metabolite_name S00026234 S00026235 S00026236 S00026237 S00026238 S00026239 S00026240 S00026241 S00026242 S00026243 S00026244 S00026245 S00026246 S00026247 S00026248 S00026249 S00026250 S00026251 S00026252 S00026253 S00026254 S00026255 S00026256 S00026257 S00026258 S00026259 S00026260 S00026261 S00026262 S00026263 S00026264 S00026265 S00026266 16:0 LYSO PC (M+CL)- 554107 550564 529722 556871 551915 562284 548151 588324 624345 538089 515220 626712 590136 564134 569671 550570 538058 377050 618760 547270 581527 608528 581897 590993 500612 586716 546124 546864 525118 476016 561846 518080 459943 16:0-18:0 PC (M+CL)- 18682 13791 25899 20670 19852 31523 22150 27951 27906 34527 36570 23309 23085 21240 25869 33883 11763 29742 31760 15793 23765 30657 22896 20049 27963 21324 32041 26169 20295 30742 46129 17ALPHA-HYDROXYPROGESTERONE (M+CL)- 1495 4190 3044 17ALPHA-HYDROXYPROGESTERONE (M+CL)-[-H2O] 11324 9757 7173 5844 7822 5214 18:0 LYSO-PE (M-H)- 167312 288006 141576 191249 384384 346666 192268 198259 170785 129540 177288 128438 118602 114482 145416 86866 151278 88840 152234 177535 127813 193193 110042 125819 108308 153324 195781 154914 305085 489149 91684 208283 66733 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (M-H)- 2087 3672 2'-DEOXYINOSINE (M+CL)- 3824 2'-DEOXYINOSINE (M-H)- 14062 28925 24454 30775 24122 35895 14516 19366 10827 17475 8178 14322 17573 24773 10749 4581 6539 4328 4143 27854 12743 19453 16251 6019 6751 17151 5643 2-DEOXY-D-GLUCOSE (M+CL)- 29331 31037 20339 18264 18031 15736 74056 183610 122597 77558 64076 81490 59295 61569 84675 30311 49648 15650 39822 52753 11728 53260 35685 12667 11163 27616 51484 35999 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- 267037 648916 329715 1745707 334412 326100 242476 1080798 460153 279929 631593 471675 943674 497305 256331 629008 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)- 33073 23193 35399 35322 20444 25809 30130 15757 27581 2953 17575 2-HYDROXYBUTYRIC ACID (M-H)- 6403 2-METHYLMALEIC ACID #2 (M-H)- 4503 9684 41507 7894 9534 27997 3935 2-OXOADIPIC ACID (M-H)- 34020 21896 172274 208563 20:0 LYSO PC (M+CL)- 18244 34623 17266 23835 26756 52480 40513 10921 12874 14042 21523 32201 11047 15041 12194 10949 6299 8560 10626 5465 8350 24:0 SM (D18:1/24:0) (M+CL)- 48841 11827 9746 6916 35352 39275 90896 87681 96362 79478 50726 68629 62429 40246 36521 3234 69380 57402 64193 96836 125171 74628 104148 51415 80659 57000 79967 84570 71140 61790 82831 3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)- 14131 22010 12823 16974 35282 16320 4719 6439 1704 6529 5488 6556 3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- 463378 743897 771614 202090 783607 572953 265116 287063 469153 160898 187302 236968 237211 335795 183703 209802 130868 511670 537419 289806 206721 144432 185188 334713 112406 3-DEHYDROSHIKIMIC ACID (M-H)- 18046 14240 1443 2346 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- 72561 82259 78336 178457 86529 114373 72731 151976 283587 179116 353580 425553 246100 186596 165926 112976 478863 134481 113680 373255 120505 322931 488678 1254021 220643 143552 206694 156883 52572 711946 3-HYDROXYBENZOIC ACID (M-H)- 27795 3-HYDROXYKYNURENINE (M-H)- 5848 20426 4657 3-HYDROXYPHENYLACETIC ACID (M-H)- 6074 3-HYDROXYPYRUVIC ACID (M-H)- 7866 3819 4386 4483 1554 3-METHOXYTYROSINE (M-H)- 3998 11819 25479 2683 1667 9543 11396 17550 2851 3509 1312 3-METHYL-2-OXOPENTANOIC ACID (M-H)- 2532127 3689927 3107152 3716097 4023981 3235171 4041580 3286264 1435600 1992615 2407872 2362051 1367711 896223 1927726 869256 2197232 1769134 2630435 1814814 1786892 1347770 2060631 2681093 2685457 1887978 1785662 996082 1221623 1714938 2190424 1931015 3-NITRO-L-TYROSINE (M-H)- 5576 3-OXALOMALIC ACID (M-H)-[-H2O] 13077 14448 18494 7940 8444 1375 5521 3-PHOSPHOGLYCERIC ACID (M-H)- 44604 67070 1119812 41080 44041 1846332 50754 1293973 35260 45756 35056 42508 39713 43322 42508 143788 30157 12078 919559 46575 45919 43733 30157 41921 760390 32432 44604 33987 28630 27610 117166 33413 27282 3-SULFINO-L-ALANINE (M-H)- 8349 3073 2500 3-UREIDOPROPIONIC ACID (M-H)- 9947 8686 5532 25765 23121 67635 14662 22306 8884 8035 9458 10045 14219 4-HYDROXYBENZOIC ACID (M-H)- 22842 6434 9054 14431 31522 17422 15144 22260 16544 23996 31207 12422 10853 11445 34115 13112 12395 6349 