 34791 35671 38520 40814 38836 C27 H61 N30 1 1 1 102343 87004 1 1 140213 224982 253616 1 82965 307939 1 132978 1 1 C33 H60 N9 O 1 16737 27028 10417 20497 145552 98334 34781 101601 73681 143093 1 37888 1 1 789823 12243 C45 H87 N9 O2 21813 9279 23490 26321 37473 31956 14213 30917 25063 46738 15460 60581 21995 15990 30698 6481 17897 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull14.782999 1 1 1 1 154108 1 1 73196 145415 84217 1 1 44402 16740 25212 1 1 C6 H4 N O2 S3 nullnullnull1.1520001 120456 1 34103 1 40514 1 89662 116806 102392 1 1 1 16302 65367 22076 161718 25050 745.7159@0.8100002 14723 20089 20473 25904 27666 28498 11195 12494 14581 24271 7817 66360 10518 11360 17122 17270 6826 C6 H6 N6 O5 nullnullnull1.2919999 :1 183940 132564 164771 144295 124790 137908 160596 143834 146176 138924 145902 130128 155348 158406 167634 129432 158901 C29 H N O26 S 8718 1 17170 14471 10557 15930 15787 12126 9027 1 23081 12418 15774 1 11695 18644 12834 nullnullnull0.8149999 28593 28351 33302 44620 63131 32492 1 17348 13430 55126 1 28186 6538 13196 15972 21850 1 C17 H6 N O11 S 30281 1 1 1 8408 1 11532 7302 18523 1 8539 7054 9429 10341 14988 1 10067 C14 H N O18 16048 1 7225 6132 11277 11354 15673 12847 128571 1 24091 10322 11248 1 14136 11508 16615 C7 H Cl3 O3 6500 1 25027 23196 29896 16874 6350 9400 7999 12087 7518 8327 8098 9534 8855 1 7525 Iridotrial glucoside 8012 9750 8479 9504 9377 9599 15864 11211 7580 10565 11275 9076 12569 160978 9055 12028 12141 Palmitic acid 12741 11609 26614 23904 17909 23959 26755 14367 11731 11595 30143 13673 21507 16528 24835 28969 18103 722.4987@0.83300006 9317 21016 1 1 1 1 15962 11976 22877 1 16052 1 1 22635 14001 21912 9369 602.5952@0.8319999 16398 27351 1 1 1 1 20276 19944 28953 1 16550 1 1 28405 14519 26428 10978 447.3841@15.800998:2 32676 36208 64688 43729 29060 76845 68623 65901 55313 52795 79052 30056 61055 1 44757 99044 24228 179.9071@0.816 43890 15898 38899 31197 35578 36861 41793 52354 53142 34508 47738 43789 43869 49519 51757 16238 45074 C35 H67 N10 O5 23432 36542 1 1 1 1 22723 27009 23290 1 20770 1 10111 29207 22464 32022 23830 849.4468@0.83 21090 25904 1 1 1 1 25625 31029 36584 1 26083 1 6814 35251 23995 18855 18043 beta-tocotrienol 22383 20495 28140 18963 20804 28200 26036 23860 19506 17678 23511 20104 19775 20086 22388 29045 22950 C31 H70 N21 O10 nullnullnull16.777 1 117636 659885 1 1 1126094 963271 425173 1 306222 1030115 1 579742 1 1 886166 1 C23 H5 N O24 S2 10022 1 15497 10563 11684 17515 17185 9971 9182 11593 23653 10394 16820 1 12325 15491 11285 C21 H3 O20 S 35865 1 12588 7649 6944 11178 11014 9108 7525 1 19008 8195 6151 1 20183 10879 9218 nullnullnull0.83300006 :1 7664 18082 1 1 1 1 10605 8684 9276 1 8094 1 1 11135 7110 17597 1 1093.241@0.8360001 10358 42149 1 1 1 1 16657 12298 22529 1 12738 1 1 22897 12366 47746 6545 Stearic acid 1 1 16309 17194 10783 17536 19196 9989 1 1 26854 8724 13364 10030 15428 22937 15206 C27 H49 N28 O S4 14001 50562 1 1 1 1 20681 17647 30252 1 19556 1 1 33090 13795 55637 10423 C18 H2 N2 O18 nullnullnull12.8359995 1 1 11505 1 17186 1 32813 19774 47642 28127 41023 6630 14256 1 21627 7708 37221 727.5624@0.82499987 38427 28332 1 1 1 1 28725 34257 34300 1 27918 1 21556 28206 27330 27802 31196 3-Nitrophenol 42722 38197 32269 31787 36835 34253 26497 37654 28257 22738 42141 34397 42611 40640 27081 26469 31578 C21 H3 Cl3 N O S5 12288 125019 6837 1 1 1 15545 12957 20442 1 10986 1 7382 25442 1 121425 7821 514.6561@0.834 11900 19365 1 1 1 1 16571 12459 19725 1 14274 1 1 20828 11789 26147 12015 C33 H50 N S nullnullnull13.092 27146 1 1 1 61217 115278 96313 61025 42162 15622 134604 59462 66366 1 62239 102205 61871 C5 H Cl3 O4 12619 1 22865 23602 22823 17123 16731 9387 16866 12006 27775 17207 21229 24188 27277 1 26623 C15 H3 Cl3 O13 S5 25841 1 19980 16477 17709 20462 21881 25796 25388 15862 21094 19467 28368 27173 32046 1 16500 > limit nullnullnull17.334995 :1 20892 1 77960 54807 62168 81968 53217 19539 20437 17334 119168 32830 39732 1 21173 11052 16254 C30 H17 N6 O29 S nullnullnull5.1314 39785 42766 1 30775 49125 1 21826 32083 1 34414 1 114317 1 1 27386 1 25841 C12 H3 Cl3 N2 O10 S4 16604 50301 6722 13276 14434 13657 20398 20824 24467 12918 19909 15237 7690 29868 20054 46706 12820 C39 H76 N O3 9947 23395 1 1 1 1 14679 12068 18399 1 12541 1 1 22471 12152 24357 7227 983.9964@15.975999 1 1 1 1 1 1 83752 404126 1 252152 202754 20553 1 1 1 233010 69643 C32 H13 N7 O29 nullnullnull0.863 123427 1 214758 218831 285410 225217 156038 131049 113281 325178 217281 262539 176790 162893 172330 89328 175320 687.5809@0.82399994 32169 1 1 1 1 1 20197 28027 29929 1 24638 1 15750 21556 28313 1 23486 > limit nullnullnull14.869999 1 1 25472 19263 19878 36837 17468 22320 25660 17707 18897 17615 32897 1 1 1 23415 > limit nullnullnull16.043 :1 29178 1 94905 74150 79172 160454 135047 67563 58257 48830 198752 55105 98935 1 55209 72216 56065 "Pregna-4,16-diene-3,11,20-trione nullnullnull11.151 :1" 154371 169887 158989 129074 160405 236602 63017 131333 231220 167064 163235 208248 105562 162689 132932 68865 74249 C48 H75 N6 O10 nullnullnull16.749445 1 196316 1125521 1 1 1999650 1573493 830064 1 599012 1636369 1 991380 1 1 1480670 1 PtdIns (4)-P1-fluorescein 6320 34082 1 1 1 1 10494 9202 11613 1 8118 1 1 15263 6505 32637 1 nullnullnull1.221 9356 1 13300 19950 12806 16582 8533 6411 8478 16267 12478 15879 16048 10043 15418 1 16117 C36 H75 N9 O4 S 21622 8542 1 1 1 1 20170 23528 24811 1 23548 1 12044 26541 18686 1 21287 551.687@0.823 23461 5907 1 1 1 1 19369 25241 24471 1 20621 1 14454 22791 20237 6310 16668 C33 H50 N S nullnullnull13.089001 :1 27526 6575 87895 65061 63315 115278 92105 60537 42395 13847 132913 61012 66956 1 59900 102205 60237 C6 H13 Cl3 N4 S5 18259 1 1 1 1 1 11275 16503 19135 1 12846 1 7322 21253 17381 1 8901 497.6778@0.83 29589 27201 1 1 1 1 28330 34623 26491 1 30738 1 13624 40256 26792 23110 21593 C11 H Cl3 N2 O5 19112 15079 1 1 1 1 14432 19971 17793 1 15319 1 7584 16664 13680 16851 10647 C25 H46 N7 O3 nullnullnull13.587002 22616 201793 327372 28960 31685 308630 53925 32855 256809 217952 95091 39988 18535 162678 331160 52771 32568 C50 H76 N3 O9 nullnullnull16.755228 1 47873 204580 1 66890 397852 511202 160068 142876 173443 506293 61536 155820 1 71340 409428 1 C40 H73 N9 O5 S 1 1 89491 1 50082 184413 143378 74419 136078 1 437852 1 35845 1 1 175072 50007 3-Furoic acid nullnullnull1.2180002 :1 1719233 291435 2736633 7364458 3923032 7991704 967750 708316 971777 7930895 2269952 5614528 3921292 1259170 3354825 411197 3158394 C40 H59 N16 1 1 95964 22025 32966 197161 140958 56837 52692 74335 113218 1 1 1 1 215224 1 983.9973@10.99 1 1 44603 1 6968 106723 1 64671 1 1 1 1 1 1 1 27287 1 460.3343@13.727998 60266 60112 82572 69588 55597 68190 58558 56005 58245 61917 60569 65695 63681 55894 72817 66712 64088 C29 H63 N27 O6 1 1 1 1 1 177859 118894 40229 29513 62576 148190 1 24271 1 1 162202 1 133.0222@0.8979998 27582 27785 17904 21234 17013 19473 19944 20362 19266 12052 14829 14012 20721 15387 20223 26221 20003 C31 H58 N9 O 1 1 16142 1 11308 57115 38338 15140 31087 15456 61141 1 23167 1 1 400232 1 C16 H26 O3 S nullnullnull9.804 109684 109329 111682 1 19661 107097 101432 91617 1 97091 112793 104330 1 107243 1 109658 113963 C22 H N3 O21 S 1 1 12273 12234 12713 15084 14542 12418 11226 1 27324 12774 14302 1 10589 15734 10897 C22 H8 N O24 S 1 1 42691 8829 40113 46311 61798 27312 20875 1 23412 1 17287 1 14611 29396 1 C13 H2 Cl3 N2 O11 S5 18820 30457 13545 19673 19779 11731 15516 21013 23340 16303 14039 31627 10432 18940 20101 30360 9707 C10 H4 N2 O5 S 19919 18773 21959 24267 17751 14624 13312 12727 9091 11727 10867 12467 10177 11016 10709 11452 13576 > limit nullnullnull17.5 :1 35230 1 41645 44694 34902 35695 22097 48808 40681 23009 19230 66728 39904 1 24787 25424 78416 "PS(19:1(9Z)/17:2(9Z,12Z))" 27048 40469 1 1 1 1 33286 34607 37840 1 29689 1 11488 38528 30497 42846 20855 C5 H7 Cl N O4 S2 56612 24999 47584 46879 31784 35560 42071 42855 31383 1 25292 36392 43254 20809 47151 55336 50655 8-Hydroxyalanylclavam nullnullnull0.915 6509 1 31846 105809 45909 92222 7745 9890 10360 131408 23942 26649 26496 1 15455 1 1 C13 H2 Cl N O10 S5 16209 15144 1 1 1 1 20019 22109 26788 1 17402 1 6229 29807 22604 12669 14115 "3alpha,7alpha,12alpha-Trihydroxy-24-nor-5beta-cholan-23-al nullnullnull13.709" 48155 7537 60643 57614 67789 33343 35205 44446 36177 40663 60081 51321 50267 3740 49783 38210 33904 nullnullnull0.84000003 1 28797 1 1 1 1 6570 6961 9807 6988 6538 1 1 11151 1 29735 1 > limit nullnullnull16.863003 1 29452 1 44216 44089 1 262082 169042 89975 125467 278895 47973 201999 1 107346 286455 54997 C34 H62 N3 O5 22122 23375 29924 30259 22824 27856 25256 25042 23121 21750 24750 22469 23997 21416 25215 27340 22848 786.4802@0.837 15476 33860 1 1 1 1 20060 17312 25220 1 18277 1 1 29401 18144 33339 11575 PD 173074 nullnullnull14.022999 35309 25462 40148 44367 30880 29855 25714 32873 27303 31409 22515 36853 23897 41870 40169 40598 30039 PG(O-16:0/16:1(9Z)) 6453 23465 1 1 1 1 10624 8868 15845 1 13243 1 1 17770 10519 23706 1 nullnullnull0.892 61965 1 1 1 1 1 18553 36817 37936 1 1 1 1 1 30361 1 25411 C30 H44 N S nullnullnull13.406002 34896 30172 65705 45167 36620 94891 74767 39167 29594 34760 89951 34787 57159 17474 42726 48173 33136 C7 H15 O7 S2 29045 7940 13122 17404 14258 9550 14967 15059 14235 6735 10205 8561 12118 11451 16315 1 14809 956.9771@4.739 1 1 1 1 1 43594 19261 34411 1 23454 1 1 1 1 1 69183 1 Tetrahydrofolic acid 1 1 26501 1 7749 7167 7512 7443 9132 8562 8077 8434 10666 27159 9056 17203 9007 4-Heptyloxyphenol nullnullnull9.475999 78281 78632 83557 76934 78160 76636 74341 73681 80232 76916 78068 67741 75143 76035 74302 75338 78519 nullnullnull0.8079999 :1 7579 1 9573 14602 15063 14362 1 12017 10687 18330 6914 34921 7431 1 12373 1 1 C18 H30 O3 S nullnullnull13.403 20407 9647 32577 11848 19907 24665 21057 21145 20964 12831 32215 10901 13561 15217 17945 12297 1 C34 H59 N16 O S3 19082 19046 1 1 1 1 19866 22448 27234 1 22539 1 6546 28349 20998 20867 11613 C3 H2 N3 O S3 nullnullnull0.9040001 205453 46839 70764 194871 60690 180030 48715 32834 52320 180340 59572 174678 188285 76460 185347 33313 151342 C18 H2 N2 O18 nullnullnull13.406002 18844 86526 13063 14967 34275 51322 45761 11810 15478 19177 25748 25754 20564 21931 15589 15687 10960 C34 H52 N14 O nullnullnull7.900001 24492 23259 29133 24971 18084 16712 16224 15765 17540 13238 16686 16696 17590 18027 19076 18032 17725 C40 H77 N4 O3 75568 97000 1 86601 102809 109801 101183 86252 94321 100165 97386 109541 96766 107953 114631 104494 99452 711.6101@0.82100004 19217 28510 1 1 1 1 13752 19348 22546 1 13702 1 17937 12475 23082 28889 19829 C22 H3 N3 O13 77794 15238 86819 75595 76620 14985 20760 79172 88078 13340 39731 88580 88973 85271 87655 103701 101095 15(R)-17-phenyl trinor PGF2? isopropyl ester 7313 1 17687 14264 13785 21190 19468 14442 11401 1 23940 14852 15730 1 11967 23994 15424 nullnullnull0.802 :3 40043 11069 29971 27820 29818 35265 29391 41996 43926 27124 39955 31866 33148 41018 47947 7191 27598 nullnullnull0.8360001 14590 33478 1 1 1 1 20237 18419 29802 1 20390 1 1 34739 13605 31629 8874 C55 H72 N17 O 1 1 13788 6523 5928 19563 19659 8534 1 1 23480 1 10520 1 1 8794 1 C14 H4 N2 O14 S2 52051 36230 8900 1 1 46522 35671 10887 1 35149 23414 1 1 1 1 1 50594 "2,2-Dimethyl Succinic acid" 18614 18728 17318 18452 19510 19979 17883 24907 22924 14692 21945 22610 22308 22241 23953 16375 20049 nullnullnull0.81400007 5903 25740 6505 1 1 1 9728 12618 12311 1 12399 1 8003 18387 9538 25341 1 427.9487@0.855 1 1 1 10483 1 9867 1 7497 1 1 13852 13010 12601 7213 19108 1 14783 C29 H4 N2 O22 S3 14071 14439 12572 10200 16856 38013 13486 10491 11369 1 21547 12848 10311 1 21270 14289 12242 C9 H2 N2 O5 S nullnullnull1.12 32890 1 67436 65725 63294 54013 21140 51879 1 53814 59499 67131 69202 1 1 1 1 C48 H87 N6 O2 7526 1 14190 8015 7136 7766 1 12134 11744 1 1 26308 9243 8214 10894 1 1 Scarlet Red 14134 30560 27115 27096 26227 24128 26138 23624 25623 22370 24896 26857 28958 22991 22870 28401 27426 C20 H2 N O21 S 16768 1 7368 102020 27436 24646 23377 14715 51063 34282 35345 24089 37612 45416 24386 73454 21284 C21 H48 N7 O6 28289 18634 29446 28378 31375 26949 29614 28541 27110 20855 29465 28158 31720 18224 35357 32414 36217 Dinoterb 13803 17912 19284 13916 24309 22185 14886 18858 21474 23365 17594 21478 22483 18017 23413 17911 20199 C19 H34 N3 O S3 31577 20065 1 1 1 1 27825 28504 36411 1 29683 6131 15752 35645 27778 20086 21279 C22 H6 N O26 nullnullnull12.8359995 :1 1 1 18715 8635 29667 99561 85349 28800 43732 1 34501 12308 19238 1 13046 12661 8244 815.6562@0.809 12832 1 17904 11488 7446 10193 7995 11423 13980 1 10178 27950 15848 12632 18513 1 10348 C17 H5 Cl3 N4 O4 S5 22414 6678 28025 13954 8334 16577 19101 22582 25532 1 21637 9005 8562 26281 22482 8571 12356 Doisynoestrol nullnullnull13.707 10633 1 11054 9582 12704 13992 12244 8232 10390 1 15738 14091 14108 1 11169 16072 13506 C3 H5 Cl3 O5 50965 21078 1 1 1 