35937 35436 12699 7669 9782 4525 17375 4-HYDROXYPHENYLACETIC ACID (M-H)- 24140 4-METHYL-2-OXOPENTANOIC ACID (M-H)- 3324282 4416485 3459511 4854598 4739594 3142288 5095925 3739344 1788272 3029342 3572659 3375463 1549340 1462049 4284804 1088307 2993037 55803 2884284 3017032 3005202 2577814 1888955 3017827 4327473 4684093 2748659 2663105 1155485 1429801 2614754 2845456 3397087 4-NITROPHENYL PHOSPHATE (M-H)- 4493 18465 1508 3820 16580 1291 4-PYRIDOXIC ACID (M-H)- 37918 7136 23320 9150 6063 6105 5'-METHYLTHIOADENOSINE (M+CL)- 3439 1383 2431 4058 3857 3452 2156 4847 6092 5039 2778 6424 2698 4427 3048 7506 3949 4074 3215 7135 5314 6025 4577 10106 17894 5-AMINOPENTANOIC ACID (M-H)- 4473 13425 3223 12021 4436 18130 15766 36918 37495 11279 34417 30558 22387 29192 20201 24891 42084 14924 35648 41161 4328 10158 22462 28510 35338 16941 36898 18581 18625 5-HYDROXYINDOLEACETIC ACID (M-H)- 56738 115464 72743 115236 95534 140625 102165 74347 35517 49362 84736 94471 28268 20480 42655 25237 43685 53154 56289 38663 46284 42803 66721 121153 59240 29798 58763 21326 25484 83981 41989 56747 5-HYDROXYTRYPTOPHAN (M-H)- 22968 17342 27025 22571 19102 20471 32648 22270 17359 13234 17161 17169 28061 13033 60985 13247 24944 16386 20916 45650 20756 44680 24107 18891 63249 5-OXOPROLINE (M-H)- 446715 441652 544363 787619 413684 697558 545682 406389 473904 470461 776709 348843 468425 471669 1009773 116180 731924 643676 381176 488289 617847 751967 1332496 465446 616165 547772 408898 337386 416302 807218 573412 ADENOSINE 5'-MONOPHOSPHATE (M-H)- 49902 3505 3895 3091 5208 4889 34005 36673 3137 20131 ADENOSINE 5'-PHOSPHOSULFATE (M-H)- 1416 1131 ADIPIC ACID (M-H)- 224304 161875 175358 190685 132280 249758 288595 469002 723709 346946 348455 441408 694983 427882 849183 912559 623799 66878 933421 1707253 2315277 2247282 388011 1247477 2176676 2183143 1757252 1526899 1017839 1122325 552311 446198 2008589 ADP-RIBOSE (M-H)- 1291 1592 ALLANTOIN (M-H)- 13380 13951 29519 123116 54896 169124 19786 145901 39302 63894 43049 125103 33836 240050 58697 37938 35520 43222 ALLOPREGNANOLONE (M+CL)- 11209 6167 8831 4352 6056 3519 3955 5862 4249 6209 6200 5043 9106 ALLOPREGNANOLONE (M+CL)-[-H2O] 7434 ALPHA-KETO-GLUTARIC ACID (M-H)- 335099 486880 462500 395607 683808 331386 325886 298965 297792 234437 100864 273753 212266 374730 7442 181407 534907 377679 612706 157642 332030 364492 284554 429715 151258 150011 88965 ARACHIDIC ACID (M-H)- 126241 88810 88668 224007 169845 45507 219550 153795 45784 106358 229074 25226 22484 78996 88773 119736 128268 53506 57142 75237 92133 64205 53419 71084 87334 105825 130960 91384 55093 57974 77843 212635 31678 ARACHIDONIC ACID (M-H)- 3653759 4597777 1905368 2494889 3133718 2571500 2345639 1419994 1137841 809587 1513377 806074 751915 814682 1088140 1860906 1323040 139451 1036398 1407524 795632 1123668 798204 1271148 1872128 816154 1663392 1073368 1218981 1408065 876494 2670617 405371 ASPARTIC ACID (M-H)- 3886 AZELAIC ACID (M-H)- 13064 18538 8224 13426 12022 BEHENIC ACID (M-H)- 91416 187148 104514 348331 327822 27069 502280 348845 36623 312516 608796 17641 16629 146943 44951 85105 163634 48730 27721 125971 227668 70207 23979 34121 154722 162097 187976 122270 47860 60289 144681 646619 54097 BENZOIC ACID #2 (M-H)- 4103 BENZOIC ACID (M-H)- 16563 9887 15929 44424 45672 13750 32931 14935 26490 66540 40138 7560 20511 10572 28167 8060 11053 49685 29481 13916 18015 79377 15850 31799 28516 19990 25292 35384 25917 135669 BIOTIN (M-H)- 3586 C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)- 4518 2249 5121 6612 7295 2314 9875 4348 CAPRYLIC ACID (M-H)- 9805 8654 2652 CHOLIC ACID (M-H)- 6045 3885 6841 4993 3053 3997 10713 4159 4418 4135 7118 3270 6223 CIS-11-EICOSENOIC ACID (M-H)- 376027 356459 248679 419981 496296 110967 459255 209985 140543 87893 368359 90668 41236 115026 162929 195281 306644 41477 108802 113521 98683 103856 275616 262070 151114 195172 219846 219080 99009 115626 94338 375249 120762 CIS-ACONITIC ACID (M-H)- 17676 54168 22381 6411 17980 CITRAMALIC ACID (M-H)- 16917 92771 76977 22449 24242 153433 55893 46347 47150 41855 5315 218397 CITRIC ACID (M-H)- 4208384 2836210 4483788 5065725 5850009 9388495 4852057 4883214 268974 92517 1000649 280333 700945 84563 319183 571520 748810 82208 459484 1091900 204925 1310598 170070 246364 104330 570071 359465 566504 80703 185322 6354 621776 350074 CITRULLINE (M-H)- 22462 25782 71146 17900 33947 7878 29676 31592 25066 22326 10644 101425 12544 68899 12362 25735 10178 27313 15466 CORTISOL 21-ACETIC ACID (M+CL)- 16996 CREATINE (M-H)- 31288 4950 46380 36323 17852 16270 18395 33555 17951 7597 CYSTATHIONINE (M-H)- 1846 2040 CYSTEIC ACID (M-H)- 2038 2903 3622 CYTIDINE 5'-DIPHOSPHOCHOLINE (M-H)- 5508 2781 D-GLUCOSAMINE (M+CL)- 35824 50107 34022 39178 43868 39860 29998 29545 34701 35565 37456 29277 27055 20030 29324 28918 36912 19582 20273 10734 12728 24456 12680 17008 D-GLUCOSAMINE 6-SULFATE (M-H)- 15172 D-GLUCOSE 6-PHOSPHATE (M-H)- 1368 1328 1875 1716 3984 D-MANNOSAMINE (M-H)-[-H2O] 12200000 11300000 11000000 6042451 4493453 7838030 4017418 5897168 6130370 5236926 4041713 5987693 2762615 623053 5099777 4007885 7649277 392939 5761372 3442443 1367360 5037999 1620448 2186916 3945928 2639957 3606845 4874946 4411333 4244728 1195922 3701634 3916813 DEHYDROASCORBIC ACID (M+CL)- 4185 DEHYDROEPIANDROSTERONE SULFATE (M-H)- 2463 2262 DEOXYADENOSINE (M+CL)- 1099 3526 5649 DEOXYCHOLIC ACID (2M-H)- 23141 7515 6869 3865 9422 24984 2474 2609 2573 50903 5255 2392 8573 2566 DEOXYCHOLIC ACID (M+CL)- 94119 58419 46099 40133 60876 15783 17238 88476 9587 17061 4038 30238 30559 31529 5155 9499 9261 139319 9247 17014 42559 30063 17109 57712 14282 31644 19877 21917 5362 24861 DEOXYCHOLIC ACID (M-H)- 401360 227055 219707 152131 261072 43554 22697 434808 39022 69207 11359 153696 134544 142425 20008 13570 15794 19206 652636 34640 55095 184564 101759 31340 259461 62027 136075 76488 86178 106751 19478 DEOXYURIDINE (M+CL)- 129062 282336 223135 322364 488552 257091 283969 195342 118005 184462 211008 120401 203845 89517 212118 64908 231285 147726 211347 168247 153391 114450 237006 236407 204514 173104 208768 100150 122403 245306 309242 133117 DEOXYURIDINE (M-H)- 28003 38467 37123 34813 36632 34430 19606 26302 18508 18851 22792 18043 25042 10128 15690 11992 31514 16052 6944 18619 12567 28572 14773 18507 20433 26127 DEPHOSPHO-COA (M-H)- 2481 DGDP (M-H)- 2216 DIHYDROXYFUMARIC ACID (M-H)- 1422 DOCOSAHEXAENOIC ACID (M-H)- 1457002 995738 511656 559362 1177869 581427 1009985 310463 283951 181787 436409 165449 166919 137118 253603 669915 310116 34459 215946 326767 150220 558096 543635 357357 198459 241230 642332 529053 154359 178745 191397 616530 43135 DUMP (M-H)- 41446 2672 9632 26379 33117 16805 37022 22916 13941 52887 44546 7886 19892 15790 45981 4259 29176 17445 9158 6483 5282 3483 EPIBRASSINOLIDE [ISTD] (M+CL)- 942600 868544 914031 868939 895135 946321 952276 672105 802806 870797 851377 875856 444739 469633 934393 895835 819431 926666 921647 855846 897051 890506 931980 872603 874640 876473 885377 906242 895781 866967 909362 858668 864883 ERUCIC ACID (M-H)- 24478 22284 20985 45075 70476 7070 51362 25189 22779 24976 52455 10321 7574 14254 21394 70158 48399 7812 17239 27577 19631 19560 23909 29506 21491 31150 28816 30399 20538 20267 13676 70419 11054 ETHYLMALONIC ACID (M-H)- 23540 13880 10112 25845 81062 18661 30818 22197 75166 16823 93508 62494 42165 52712 29605 68278 20329 95570 71818 85999 33965 49208 12109 88449 FERULATE #2 (M-H)- 4237 2127 2894 FLAVIN ADENINE DINUCLEOTIDE (M-H)- 31218 34458 39798 29249 44292 30598 24401 24136 6362 3899 6390 17979 FUMARIC ACID (M-H)- 28642 76210 60109 71563 60044 55882 46000 61000 43969 75550 64724 131583 52892 45325 52391 27298 33382 73355 45539 50093 51683 42921 55871 133109 103714 41831 77207 28608 30343 115810 17080 93973 GAMMA-L-GLUTAMYL-L-CYSTEINE (M-H)- 3827 5223 GERANYLGERANYL DIPHOSPHATE (M-H)- 18501 17661 11039 17327 21281 15297 10974 11243 14160 8674 6525 9018 13078 16175 9335 13103 15291 11828 13955 GLUCARIC ACID (M-H)- 41413 39183 12056 11231 8215 13567 54975 16584 16162 12006 11111 10486 14313 14308 28921 12893 10212 46936 13092 11297 12663 16921 42557 11158 17519 10620 8186 11177 29520 27713 15570 54240 17050 GLUCONIC ACID (M-H)- 2397 4547 1690 2862 7787 12905 17485 16099 1889 90624 17992 1744 11740 3919 10656 GLUCOSE (M+CL)- 224342 201630 868865 248675 173526 1715492 48956 701654 390265 3401100 1518439 6465399 2078622 4239469 3455245 1891535 3874911 41729 1687415 3278215 108921 9941454 33164 85237 25629 9427272 135610 1423226 2071067 1882769 1629167 GLUCURONIC