1 66021 61214 83888 1 42107 1 15721 97398 42200 20974 27468 nullnullnull13.707 30970 19031 17487 17906 25465 11931 23069 32328 21045 1 28149 8486 13523 1 52480 12715 24764 C32 H61 N20 O2 17620 25962 1 1 1 1 9916 18480 16857 1 15286 1 7337 11289 15581 24064 9826 C16 H28 Cl N4 O 40274 34860 35769 35278 31659 31708 40414 40255 32443 28614 28809 25342 23910 34689 43254 37517 36612 C32 H21 N8 O27 S 11149 39842 1 1 1 18254 1 17330 18070 23953 18224 34615 16755 1 13519 1 1 nullnullnull13.908998 1 1 54129 1 30609 1 38751 29884 1 54363 1 59872 136997 35199 67837 15495 28777 413.8873@0.81099993 70681 50472 23309 16204 11930 11106 71828 76077 89676 1 67227 12175 26133 95275 76001 52447 44596 872.5553@17.802 1 1 1 1 1 1 1 87502 130507 113266 1 1 212182 1 1 451077 1 C58 H101 N2 O S3 14767 32306 23905 124701 126976 269995 209597 53601 246336 18922 179947 1 59299 1 36752 13986 39832 C18 H45 N12 O4 nullnullnull16.791998 1 40832 439807 31547 42001 1 1 249089 100932 222283 449950 1 372119 1 1 235823 1 C6 H6 N6 O5 nullnullnull3.2959998 12265 1 34134 1 1 1 1 26780 112748 41181 25055 1 1 1 74226 29243 1 781.5737@13.709 30013 29343 34182 38528 28677 21340 25903 32626 37071 22200 54104 29921 18426 27837 14270 38111 39603 C33 H71 N19 O5 S 1 28902 367049 54369 66052 871903 441721 209991 107629 122624 447031 1 263389 1 163002 440811 1 C44 H54 N14 11348 22989 1 1 1 1 13779 9856 18075 1 10778 1 1 17541 11979 21603 5525 C49 H70 N12 O8 nullnullnull16.190998 1 1 1 64330 99794 1 553388 287752 167172 127004 736935 106642 155890 1 77338 589959 93750 "3,5-Dinitroguaiacol nullnullnull6.817001 :1" 131391 567603 506580 466192 181236 209862 735882 402064 252242 557093 404145 677360 240086 205883 693493 276188 224603 C6 H2 O6 S2 25385 61908 18630 16951 26030 1 19487 16222 16706 1 12117 1 9768 17651 9360 51474 10735 C18 H34 N7 O2 nullnullnull13.710003 15605 13375 12532 12089 11411 12609 13330 10960 12652 9104 12686 13604 11259 13050 17323 19672 13936 C28 H63 N24 S 1 1 1 1 1 187636 210281 73817 30754 69501 163849 36049 106915 1 26730 246865 1 C49 H80 N2 O12 nullnullnull17.057003 1 64339 1 45619 95302 193925 296003 125841 55675 207310 606888 165274 187914 1 28954 689787 1 nullnullnull0.89700013 :1 21397 26382 30664 28665 25658 27942 25768 25890 26432 24314 24878 31087 28368 30002 31421 22323 28352 C44 H69 N13 O2 1 1 136858 1 1 192129 289366 235286 208663 1 136138 1 48999 1 1 734381 1 Promacyl 22446 22956 22405 20897 17264 17679 15371 16342 16086 15249 17627 17533 17921 17569 18103 19142 20200 > limit nullnullnull16.854002 1 45472 1 52304 52256 1 1 214847 97678 144614 375443 58733 265431 1 129031 342396 61767 C11 H4 N4 O7 54010 36894 40350 35409 64876 32137 31090 36213 44228 32708 33827 34074 57768 35428 24526 31345 30946 methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate 12893 18397 14887 13723 14111 12487 9459 18653 11232 8090 11211 17823 11526 17112 10689 9676 13220 C50 H86 N4 S2 nullnullnull13.408001 10398 7222 26566 15585 9765 28837 26178 11549 14471 9967 39851 12115 16029 7932 13581 17480 16604 660.5558@0.8349999 11286 23044 1 1 1 1 14649 12127 19751 1 12362 1 1 19356 10497 25692 8176 C39 H69 N7 12656 1 1 1 1 1 17024 15367 22040 1 15547 1 1 24020 14148 1 10758 4-Hydroxyethinylestradiol nullnullnull13.408001 11419 20694 22260 1 28431 22057 21399 14859 25131 16836 25725 14744 16466 24461 14238 36108 5833 C51 H83 N O7 S 221253 516677 1 303881 532867 1 2910656 799153 1094874 1452094 3083126 390897 1431602 1 905298 3954605 411038 C16 H4 N O14 24126 1 1 1 1 1 10434 6303 14394 1 8363 1 7623 8603 12258 1 6338 C41 H72 N15 O5 14648 13705 24098 13243 11042 11464 9489 9279 10075 9557 9109 9879 11282 12521 14114 13322 13394 Dichloroacetyl chloride 1 28628 60051 87429 1 1 1 42035 1 18189 1 71509 66195 1 80890 46034 484258 498.6871@0.83 17498 16617 1 1 1 1 19699 16288 21740 1 18551 1 7265 21596 18594 12882 9579 C27 H4 N4 O26 S3 14715 1 16381 11188 13914 27647 19021 14564 8464 1 22617 9028 19778 1 22772 12519 10411 C49 H91 N O2 S4 1 19302 66343 1 1 218668 169544 89545 68670 32887 185154 30421 54053 1 1 173168 1 C28 H5 N2 O28 S3 10948 66739 23894 19255 21037 19789 13391 9798 25279 1 20056 9180 10209 1 22899 14076 12836 689.7526@0.8130001 10483 27617 1 1 1 1 6946 6361 9944 1 7983 1 1 6928 8886 23904 1 C6 H2 N2 O3 S nullnullnull13.675002 33596 29622 33943 66546 230547 230527 25012 183786 54965 73948 97856 1 42631 193054 1 516346 54909 C6 H6 N6 O5 nullnullnull1.632 :1 70806 44970 50114 51626 41494 46879 42790 41286 42636 37790 38693 36478 50741 50181 64929 42403 50265 C15 H7 N2 O16 S 93452 59238 92031 44232 69730 82612 77426 137622 73259 140511 80604 26379 23311 22770 148641 108915 15309 C18 H2 N2 O18 nullnullnull13.707 1 14906 10506 25523 18191 1 23640 25750 22797 20418 1 13239 13805 1 1 12175 11406 C10 H Cl3 O4 S2 16085 1 21248 23611 29445 22920 14115 12313 12237 29752 8714 18593 12336 9724 10620 1 9676 C10 H6 N6 O5 S 23570 23556 25872 26185 21645 23541 22152 25677 23926 24015 24606 24387 23582 24547 23675 25417 24642 C49 H77 O10 1 35926 1 57013 1 1 450931 202548 152143 192766 400661 1 567621 1 129184 163648 1 C29 H O29 S 12859 1 8291 9502 15700 16017 9643 8978 19108 1 14876 7474 10217 72437 18897 11366 10818 C46 H66 N7 O2 16368 20588 33941 1 17793 98049 105082 43212 41397 56361 127452 24589 42577 1 18790 144883 25182 C21 H N2 O14 S 106944 264862 128097 120309 112423 39608 37554 110348 121241 14795 130850 63433 114176 22982 150035 141274 118512 777.4703@0.834 8971 23365 1 1 1 1 10455 11287 16313 1 7711 1 1 15070 6441 22265 5918 1001.3039@0.8360001 11489 70220 1 1 1 1 17104 15391 25880 1 13479 1 1 26630 11397 62661 6192 nullnullnull0.831 :3 12847 21471 1 1 1 1 13061 12685 19843 1 11132 1 1 14200 19397 8974 10483 C4 H4 S3 nullnullnull0.585 105872 57146 119599 110099 106107 101632 91927 34104 94195 93605 97182 93346 94946 35787 94138 61248 89476 C16 H22 N9 O 95600 83508 91192 84872 87478 89150 85312 9445 89436 96614 97770 11783 93484 103069 104228 113049 103691 > limit nullnullnull0.83300006 9334 34620 1 1 1 1 13067 11047 19881 1 12130 1 1 18884 10697 28420 1 nullnullnull1.033 216261 203640 222118 187256 141802 195710 132098 154196 163876 185462 136298 192401 114079 116979 196728 183007 134352 nullnullnull0.809 :3 14035 1 5726 1 1 1 7943 18658 18877 1 11417 18950 15023 11650 24291 1 12506 2-methylene-4-oxo-pentanedioic acid nullnullnull1.249 :1 176559 270022 101713 69516 171881 55049 138322 116927 127755 60491 76708 87641 100158 135006 89571 392453 127750 nullnullnull0.8349999 :1 9837 24724 1 1 1 1 13691 11302 17997 1 10423 1 1 17608 10073 24462 6099 C4 H2 N O3 S2 24405 1 25851 28797 26478 24420 12616 17644 18977 24092 19321 24625 19793 16737 21295 1 20362 Promacyl nullnullnull9.656999 19034 21709 21918 18397 20869 22402 19128 19910 17047 19678 18957 20825 21814 20832 20649 20700 20087 C38 H54 O2 nullnullnull15.474001 1 1 74390 12243 18162 44263 107550 14534 16811 1 168242 1 38709 1 34937 1 1 C27 H61 N14 O10 11190 43565 1 1 1 1 15573 14305 20005 1 14777 1 1 21122 13122 40731 8852 C7 H3 Cl N O3 S4 16533 5972 9673 6495 1 6376 11106 16137 14788 1 12721 11741 14740 15132 17792 1 13638 845.4781@0.827 24670 24383 1 1 1 1 21425 23498 28330 1 21924 1 6855 23027 15463 20665 16469 C12 H13 N5 O3 S 18700 20531 23709 19723 21533 18848 18814 18616 19767 17448 21199 19025 23337 20547 21809 24058 21757 C32 H20 N6 O29 S nullnullnull8.075 12664 72447 51560 53875 53769 1 50467 58291 1 12086 1 45076 1 1 1 1 52438 502.6895@0.828 17206 14174 1 1 1 1 15804 15463 18497 1 18364 1 6802 22249 12873 11427 9552 nullnullnull0.82100004 :1 18294 22806 8196 1 1 1 8471 18901 10114 1 13438 10168 19878 11475 17995 21526 14638 C36 H75 Cl N6 O3 15993 14569 1 1 1 1 16730 17516 20762 1 16064 1 1 22980 14517 18083 12463 nullnullnull0.81400007 :1 35184 25649 1 1 1 1 33836 32723 39926 1 31082 1 13007 39008 30106 27349 15838 273.032@0.8979998 22136 1 8730 11572 11375 5632 8958 9734 6681 1 1 6127 8079 1 8380 1 8535 C35 H51 N21 O 14800 12706 1 1 1 1 18282 16267 24119 1 17231 1 1 24897 14157 19384 7992 Triamcinolone 25116 27642 23827 30146 30036 41697 43507 22284 37586 26150 27470 23887 26642 26996 28636 39148 23295 3-Furoic acid nullnullnull1.2180002 :2 1476197 7164 2573583 7119513 3645280 7816044 784255 536705 823474 7771002 2092164 5397769 3715806 1048038 3146543 8325 2923260 C11 H N O16 11418 1 19167 61201 22677 15967 13746 17372 22889 1 18400 8974 15488 1 1 23813 25895 C17 H O23 65184 73347 88393 119105 38266 48486 41666 24411 117463 1 18237 1 29831 52090 31030 43072 33178 195.995@0.88800013 21255 10351 48012 57898 190099 36326 27141 20751 31182 311025 28596 35022 28833 1 19815 15848 31366 350.005@0.863 1 1 11282 20581 12065 21573 1 11570 1 13050 9918 19024 16315 1 16688 1 15068 nullnullnull0.89700013 :2 7718 1 16211 14951 18280 15890 10264 8114 11205 9780 21008 16984 18894 19386 20379 1 20863 nullnullnull16.647001 1 8588 32024 9174 1 1 11656 22405 12473 15975 17618 11515 24954 9753 17069 23348 15816 nullnullnull0.813 31882 1 9249 9667 6397 10955 21905 35821 29351 1 28015 29039 24564 25664 41666 1 27315 "3,5-Dinitroguaiacol nullnullnull6.817001 :2" 222305 389170 232590 420070 303615 453610 187715 216846 230174 499685 421563 410891 353946 206179 452747 530245 223661 C4 H2 Cl2 N O2 S4 323113 112146 82630 60757 55665 66712 285438 322353 320469 43941 291077 137514 237325 312528 307048 112500 273034 nullnullnull0.80500007 :1 9765 1 37251 55980 68690 63255 7701 21101 13959 90772 11655 142943 19923 9833 27582 1 9806 C47 H74 N7 O11 1 84126 504798 1 1 751630 721075 392199 1 1 698204 1 431229 1 1 601253 1 C37 H19 N5 O28 nullnullnull1.2989999 27434 78374 1 27117 27270 1 1 25972 1 49570 1 1 23780 42117 25233 44456 1 "PE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)" 1 12491 9834 1 1 31685 18650 16406 23467 7504 17431 1 1 1 1 62413 1 C46 H66 N5 S2 10402 15192 1 1 1 1 15530 13779 16744 1 13041 1 1 19732 11166 7621 7868 C23 H2 Cl2 O11 S2 10243 25848 1 1 1 1 13073 9397 12696 1 11063 1 1 14497 8875 23035 6204 nullnullnull0.828 :1 16275 17204 1 1 1 1 16801 19508 22397 1 19247 1 7949 24301 17569 17703 14705 nullnullnull0.82799995 :1 13802 18053 1 1 1 1 9990 17243 17612 1 14203 1 1 18842 15192 13590 11237 nullnullnull0.83899987 :1 12488 34287 1 1 1 1 19250 13382 25358 1 15225 1 1 23087 16130 34516 9793 C19 H10 N3 O5 S5 31716 22838 15305 50057 42200 22254 27067 20531 17525 33945 19738 16839 52387 1 7936 12674 13916 Harpagoside 19462 20355 22405 23232 19880 18314 17499 17376 19765 18570 19775 18865 20816 20613 22669 22739 20839 C23 H46 N2 O4 15862 17005 19815 16814 14220 13913 12123 13136 12544 10852 11910 12105 13404 12971 11863 12439 13735 Nefopam 18460 18854 15888 15936 13320 13765 13057 12953 11503 12837 12812 15134 15349 14746 17534 17684 15507 C3 H3 N4 O5 29340 36480 17935 35024 37640 19806 24600 13767 14051 23223 10517 26000 23064 11527 16121 47631 14514 C25 H46 N7 O3 nullnullnull13.587998 :2 269296 201793 327372 28960 31688 308630 53925 32855 256809 221300 96332 39988 19605 162374 331160 52771 32005 671.7216@0.81000006 20746 10307 1 1 1 1 16870 20665 23249 1 16883 8198 1 22718 19362 7224 7468 nullnullnull0.83300006 :2 13308 23864 1 1 1 1 19344 15703 22801 1 16926 1 1 23897 15830 23057 8549 C22 H6 N2 nullnullnull8.834 15487 10947 11283 10104 12099 18146 16874 14728 13279 10406 14187 12576 13598 18034 9513 14824 11934 753.6665@0.81299996 16450 11829 12769 14487 14714 13869 19408 25881 19629 13585 17374 31041 24019 17781 20286 12410 17839 C38 H69 N10 16452 19543 1 1 1 1 20650 21625 26844 1 20289 1 7730 23432 17832 22006 15201 635.5817@0.83 18146 12035 1 1 1 1 20952 21087 25912 1 18341 1 6913 24302 16502 11577 15206 C21 H22 N15 O S nullnullnull12.968998 38547 1 19890 556702 399293 1115302 1508965 242797 531318 236932 2301479 15978 673417 1 677621 13937 82538 nullnullnull0.8119999 :4 7275 21446 1 1 1 1 9023 10562 12787 1 10818 1 1 9366 9250 18403 5377 "2,2-Dimethyl Succinic acid nullnullnull2.9529996" 18615 18536 17318 18452 20374 19807 17853 24907 22924 14692 21209 23428 21418 22241 23953 16375 20183 C40 H83 N O2 19502 8155 1 1 1 1 17298 21114 23546 1 15171 1 10366 15864 13676 12820 16638 C41 H37 N28 O 14054 13497 1 1 1 1 16217 14609 22450 1 16547 1 1 23485 15179 18551 9801 "PE(P-16:0/17:2(9Z,12Z))" 14936 38944 1 1 1 1 17635 16656 21724 1 17831 1 1 26446 14855 31617 11452 C7 H Cl N3 S5 1 1 11365 12005 13121 13815 11567 17110 14299 13185 16265 20782 20080 12458 24386 1 20920 C3 H2 N3 O S3 nullnullnull1.413 144138 1 141396 153218 1 140387 87169 248016 176683 1 33305 1 142665 1 141029 274095 1 > limit nullnullnull0.834 12967 50978 1 1 1 1 14553 14369 21408 1 14653 1 1 22969 10839 45362 7188 nullnullnull0.8260001 13662 1 1 1 1 1 11248 15601 18001 1 15092 1 12659 16750 18605 1 14224 4-Methyl-3-oxoadipate nullnullnull1.6299996 :1 59012 89297 75098 82534 75252 62592 58962 49644 49171 49448 59567 56652 74228 56227 66723 55011 62325 C42 H76 N3 S3 11731 22966 1 1 1 1 15994 13362 20177 1 13458 1 1 24640 13292 19894 7602 C59 H92 N S2 