ACID (M-H)- 3013 3462 7893 2581 1774 12430 10558 4065 9056 GLUTAMIC ACID (M-H)- 66603 GLUTAMINE (M-H)- 31416 24868 46715 24481 31842 18756 18514 10309 77622 29792 49816 17273 19198 9675 13935 39592 24347 39852 25005 26919 192303 18091 37772 20669 22584 24079 37201 14581 GLUTARIC ACID (M-H)- 7274 17698 15612 16109 13315 21060 12489 35011 20346 30135 41880 45172 22524 23181 55460 22473 41281 40388 51777 39354 53368 10840 64009 42216 201100 88193 32630 46010 63126 95635 12701 70677 GLUTATHIONE (OXIDIZED) (M-H)- 53860 79503 49253 78617 83269 79748 65327 25284 5682 1647 7034 2764 9034 19494 13825 8401 3792 7429 5484 11769 21973 9589 1326 12440 56606 56612 GLYCERIC ACID (M-H)- 23124 28945 19282 14523 27127 45039 55606 24340 18583 28486 30985 25563 27279 18602 33166 26348 GLYCEROL 2-PHOSPHATE (M-H)- 342245 203244 395794 364147 377389 938027 367683 282526 157036 21693 65250 18356 126112 124453 64849 131008 349467 167609 62667 51242 7242 79419 143584 128855 19762 32748 16258 296414 93274 GLYCEROL MYRISTATE (M+CL)- 2821 2913 3430 GLYCINE (M-H)- 3056 GUANIDINOACETIC ACID (M-H)- 4470 2900 GUANINE (M-H)- 2219 2237 3672 GUANOSINE (M+CL)- 51436 31986 37390 35635 10806 36235 28649 21712 28746 25882 11207 5727 33951 11126 38580 24829 27873 12037 17657 17380 16315 36427 7463 26142 45649 34665 41454 14305 56413 24435 GUANOSINE (M-H)- 98357 92013 82720 73486 80257 47184 6551 59874 85797 115152 125862 GUANOSINE 5'-PHOSPHATE (M-H)- 3167 3170 2653 2064 1145 1149 HEPTADECANOIC ACID (M-H)- 173307 42188 29758 97105 134640 31165 131438 87991 104883 62074 170277 83815 74581 93852 147864 171497 112833 61971 90492 65301 89456 82793 125656 139910 27872 102819 114297 97895 74168 79841 54740 117464 46317 HIPPURIC ACID (M-H)- 4141067 10800000 8456570 5574433 6493484 17300000 5215884 6853633 1077084 1010744 735233 1703285 543943 639032 617138 2748393 1356270 533049 1351881 340626 1568749 307850 3391085 1882805 925023 871104 745784 271328 428133 738325 743204 2350383 HOMOCYSTINE (M-H)- 4763 1374 3337 2668 6733 HOMOGENTISIC ACID (M-H)- 28122 HOMOVANILLIC ACID (2M-H)- 9598 9957 7939 7841 4644 7555 9850 4254 4294 4669 4707 5285 6288 5479 6224 6137 5319 5944 5091 5901 5498 5883 6854 5503 5677 5618 5491 5242 5636 5230 6667 HOMOVANILLIC ACID (M-H)- 22122 13713 32861 26737 20796 19365 26186 15364 32906 9613 21332 24320 8423 8801 7927 HYODEOXYCHOLIC ACID (M-H)- 249799 180468 26778 408915 184079 281864 105417 344852 448229 184592 358029 418448 400319 1697247 420926 72883 205866 339301 342940 1649843 167034 319924 266776 473861 331700 610282 253681 179790 222424 404535 213006 150952 633721 HYPOXANTHINE (M-H)- 227993 156351 53789 248086 70580 34778 361306 68236 476647 110038 590621 380831 630634 177032 268004 53712 823498 161929 745893 391617 71328 201215 560732 219052 479409 382983 524452 286769 531651 599048 23259 1056491 325372 INDICAN (2M+CL)-[-H2O] 3785 7674 3848 INOSINE (M+CL)- 1654845 350363 624928 714238 683131 509369 232479 477019 343860 190289 291321 435307 155295 74855 233356 266219 1005470 83541 839116 196547 98558 238578 270571 109358 144935 2006856 278803 2124336 866564 484973 195181 871124 620830 INOSINE (M-H)- 13600000 13400000 13200000 7713220 7372093 9019340 3099645 5206846 6808084 5692849 5745481 6701052 2921648 718386 5652941 4463438 9825092 395324 6863018 3678260 1402130 5382710 1695403 2276390 4300193 4451859 4083760 6453463 6128804 7918420 1235374 4284070 4401503 INOSINE 5'-DIPHOSPHATE (M-H)- 255166 266665 227919 347924 490569 219570 212633 6499 19257 14995 15345 18749 25414 9128 35119 15077 32447 16574 12900 22214 8435 21310 2935 4339 3013 INOSINE 5'-PHOSPHATE (M-H)- 5865 3072 2179 2231 26542 2006 ISOCITRIC ACID (M-H)- 1649469 701693 671397 1660693 1180004 2881535 4873828 1437960 263419 206784 550500 257780 409694 54823 348176 495735 447962 36562 272237 867492 257046 856191 108879 383893 154533 566419 246583 561891 60297 141183 49548 89008 48898 ISOLEUCINE (M-H)- 246522 397951 487345 607807 433201 444350 615148 555754 553103 224069 639369 428797 631479 351881 759749 40072 258622 685769 714165 241931 353541 791342 725776 847802 323034 311349 299148 614168 456780 349944 ITACONIC ACID (M-H)- 62462 70659 34905 47597 26737 49747 19006 38664 30608 24544 22277 5917 95617 24887 27658 29940 17322 58030 27769 120761 39554 402358 611379 91482 KYNURENIC ACID (M-H)- 14668 6483 6866 3802 3544 5772 2833 2447 7026 6778 5097 KYNURENINE (M-H)- 112217 114003 106425 103316 99816 146000 158071 97621 100683 78994 73866 60332 178485 52335 125136 86055 70386 185313 35646 98060 113301 91132 40146 115411 58640 69353 107865 46300 75275 L-ARGININE (M-H)- 1984 2092 2876 1370 1666 1249 3054 2111 L-CARNITINE (M+CL)- 5957 4681 4455 L-FUCOSE 1-PHOSPHATE (M-H)- 14399 7334 L-HISTIDINE (M-H)- 18511 15577 23637 20615 19030 17215 22130 19538 28873 20739 15686 22699 22810 13533 13482 13650 26858 3314 18682 26113 14243 20255 38800 18201 23263 20322 20351 21746 14555 15125 20988 16485 28219 L-METHIONINE SULFOXIMINE (M-H)- 26539 L-TRYPTOPHAN-15N2 [ISTD] (M-H)- 977332 852036 957124 848859 822376 854043 992252 716189 825786 902637 916476 950803 420396 474740 922329 944511 825089 1067588 881168 716370 772964 798927 948131 846788 698312 765334 777024 848825 853240 838559 945587 841034 706310 L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- 156632 133741 150088 152848 154794 138989 168556 108139 141666 165588 156097 163302 71821 74042 164737 150759 142728 110441 149274 150907 149968 157151 158285 134251 145907 141686 157201 160718 161549 158783 159489 144369 145387 LANTHIONINE (M-H)- 6070 28787 16007 9725 4463 6583 9345 4390 3830 LAURIC ACID (M-H)- 238765 424164 267986 400612 739281 236123 462481 424051 96283 398915 376541 308378 39334 185501 496217 115732 453323 28764 475296 44671 578343 1243660 373828 574491 24502 67677 114995 343268 80950 102937 74177 125437 58740 LEUKOTRIENE B4 (M-H)- 24218 55518 39562 74176 114265 14228 33874 69991 55580 54610 40725 10963 22945 27315 69191 44285 192862 5873 42135 11260 19222 43887 56513 142983 1172271 39321 210895 37219 258793 312072 7676 88669 80252 LIGNOCERIC ACID (M-H)- 58696 89876 68385 249962 180664 18002 376945 221129 28534 278941 491861 19116 18673 127072 36297 67015 117838 26618 21988 120295 254279 68210 26229 32126 166219 140339 136333 126224 64050 72211 127799 606410 75443 LINOLEIC ACID (M-H)- 19400000 19700000 10600000 6393555 11200000 5657026 14800000 4838023 3113132 3698615 7086108 2175028 1674235 2498863 3652503 18800000 5721758 1949717 2769554 6395304 3046956 5892059 5134821 7202740 5952716 4348480 13100000 5278905 7203102 7838891 4357919 9796137 2979169 LYSINE (M-H)- 2469 1560 2418 5810 4125 4816 3057 4489 3180 1806 2662 3294 2553 2212 3197 M-HYDROXYMANDELIC ACID (2M-H)- 3977 MALEIC ACID (M-H)- 76634 64525 171233 173867 119975 151069 84995 11984 134564 194812 68305 47201 90960 43581 44083 108924 105267 92322 111797 58805 108162 18014 163244 62206 156818 44036 67436 37517 51183 75006 MALIC ACID (M-H)+[-H2O] 79871 64545 145843 137775 152930 173311 118129 149479 136213 192706 90493 43680 12527 11375 110861 74859 38673 169226 150014 14869 27301 MALIC ACID (M-H)- 221909 50636 408721 401682 405728 422320 383992 171310 39895 309395 283961 249598 436815 61824 490442 84508 9648 MANNITOL (M-H)- 5093 7267 METHIONINE (M-H)- 13981 3844 METHYL BETA-D-GALACTOSIDE (M+CL)- 5256 150743 93877 2427 7313 10797 17746 155639 12683 37366 8386 9081 6414 7271 7338 13670 15909 13823 4975 13320 METHYL VANILLATE (M-H)- 25086 35498 54388 19855 6611 6780 3501 49416 METHYLMALONIC ACID (M-H)- 71568 93137 92332 161828 136149 129941 96251 131790 67533 94115 87496 134595 56273 34456 58614 27756 68931 75314 77608 80447 67995 75786 73011 127938 113659 41563 88053 37155 45369 101995 43468 94534 MEVALONIC ACID (M-H)- 42723 31317 36707 36472 72707 25005 72654 23845 81589 40893 44659 74186 37110 58717 31359 87287 64358 48737 59589 39246 67182 37979 44821 45276 48800 67599 30588 28433 30877 41130 38479 55007 MYRISTIC ACID (M-H)- 196211 121442 144480 142093 225181 100258 183656 138273 149704 122111 175246 128069 134323 140251 159772 206121 169828 131325 136026 133863 131589 189697 199286 212752 145581 165418 219606 191631 199895 207048 124839 220828 117019 MYRISTOLEIC ACID (M-H)- 31778 15448 17926 20944 17991 9443 17597 15615 11483 9276 15458 6944 7217 9217 26224 15493 8670 9926 9986 8941 8333 19853 39778 26861 19371 12943 21234 35000 38590 12835 40795 11992 N-ACETYL-ASPARTIC ACID (M-H)- 39053 35131 N-ACETYL-D-GLUCOSAMINE (M+CL)- 24793 21572 24385 21130 10643 8026 49102 85754 82574 82332 52848 110647 41167 28514 16676 90960 