7731 1 13801 11946 8118 12605 15100 7616 7964 1 20658 1 9847 1 7394 11110 8953 4-Methyl-3-oxoadipate nullnullnull1.2700002 152251 294365 21087 72540 64327 99743 249170 51449 259476 92539 253539 57262 96850 279600 16904 201402 268721 C29 H15 N2 O26 nullnullnull14.822999 1 1 1 298287 114811 1 1 103759 283798 186962 1 1 1 38570 32071 1 1 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull14.043999 12617 1 11622 1 1 1 75873 83462 1 1 1 55160 1 60309 1 46402 1 C8 H2 N S2 nullnullnull1.0130002 371177 1 39281 60940 47341 41075 148732 62412 89252 173538 87354 42587 50161 161982 153943 29685 26907 nullnullnull13.71 1 1 1 1 28973 40277 12000 23090 1 1 36277 65970 22994 1 1 24042 55307 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull9.442 1 1 27614 1 24578 1 1 149103 1 1 1 1 1 1 16665 165927 27867 C44 H83 N3 16548 20272 8239 5869 9242 6655 15395 20688 13679 1 16371 7985 17113 12878 17228 13474 14369 C13 H20 O4 26317 31684 34597 33871 30376 22090 21873 26116 24130 23514 27319 21011 27275 26196 27615 28889 23793 C53 H93 N5 S3 7519 108302 8873 83408 39137 12100 13359 68701 60573 56100 12973 1 9973 11471 9645 13265 63256 15-hydroxy stearic acid 19855 56250 62609 58133 43266 42432 43721 41984 40984 10865 39499 38088 40189 40635 40074 40554 20480 C25 H56 N3 O S3 1 1 28348 1 1 120553 121420 40897 47404 1 115514 1 40770 1 1 91612 1 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull16.621 1 47178 63463 1 1 21060 1 20180 13982 85081 425273 1 25879 1 12799 31235 1 Cer(d18:1/24:0) 32199 57974 1 1 1 1 22346 26345 24320 1 27190 1 15290 32104 22802 41395 19898 nullnullnull0.8190001 8917 19609 1 1 1 1 8688 13841 13987 1 13333 1 1 16925 15743 23003 9028 C22 H6 N O26 nullnullnull13.699998 14029 7911 19945 22515 34834 53715 42127 7678 21070 13082 16678 19850 15851 9447 24705 11769 10988 486.6766@0.83000004 16356 20065 1 1 1 1 16729 19934 18913 1 14074 1 1 23415 15679 20214 8971 662.5482@0.831 19427 27548 1 1 1 1 21953 19878 28230 1 24036 1 1 31284 22234 27994 13440 C47 H76 N6 O16 nullnullnull16.802 1 67916 403931 1 80355 595331 468476 293156 145094 210234 534737 1 345524 1 1 446364 1 895.6592@16.538 1 1 109195 1 1 159534 41215 93721 1 1 78510 1 1 1 1 34924 1 C53 H93 N5 S3 nullnullnull16.195 1 1 60271 1 26075 1 73345 71386 79322 60750 103138 1 31153 1 1 168684 1 > limit nullnullnull0.83400005 6033 28995 1 1 1 1 8908 8625 11769 1 8985 1 1 14456 6949 21732 1 > limit nullnullnull17.402004 66338 1 150829 121005 101674 180129 123661 103093 98734 68730 154930 113979 136612 1 68007 77194 104374 543.6372@0.83300006 9805 19457 1 1 1 1 9529 13549 14118 1 12070 1 1 18335 10913 19431 1 533.9353@13.406999 17959 16611 14557 15354 15654 51165 46116 11783 7894 16062 25893 23786 28955 22425 8663 15942 11649 C38 H77 N3 O3 S3 11136 20239 1 1 1 1 15889 13141 18348 1 12061 1 1 21902 10031 18517 8885 PGF2?-d4 26286 25701 29573 29709 27417 26626 26759 25125 21880 21449 27548 24391 25737 26441 25297 30489 27808 "MID42031:25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / 25-hydroxy-16,17,23,23,24,24-hexadehyd nullnullnull13.692997" 18055 7729 36058 31302 29289 14982 10874 25902 13804 9058 19641 29420 33384 8034 34134 12854 35157 C26 H37 N11 O 19612 22402 20521 24001 20578 1 11512 16426 16438 22414 9305 16978 21806 21514 20243 19298 22506 539.6781@0.824 21153 109569 1 1 1 1 27568 23908 37217 1 17659 1 6715 27026 21720 110874 13780 nullnullnull14.0650015 33363 1 1 84272 59420 9657 1 52827 29415 1 13874 28198 74816 44833 39224 65203 31419 699.9167@13.091002 39814 1 1 48227 58589 127528 104293 56247 64857 32545 42132 31921 45955 39874 42070 43782 27663 Hildgardtene 18180 18033 18530 19432 18654 15562 16160 15884 18079 16642 17506 15548 16521 17322 20979 21387 18235 nullnullnull0.8190002 :3 22211 14116 1 1 1 1 20427 26273 26605 1 20940 1 12277 23812 28353 11872 19243 C30 H19 N6 O27 S2 1 1 263820 267158 287630 272195 235699 146583 1 389883 1 420378 285765 197242 1 1 1 C13 H18 N O3 17818 18351 22270 20496 19542 16977 17380 15768 17282 18455 17522 17087 16812 17229 17430 19172 16925 C32 H20 N6 O29 S nullnullnull7.228 15923 1 87337 1 1 354689 1 95715 1 1 14160 1 1 46282 1 1 1 C3 H6 Cl N6 24578 14778 16082 39125 19912 43132 12957 12150 16182 27693 26279 41940 36111 17457 41208 13198 34838 C38 H73 N4 O3 16426 19477 22754 20143 17680 19038 18829 17763 16970 16209 18567 18939 19482 17913 21569 22063 21142 983.996@4.69 1 1 1 1 1 157765 1 85257 1 1 1 1 1 1 1 76519 1 C29 H2 N3 O3 S3 34940 67956 61684 36301 83576 39718 51726 94809 66296 34240 44583 88330 22324 79428 63115 19738 72591 807.6718@0.809 16579 1 12079 14515 12365 16389 11820 19004 20140 14836 13571 35438 5619 18616 21733 7443 7960 Flupropanate nullnullnull13.087998 1 1 16349 7979 9978 19292 16094 8594 8382 1 22493 11097 10909 1 11882 18402 10552 cis-2-Carboxycyclohexyl-acetic acid 12936 11159 10868 7138 10005 9547 10863 11101 11793 19002 20069 17742 18368 18900 14328 12964 14298 C3 H2 N3 O S3 nullnullnull1.0270002 143034 571349 136056 194871 127914 180030 145894 159294 153012 180340 132738 174678 188285 121396 185347 187144 151342 nullnullnull9.960001 9564 9413 35992 9836 10902 10433 11061 10159 17156 11154 10128 10201 12449 32385 13210 20666 15606 nullnullnull13.707 :1 26156 61038 23907 35995 23975 55912 9911 23166 20013 1 18305 25467 9293 28530 9174 19595 21024 > limit nullnullnull16.796999 1 1 209093 1 1 203625 217445 130634 67179 101477 158651 1 160157 1 1 243347 1 > limit nullnullnull0.83300006 :1 1 24910 1 1 1 1 8319 7404 12125 1 5938 1 1 15224 5907 26615 1 C49 H76 N4 O12 nullnullnull16.888 1 84469 1 90766 98251 1 1 392954 189303 277415 1 110887 461842 1 236223 587190 111680 C14 H2 N4 O6 S2 29212 134027 1 1 1 1 46769 36305 44878 1 43533 1 53564 53657 36410 127031 19991 C13 H8 O16 15722 18609 20057 17748 15566 14120 12559 13340 12000 12849 11544 12910 11529 11316 12300 11388 13373 823.6654@0.81099993 20277 10705 1 1 1 1 13946 21482 23439 1 13634 14269 15101 18309 19800 7253 10874 Rishitin nullnullnull8.675001 16439 14887 20550 17420 16111 15558 16393 14899 16529 15117 15151 14256 15762 12927 17048 16969 14974 C6 H2 N O5 S3 17948 1 11519 12690 11372 18015 11921 11897 10399 12594 10546 11055 9427 10826 9195 1 10941 nullnullnull0.824 14737 7516 1 1 1 1 13750 18680 17095 1 13230 1 8039 12662 16401 8159 12381 PD 173074 nullnullnull13.779003 13473 15197 13981 20623 14153 16057 9697 18417 14245 8952 11329 21563 16139 25543 17666 16509 13517 > limit nullnullnull0.8319999 9060 22693 1 1 1 1 13984 11090 18445 1 11348 1 1 20881 10810 25290 1 C41 H80 N2 15708 12481 1 1 1 1 16023 20328 18504 1 21629 1 6634 15365 17358 8014 12893 C49 H80 N2 O12 nullnullnull17.057003 :1 1 56397 1 45352 95248 165008 299239 135164 56468 193356 606888 165274 172484 1 28954 689062 1 C52 H75 N4 O6 nullnullnull15.589997 :2 1 1 167719 49691 99381 611618 486665 60997 173479 167894 338275 1 140206 1 126064 700836 1 nullnullnull0.83000004 15365 13959 1 1 1 1 17329 16754 17359 1 16532 1 1 18529 12907 16621 10607 C43 H57 N28 O2 1 26378 224838 1 1 295956 249721 144985 1 1 231094 1 177168 1 1 293705 1 C48 H70 N9 O7 nullnullnull14.972063 29249 79603 111977 45281 68837 517601 344544 160526 22225 180491 428863 30115 75209 1 12018 859176 54209 C6 H4 N O2 S3 nullnullnull1.1499999 120456 182721 34103 1 31470 1 89662 116806 102112 1 1 1 1 70993 22076 161790 25050 C7 H N S nullnullnull1.0489999 64298 56356 75718 84512 78113 81012 55370 73942 1 80710 14869 88462 91790 25815 82487 1 81307 Macrocin 1 1 59202 1 1 89919 105363 44883 1 46186 108668 1 55508 1 1 125157 1 Valiolone 18991 15369 10229 1 11396 1 17046 17599 14730 1 13138 1 1 14869 7141 20736 6507 C13 H17 O4 nullnullnull13.707 10837 1 11301 12737 12526 14519 13423 10492 10139 7345 17045 13961 14159 1 12208 13847 13386 Fumaric acid 10759 1 1 1 1 1 8246 11808 8843 1 7280 1 5825 8876 1 10913 1 C15 H8 N5 O10 S 14209 1 17107 19816 18238 19592 12788 8470 11849 19263 18972 16953 16521 14626 16891 1 17719 C31 H69 N22 O4 S 1 23589 1 55383 66052 1 1 211027 107610 123455 1 78295 264374 1 160195 1 87323 314.1368@5.8450007 17004 22065 14264 12326 9762 12822 21810 14838 9854 11310 16619 10612 14380 9244 14683 16878 18507 1043.301@0.8349999 1 19833 1 1 1 1 1 5825 9293 1 1 1 1 10308 1 17150 1 > limit nullnullnull0.83300006 :2 6390 18922 1 1 1 1 8744 8019 11100 1 5948 1 1 12643 7430 18527 1 C19 H5 N O17 S 95959 104119 102850 204119 100036 171161 166160 92947 93294 179467 100962 103181 110882 95142 188495 192868 103935 C8 H8 O12 18577 1 12843 15444 12885 5949 12115 13279 12965 15323 12367 12452 14025 11996 12059 1 15149 888.547@17.747 1 1 154767 1 1 1 1 91259 103607 126418 1 1 157201 1 1 69634 1 519.7736@0.81400007 23481 12722 1 1 1 1 25097 24835 31084 1 24842 1 14435 36633 25172 14638 18235 187.9371@0.8059998 317609 12905 115336 92565 68936 81485 278882 388293 363186 60319 330487 194263 267721 307700 378335 19047 284492 C34 H45 N29 O 11339 17513 1 1 1 1 10309 16085 17196 1 13466 1 1 16350 12471 15780 7023 nullnullnull0.81099993 :5 23730 43332 1 1 1 1 11609 27123 22505 1 21893 10366 25755 30369 38759 37654 21706 Chinomethionat nullnullnull7.849999 79900 72735 77393 63414 36578 36083 37102 31179 33250 28063 30846 28128 27552 27377 24907 27627 28827 C56 H86 N S2 13053 10404 16166 14305 12952 13762 14198 11596 10761 7820 14049 10961 11980 6471 13238 16182 13827 291.8764@0.89200014 12718 154160 13648 11396 14808 2899879 14512 10397 682035 4283491 11120 10586 11529 579222 14200 151533 15439 C17 H18 N2 O19 S 8444 6101 8230 1 7131 5852 8784 11423 10474 8722 7593 1 7526 9396 6959 1 9274 C30 H68 Cl3 N15 O7 S3 1 26337 1 1 1 1 11762 9060 11852 1 8356 1 1 14106 7646 26281 1 767.6561@0.809 13885 1 1 1 1 1 8045 15226 16714 1 8463 10273 9659 13752 19490 1 7198 > limit nullnullnull14.88 1 1 16355 1 1 19298 13236 22929 16272 15078 8089 15864 18257 1 1 1 16467 C39 H56 N8 O S 11406 7337 15837 12612 12146 12384 13214 11323 9911 7415 13586 11848 11990 1 13424 14428 13075 "PS(19:1(9Z)/22:2(13Z,16Z))" 14090 22527 1 1 1 1 10530 17245 12879 1 11984 1 10174 14876 18405 20099 5379 > limit nullnullnull0.83400005 :1 1 20124 1 1 1 1 6795 7983 10402 1 5601 1 1 10696 1 19383 1 15-hydroxy stearic acid nullnullnull12.22 17253 15926 18889 17956 12454 11912 16156 15945 14285 11081 10627 14483 16261 18787 15743 18953 11905 C60 H94 Cl S2 7349 1 1 1 1 1 1 11724 12523 1 8363 26279 6012 12076 14128 1 1 Dimethoxane 15761 18527 11974 16475 14507 16566 14323 15068 14066 14762 15094 15601 17876 14263 14623 17422 14442 801.4172@0.83000004 13843 20335 1 1 1 1 17180 15141 22452 1 10480 1 1 24508 18537 24955 8595 4-Methyl-3-oxoadipate nullnullnull0.82100004 153415 554429 75463 145170 79799 140137 262681 42240 205366 232095 201062 96562 32289 211951 216911 40262 9830 "5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid" 10057 14135 10087 10164 9240 10161 7520 13895 7588 7726 7741 11109 7806 13709 8279 8792 8011 999.3124@0.837 10398 58983 1 1 1 1 17289 13346 22769 1 10418 1 1 21534 11269 61790 7858 C33 H51 N15 O2 20018 15757 18360 16877 11789 11643 10125 12758 9923 11939 11343 12535 12164 12655 13751 14352 16086 C11 H3 Cl3 N4 O8 S5 51284 16957 7407 7506 6630 7811 37083 57827 56547 1 42137 20951 35033 53427 68389 10093 37710 Hydroxyphthioceranic acid (C46) 16373 1 8276 7916 8059 8890 9934 16572 12843 1 8289 15754 16599 17101 17399 1 11341 937.7065@13.583 1 64157 92518 1 73702 1 75014 66281 1 1 21576 1 1 1 1 26189 1 nullnullnull13.707 :2 14046 10606 1 42629 71920 20295 19669 8866 7880 30334 29382 15400 1 68660 1 33206 22455 473.7964@0.8059998 9061 1 18125 17814 24546 15099 8122 11774 8557 18480 7720 15370 7770 6360 14479 1 6038 nullnullnull0.8190002 :4 15976 28249 1 1 1 1 16969 15204 16575 1 16329 1 11766 21515 15987 26531 11990 "LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) nullnullnull11.0460005" 69213 211830 196867 66397 67286 430088 558874 312129 137810 115365 6666 99715 162015 25538 74757 493663 85031 C16 H12 Cl2 18629 5759 7404 12799 10462 7032 8622 9726 7940 1 1 1 7770 1 8489 1 9801 Athamantin 15387 20211 13316 11815 10951 18536 18141 13287 1 10585 14511 12561 21929 1 13305 17912 16024 C13 H2 Cl2 N O12 S4 30395 1 28237 17668 11730 16369 18905 33604 19628 7055 28734 40608 48903 18010 59119 1 40602 > limit nullnullnull0.8319999 :1 6046 20916 1 1 1 1 10059 9733 13882 1 6919 1 1 12399 1 21157 1 > limit nullnullnull16.769 1 1 207315 1 1 261839 251947 141229 77206 115886 242308 1 173794 1 1 301151 1 811.57@17.574 1 42459 1 1 188808 1 1 241044 180241 143588 1 1 33906 1 1 1 1 C14 H8 O18 15991 15522 17743 15455 12954 11213 12025 11689 10313 11710 12482 10443 11743 11050 13233 12026 12655 nullnullnull0.782 65065 1 91833 1 103479 1 46284 17446 39427 52114 1 1 72242 1 68488 1 1 128.0085@1.2250001 339345 35795 817125 1598003 897471 2069059 372846 258560 360289 1736995 816189 1161255 1081477 307035 1060895 35270 675526 PS(21:0/0:0) nullnullnull11.572999 :1 24322 61346 39430 15629 23097 86941 94857 49644 42542 39842 99946 16643 34514 11749 15745 112387 20216 C37 H19 N5 