37980 74275 14355 89815 48379 33175 82556 19201 41453 36866 59113 47745 26764 N-ACETYL-L-ALANINE (M-H)- 64520 71428 36086 79455 63816 99033 71782 89954 84131 129314 53421 85155 60975 85924 135177 90380 29510 87827 123654 137771 110257 106489 49794 136480 129839 N-ACETYL-L-PHENYLALANINE (M-H)- 191651 295576 134271 427385 297334 554174 362302 362518 43867 60303 123010 92230 29203 27105 57178 33210 83460 76432 199401 51296 80104 34459 151713 173721 120887 58917 80564 89666 108008 116356 78625 94403 N-ACETYLGLYCINE (M-H)- 59776 15857 63794 134682 90652 25544 27430 9535 18795 23399 68227 15242 23373 110475 63177 32358 27892 43884 31677 23965 N-ACETYLNEURAMINIC ACID (M-H)- 12765 1989 1685 1549 3396 4446 7870 9484 5367 7579 10415 2952 1391 9380 4444 4157 14411 2867 3457 1984 1086 4767 1706 N-AMIDINO-ASPARTIC ACID (M+CL)+[-H2O] 102389 63598 20297 99266 208931 5627 12645 31949 3557 8038 27162 N-AMIDINO-ASPARTIC ACID (M-H)- 38030 19275 N-NITROSODIETHANOLAMINE (M+CL)- 2478 2589 1711 5901 13320 2537 2495 N-OLEOYLGLYCINE (M-H)- 6915 3040 5571 3640 2826 3117 NAD (M-H)- 3718 NERVONIC ACID (M-H)- 20953 19527 21665 20870 48839 6968 24748 8958 28730 19522 37344 21133 19946 13326 22460 59641 32752 7187 16900 32683 21981 25017 33584 18144 23189 16572 21254 18495 31964 33091 10232 30396 25661 NICOTINIC ACID MONONUCLEOTIDE (M-H)- 1969 1185 O-PHOSPHO-SERINE (2M-H)+ 1693 9276 13491 11693 3962 O-SUCCINYL-L-HOMOSERINE (M-H)- 24887 30671 23295 26951 37697 36011 22084 18517 39037 4943 25761 19449 7341 3428 45318 45274 23389 31025 40042 35062 38095 15185 34596 30850 9902 6467 37329 10116 OLEIC ACID (M-H)- 12700000 9963234 5441682 7724974 13600000 2378643 13900000 3308513 2977529 3705533 8402723 1660679 1249356 1789165 3085926 7432868 6440688 1744073 1981038 5460478 1829256 3940094 4353506 4651841 6122658 4548885 7115069 5578572 6801937 7482015 3608751 9379103 3908289 OLEOYL-GLYCEROL (M+CL)- 167594 250319 347575 208387 310890 134637 448858 165056 94151 196817 358109 98157 145978 178259 484764 269101 172621 231627 280979 370722 222351 442924 OMEGA-HYDROXYDODECANOIC ACID (M-H)- 13662 11981 OPHTHALMIC ACID (M-H)- 25610 42504 14712 19328 39362 35908 21258 42114 8094 20076 12782 38641 134972 ORNITHINE (M-H)- 5796 2427 8261 4804 2383 2655 OROTIC ACID (M-H)- 6629 6256 5907 9696 8828 3865 OXALIC ACID (M-H)- 6856 33875 3774 29672 4280 51233 21476 14736 11768 1073 1027803 1233009 11443 1277 6515 7338 8503 1890 958971 15939 17466 1943 2098027 2440 321462 OXALOACETIC ACID (M-H)-[-H2O] 732676 662517 707852 668101 637655 590825 671703 697203 831763 808021 780266 822587 845802 891764 831081 813039 804355 1053875 829475 745103 766252 778998 837013 776298 775195 760947 863168 786290 827342 795783 853695 788746 810473 OXOMALONIC ACID (M-H)- 5119 2794 3453 PALMITIC ACID (M-H)- 2334213 983353 1093593 1544673 2340440 748875 2501432 1108082 1228526 1429250 1975398 808307 698038 737767 1443646 1821922 1846371 1187564 951189 1871074 902367 1646500 1525415 1424643 1901304 1481716 1785047 1787441 2407796 2528950 1173621 2775528 1455389 PALMITOLEIC ACID (M-H)- 291206 172992 184377 202577 253343 83533 215830 145339 326386 145128 294969 114760 92612 100546 151274 278220 238385 151583 169313 204015 114073 354089 740453 450524 308086 246381 335999 337673 426691 458220 149641 437337 171320 PANTOTHENIC ACID (M+CL)- 96854 109907 69060 107770 89937 139225 131190 140874 45294 38563 56933 73613 31193 25851 52536 26034 105858 42389 60174 31629 48465 29724 54687 63027 92007 38776 51338 33410 41323 35713 58124 88537 PANTOTHENIC ACID (M-H)- 806277 971294 456760 732770 846224 637682 592523 617448 419486 343976 501113 638380 286097 257370 470088 234789 527257 18322 414343 318042 278198 406284 266285 444894 516255 796427 329454 464552 292166 378774 318400 488187 723853 PHENYLALANINE (M-H)- 1695201 1414833 1944078 2133921 2586120 2691411 2156673 2271523 1055729 1431940 1813047 1296011 718061 714682 1223752 930479 1694278 68847 1269408 1429574 1583378 1391608 1165203 2522495 1843071 2045047 1224161 1502227 2836401 3383433 1373953 2426859 1441180 PHENYLPYRUVIC ACID (M-H)- 11702 42916 14142 66687 41780 27624 42597 47975 27637 11436 68497 12030 22710 12137 43708 7137 57124 7780 15176 9484 20558 PHTHALIC ACID (M-H)- 8589 5192 9332 10362 19003 PHYTANIC ACID (M-H)- 23372 22995 29749 22245 43040 14778 26723 16365 11602 9399 20738 8753 5615 12251 15255 13091 10018 8389 6355 11579 7805 14465 14564 7000 12696 13176 13215 5534 6469 5035 28045 5636 PICOLINIC ACID (M-H)- 1980 PIMELIC ACID (M-H)- 87849 50389 27026 64479 6360 15443 10931 16123 12110 PINITOL (M+CL)- 34594 138559 10797 16323 156879 12683 37366 8225 9081 6414 49749 13321 15909 13823 5019 13320 PIPECOLIC ACID (M-H)- 1097 PROPENOIC ACID (M-H)- 3637 10629 PROSTAGLANDIN E2 (M-H)- 2237 4171 PROSTAGLANDIN E2 (M-H)-[-H2O] 5755 5301 PTERIN (M-H)- 1940 PURINE (M-H)- 58182 8420 PYRROLE-2-CARBOXYLIC ACID (M-H)- 1394 PYRUVIC ACID (M-H)- 18578 18526 18204 1705 15975 33874 87412 31699 81602 61387 83707 95094 17798 43583 43546 65744 70386 77035 74580 13021 21503 57528 62549 84460 14866 8040 QUINIC ACID (M-H)- 555030 11991 60437 98910 25727 224569 21674 RAFFINOSE (M+CL)- 11510 2315 7333 74821 45504 11389 32784 343371 10384 13155 8834 8761 23112 30864 10872 109849 4448 21305 13106 7010 7178 15566 26079 25112 18514 23890 19624 4406 6345 10322 17119 32520 RETINOIC ACID (M-H)- 24160 26689 31046 76088 152815 3883 19392 93500 71724 30264 79730 54305 168627 54233 128001 226648 675514 22038 240165 6260 22520 53172 104016 167710 872060 121075 396389 44574 291193 289212 11521 279866 53943 RIBITOL (M+CL)- 30871 28371 29316 24274 33512 51479 55666 92137 50327 40667 69869 66287 18775 174591 73200 117920 100895 38571 34267 43288 60424 RIBOSE (M+CL)- 28479 12396 41085 6761 13848 24851 82464 45364 46809 41112 53814 13631 71876 40228 55185 28090 23105 13330 64998 7373 17826 12278 55253 18527 48549 34157 12655 S-ADENOSYL-L-HOMOCYSTEINE (M-H)- 34725 35257 15484 SALICYLIC ACID (M-H)- 5491 5311 SEBACIC ACID (M-H)- 53850 163669 34581 33245 16494 36279 48176 40644 18160 13608 17593 10175 5135 17937 10096 SERINE (M-H)- 2148 2303 2465 1115 1827 4999 2169 6164 3141 2130 2521 3228 SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)- 4749 7256 2413 1406 7403 2791 8468 3321 STACHYOSE (M+CL)- 11784 20000 8926 39019 25148 1826 10295 97482 20827 4808 3943 2553 2082 2231 2791 31857 5423 3002 1580 3053 8276 37613 3316 2052 4131 3120 4802 1271 5087 3714 STEARIC ACID (M-H)- 2008754 1526696 1348369 1496733 2496377 1554642 1785633 1104378 1022981 850623 1547496 720086 636997 724687 1188345 1159036 1504379 824290 807263 1261520 754491 984893 893832 1193846 1213166 1002262 1845917 1430077 1075941 1221212 828183 2371351 811515 SUBERIC ACID (M-H)- 5102 SUCCINIC ACID (M-H)- 272756 496986 565088 580377 669581 616020 430475 471840 473515 968338 411620 1253866 543886 532808 455073 137079 663923 98225 667568 356303 490807 518699 564370 691176 1392738 1607074 422805 727986 547216 447855 1844467 184503 659740 SUCROSE (M+CL)- 145638 39735 53598 525026 91004 132449 315205 354859 116981 178949 953001 111525 211092 181074 62183 264249 126192 274078 118570 77190 55473 205158 169451 127058 71697 221868 109533 83276 102072 2846 189425 20927 TAURINE (M-H)- 8920 7549 10454 8810 6782 6487 4235 3484 7830 26487 3829 9285 61219 10457 12470 3051 6731 4584 TAUROLITHOCHOLIC ACID (M-H)- 115509 115089 135935 248138 62259 157174 220644 52483 170375 123211 99703 63703 76624 150233 69092 75560 113171 117085 544344 539563 147983 160286 114097 116658 80457 266839 332946 48916 308859 12690 TEREPHTHALIC ACID (M-H)- 8916 236957 138835 147092 4871 221479 457316 55699 12592 THYMIDINE (M+CL)- 32760 40796 45790 47985 72851 72637 27134 31182 49096 32224 51257 48279 37013 21398 56012 106507 51045 24152 32267 35595 38548 63215 64212 86345 32049 52619 35666 45024 65187 56698 49660 THYMIDINE (M-H)- 13996 23887 22950 29313 26009 23607 15767 17083 10589 13148 16381 9946 14492 6514 13844 21732 12941 15768 7890 13268 15054 22552 21790 10520 11743 8464 10616 16158 12130 14388 TRANS-ACONITIC ACID (M-H)- 93366 429400 324927 379330 272938 773621 405633 158076 50286 18864 14489 76293 87270 9345 14067 110750 91886 108095 62267 32634 281685 TRICARBALLYLIC ACID (M-H)- 18125 17775 7844 41729 11512 22819 2474 21255 TRICARBALLYLIC ACID (M-H)-[-H2O] 41765 14364 4572 4551 2104 5742 100421 46936 TRICOSANOIC ACID (M-H)- 13089 7893 8535 9756 9964 3136 12907 8974 5833 13864 20660 4647 4157 10113 8741 1969 16619 3396 4680 9027 9476 7439 8092 7291 11404 10344 26228 8801 5705 6421 6517 20832 5721 TRIDECANOIC ACID (M-H)- 