O28 nullnullnull1.297 56138 78374 1 25168 66555 1 1 27445 1 49570 1 1 23761 40941 25233 44488 1 (E)-2-Butenyl-4-methyl-threonine 9090 17485 8489 9450 11732 9823 8143 8442 7478 6857 7893 9528 8722 13641 9658 8790 6470 C13 H9 Cl3 N3 O13 31572 48853 7669 26703 28320 28955 16902 20811 27860 43937 18128 64828 28118 1 1 23033 1 C19 H8 N O23 S 1 1 32279 21109 29152 37117 38836 25629 23280 1 17978 1 10035 1 1 11835 1 "17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone nullnullnull13.708002 :1" 18166 7983 23209 25904 22935 30587 32661 22220 20574 14265 37285 24299 24759 9193 23304 34792 26357 C9 H2 N S5 47631 10129 12539 10848 1 1 43482 56588 61291 21242 48179 1 48746 54854 54526 11456 48163 C6 H7 O9 15511 16087 14395 11565 11143 13702 12010 9094 10207 11154 12402 11715 13258 16534 15046 18257 13785 C49 H85 N5 O S2 nullnullnull13.714997 :1 68661 17260 52906 70564 202323 1 23200 569800 433204 156663 31807 54870 35390 22237 21329 44085 295150 C39 H70 N9 O2 7625 18214 1 1 1 1 9981 12438 13359 1 10865 1 1 17823 11178 14911 9575 C9 H4 O13 S 1 1 1 30093 12959 76042 26395 87286 21392 36540 198494 22358 36048 1 1 7274 1 C39 H80 Cl N10 O6 S 62245 37373 466658 1 45798 508674 444647 119919 133782 137403 413013 59566 142014 1 191088 312394 79361 > limit nullnullnull14.023001 1 1 17966 1 6884 23366 10437 7518 1 1 17210 1 12572 1 1 11064 1 > limit nullnullnull15.086 1 1 16693 1 1 21738 21799 12937 12219 1 21732 12192 13823 1 1 10124 13851 C14 H10 N O3 10528 9157 8285 11307 10982 12436 11525 10782 9109 10706 9215 10895 11863 13949 12019 11573 12758 nullnullnull0.861 673822 1 799549 782769 1164729 795867 649698 378186 320827 1233477 753600 1250433 673579 627719 588108 399444 617312 C9 H2 N2 O11 S2 nullnullnull0.81400007 18751 57872 23309 16204 11930 11106 18458 16956 22988 1 16791 12179 10132 25413 14789 57491 12122 C46 H66 Cl2 O13 7412 17408 1 1 1 1 8628 8519 13221 1 8311 1 1 16959 10223 18167 5557 C16 H7 N2 O4 54810 16633 18886 23716 23736 14161 19756 21380 18658 8677 11710 11312 15609 14085 19403 1 18363 C29 H53 N O4 15119 13660 15621 15720 15235 14628 12212 14835 12514 13358 16060 13998 14730 16162 15827 16821 16865 C4 H4 N2 O6 S nullnullnull0.94600004 59004 33605 52439 53967 51702 52824 27127 13678 74686 46537 63458 47435 181990 29242 20151 47531 68791 C19 H8 N O23 S nullnullnull13.087998 1 1 21108 27550 55382 57256 66699 26628 39955 1 34467 13434 15224 1 19029 28975 10897 > limit nullnullnull0.83899987 7110 18854 1 1 1 1 7918 8499 10636 1 8506 1 1 10790 8156 16718 1 C32 H69 N27 9378 10363 1 1 1 1 7090 14300 13419 1 10488 1 5628 9299 8439 7756 1 908.8765@0.83899987 1 15956 1 1 1 1 6667 6488 9256 1 1 1 1 10048 6352 16735 1 C11 H19 O12 S 13830 16559 14477 14948 13541 14700 15361 16322 14981 15000 15562 15152 16278 15552 15272 16193 17245 C31 H40 N O2 20117 11927 24058 22150 23757 10686 8094 21664 22555 16814 12942 25146 25455 10983 25506 8600 26651 C9 H4 N6 O8 15761 16262 15473 15437 15573 15032 14946 13845 14357 14838 15134 15406 14791 15462 16768 16042 15787 nullnullnull0.828 :2 1 14532 1 1 1 1 7073 9433 17486 1 11292 1 1 16696 13134 12978 7865 nullnullnull0.83300006 :3 7236 34585 1 1 1 1 10704 10819 16010 1 10521 1 1 20539 9584 29276 6418 C33 H58 N3 O6 S 8487 8789 16009 10937 9948 10859 7661 8853 8208 9326 8744 8814 10262 9742 11533 9248 9659 1613.9813@17.91 18675 1 1 1 202262 1 1 216398 57243 1 1 1 1 1 1 1 1 C31 H N O5 S 55625 92825 88598 52818 54341 55516 25796 96851 48737 45872 28793 81720 80398 1 74129 62711 96787 C42 H67 N13 O 10098 16874 1 1 1 1 8396 12253 9019 1 8611 1 6468 8927 8552 12974 10392 991.3655@0.829 7916 16147 1 1 1 1 7384 9036 9516 1 7013 1 1 7388 6149 16892 1 C12 H25 N7 O9 19991 25775 31392 27378 22889 22469 22827 20954 33046 32332 24852 23139 34705 34787 25505 28601 36995 C23 H39 N12 O2 243454 240443 384814 238835 238647 272337 230696 220939 224472 232755 250661 228092 256046 238895 274104 262266 261532 C8 H2 N S2 nullnullnull0.7580001 414770 493289 228031 219551 187159 189193 212778 162479 154274 140641 112202 141314 165123 159120 56303 313844 164149 183.907@0.82199997 79496 362553 1 1 1 1 101721 92659 124148 1 85912 1 30490 140931 74626 380455 57872 C20 H2 N O21 S nullnullnull13.406999 48644 13127 49583 1 56936 63734 13021 62861 1 27542 41333 1 1 1 1 13338 7942 598.6374@0.82199997 17041 5845 1 1 1 1 10530 16105 14102 1 16608 1 12421 14206 16732 6275 14790 245.9468@1.2159998 10907 1 17145 18046 15268 15083 7193 6486 8004 13973 11246 13466 13436 9313 12767 1 14618 C21 H N3 O13 34480 82348 19196 21492 32166 101300 78393 99980 70783 140464 112146 106275 22648 32902 49331 109699 115390 C13 H2 O4 18085 13387 11089 15415 10583 10343 10636 10482 11816 9576 10144 8087 31151 10863 10913 13643 9438 Tricrozarin A 15185 6083 7642 9651 8925 5950 7588 7468 6468 1 1 6237 7295 1 7212 1 7195 C32 H49 N2 O S nullnullnull13.722177 20136 12543 12339 16536 5738 18780 31180 27187 21936 59726 42998 25366 11018 16370 14102 9034 14838 C38 H69 N18 O2 1 1 6808 6913 1 10150 9608 6824 1 1 17018 6071 1 1 1 10616 8763 Phytuberin nullnullnull13.405 :1 20228 27580 53447 37849 41234 101697 84291 30754 27799 30615 105783 24864 41032 16745 31107 46682 31251 491.6912@0.824 17600 33136 1 1 1 1 12054 18336 15025 1 14463 1 1 18492 12478 27112 5897 440.7313@0.82499987 15067 7230 1 1 1 1 15814 21047 22442 1 17697 1 9813 18186 18883 10849 16802 C24 H11 O13 10253 10969 10114 8176 8085 8405 9337 8983 10057 10680 10570 9660 10929 10093 9947 13618 11218 C45 H73 O8 nullnullnull17.316 1 1 1 1 1 234753 305752 30312 80267 108960 237761 1 154676 1 1 578923 1 C6 H11 O11 nullnullnull1.287 25971 18659 26229 30724 27505 35027 20770 19495 19457 37277 22550 28802 27279 21552 23228 18089 24352 C48 H79 N5 O7 1 1 238608 1 1 182311 219066 170379 145560 243226 137878 1 76650 1 1 372767 1 "PE(16:1(9Z)/20:3(5Z,8Z,11Z)) nullnullnull16.638" 82366 118043 1 122940 68856 1682928 1276340 905466 147564 199173 943992 210141 450210 1 157196 725091 182510 C25 H58 N28 1 88549 1 151919 169102 819697 587826 405372 280917 228392 521974 91075 232944 1 61799 1581531 71915 99.9647@0.89399993 1 1 1 1 1 1 10464 58376 47561 1 1 1 1 1 37450 1 53935 Nisoldipine 11078 13454 13826 13992 10460 9468 7471 8374 9651 8458 8570 9895 9447 8181 9466 8838 7953 7-xylotaxol B 12483 21767 1 1 1 1 15420 13392 13518 1 14101 1 1 18435 12577 22518 8808 C18 H25 N6 O 51846 76827 65054 73941 49136 70395 59269 50098 46593 53027 51904 37684 50441 46289 53485 54925 58796 Phytuberin nullnullnull13.089001 :1 16249 1 59501 45046 41391 96713 86643 41573 37059 7845 117389 41799 41975 1 36409 83274 40019 "PE(P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))" 175574 125438 319390 67831 114992 1430128 1026078 435730 178150 210270 1017089 202387 360025 1 192021 379938 84031 C4 H Cl N S2 20375 109645 1 1 1 1 24004 20881 27591 1 21457 1 11855 32702 20231 111103 14478 C18 H3 N O17 S 107982 271139 128620 86792 111090 38744 90380 114861 121588 80925 133871 136600 117256 58570 152357 141483 116599 C18 H3 N3 O15 nullnullnull12.925999 24146 68807 92178 96963 64224 103688 70052 91586 77549 98522 57095 96922 97704 98155 102148 46377 102528 nullnullnull0.83000004 :1 13975 27565 1 1 1 1 17009 15254 25339 1 16174 1 1 25494 15023 28436 10812 PA(O-18:0/17:0) 15766 9477 1 1 1 1 18929 13479 20817 1 12791 1 1 12802 14645 1 9805 C41 H60 N4 O2 S 12612 12945 13516 12078 10891 9066 9033 8949 8294 10140 8989 10287 10252 11906 10678 13005 11258 nullnullnull0.83899987 :2 12979 72515 1 1 1 1 21636 16197 22475 1 15323 1 1 26672 12936 71450 9478 nullnullnull0.83000004 :2 9638 8080 1 1 1 1 8745 6269 11587 1 10845 1 1 9642 8700 9458 6780 C27 H55 Cl2 N2 O 1 1 17758 19992 13014 41636 15396 14191 14270 9259 49154 15120 13531 15647 14738 25067 15004 C29 H65 N30 O2 S 1 1 200849 1 1 352093 278929 110092 39660 67375 240924 1 116278 1 66689 248278 1 C10 H19 N O10 29613 34802 23993 38905 29591 19008 32617 28344 26675 28628 32247 26500 34196 29002 33636 46679 26765 383.839@0.81200004 41924 101451 10524 9202 11734 8674 41740 46909 47691 1 42511 20414 21885 58020 51358 106705 25129 C54 H86 N8 S 10762 8602 18814 13632 11183 25482 19817 8962 8531 7614 25749 6963 12005 1 11052 12624 10029 Trinexapac-ethyl 13840 11943 13553 12432 10402 11392 10147 11739 11351 9277 9846 11684 11316 11335 12505 12259 12211 C17 H4 N2 O12 S2 11930 29002 1 1 1 1 5869 21492 7889 1 1 1 1 5002 8222 29416 1 C41 H78 N7 O4 S 1 1 12774 9825 6239 18057 17570 6660 7105 7257 19835 1 6649 1 7629 10415 9739 C15 H Cl3 N2 O10 S5 14398 39034 1 1 1 8340 11213 16504 17438 1 13491 8217 13343 17476 15721 37038 12878 C34 H70 N19 O3 1 1 8286 6847 1 9907 10377 7563 1 1 15703 6473 1 1 6498 10358 8334 nullnullnull0.8100001 13157 1 12189 23083 1 13987 8048 18206 14249 1 11798 32541 12039 12706 19190 6801 5700 C50 H86 N4 S2 nullnullnull13.408001 :1 13314 9606 32945 19978 10520 35598 31982 15747 6819 12602 37767 9683 19609 8922 19666 23018 14777 "PE(P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) nullnullnull16.513334" 175574 86380 1 67731 114992 1398341 1026078 435773 177428 210287 1018107 202387 360025 1 192021 379982 84014 C14 H Cl3 N2 O7 S5 nullnullnull0.809 16438 11701 11764 10503 10433 12743 19315 16556 21296 11870 19710 24434 15266 24842 25799 14913 16871 C28 H63 N25 O4 14246 9733 1 1 1 1 11661 13101 13432 1 11717 1 10187 11832 13915 10018 12001 Butroxydim 9845 9861 13555 12082 8668 9314 8482 8949 9022 7331 7957 7372 8794 8972 9105 10298 8715 C4 H5 Cl N O 11651 14312 8932 12237 8256 8519 7951 9645 1 7852 1 7793 8807 1 1 13950 10525 C15 H34 N3 O16 18672 22274 23562 22379 17816 18598 19263 17055 19365 17646 18553 20066 20673 21074 21689 20759 21404 1135.2384@0.83 6644 17220 1 1 1 1 8568 6477 10783 1 7811 1 1 10644 7353 14655 1 > limit nullnullnull0.8319999 :2 6836 23867 1 1 1 1 10207 10084 14196 1 8045 1 1 16990 6607 22913 1 Neu5Ac?2-3[GalNAc?1-4]Gal?1-4Glc?-Sp 8675 17977 1 1 1 1 11120 14733 17527 1 13703 1 1 20892 12129 21275 6395 C4 H4 S3 nullnullnull1.061 1 203640 1 1 141802 1 132098 63394 163876 80283 136298 1 114079 31134 1 183007 1 C11 H15 N7 O5 12589 14183 16158 12382 11934 12045 10626 12692 10746 11505 11875 10438 10215 11401 10744 14334 13439 Condurango glycoside A 1 1 107385 1 1 150762 130350 69190 1 47406 137091 1 85804 1 1 133928 1 > limit nullnullnull17.505999 42207 1 49808 53232 39270 42494 24720 58671 48413 27473 21282 80552 48024 15102 30455 29973 91655 C6 H6 N6 O5 nullnullnull1.632 :2 70806 47451 51294 51626 41379 46879 43681 42501 50060 37790 36659 36452 50741 50181 66900 43297 49782 C19 H N2 O22 S 1 1 37486 40271 29217 26842 30784 57333 42430 1 26525 17278 27126 1 32167 30725 22172 nullnullnull0.822 28896 164940 7368 6580 1 1 36688 46900 43682 1 30151 1 1 47163 25016 164887 18131 Tazobactam 10055 7284 7072 7724 8826 11989 8944 10039 7944 8121 8940 7482 9536 12901 7266 9948 8063 943.3525@0.83699995 9015 44159 1 1 1 1 14635 10414 11934 1 8625 1 1 17326 8155 42252 1 C32 H60 N6 O8 12418 21705 14527 13498 10081 8978 9833 6900 13816 8021 9610 9703 8512 9850 9538 11292 10940 didesmethyl tocotrienol 7821 8896 11850 11495 11055 11745 9173 7331 1 7276 8695 8476 9047 6876 9672 9128 9692 C24 H45 N8 O4 nullnullnull14.072002 14494 80835 60667 133690 43207 10218 66354 79514 1 1 55930 45943 193318 55910 70590 199459 155211 731.6885@0.813 16385 12809 6831 1 1 1 9790 16238 16897 1 13660 15033 13169 19053 17727 11328 9767 C18 H2 N2 O18 nullnullnull13.707 :1 1 12791 10265 10281 17818 24298 22444 8148 13282 14923 13771 12038 11759 1 1 12893 11697 "4,7-dioxo-octanoic acid" 16451 11516 11587 13500 10381 11209 1 11921 13494 8971 12384 15250 11273 15088 13022 12381 12268 C3 H5 Cl3 O4 S 19082 1 19508 21860 18539 19305 14416 26438 22269 22682 18902 41272 23791 21773 28931 1 20765 C29 H19 N14 O2 33139 1 1297464 455499 318720 864756 1153185 209887 461692 216856 1690042 15331 560623 1 543266 11561 70189 526.6604@0.8319999 7226 16394 1 1 1 1 9657 7387 12512 1 9814 1 1 16820 10158 17925 1 C32 H49 N2 O S nullnullnull13.406499 32668 1 19954 86443 21583 41253 18110 32754 18868 1 1 34937 50752 1 1 19915 35028 nullnullnull0.80299985 189590 1 187489 235445 227430 258956 137146 259253 196561 235497 209074 476882 230924 220762 327406 1 229893 C49 H85 N5 O S2 nullnullnull13.697999 31720 14634 443536 517543 25555 430868 1 14915 14369 77983 16944 1 1 41383 16977 17323 1 C4 H5 Cl N O3 S3 199128 136930 23001 14449 7857 8805 176063 197738 231796 1 183916 23921 107769 227654 190638 142215 140825 C17 H3 N3 O6 nullnullnull0.8839999 :1 226681 10543 913133 1694066 1057072 1697011 169013 108366 206744 1950269 483120 1510469 816784 322198 580978 14441 673340 C18 H26 N2 O10 11067 10634 12777 11763 12320 9402 11099 10506 9749 10697 12406 10900 10949 11065 12322 11764 12184 C24 H49 Cl2 N6 O2 144863 126154 139321 160324 146282 82374 103061 136551 144723 143811 98965 129861 142509 159253 137420 143197 141167 C35 H53 N12 O3 13267 11409 15421 11888 10843 7876 8723 8744 7386 7233 8366 7654 8490 8567 9732 8971 8804 > limit nullnullnull17.415003 :1 1 1 1 1 103488 180129 123661 103093 99773 69038 154930 109917 136895 1 66479 77194 105923 880.8897@0.841 6750 13197 1 1 1 1 7338 6796 10318 1 1 1 1 10798 1 14499 1 "5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene" 8394 6114 6346 7553 7419 13329 8928 7127 7543 6950 7910 8279 8931 10861 7482 9174 7638 C40 H81 Cl N O 7872 8313 1 1 1 1 7344 6214 12741 1 10683 1 1 10049 9315 8862 1 C32 H49 N2 O S nullnullnull13.707003 1 20067 12339 32352 6625 22243 7103 45626 1 101252 19445 26525 11286 27160 46495 9850 56434 C40 H Cl3 N3 O21 52867 30176 8890 26407 19242 12911 12826 6693 11525 1 32681 10698 11378 1 12191 9667 17379 C7 H10 O3 S 15442 12026 1 8622 10355 1 8330 8097 6114 1 1 1 1 1 6847 6772 5826 2-Methyl-3-Hydroxyethylenepyran-4-One 13905 10584 8079 8781 9711 12123 13130 14243 12679 11736 11975 9700 10629 9351 6906 7557 7251 C15 H2 Cl3 O14 S4 5546 1 8997 10454 9979 9466 1 11078 5805 10348 7102 25934 8647 5802 11583 1 6502 C16 H Cl3 N6 O6 S5 11370 1 15212 1 1 1 1 10336 9215 1 8183 1 1 11234 11086 1 1 2-methyl-dodecanedioic acid 11953 11116 11741 11123 10018 12736 9831 11628 11259 9787 11368 10571 10417 9711 12070 11950 11849 983.9967@4.681 1 1 1 38248 1 139096 1 75133 1 1 1 1 108086 1 1 75745 1 Indole-3-carboxaldehyde 18696 21275 22390 16945 16376 20839 20780 15772 11332 13873 18133 15227 18058 13212 16027 19846 19839 449.9787@13.087998 1 1 39946 28769 24236 19423 40324 9483 25517 1 17647 20964 9714 1 27273 11274 18261 4-Heptyloxyphenol nullnullnull9.475999 :1 76450 76382 79886 73893 76683 76636 73810 73975 78356 76646 77727 66604 74573 75480 73257 74457 76212 Adenosine nullnullnull3.1300006 :1 35952 43017 34717 52133 35538 22934 37512 32634 31981 33461 32415 30778 36615 35058 39051 48249 30949 C44 H61 N22 O2 1 49286 1 38669 55994 1 1 169384 127611 177953 1 41867 219365 1 124503 1 42431 C40 H59 N16 nullnullnull15.384001 1 1 78278 1 1 194993 136799 61269 39176 64712 113694 1 1 1 1 218706 1 Ser His His nullnullnull10.023 8897 10405 12476 13641 7949 10313 10192 9468 10656 13443 8871 11255 10690 9320 15448 12019 10114 1057.2794@0.837 12106 54488 1 1 1 1 15478 11485 21367 1 12843 1 1 23511 11789 54345 7157 C41 H74 N8 O4 13245 23186 1 1 1 1 14331 14039 17105 1 9511 1 7637 15032 9981 21976 12395 nullnullnull0.8319999 6411 10386 1 1 1 1 8772 6474 11681 1 7476 1 1 12862 7746 10912 1 C48 H81 N2 O2 S2 26555 35745 34357 41809 28805 42843 51460 35957 23229 21348 13155 48842 18923 25362 33295 12011 15074 C18 H34 N7 O2 nullnullnull13.708002 14570 12391 11396 11450 12568 11939 13408 10352 12409 14514 12107 16319 11585 12681 16544 11890 13505 nullnullnull1.2619998 28967 35353 32630 36871 50505 28721 19462 31680 28505 33243 32168 29829 33941 52497 29653 55339 41635 938.709@16.101 1 1 37586 1 1 44913 1 32476 19893 1 1 1 1 1 1 44461 1 C16 Cl2 N O12 S5 13253 30164 9235 15480 13465 15162 13226 14104 14252 9806 10109 27410 6339 15387 13384 29206 5523 C3 H5 Cl3 S 462088 85074 460475 374493 371382 361077 408824 474072 379604 278791 452773 611256 655149 355701 467185 86540 537482 C7 H8 N O7 S2 16469 12738 11624 9677 9323 10254 9034 12442 9833 11448 9714 9624 8607 13676 8681 9138 9358 C41 H76 N4 O S 7682 12921 1 1 1 1 11064 9268 13869 1 6164 1 1 9953 5695 14692 5724 "3,5-Dinitroguaiacol nullnullnull6.817001 :3" 151970 393476 390131 238399 303615 566401 243503 328714 230174 437188 401065 409447 697087 206179 453473 453967 407242 C6 H11 O11 nullnullnull1.287 :1 25971 18659 26222 31385 27505 35009 20770 19456 19457 37277 22550 28802 27279 21502 22944 18089 21118 Adenosine nullnullnull2.937 10857 15989 7335 20450 12545 31749 17907 10692 10585 14439 15056 10577 17335 12720 14492 42169 11289 nullnullnull0.815 6473 1 1 1 1 1 7755 12661 6864 1 9158 1 9610 9290 9313 1 5985 C34 H57 N8 O2 nullnullnull17.531002 35730 35518 45345 44991 40043 28713 28724 39279 38697 35980 22055 36692 41480 33055 39215 28084 39574 C53 H64 O2 S 13462 44113 1 1 1 1 15314 15953 20870 1 13925 1 1 20485 12713 48020 7061 > limit nullnullnull0.83400005 :2 1 24907 1 1 1 1 7301 7464 12303 1 7579 1 1 13645 7748 28267 1 C40 H75 N5 O2 11040 1 1 1 1 1 10220 10999 12964 1 9071 1 1 11262 8887 5951 8381 C22 H8 N O24 S nullnullnull13.087998 1 1 42691 8829 40113 45665 61798 39135 20875 1 23412 1 17287 1 14611 29396 1 C40 H74 N17 O2 nullnullnull16.671999 1 43917 96832 1 1 1 68296 187814 1 31306 90629 1 236379 1 1 63168 1 C18 H3 N3 O15 nullnullnull12.919003 43749 107836 74552 77325 54586 74479 71600 90138 76131 128839 59036 71773 97704 16058 105701 133272 115574 C22 H3 N3 O13 nullnullnull13.087998 100071 67332 90879 91838 76133 69129 30063 82024 67954 20162 17123 95930 90365 86330 88486 103567 89203 C41 H74 Cl N6 S 7828 10705 1 1 1 1 8552 5288 9716 1 1 1 1 13316 8942 10422 1 C49 H43 N17 O 9666 53421 1 1 1 1 16090 13909 16366 1 12794 1 1 19817 11448 57305 8088 439.9532@13.087998 1 1 55957 37416 39203 58141 50950 17482 36836 1 60423 30460 42961 1 40088 37216 41308 C43 H69 N4 O3 19774 57966 1 1 1 1 26425 25251 30212 1 23365 1 6387 35286 20255 55003 11725 C13 H Cl3 N3 O12 S4 14249 18095 1 1 1 1 10764 12408 11799 1 11033 8204 10382 17282 11264 16395 9002 C35 H76 Cl3 N9 S3 27070 1 1 1 1 1 32166 28603 39101 1 27635 1 10142 41364 28147 13511 18065 "4,4'-Methylenebis(2,6-di-tert-butylphenol) nullnullnull13.696" 8907 8931 25429 15177 14410 19647 29021 13544 12710 9000 47942 9579 8903 7328 15258 11015 10795 C44 H73 N3 O 9908 1 1 1 1 1 7642 10312 7492 1 9177 1 1 6690 9399 5839 7025 Aspidinol 11861 11253 10469 9224 9584 9942 9246 9542 9101 7928 9733 10547 10022 10720 10998 10131 9863 C10 H Cl2 N O10 S3 7274 1 13794 13500 13836 12874 1 9211 9888 15856 7092 23139 7943 8164 13097 1 1 C16 H7 N2 O18 nullnullnull13.031999 67580 23806 64777 64388 80212 27898 81289 73019 23191 91950 92066 87114 68947 76006 83053 99854 17341 813.4098@0.837 11297 17228 1 1 1 1 10684 11396 16287 1 10669 1 1 15875 8553 14950 5571 C42 H87 N6 O13 8184 1 1 1 1 1 5954 10601 9741 1 5469 12436 11756 9450 14248 1 7017 "PE(20:3(8Z,11Z,14Z)/0:0) nullnullnull11.227999" 1 6689 8145 1 7585 12995 27300 11242 6723 1 24982 1 1 1 1 111298 1 C32 H71 N24 O2 S 1 1 1 1 46565 1 222952 59202 77464 115808 228242 1 107790 1 73255 294556 1 C48 H69 N3 O8 18203 1 57847 1 1 206055 150588 70269 25453 30542 165386 30301 54781 1 24118 57058 1 C34 H52 N14 O nullnullnull6.5800014 32211 30461 33364 30474 24758 22247 20086 23598 20709 21872 23058 22309 30428 24596 27453 27839 26037 314.1371@5.6459994 10754 10169 8787 6145 6351 1 12227 8285 1 6065 8301 6591 9866 1 8056 8864 10920 C54 H86 N8 S nullnullnull13.408001 8712 7165 14864 11904 9184 21312 16592 7235 7184 6503 21481 6248 10259 1 9329 10765 8439 372.0733@10.093001 8742 9009 6214 8040 8749 12274 10228 10113 9300 6311 8473 7660 8639 12037 6789 9991 7924 "2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane" 1 1 16631 35017 27385 25861 7746 25545 1 1 1 1 42523 1 38761 15666 1 C29 H65 N25 O3 1 60895 138110 1 124172 1 282369 232320 208663 126749 136138 1 48999 1 1 726207 1 C11 H6 Cl2 N O10 S4 32698 81701 9301 1 10921 1 31123 26249 37316 1 27609 1 8678 40186 25494 70227 19594 461.7454@0.81700003 9864 10671 1 1 1 1 10753 12573 12686 1 9011 1 1 11227 9306 10747 10431 190.8663@0.873 10869 1 12514 1 1 1 12644 10965 8515 1 8386 1 1 8624 9499 7593 6032 292.8628@0.89599997 7621 1 8457 7189 8926 478561 7478 6463 111641 713359 6150 540034 7438 7104 7502 1 8697 C34 H52 N14 O nullnullnull6.5800014 :1 32260 30940 33362 30474 24758 22247 20086 23598 20709 21872 23075 22309 30428 24596 27453 27819 26040 C31 H2 O6 S2 1 1 19069 26360 28714 21393 113112 33781 25373 1 39818 7316 17070 1 5449 13597 32609 207.908@0.82100004 7157 1 18609 11845 10097 9787 6548 6797 1 1 1 12448 14299 1 6227 1 6166 TRIBOA 77578 144748 162645 198640 172307 176227 56726 59723 41847 54305 58230 167827 192458 69042 192292 76500 189245 C4 H4 S3 nullnullnull1.4659998 86661 55933 1 1 137536 63542 299500 114259 50177 1 1 1 82200 1 1 1 46613 293.1955@9.395998 898643 913600 890076 895317 896642 886581 841537 854190 835984 8174 914991 928422 933737 922887 941760 943588 932755 nullnullnull0.85799986 146610 1 263238 268251 287007 272191 235699 146558 111325 422717 261329 420422 285380 195875 196381 121955 213767 Dolastatin 10 7149 17435 1 1 1 1 9416 9772 10242 1 7610 1 1 10036 7516 14606 6490 C33 H56 N10 22122 23375 29924 30259 22824 26582 25256 25042 23121 21750 24750 22469 23997 21416 25215 27340 22848 C32 H61 N29 1 1 72976 49697 99381 611618 487397 80649 174626 167623 337762 1 54355 1 131140 725794 1 C36 H78 N4 O2 S 9710 19973 1 1 1 1 8125 9786 10813 1 9551 1 1 14863 7700 22139 1 C46 H79 N5 O S2 nullnullnull16.127 1 1 51454 1 1 226809 221464 84401 33239 1 351577 1 1 1 1 7062 1 nullnullnull0.84599996 12468 1 14425 11427 15967 18289 11357 15715 9069 21530 10894 17727 10629 10474 11442 1 12575 612.5858@0.8249999 11222 6351 1 1 1 1 9613 11372 13966 1 9200 1 1 10559 10275 6749 8870 nullnullnull0.84000003 :1 6094 15278 1 1 1 1 12087 9763 14306 1 9625 1 1 13198 9352 14700 1 PE(24:0/18:1(9Z)) 7562 6839 11104 13892 14687 16713 6163 11719 12272 15588 7937 45487 8426 7537 14103 5998 6099 "2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate" 10636 28231 27115 27515 25788 23834 26140 23752 25617 22499 24896 26508 29280 23652 23168 28327 25113 725.6838@0.813 16655 14477 1 1 7413 1 13673 20939 17856 1 15664 8386 11599 23507 18510 12613 13272 C49 H71 N10 O6 82655 192665 1 210814 221233 1 1 808296 360889 577285 1658513 1 964426 1 531786 1344552 1 15-hydroxy stearic acid nullnullnull12.138 37420 56752 62044 22898 43266 42432 43721 41984 40984 23987 39499 38088 40189 40635 40074 40389 20925 C3 H2 N O3 S 21389 19168 17630 19013 20238 22341 15855 20463 18908 15714 22519 24264 22567 18282 14531 8635 20037 C30 H44 N S nullnullnull16.152002 :1 1 1 59804 1 1 267328 348424 76336 30469 33077 440015 38865 20858 1 1 302813 1 nullnullnull0.83300006 :4 9473 19026 1 1 1 1 14484 11453 16666 1 12379 1 1 16692 12867 17674 8257 574.707@0.817 7831 1 1 1 1 1 5572 7428 9587 1 8741 1 6464 9225 9106 1 6820 C59 H73 25154 31913 34685 39291 28844 20574 51645 41641 22448 22200 21949 47068 18923 14873 32584 170079 54457 C26 H36 N10 nullnullnull5.2610006 137161 129410 221935 143156 140843 165434 133812 131336 127869 143404 140090 133842 147169 146908 162866 155294 148776 C35 H17 N8 O27 nullnullnull2.9659998 :1 133928 17639 1 31608 1 31696 31951 78641 27678 38825 60239 39968 63554 72684 18071 31324 22155 C12 H27 N2 O6 171913 174172 174716 178275 166954 168720 168625 171651 169832 161455 172329 167371 191898 180564 181058 180296 185439 C34 H52 N14 10670 12840 12386 11217 8503 7806 7810 7566 7177 12642 7119 8235 14736 8972 7883 7552 8241 C5 H4 N O3 S3 41569 47028 40499 38583 43046 39095 36387 40121 37154 38852 39391 37719 45056 35006 37812 44487 40920 536.9124@12.981 1 133402 1 1 1 1 88688 34600 1 1 135371 1 1 1 1 1 104303 255.9038@0.7989999 34924 1 42295 44932 44781 32980 15062 34781 15806 26817 40378 61210 28247 1 82437 1 84104 "5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate nullnullnull12.835003" 20870 24835 70157 36692 29306 86252 77518 48264 71429 42019 46925 18957 95982 20543 25776 24499 26720 C21 H N3 O13 nullnullnull12.923003 25523 82710 19196 97410 74298 108763 62981 100687 97549 109100 111256 108022 20103 20268 62786 86325 24557 C49 H68 N16 O2 nullnullnull16.108997 1 1 114881 1 1 77608 157530 37870 1 39368 141863 31406 75767 1 1 101633 21453 C6 H6 N2 O6 S nullnullnull1.1809999 50730 1 52304 88576 76051 94732 17983 24429 30509 89849 58411 90546 235897 37442 68509 1 71051 Phytuberin nullnullnull13.699998 :1 144070 75616 182208 174384 178607 195455 13928 164735 154280 112198 29049 175832 186470 59965 181275 15841 196750 nullnullnull0.94600004 1 1 42457 87808 48187 97605 10140 10268 11849 104443 26632 69432 40498 13955 32153 1 37391 15-hydroxy stearic acid nullnullnull12.14 23266 67553 77058 58528 51263 16394 49694 47985 45785 12361 45863 44036 15723 47988 46170 45026 22671 C32 H49 N2 O S nullnullnull13.586767 18877 58170 19954 89616 6384 49238 19843 28330 69260 133861 42998 30169 21801 28539 40905 31171 52124 C10 H28 N5 O11 29067 30721 31519 37597 32792 30645 30634 27508 40990 28916 31491 27123 30032 31136 29717 27417 26897 C25 H Cl N2 O5 S5 6744 1 1 1 1 1 9626 13326 13064 1 10783 1 1 12904 11419 1 6338 nullnullnull0.83 :3 8078 12833 1 1 1 1 9780 6861 11081 1 7686 1 1 11471 5900 14427 1 Isocitric acid nullnullnull0.86900014 :2 20849 14335 68440 188624 122663 203918 5380 20772 1 304124 11509 119571 42763 1 16126 1 14601 "PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-16:0) nullnullnull17.285002" 68922 143366 230968 233187 241921 1243367 941494 534516 368666 359998 985456 180790 266184 1 107543 2376663 143471 C28 H12 Cl3 N3 O18 S3 9178 42314 16178 13293 15147 24405 15694 11532 11173 1 21133 11287 12316 1 12575 14994 14108 ?-hydroxyisobutyrate nullnullnull3.1129994 68925 62102 60364 63027 53391 54591 71711 71283 62443 60200 60666 52052 67264 65489 63456 61589 63296 C6 H11 O11 nullnullnull2.9700003 41594 41614 38142 51112 45551 41368 41564 37585 37910 43181 39946 44471 38588 45020 48245 43864 42535 C41 H78 N7 O4 S nullnullnull13.408 1 1 12774 9825 6239 18057 14425 6660 7033 7257 19835 1 6649 1 7458 10415 9782 C36 H13 N12 O23 19137 52724 1 22052 16997 27274 1 15999 16042 22022 15161 25354 14199 19539 21614 15418 13220 C25 H33 N14 O 1 1 7079 76599 47547 6463 8894 34644 109583 43800 12838 1 114126 1 9315 1 10529 C7 H Cl2 O S2 251856 31287 88447 61313 52234 54927 214329 240580 239502 27178 230296 126116 209059 221458 223957 36590 213961 256.8289@0.94200015 5318 5722 47941 90980 48579 103759 13783 11409 1 113276 32516 72058 47451 19063 35334 1 40855 C47 H90 N S 6824 1 9483 9540 11864 8699 1 8253 6625 12890 7465 17912 8157 7073 11466 1 1 C58 H91 N2 O S2 nullnullnull16.137 1 1 54411 1 1 1 91736 52471 28330 35064 38874 24631 26285 1 1 104433 1 C22 H40 N7 O3 nullnullnull13.091002 15377 1 1 38729 33039 69238 45239 36947 31424 10828 70193 37658 37061 1 29496 64296 34457 C48 H77 N3 O11 1 1 286982 137487 1 1 1 215469 253018 239295 1 1 404908 1 1 1023872 1 "3,5-Dinitroguaiacol nullnullnull6.817001 :4" 222305 377296 387501 594920 303615 421109 412254 286459 409401 380828 439877 220777 185091 206179 451730 661570 392850 C19 H5 N O17 S nullnullnull13.11 95268 98319 100062 200367 100891 168285 162145 168692 97557 176709 100962 103181 112066 94403 186608 182064 102535 C16 H7 N2 O18 nullnullnull13.087002 74610 122074 79901 57934 67821 89003 81812 93578 100870 42650 108847 107522 137784 85547 94500 112692 41703 > limit nullnullnull17.333004 22503 1 76252 58264 66294 81968 53217 17902 18927 16879 119168 30015 39496 1 23031 11052 1 173.874@0.829 68755 330503 8193 1 1 1 84230 70425 105821 1 81669 1 7312 127616 71415 328483 51793 Aeruginopeptin 917S-C nullnullnull16.173002 28979 44757 105338 32586 49025 354390 302506 143218 85554 62980 395654 51446 76395 1 38304 306265 42470 C49 H80 N2 O12 nullnullnull17.056 83027 64339 92519 46317 94811 186798 284614 128483 59068 193887 606888 167891 183613 1 28954 687886 1 C3 H3 N4 O5 nullnullnull1.2450001 39868 38697 32449 61555 55625 47447 29550 25871 28554 49845 23430 42098 37888 22814 32191 50096 35630 C9 H2 N3 S 56074 252102 51618 33827 81635 46944 175307 47444 205375 1 104851 205541 164484 29009 111155 95212 136930 C18 H3 N3 O15 nullnullnull12.923997 43779 95219 76426 80762 54586 74377 50628 89832 76031 91016 56738 90355 97704 98094 105445 99745 101897 C16 H7 N2 O18 nullnullnull13.0859995 75166 65540 135688 57934 68150 88360 77166 93578 101289 58838 106594 108967 136439 83178 94339 112692 112776 Karanjachromene 29355 34244 29553 33578 33657 38219 50114 36668 24725 39744 41566 36182 50483 18390 28322 36888 43839 C17 H3 N3 O6 nullnullnull0.8839999 :2 226681 10543 913133 1694066 1057072 1697011 169013 108366 206744 1950269 483120 1510469 816388 322198 581162 14441 673340 C3 H Cl2 N2 O2 S4 37471 1 1 1 1 1 35483 37439 40892 1 38542 8482 25717 37500 36523 1 30686 C3 H O3 S3 39549 48267 1 1 1 1 40644 39133 52818 1 37705 1 16492 52581 38297 49421 30885 C38 H80 N S3 1 28178 1 1 1 1 8417 7054 7667 1 7049 1 1 10401 1 23241 1 C44 H93 Cl N6 O2 S 7673 12039 1 1 1 1 7207 13134 11042 1 6099 8342 7676 9987 12055 7593 6715 C6 H6 N6 O5 nullnullnull1.0489999 22034 1 31278 25726 20656 28344 43547 26723 28904 26007 28189 30943 16724 43589 42832 16357 31935 C11 H15 N5 O6 10692 34782 10465 38765 29591 20696 32617 28344 26675 14439 15056 26500 17164 12720 14492 46408 26765 (±)-Ibuprofen 77359 88281 71430 69105 70637 77826 56862 82855 63181 70232 65572 75083 57045 71916 14021 62469 62218 C18 H34 N7 O2 nullnullnull13.708002 :1 14570 12391 11396 11450 12568 11927 12916 11037 12409 14514 12107 13040 11598 7970 16789 11935 13337 99.9662@0.89399993 1 1 1 1 1 1 18931 40249 46804 1 1 1 1 1 35092 1 53961 Pantetheine nullnullnull4.3559995 22400 26606 25425 24477 20205 21645 20106 21416 23138 22379 22368 21954 22137 21815 25620 23268 24938 C7 H9 Cl3 S5 112620 9422 52518 31591 22669 29419 72580 97286 85124 10127 82914 72792 112365 63763 95005 6344 91447 C18 H2 O19 33804 30502 38776 35153 34459 34576 35004 31213 18077 34342 29991 1 31942 36075 32752 36771 34303 > limit nullnullnull0.84000003 7110 18517 1 1 1 1 8172 8499 9967 1 7560 1 1 10790 7804 17252 1 HC Yellow No. 4 nullnullnull3.3040006 48695 68149 44532 67681 52484 53552 53528 42167 56459 52989 52996 6819 57321 54590 59355 65579 39306 C15 H34 N3 O16 nullnullnull4.6880007 15910 18329 19662 18932 15806 15838 16392 14598 16539 14734 15875 16854 17922 17383 18167 16592 16820 C18 H3 N O20 73266 75277 58325 47650 51297 72888 27814 56893 48728 51079 28031 66415 69505 43605 58102 30473 39251 nullnullnull0.856 :1 146610 1 263692 267158 287290 272271 235699 146583 1 389883 262217 420535 285765 197240 1 1 1 C29 H64 Cl N8 O2 S2 13955 17440 17868 14892 11551 10474 10121 9394 13866 10470 10234 10337 9048 11451 12123 12367 11963 "2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate nullnullnull10.350999" 10636 28232 27115 27515 25788 23834 26119 23752 25361 22499 24896 26803 29280 23648 22959 28327 26641 C27 H O11 37955 82605 113543 113081 22774 145778 69609 93495 93007 65083 70445 92452 30941 44741 105343 145200 112482 nullnullnull0.8270001 12784 1 1 1 1 1 12650 14050 14480 1 13112 1 1 11823 10718 7372 9779 nullnullnull0.8389998 :2 314181 426516 28634 22967 17358 22519 383443 349958 416263 9810 370977 64569 166566 447763 334398 428107 275589 C16 H26 O3 S nullnullnull9.990999 56815 68012 63585 38414 39635 54685 57669 67788 62714 60429 72337 63653 80162 67675 32760 76926 63308 C39 H4 Cl2 N O13 S2 15474 17486 12847 9914 17840 34137 13993 12729 9248 1 23187 12825 10369 1 15944 13996 13213 nullnullnull0.89599997 17397 22448 21130 17957 9197 11293 17635 15779 17932 1 18202 9291 14244 17465 10544 18940 8269 nullnullnull0.82100004 :2 1 1 7285 1 1 1 13558 17914 14571 1 1 11934 29352 1 21257 12429 16856 C59 H102 N S3 nullnullnull13.707 26123 16880 31308 33390 27162 7171 27254 26121 20787 16381 7390 23470 27278 12185 27593 31142 29376 991.3714@0.8270001 9324 21634 1 1 1 1 8789 10583 10517 1 7656 1 1 7468 6149 17895 1 nullnullnull0.89999986 :2 32363 8984 66380 78940 65940 78222 39429 29576 46635 65076 82021 69489 75618 75340 74576 1 82801 C10 H28 N5 O11 nullnullnull10.902002 28987 30727 31151 37597 32792 30511 30841 27643 40990 28916 32484 27258 30026 31052 30109 27187 26897 C40 H49 N22 O4 9638 8080 1 1 1 1 7705 10131 10325 1 9082 1 1 9642 8700 9458 6138 C10 H Cl3 N O3 S4 109075 1 35365 19363 13287 18663 75365 101275 90893 6234 85944 52601 100602 73979 98789 1 86522 C5 H3 Cl3 N O3 S 159985 1 158572 151372 138364 163567 160219 234242 195426 148052 181974 307076 241361 161197 279591 1 217245 C30 H36 nullnullnull13.707 6726 1 10613 13431 7316 21016 20448 8486 1 1 6112 10795 11278 1 8167 17083 10058 PD 173074 nullnullnull14.022999 :1 29663 21206 39858 43368 27539 29802 25805 32823 28089 31416 22773 36891 39135 41846 25825 31282 30368 > limit nullnullnull0.83899987 :1 1 43651 1 1 1 1 7911 6765 9658 1 5554 1 1 12288 1 45650 1 Indole-3-carboxaldehyde nullnullnull6.1419992 15491 31431 31383 15780 15715 19008 19851 15617 11271 13508 17520 13962 17334 12058 15164 18434 19169 169.8854@0.8339999 289649 47977 279674 191638 200304 198034 239457 273030 225859 133823 246564 326042 369412 192296 265505 46913 310534 beta-tocotrienol nullnullnull14.222996 22383 20495 28140 18963 20804 28200 26036 23860 19506 17678 23511 20104 19775 20086 22388 29045 22711 C11 H2 Cl2 N O 149650 82721 19047 9600 1 6022 111203 125475 13699 1 137807 14831 89006 165354 141025 90482 107079 nullnullnull0.83300006 :5 9132 23206 1 1 1 1 12286 11332 16465 1 7989 1 1 15259 9492 23145 7210 Adenosine nullnullnull3.1279995 36204 44018 13789 51702 35538 26250 37676 32634 31981 33461 32415 30778 36615 35058 39051 48192 30949 C58 H101 N2 O S3 nullnullnull16.543 1 1 38497 1 1 82110 70010 90305 1 1 63289 1 53365 1 1 50447 1 C16 H7 N2 O18 nullnullnull13.065998 68552 23806 64153 64388 79606 32120 81054 71530 23191 75407 116557 86797 82970 78365 82639 118946 17394 PS(21:0/0:0) nullnullnull11.572999 :2 24322 61346 39430 15629 23097 86941 94857 49644 42542 39842 99946 16643 34514 11749 15745 112387 20216 C3 H7 N6 O3 31413 38688 37655 37548 33455 26460 28298 32287 37272 31637 31540 26464 26788 30735 30390 26657 31184 C39 H85 N12 O5 6213 8111 6467 1 1 1 1 9609 7432 1 10647 19631 10097 1 13615 5410 7649 PGF2?-d4 nullnullnull13.307003 26286 25681 29587 29709 27417 26626 26759 25125 21880 21449 27548 24391 25737 26441 25297 30489 27808 C20 H10 N2 O8 S4 1 1 10797 10266 17309 27517 18715 8168 13125 16046 14224 11575 12329 1 17299 11658 13274 C32 H49 N2 O S nullnullnull13.608002 24216 36918 14291 7707 11880 39544 14966 25323 1 23821 15874 11780 9607 55338 15523 7972 62629 C16 H9 N2 O16 S 79156 59412 79474 81947 81331 93681 1 74688 65862 74722 27909 1 81208 76829 79702 1 79983 15-hydroxy stearic acid nullnullnull12.22 :1 17253 16040 19103 26218 12454 11912 16156 15945 14285 15797 16335 14331 16261 18787 15743 18953 11905 C26 H49 N6 O S nullnullnull16.173998 1 1 1 1 1 385100 340262 69089 34902 32851 429386 1 23277 1 1 218422 1 C56 H86 N S2 nullnullnull13.708002 9846 6113 12771 11111 9938 12249 10611 9274 8524 6427 11132 9690 10382 1 10901 13064 10869 Deamino-?-keto-demethylphosphinothricin nullnullnull1.8960001 :1 44486 47113 43472 41982 36052 32636 43325 67057 43398 20590 41111 54755 47506 33636 46145 43614 44881 C22 H40 N7 O3 nullnullnull13.089997 11673 1 34531 28006 27127 48880 33461 28570 18373 7554 58097 27828 27178 1 21677 44363 27056 C3 H Cl3 N O3 S 503841 157096 190138 151428 137880 155316 446310 513614 505515 122481 461822 299904 423421 481525 476590 158581 443472 Valdecoxib 41695 1 8208 38712 241511 62986 41185 28897 55284 23026 173757 672282 23137 89164 13949 1 306374 C22 H3 N3 O13 nullnullnull13.080997 79757 41235 73825 65983 69246 21558 23083 71874 65604 75227 28382 74913 81180 76153 80143 81578 78690 60.0192@0.8990001 123566 169922 73667 72612 73025 61959 95044 82392 75731 45993 70207 56981 74774 68935 85345 183079 79290 C16 H3 Cl3 O13 S5 12506 48759 1 1 1 1 11774 16214 15826 1 13027 12186 15289 15629 18103 48927 12871 C11 H6 N3 O9 15761 16262 15473 15437 15573 15032 14946 13845 14357 14838 15134 15406 14791 15462 16768 16042 15787 L-Homotyrosine nullnullnull10.031999 139122 132530 133129 127512 134002 126046 138670 132478 137175 141645 144697 135937 140307 151835 140282 146554 142507 C40 H74 N17 O2 nullnullnull16.173002 1 1 38351 1 1 154373 142015 63892 27099 16500 196346 1 23263 1 1 141015 1 C15 H2 O17 nullnullnull0.70899993 46462 83638 44162 44852 35548 39105 26139 23783 36135 34000 29826 1 34557 35809 35528 70990 16242 C3 Cl2 N2 113497 103208 1 1 1 1 124589 118873 145998 1 111313 1 55929 159949 117131 102774 87009 nullnullnull0.8389998 :3 209873 254761 22255 13167 10054 13998 248466 238477 277902 6178 238252 46150 112169 270463 223621 260920 188777 219.9398@1.7050002 1 881801 1 1 1 1 500083 82864 284838 1 1 1 1 1 1 348918 1 nullnullnull13.707 :3 1 1 11372 9055 10045 17307 13720 9091 7750 1 19258 9968 10418 1 10024 13778 10135 C11 N S5 66927 196453 1 1 1 1 75460 70105 97981 1 59843 1 25374 111808 58624 188163 46727 C22 H40 N7 O3 nullnullnull16.117002 1 1 59804 1 1 267328 200634 76336 28939 1 440015 38689 1 1 1 42134 1 1069.8834@0.835 1 13478 1 1 1 1 7497 7051 10997 1 6524 1 1 10288 1 14972 1 C50 H72 N6 O8 29597 79603 1 1 68837 517601 344544 160526 93330 180491 428863 82777 75209 1 12018 859176 45238 166.906@0.8179999 26239 1 11355 9246 7851 9537 22576 25322 25123 7796 20842 19018 20801 25418 24397 5801 21069 Dinoterb nullnullnull9.766001 15991 21368 21191 13916 23831 18460 16366 21942 17777 21048 20408 24308 18823 10926 22450 21791 15568 C26 H36 N10 nullnullnull5.2620006 170285 164744 283009 181730 175610 209319 169964 165119 162557 179289 179005 175981 186033 184521 12560 199802 191940 C12 H14 N3 O10 S 72423 1 185056 1292329 397589 1220313 11188 1 10799 1329994 120356 696769 427184 22604 314794 1 290061 967.0076@6.5019994 127824 1 1556820 322622 1 464010 1 1 1 1 459975 1 1 1 1 54676 1 C9 H10 N6 O6 S 1 1 38900 204671 124412 261436 1 1 1 940957 1 82791 16473 1 10455 1 9950 829.582@17.893 1 1 1 1 1 144131 1091941 1 1 1 475417 32853 1 1 42544 3551138 1 C28 H9 N9 O21 nullnullnull10.217001 1 25027 1361204 39002 506663 112724 1 1 1 134687 132456 106970 439310 107516 73066 1 292098 ?-D-Glucose 1 1016758 18933 44961 7130 80617 1 1 1 19922 1 57349 10449 1 1 2661695 1 806.9911@17.436 1 1 1 1 1 97497 1 1 1 716379 599937 1 1 1 14114 1 1 C29 H15 N2 O26 nullnullnull13.332667 63192 1 1 1 1 532411 1 1 1 1 194718 105887 1 587134 1 1 68452 C33 H14 N9 O28 104255 36619 1 74471 45477 43725 28233 1 71232 1 65281 241910 47648 196670 1 50414 75813 C32 H20 N6 O29 S nullnullnull16.341997 133408 20996 219929 1 1 107298 207396 1 1 1 110496 91023 290477 1 1 1 1 983.9963@15.713 121334 51655 1 1 1 35022 1 1 76712 1 1 444201 1 1 1 1 98413 L-Glutamate 1 230922 12379 17806 6624 44847 1 1 1 75735 1 9344 18017 1 1 175509 1 967.0078@10.061 124000 1 1 91869 1 433462 1 1 1 1 1 837914 51090 1 1 1 1 C32 H16 N12 O22 S2 nullnullnull13.311769 1 59513 40525 196749 1 52413 1 1 128584 56424 51150 302122 77014 125799 116306 78127 159140 C28 H9 N9 O21 nullnullnull9.808999 1 1 1 180058 1 201900 76525 1 773839 1 1 132211 22374 1 23120 162543 44979 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull10.244001 1 15950 19205 14593 1 237644 1 1 1 60985 219820 1 29198 34544 17026 34800 1 188.0795@0.848 1 1 19478 190875 45031 214373 1 1 1 286381 1 61683 17189 1 1 1 1 806.9916@15.666167 78732 27884 1 1 1 181547 1 1 376322 1 1 1 81899 1 1 1 69423 820.5589@17.598 1 1 171089 1 1 445508 1 1 1 1 1 1 1 1 1 623244 1 C32 H20 N6 O29 S nullnullnull7.5169997 136281 1 1 1 11551 74320 1 1 1 1 1 12450 1 1 1 1 51144 983.9955@10.137 18527 1 1 10138 1 59010 1 1 1 1 1 86028 1 1 1 1 1 806.9906@16.242998 67725 423054 1152778 1 200347 227656 309114 1 1 1 1 1 1 1 1 1 1 C45 H50 N9 S3 1 1 162567 14470 14918 56361 111974 1 25079 14819 194281 1 24160 1 21058 1 1 805.5743@17.592 1 1 249750 1 1 562087 717409 1 1 1 931246 1 1 1 1 845876 1 983.9978@17.951002 1 1 1 1 40503 16008 39765 1 1 1 14292 60225 1 1 38963 1 1 C28 H9 N9 O21 nullnullnull15.1245 95151 90495 1 173067 1 180492 1 1 67118 1 257665 1 37494 1 1 1213279 1 nullnullnull3.2579997 349123 213437 1 37640 71832 14857 1 1 1 10307 102475 1 5179 1 1 1 9622 232.0041@4.968 1 1 38113 50902 1 143437 11807 1 1 1 1 1 1 1 7575 24243 1 C14 H5 N3 O8 14114 1 53693 108621 67382 118897 9758 1 13161 122042 32023 102606 53307 21829 33945 1 44255 C25 H46 N7 O3 nullnullnull14.285002 14014 1 67340 1 1 136506 1 1 16803 1 93136 15398 1 10464 44458 1 1 C13 H12 N6 O8 S 1 1 17699 80651 29952 97609 1 1 1 126600 11772 58674 22426 1 18066 1 15139 "PG(19:1(9Z)/17:2(9Z,12Z))" 1 1 27529 1 1 145445 48376 1 10728 1 67341 1 19244 1 1 108341 1 C40 H29 N10 O 1 1 126184 8056 1 15852 29733 1 31884 1 42237 1 6942 1 12421 1 1 C28 H9 N9 O21 nullnullnull15.467624 88558 25109 1 1 184376 180492 1 1 531676 1 262695 1 15708 1 1 1 21329 C25 H13 N9 O21 S nullnullnull16.541998 1 1126165 149403 1 1 144946 69601 1 32964 113822 953624 100941 1 11617 1 57017 1 C28 H9 N9 O21 nullnullnull10.246001 1 24808 920286 1 1 176820 1 1 1 121833 165520 1 211801 65209 1 1 364436 274.0802@0.855 1 1 1 75775 14812 85904 1 1 1 102330 1 21912 1 1 1 1 1 983.9963@16.242 126059 78953 219929 1 1 107298 1 1 1 1 1 15925 1 1 1 1 1 C25 H13 N9 O21 S nullnullnull5.3732224 491436 229564 1 1 266172 268101 1 1 711072 798378 1 110654 1 1 68266 1 1277265 C37 H38 N2 O4 S2 1 1 27099 1 1 34568 61156 1 8193 1 100501 1 15914 1 21887 1 1 983.9967@7.533 136281 1 1 1 12950 91879 1 1 1 1 1 1 1 1 1 1 52567 C35 H46 O3 1 1 103259 1 9334 24471 43605 1 6674 1 83455 1 5688 1 8365 1 1 C33 H14 N9 O28 nullnullnull13.593643 113629 114749 1 74477 122212 26297 30834 1 71462 1 65281 236448 105323 173836 116306 50414 47541 773.7299@0.816 1 1 44444 59872 83762 55027 1 1 1 83417 1 42972 1 1 1 1 1 C14 H14 O9 S 9180 1 13850 51869 13563 68310 7419 1 12367 41422 40391 71479 57888 20840 65183 1 55100 C47 H79 N3 O9 nullnullnull17.441 1 1 107326 1 1 1075612 487725 1 979869 1 1440504 1 1 1 1 1535918 1 C27 H49 N2 O13 1 1 9849 1 1 23283 12047 1 1 7710 17450 1 7512 1 1 16637 1 C46 H56 N2 O4 S2 1 1 125389 14338 9748 37927 76844 1 17683 1 114313 1 18868 1 33777 1 1 C30 H38 N25 O S2 1 1 56417 7409 12197 26353 34595 1 14842 12374 57170 1 10453 1 12653 1 1 144.0895@0.8389999 1 1 1 43576 13493 45612 1 1 1 84004 1 18830 1 1 1 1 1 C17 H2 N3 O11 33725 1 63764 97994 34792 64196 6897 1 16315 60844 35913 56023 35456 16323 33244 1 48294 C48 H81 N13 O 1 1 32691 41769 42743 42542 1 1 1 40636 1 72145 8735 8347 6763 1 1 C28 H9 N9 O21 nullnullnull15.226142 97382 92723 1 113493 1 180492 1 1 1 1 236376 1 66523 1 1 1 39604 1613.9811@7.233 1 61496 15925 1 1 151254 1 1 1 123994 1 1 1 1 1 1 1 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull16.388 12546 90100 106759 1 1 36861 253917 1 1 46719 244632 30745 1 1 1 1 1 15(S)-HETE 1 1 1 62937 1 46421 15810 1 1 16135 12134 1 1 1 1 1 1 937.7069@16.508 1 1 36122 1 1 28047 70226 1 1 1 63607 1 1 1 1 50447 1 693.2978@14.599 1 1 56771 1 1 18761 29846 1 9943 1 59616 1 1 1 7667 1 1 C28 H16 N14 O3 S2 1 1 37723 9762 18885 32698 69662 1 9524 1 19363 1 7027 1 7801 1 1 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull3.392 297974 231503 127158 1 1 420265 34287 1 237888 1 1 63407 1 58054 1 1 1 C45 H45 N2 O2 S 1 1 42973 1 1 23444 27942 1 10344 1 63797 1 6868 1 1 1 1 C50 H46 N3 O S 1 1 59667 1 20632 45896 81263 1 19178 1 102017 1 13680 1 61950 1 1 1613.9807@6.356 1 1 41057 1 1 278577 1 1 1 686297 1 79895 78206 1 1 1 1 183.9959@6.472 185156 662448 660188 741035 511371 476910 468667 1 1 415186 1 425751 1 424619 1 1 430325 801.553@16.529 1 1 181701 1 1 259755 187374 1 1 1 302959 1 1 1 1 256736 1 C33 H14 N9 O28 nullnullnull13.508 167570 32732 13815 204733 83241 49436 1 1 65319 1 77537 234106 57484 50990 116306 58101 159140 806.9919@15.816001 1 121716 1437179 1 1 205469 1 1 1 1 1 1 133583 1 19059 1 28074 C25 H13 N9 O21 S nullnullnull2.1363635 260924 1 659593 1 631264 98021 2576300 1 1302589 1 6213616 1 1 86111 32034 45213 1124463 C25 H13 N9 O21 S nullnullnull16.331 16650 1037993 263921 1 178968 226024 1 1 1 1 1 88373 1 1 1 1 1 C3 H2 O6 S 1 12683 301245 257853 323659 316091 1 1 148751 353973 1 379357 189462 276796 292819 12263 1 514.344@14.925 1 1 63805 1 1 28130 30508 1 8706 1 43636 1 1 1 1 1 1 C27 H24 N5 O24 S 13703 1 23546 51825 31210 61171 7461 1 6091 61119 23731 51650 36787 10986 33722 1 34116 C15 H4 N3 O8 8279 1 23763 26421 23131 58073 1 1 1 29855 9615 14906 17615 1 15856 1 9450 cholesterol sulfate 1 1 9481 10788 13509 64661 29064 1 12912 97772 32833 1 16518 1 10061 71352 1 C4 H4 O 11434 1 21661 62884 28536 70158 7241 1 6267 66664 18381 41640 29285 9498 25481 1 23970 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull10.541 1 19020 1 21773 1 78804 1 1 1 65473 1 1 15291 1 1 1 1 C19 H4 N O12 6671 1 16466 47022 22623 50049 1 1 1 42892 12453 33415 23888 1 18985 1 18014 1013.6255@0.816 1 1 25600 38302 49066 33904 1 1 1 47341 1 33049 1 1 1 1 1 C6 H4 N O2 S3 nullnullnull3.382 20273 1 1 101174 8083 58722 1 1 1 97004 299851 1 1 105794 1 56365 1 "1,8-Diazacyclotetradecane-2,9-dione" 1 1 9810 15936 7063 49256 1 1 1 14273 1 16145 8914 7633 1 1 1 548.1618@13.114999 1 1 50209 1 1 14827 9814 1 1 1 14011 1 7342 1 7462 1 1 C54 H84 N8 1 1 29684 44721 49418 38917 1 1 1 47515 1 47686 1 1 6116 1 1 904.6607@0.816 1 1 27202 37547 44651 36847 1 1 1 35065 1 45910 1 1 1 1 1 C23 H25 N13 O4 S2 1 1 47556 1 1 16242 10123 1 6580 1 12235 1 7119 1 7376 1 1 Valiolone nullnullnull0.86700004 1 1 31710 60084 38301 69375 1 1 1 63425 1 39320 20589 1 10160 1 11092 450.3198@14.273 11445 1 25190 1 1 50246 1 1 1 1 46429 1 1 1 23287 1 1 C37 H47 N14 O2 1 1 54600 1 1 19798 26930 1 7525 1 47340 1 7759 1 12663 1 1 C13 H8 N2 O14 1 1 1 16446 1 21359 1 1 1 12579 21510 27419 24066 8367 33699 1 25690 C33 H14 N9 O28 nullnullnull13.510001 172557 32732 13815 92261 83241 47756 23509 1 65319 1 77537 234394 57484 64503 116306 64752 159140 833.6897@0.816 1 1 22459 31733 45986 27756 1 1 1 40148 1 24903 1 1 1 1 1 129.984@1.0360001 351827 76318 165443 290378 137976 33013 25884 1 62638 1 53515 138172 61736 99143 33104 39721 17010 "PG(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))" 1 1 22769 1 1 22139 23104 1 1 1 22009 1 6679 1 1 16625 1 294.1833@16.617 1 1 495167 1 1 654846 236288 1 1 1 1070600 1 1 1 1 487058 1 1-Phenyl-5-mercaptotetrazole 10587 1 1 24401 5990 26703 1 1 1 16441 1 47032 9352 8045 9531 1 1 Nitrilotriacetic acid 19104 1 19292 51069 23786 58480 1 1 10987 12504 6496 15670 24673 1 35612 1 15702 "2,5-Furandicarboxylic acid" 8333 1 15976 42209 18605 45705 1 1 1 47405 11762 30782 20179 7118 17138 1 17619 Sunset Yellow FCF 1 1 1 17953 16738 14919 1 1 1 12733 6432 16378 42499 1 1 1 8584 C60 H87 N4 O3 S2 1 1 18294 20178 19688 19669 1 1 1 14580 1 40429 1 1 5893 1 1 615.7773@0.818 1 1 32600 35319 39059 27243 1 1 1 29066 1 32876 1 1 1 1 1 937.7074@16.508 1 1 42644 1 1 65391 57426 1 1 1 70514 1 1 1 1 61447 1 438.3496@14.142999 1 1 31972 1 1 17770 26037 1 1 1 44166 1 7736 1 11423 1 1 C3 H4 N2 O3 S3 23667 6703 36865 19547 41317 11581 6080 1 1 1 1 6940 11155 1 1 1 1 Kynostatin 272 1 1 140875 7746 1 17971 33171 1 38112 1 45137 1 7372 1 11457 1 1 650.3378@14.164999 1 1 22323 1 1 12998 23600 1 1 1 35574 1 1 1 8456 1 1 L-Aspartic Acid 1 36319 7463 31835 10698 44683 1 1 1 34243 1 1 1 1 1 35045 1 796.5244@14.63 1 1 21836 1 1 16765 17096 1 1 1 16922 1 1 1 1 39309 1 C31 H20 N8 O26 S2 nullnullnull13.046713 44485 30261 18571 113284 1 7691 1 1 19231 58708 23444 174297 105728 39117 46011 31528 59737 C33 H14 N9 O28 nullnullnull13.332 1 128431 22457 208324 1 46420 1 1 128665 1 77537 296035 46813 84855 116306 65319 160765 nullnullnull0.956 1 1 15605 28939 14944 34978 1 1 1 34893 9607 23485 14789 1 11968 1 13462 58.0418@1.2180002 38612 1 12126 24115 23275 30168 1 1 1 31537 1 22064 56535 1 10525 1 10958 983.9957@7.497 136281 1 1 1 11561 84864 1 1 1 45004 1 1 1 1 1 1 52699 724.7336@0.816 1 1 18017 24448 30591 22177 1 1 1 26991 1 21273 1 1 1 1 1 C16 H4 N2 O9 1 1 20539 23265 17750 23017 1 1 8884 15735 16719 20185 22137 15142 22625 1 21401 C17 H3 Cl3 N7 O3 S5 1 40054 1 1 7093 7767 8729 1 9013 18378 9208 1 1 8279 1 37994 1 C8 H2 N S2 nullnullnull1.0690001 325426 68696 1 273460 131994 157002 90595 1 77997 129374 51895 129722 111670 1 102771 99034 98032 "PS(21:0/18:3(6Z,9Z,12Z)) nullnullnull16.137" 1 1 1 58378 1 82721 64019 1 155346 1 131919 1 1 1 32132 114523 1 806.992@13.508 35599 6980 1 1 111569 604100 1 1 1 1 257113 1 1 1 15319 1 1 > limit nullnullnull1.2209998 9642 1 14674 26162 17841 26827 1 1 1 28899 15339 23223 20096 8327 21390 1 20319 nullnullnull0.816 :1 1 1 18602 20550 24383 21303 1 1 6475 18698 1 28937 1 1 5610 1 1 C29 H58 N25 O 1 1 27529 1 1 141854 48376 1 10728 1 67257 1 19244 1 1 108338 1 C32 H16 N12 O22 S2 nullnullnull13.287784 1 128990 55843 201520 51081 9167 1 1 124315 56424 77537 294308 86025 272404 116306 47809 159140 > limit nullnullnull1.2209998 :1 11080 1 14665 26164 16698 25613 7780 1 7732 27748 14734 25345 19575 8888 18292 1 19421 C50 H86 N4 S2 nullnullnull14.065001 1 1 13451 9257 1 11908 16623 1 1 1 20736 1 12304 1 1 15621 10575 C12 H4 N4 O14 8357 1 14998 26927 9480 16981 1 1 1 13883 9707 13298 9940 1 7833 1 12832 "Phenanthrene-4,5-dicarboxylate" 1 21590 1 1 1 10820 10740 1 1 16221 1 1 8900 1 1 16447 1 380.2781@17.987 27102 40903 76836 1 1 171380 1 1 21323 1 1 1 1 1 1 1 1 Benzene 6759 25419 10154 1 9031 17999 15465 1 1 18251 6647 8086 13836 1 1 20643 1 1084.5865@0.82100004 1 12455 9710 11821 9841 10226 1 1 1 7613 1 22605 1 8049 1 11941 1 534.184@12.965 1 1 15334 1 1 10160 14210 1 1 1 22620 1 1 1 1 1 1 C23 H2 O28 1 1 9669 8831 10308 13575 11003 1 1 1 19022 9509 6072 1 7106 10560 6739 > limit nullnullnull1.2209998 :2 8680 1 11414 21052 14135 21168 5874 1 5876 20137 12999 17983 15540 7600 15086 1 16644 C13 H4 N3 O14 10327 1 16821 27906 9454 19762 1 1 1 17492 11319 15753 11011 1 10130 1 14889 417.9904@0.85099995 1 1 1 8852 1 9761 1 1 1 1 9814 12836 10142 1 16469 1 11692 PD 173074 nullnullnull14.434999 1 1 1 1 63808 15449 1 1 42341 1 1 45537 72308 1 72362 63280 51401 1613.981@4.672 1 1 1 1 1 374880 1 1 1 1 1 1 1 1 1 105643 1 991.6584@0.818 1 1 10315 14420 18714 11008 1 1 1 18129 1 7327 1 1 1 1 1 C12 H5 O16 6797 1 11837 12972 9702 13759 1 1 1 8593 11219 12859 11111 10396 13139 1 14252 652.3969@12.758001 1 1 23741 19391 14520 17666 7472 1 1 1 13866 9682 1 1 1 1 1 D-Sorbitol 1 58643 8808 13264 8839 27532 1 1 1 13672 1 12806 9329 1 1 124142 6858 C28 H3 N O3 S2 1 1 14989 19971 18833 21326 1 1 1 21141 9398 20730 11828 7534 12835 1 11447 112.0155@0.867 1 1 1 16746 1 19537 1 1 1 24194 1 9951 1 1 1 1 1 317.9549@2.1000001 1 1 443852 1 797070 656636 1 1 1 167322 216079 80894 1 1 1 130912 1 827.8422@15.403 1 1 24944 1 1 202857 1 1 1 55310 42171 1 1 1 1 128700 1 983.9967@10.638 1 1 1 1 1 77804 1 1 1 1 1 1 1 1 1 1 1 C25 H13 N9 O21 S nullnullnull16.331 :1 15913 1004880 262087 1 199531 225174 1 1 1 1 1 86513 1 1 11562 1 45093 C21 H3 O20 S nullnullnull13.404001 17126 1 16786 10590 1 19496 9528 1 1 5513 8162 1 10187 1 8065 5239 1 Threonate 1 16013 1 5741 1 19187 1 1 1 10809 1 1 9115 1 1 41686 1 C38 H52 N7 O3 1 1 9830 1 1 15934 12420 1 1 1 11958 1 5875 1 1 7398 1 > limit nullnullnull0.81799996 1 1 14969 18572 18580 16371 1 1 1 10871 1 25647 1 7087 1 1 1 C52 H53 N2 O 1 1 98621 1 1 24106 7615 1 15055 10067 13058 1 16843 1 1 1 1 C21 H N3 O13 nullnullnull12.927001 84008 1 1 24680 62189 108763 62981 1 90279 108497 1 1 17516 26965 1 1 1 C39 H58 O9 1 1 14052 16874 7904 13428 10013 1 1 1 10829 11354 6126 1 6513 1 1 823.6228@16.093 1 1 1 1 23801 380572 335277 1 1 1 1 13485 1 1 1 1 1 C57 H92 N8 S 1 1 11470 9480 7972 11694 11990 1 1 1 16967 1 1 1 1 10771 7150 862.5523@16.647 1 1 1 1 1 308252 337633 1 1 1 385780 1 1 1 1 400965 1 983.9971@10.137 13816 1 1 10138 1 59010 1 1 1 1 1 78895 1 1 1 1 1 C6 H6 N6 O5 nullnullnull2.9710004 1 1 1 160119 1 15351 166877 1 160058 142423 150766 1 13399 179491 10662 155404 199410 Pyroglutamic acid nullnullnull0.868 1 18825 1 10580 10267 14812 1 1 1 20269 1 1 1 1 1 16408 1 C6 H4 N2 13737 10981 7665 9029 8903 7644 8603 1 1 8625 1 6432 7273 1 6726 19046 6580 PD 173074 nullnullnull14.431 1 23945 1 62727 40296 44442 1 1 1 1 13010 29684 46133 1 36803 19394 44245 460.3321@14.434999 22060 1 27770 1 1 30260 1 1 10348 1 1 30871 26805 1 29337 1 14300 nullnullnull13.708 81671 14766 90458 28636 1 35062 25981 1 1 27597 27702 1 1 1 1 54142 33188 983.9968@7.685 48330 1 1 1 13259 71229 1 1 1 1 1 1 1 1 1 21883 17824 217.9419@3.413 13950 1 1 100767 1 96466 108884 1 1 1 300489 1 1 105926 1 1 1 1074.588@0.822 1 6855 1 7323 19226 8601 1 1 1 14802 1 10889 1 1 1 10572 1 500.9542@13.083 26299 1 20993 24208 23955 127078 1 1 1 1 1 1 30146 1 1 1 1 C53 H93 N5 S3 nullnullnull13.718001 1 123159 1 1 1 38343 1 1 1 50358 47958 1 1 59810 1 21950 1 775.5508@17.386 1 1 214092 1 1 718528 1 1 1 1 1 1 47632 1 98271 1 1 C26 H3 N2 O6 S3 20600 40224 1 31293 1 46030 33390 1 18246 24637 1 29662 1 75514 19474 21889 1 C52 H50 N3 O S 1 1 307047 13725 9308 37927 76844 1 16864 1 111092 1 18954 1 32527 1 1 C52 H77 N7 O5 1 1 152715 1 1 117018 279522 1 96677 110709 204409 1 136978 1 1 1 1 Doisynoestrol nullnullnull9.803 133383 1 1 1 1 130762 123494 1 1 120056 9240 121738 1 129097 1 133500 121673 "3S,4-dihydroxy-butyric acid" 1 1 72839 69239 56883 78286 26769 1 209012 122922 321170 1 60778 236408 80653 17942 357669 96.9838@0.834 1 1 1 42683 21840 43230 1 1 1 24820 1 18600 1 1 1 1 1 895.5594@16.633 1 1 1000752 1 1 1835554 1523758 1 1 1 1624621 1 1 1 1 1 1 829.5808@17.682 40139 1 1 45217 1 1 1 1 660351 263303 1 1 125383 1 1 1 1 967.0078@2.082 1 1 2166960 1 1 1 1 1 1.89E+07 1 1 1 8119479 2.82E+07 1 1 1 60.0214@0.984 1 1 1 1 1959645 1 1 1 6671012 1 1457317 1 1 5609499 1265721 1 1419833 806.9904@12.427 83488 1 823452 1 1 1 1 1 479026 1 1 1 1 1 195115 1 1 C32 H69 N20 O6 52685 1 1 204933 216603 1 1 1 396628 568285 1 1 1 1 384486 1 202236 C29 H15 N2 O26 nullnullnull8.241 1 274823 1 144437 1833417 1 1 1 121682 1 71705 1 474045 1 30830 48121 90745 806.9921@2.1854 260924 1 561542 1 1 1 1 1 763210 1 1 1 1 1 1 112771 2677855 C32 H20 N6 O29 S nullnullnull9.432 1 1 271710 67896 47148 1 1 1 18796 1 18358 1 18852 1 36519 205541 15836 806.9921@14.117999 1 1 171052 1 1 1 51070 1 37590 1 1 1 31630 85665 298784 1 1 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull5.2119994 75421 226242 1 65440 1 1 28971 1 93809 1 1 146786 157830 8203 18546 28864 123601 C28 H9 N9 O21 nullnullnull12.096 83271 1 1 122795 1 1 1 1 108139 1412412 62920 124478 1 1 125447 148234 1 983.996@13.035 1 1 1 1 1 1 1 1 57841 1 1 187750 14672 1 201529 1 1 C25 H13 N9 O21 S nullnullnull17.124 1 1 1 38117 66771 1 382102 1 310394 1 78498 1 1 1 18567 307238 1 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull2.196 1 1 76150 1 548460 1 1 1 220775 1 1 1 67755 22924 1 1 1012388 806.9921@5.472 94378 420873 1 1 1 1 1 1 181090 1 1 234469 1 1 1 1 274858 C32 H20 N6 O29 S nullnullnull9.837444 11292 1 1 256536 13424 1 6473 1 11198 1 1 57034 1 46172 1 153889 24401 967.0081@11.397 2957000 1 1 506356 1 1 338633 1 84029 1 1 235406 1 1 1 1 1 983.9958@9.038 1 1 114424 48157 1 1 1 1 8577 17380 1 1 1 1 10177 1 1 806.992@5.896 1 65747 1 1 1 1 1 1 350631 1 1 161682 1 1 1 1 59982 C29 H15 N2 O26 nullnullnull12.254999 1 1 1071787 1 233547 1 1 1 108588 1381948 42433 1 142944 1 38546 114053 1 844.5573@16.921 1 157715 1 1 1 1 1 1 290666 537816 1 1 1 1 489318 1 1 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull5.105 1 140374 1 1 84961 1 9924 1 247178 1 1 133163 36919 8203 64688 1 127934 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull5.472 21032 1 1 40462 52351 1 1 1 116505 1 1 1 1 1 37512 1 130506 806.9928@14.314 1 1 931280 1 1 1 31849 1 37335 684210 1 1 1 1 1 1 1 C32 H20 N6 O29 S nullnullnull13.524 103763 1 1 178293 83241 1 1 1 71462 1 65281 235915 57155 32013 1 101787 77048 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull12.127 30228 1 1 33856 1 1 1 1 43836 525338 1 1 22058 20948 34830 149487 1 1613.9814@8.507 1 52644 1 1 1 1 519353 1 131535 1 1 27201 12357 1 1 1 1 806.9929@3.647 1 80979 1 1 685887 1 1 1 533193 1 1 38698 1 577672 1 1 1 C3 N O S 830530 84980 1104917 485966 1 1 152995 1 800680 1 771203 1 1 798199 924743 80212 714757 2-Iodophenol nullnullnull1.151 79485 135198 1 1 30296 1 69081 1 74187 1 24658 1 1 55931 1 114377 1 C46 H79 N5 O S2 nullnullnull16.904 1 58585 1 57238 37400 1 1 1 104301 220876 1 1 90846 1 1 1 1 C32 H20 N6 O29 S nullnullnull13.142999 1 66954 18571 107400 1 1 1 1 19231 1 23444 171681 93280 1 1 55569 1 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull8.417 1 103098 19498 141052 1 1 100674 1 270444 1 63980 41869 1 1 1 1 1 C32 H20 N6 O29 S nullnullnull13.511001 167397 118400 1 92261 84465 1 1 1 75646 1 65870 235675 57572 96497 1 101787 76170 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull9.23 1 1 1 1 68401 1 1 1 42281 1 1 1 17400 23703 27793 1 25511 983.9975@13.038 1 35129 1 1 1 1 1 1 23568 1 1 90488 11814 1 1 1 1 983.9974@12.986 1 30261 1 1 1 1 1 1 57841 1 1 187388 1 1 228298 1 1 355.8554@0.827 1 144745 1 1 1 1 1 1 44540 1 1 1 1 30913 1 140995 1 884.5413@14.973 29249 79603 1 1 1 1 1 1 22256 1 1 30966 75209 1 1 859176 1 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull17.046 1 1 1 1 106219 1 630017 1 41516 26457 43134 1 1 14749 14226 57992 1 C43 H79 N18 O3 1 76925 212783 58127 75384 1 1 1 129281 1 1 82714 1 1 137111 1 78259 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull2.222 1 1 76150 1 435239 1 1 1 247205 1 1 1 1 114148 1 1 1063751 C33 H14 N9 O28 nullnullnull13.285002 1 130094 1 205581 1 1 1 1 119247 1 1 291390 98364 66883 116306 54476 32013 1613.9816@16.234 1 35190 1 1 1 1 435708 1 14640 1 1 1 1 1 1 1 17336 1613.982@9.788001 1 1 1 152521 1 1 45973 1 8783 1 1 110033 1 1 1 111881 27806 983.9961@6.473 15217 1 90764 23417 1 1 1 1 23152 78507 1 22233 1 1 1 1 1 C33 H14 N9 O28 nullnullnull13.285002 :1 1 130094 1 205581 1 1 1 1 119247 1 1 291390 98364 66883 116306 54476 32013 1613.9829@2.094 1 41846 1 1 1 1 1 1 220775 1 1 1 187259 1 1 1 1 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull5.1059995 1 99455 1 1 65660 1 11980 1 176838 1 1 93582 31716 8595 42663 1 91085 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull5.295 75421 225609 1 94985 1 1 1 1 98867 53747 1 139062 1 1 11248 1 129223 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull11.857 1 1 85016 1 1 1 1 1 45608 1 1 52793 1 18639 18590 1 1 1613.9843@14.527 1 1 59974 26786 1 1 1 1 23453 26405 200262 1 1 1 18224 1 1 509.3566@13.413 32668 1 1 1 21572 1 1 1 16958 1 1 1 30066 1 1 19835 1 C32 H49 N2 O S nullnullnull14.277 107708 1 147241 1 1 1 76462 1 25113 1 1 30113 1 1 44992 1 1 > limit nullnullnull0.835 1 27118 1 1 1 1 9768 1 12222 1 6508 1 1 12281 6336 26917 1 450.32@16.899 1 1 1 50382 60921 1 1 1 169450 298131 1 1 1 1 1 1 1 1613.9816@9.8626 1 1 56656 152521 1 1 33315 1 233421 1 5824 58989 1 72518 9190 154980 34505 C45 H89 1 8757 1 1 1 1 1 1 12856 1 11495 11306 9578 8457 15809 8228 6522 1181.1882@0.8349999 1 16470 1 1 1 1 5987 1 9519 1 1 1 1 8678 1 18176 1 829.5819@17.699999 53534 1 1 56341 117397 1 1 1 860936 92856 1 1 147375 1 1 1 1 3-Hydroxy-OPC6-CoA 1 14221 1 1 1 1 6881 1 10106 1 6909 1 1 11768 6573 14939 1 C34 H52 N14 nullnullnull8.5859995 10136 9753 12386 10849 8515 1 1 1 6784 1 6284 1 6689 1 7515 7237 6527 C48 H65 N20 1 99427 1 47227 103620 1 1 1 207422 273474 1 1 263767 1 169950 1 1 1008.6078@0.823 1 14572 6803 1 1 1 7225 1 8434 1 1 19011 1 7959 10126 12703 1 837.5944@17.398 1 1 234640 1 1 1 1 1 144314 1 1 1 77449 1 1 1 1 C36 H67 N23 O2 1 518126 1 287981 562692 1 1 1 1082596 1500471 1 1 1434637 1 1 1 1 C31 H19 N8 O27 S nullnullnull9.841 88200 1 1 1377553 1 1 102567 1 1 219202 1 706456 1 1 48875 1195703 132232 967.0076@9.001 1 1 555096 438374 1193930 1 2366452 1 1 479066 1 1 1 1 54202 1 1 967.0077@5.256 1 1539198 1 1 1 1 247507 1 1 3395484 1 1830566 1 1 443393 1 683782 967.0078@2.556 1 1 1 2933843 1 1 672749 1 1 1 792808 3302449 1 1 1 1 1 806.9911@16.791 1 1 1 11677 1 1 271308 1 1 1 1 1 203464 76063 12584 77159 1 806.992@8.822 1 1 1 119870 783097 1 196938 1 1 1 1 44643 34422 1 12544 1 1 983.9968@15.234 182086 1 1 446031 1 1 42211 1 1 132352 503401 40919 1 1 1 1 1 C32 H16 N12 O22 S2 nullnullnull14.53 92230 1 164765 1 1 1 60663 1 1 1 269502 1 954907 105776 191495 685026 1 781.579@16.541 1 1 140321 1 1 1 82779 1 1 1 101915 1 1 1 1 62243 1 C28 H9 N9 O21 nullnullnull8.024001 568153 273740 1 1 4343993 1 94055 1 1 1 26383 44892 1 466176 18223 48677 100481 983.9965@8.089 12664 50748 1 1 1 1 50467 1 1 1 1 1 1 1 1 1 43673 1613.981@14.144 1 1 1 1 1 1 77181 1 1 1 1 1 1 60309 1 1 1 1613.982@9.928 1 1 1 1 1 1 62097 1 1 1 1 1 1 1 1 113838 1 2-Iodophenol nullnullnull3.2900004 18212 32222 1 1 26510 1 79615 1 1 1 92216 1 1 81428 69363 42514 1 378.2799@13.373 1 1 20387 1 1 1 18816 1 1 1 1 1 32339 35070 1 1 1 983.9961@9.916 6504 1 1 233182 1 1 6508 1 1 1 1 1 1 1 1 153889 1 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull12.368 37773 1 92246 12537 34962 1 28955 1 1 1 1 36532 1 54650 1 1 11843 1613.9829@1.823 1 90884 39936 1 104981 1 9213 1 1 1 1 1 219923 1 1 1 1 806.9925@14.038999 1 1 162277 1 1 1 51070 1 1 1 1 1 1 1 298784 1 1 C9 H2 N3 S nullnullnull13.491999 99733 161478 14179 1 1 1 92918 1 1 1 1 1 176244 34899 62076 1 193328 979.9842@1.018 1 1 25135 1 27227 1 18831 1 1 1 1 1 33916 1 11126 25558 1 C32 H49 N2 O S nullnullnull13.607 1 1 7254 72576 12312 1 20712 1 1 1 57582 109625 10698 14959 42628 31171 1 ?-Glutamyl-?-cyanoalanine 1 8566 13053 1 1 1 6243 1 1 16656 6817 1 8612 1 1 17029 1 555.7184@0.819 1 1 1 1 1 1 18098 1 1 1 1 11886 20043 1 1 1 12359 189.9788@0.76 27579 29276 11897 1 1 1 12818 1 1 1 1 1 1 1 1 14702 1 823.6204@16.554 1 1 129535 1 1 1 159790 1 1 11284 205579 1 1 1 1 106709 1 983.9967@14.347 79605 1 174937 1 1 1 73243 1 1 873058 1 1 1 1 1 1 1 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull8.043 86960 52434 1 1 153616 1 86651 1 1 1 1 19368 1 1 1 1 53287 983.9966@8.561 1 1 1 1 1 1 133084 1 1 1 1 1 1 1 1 1 1 Bromochloroacetonitrile nullnullnull0.8979999 1 1 9620 1 8764 1 8773 1 1 5947 13679 9350 1 12328 10722 1 13323 500.9547@12.872 1 1 79101 137256 47214 1 70037 1 1 1 1 1 1 1 1 1 1 C31 H19 N8 O27 S nullnullnull7.521 1367806 461837 577311 1 139561 1 1 1 1 1 172324 1 1 464145 103165 1 452447 C31 H19 N8 O27 S nullnullnull7.661 1052061 774115 884717 1 100405 1 1 1 1 1 81267 1 227994 1 1 1020930 517585 C25 H13 N9 O21 S nullnullnull5.114 1 88158 1 1 496399 1 1 1 1 284174 1 352872 90530 41241 1 1 1139227 747.5193@16.518 1 1 1 1 1 1 1 1 1 1 1 143542 1 1 116034 1 60663 806.9915@7.539 567694 185300 1 1 408002 1 1 1 1 1 1 1 1 1 1 62287 82605 806.9917@13.246 1 1 1 1 1 1 1 1 1 1 1 88726 1 1 1 1 70986 806.9922@7.62 523760 195255 1 1 1 1 1 1 1 1 1 1 95145 1 1 141685 129112 GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) nullnullnull7.543 118095 68317 1 1 145707 1 1 1 1 1 1 1 1 143101 1 1 82991 956.9772@5.485 1 72590 1 39562 32951 1 1 1 1 1 1 1 1 1 1 1 18128 C25 H13 N9 O21 S nullnullnull1.8269999 1 343642 307494 1 1960948 1 1 1 1 424754 1 1 75604 107447 14618 1 101700 806.9912@15.547 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 69307 1613.9818@5.881 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 87954 95241 1613.9823@15.238001 26080 1 1 110467 1 1 1 1 1 1 147337 1 1 1 1 180082 25190 C30 H17 N6 O29 S nullnullnull5.261 41040 187972 1 1 13833 1 1 1 1 28557 1 119065 1 1 1 1 26612 967.0078@12.091 1834887 1 1 230084 1 1 1 1 1 5399427 127961 1 1 443466 1 265918 1 967.0077@14.455 607218 1 701606 1 1 1 1 1 1 1274364 812221 1 1 1 373174 1 1 806.992@10.612 1 1 1 1 1 1 1 1 1 170683 1 1 70120 159006 17023 1 1 806.9923@6.215 1 1 1 1 1 1 1 1 1 1635675 1 1 1 37911 1 1 1 806.9924@16.019 1 423054 976982 1 1 1 1 1 1 568907 1 1 1 1 52774 1 1 1613.9825@14.325 1 1 82797 1 1 1 1 1 1 216251 104027 1 1 1 53002 1 1 1613.9806@14.466 1 1 79264 1 1 1 1 1 1 86616 265003 1 1 1 21859 1 1 895.5521@16.893 1 1 1 1 1 1 1 1 1 595384 1 1 1031696 1 1 1 1 1613.9832@14.302001 1 1 1 20545 108013 1 1 1 1 189362 103947 54937 1 1 55575 1 1 983.9959@17.423 1 48042 1 84010 61777 1 1 1 1 1 1 1 145211 1 1 1 1 983.9965@2.137 1 17472 37060 1 467964 1 1 1 1 1 1 1 35440 1 1 1 1 806.9924@15.121 88133 1 1 229447 1 1 1 1 1 1 230521 1 14338 1 1 1 1 956.9772@2.074 1 1 89945 1 1 1 1 1 1 1 1 1 74983 1 1 1 1 451.322@16.689 1 1 1 1 1 1 1 1 1 1 185830 1 165663 1 1 157688 1 806.9919@2.231 609745 1 1 1 1 1 1 1 1 1 1 1 1 1 1 114198 1 188.0147@5.042 1 13304 1 1 1 1 1 1 1 1 1 55135 1 88925 1 31999 1 806.9924@4.218 1 1 1 925705 1 1 1 1 1 1 1 1 1 281678 1 1 1 509.3567@13.703 1 1 21020 21369 1 1 1 1 1 1 1 1 1 1 1 1 1 750.3518@14.947 1 1 163780 1 1 1 1 1 1 1 1 1 1 1 50473 1 1 967.0076@11.373 1 1 1 1 1 1 1 1 1 1 1 233878 1 1 1 1 1 983.9965@2.2 1 17472 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1