12972 9767 12823 28379 38874 5191 13812 28289 10229 7739 18540 4672 4878 20791 19551 10747 22764 4372 16415 9810 11304 18110 25775 51367 15293 6298 8282 17574 22697 20550 15496 32972 16392 TRYPTOPHAN (2M-H)- 1473675 1313599 1412936 1612972 1117710 796137 213843 715517 TRYPTOPHAN (M-H)- 5358763 7813812 7467598 7693827 8192467 4758512 6873108 5221055 2909943 3794086 5250562 3515876 2249568 2124305 3880592 2041128 4875728 1083249 3519213 3222863 3548139 2831317 3271310 3913905 2820002 4887453 3427922 3933351 2234448 2637286 2690218 4661481 2852582 TYROSINE (M-H)- 451127 744423 706741 774223 809067 540408 1069827 1116360 635579 801738 1207791 656754 527085 542037 656262 522519 753508 98825 387268 667826 451409 730789 202675 677990 530305 857498 821084 1326993 430184 472393 631092 622172 726032 UDP-GLUCOSE (M-H)- 36541 UDP-N-ACETYL-D-GLUCOSAMINE (M-H)- 12115 UNK_102.0317@0.924 44462 56427 71069 74229 68123 47034 66213 52802 42967 43582 15780 15284 42376 26196 60030 14642 75283 59844 102303 16393 21450 57083 61998 32082 64412 28303 6217 38094 14971 UNK_102.0321@0.716 39674 12726 65859 16794 18783 10843 67126 15195 43122 69533 38564 81831 46986 33625 59243 38142 23815 44153 78628 82462 45644 34399 71552 32646 60978 57290 102259 52768 72552 83636 21805 15979 UNK_103.9642@0.575 126492 130533 91295 124412 110583 118056 147903 128824 127197 147324 140875 144248 132543 126424 10066 133819 143535 124754 138765 147338 126910 140687 137904 140814 135970 140992 117916 142583 UNK_104.0474@1.367 249737 120181 36344 UNK_104.0479@1.539 628028 502374 354254 683795 114987 343662 170142 262930 656631 565464 711857 223758 163879 543623 418894 461510 23149 354474 153331 273909 376138 252260 127430 678670 842647 474348 811537 134503 175421 530527 112824 428608 UNK_106.0272@0.705 54090 23277 34523 42848 17121 23107 22163 25131 129744 123293 94203 81614 51387 91094 87715 62989 59368 52179 42303 68434 26132 75944 71429 16775 34103 51591 89784 49911 21056 86475 192823 19790 UNK_112.0166@1.049 124395 93897 112900 116209 164190 188340 145639 109723 16437 4235 30024 13290 18507 11907 22251 27344 5863 13537 41653 7147 46996 16726 17440 7161 20069 3055 22274 29757 UNK_115.9964@0.532 27333 37890 31930 28345 30766 33680 12408 15136 16228 11561 18223 12853 12367 14441 16139 16153 15022 10208 17973 14156 13025 14484 11312 12352 7782 UNK_117.9356@22.961 76256 75773 39606 60856 70124 7873 67241 23945 21056 45409 7560 49606 20049 35906 31337 6839 24328 22099 3307 23602 16251 28248 6628 6613 38576 UNK_117.9357@22.761 89233 75461 63354 47265 45202 14543 65743 19429 14276 35941 7380 14453 72283 28315 9861 5435 10628 22048 26740 11147 22351 39048 17883 9749 13286 35694 UNK_118.0262@1.153 201370 528499 608164 717427 813415 695957 342627 329810 194317 217864 669733 207345 41446 460616 278493 208566 249145 303578 434529 708374 1068390 148763 478071 224076 794088 114818 338440 UNK_118.0626@2.590 41703 61555 26962 24101 68120 148985 74664 71979 83644 83833 133164 102822 88215 39548 82868 76043 150336 279248 135512 73700 98261 68440 108537 99061 205919 82305 107282 52883 66547 58081 92696 160552 UNK_118.0629@3.082 46466 102490 92480 76411 83447 100280 387056 128739 127621 176119 214113 173830 104426 95670 199173 130274 187150 165703 259971 191952 141638 124426 233760 331804 283398 186616 185034 85002 108853 236763 197109 110321 UNK_118.063@3.609 279029 564618 251905 528408 1083256 262113 469104 366934 1095494 1087799 424662 878445 342278 196554 468486 130392 1638578 37820 1060617 1919637 281092 617735 318183 407328 473731 951159 499752 869284 211654 257883 291725 575488 632311 UNK_1219.5837@8.547 41259 2845 2367 2434 36516 16746 28682 8789 13092 7909 7886 76780 6553 11642 18662 314133 30733 UNK_122.0036@21.863 55603 15351 17437 15983 23865 62305 98616 63162 86911 29476 44137 63929 39891 169127 69279 48098 63787 59321 72079 34690 62704 43916 62059 39787 59615 45187 50069 21864 79133 UNK_129.0429@0.904 1110254 428171 1193263 923989 770067 1013666 1654123 908119 6658 59722 461386 921970 116359 765214 665000 774736 72795 1273512 1332178 695746 816645 1056304 844726 1154886 542624 1047626 1101443 262800 184430 41031 1846114 196651 UNK_130.0992@15.214 176771 189807 55681 19834 26899 7156 6835 1294 5495 9730 9622 15490 UNK_132.042@2.649 30454 13880 31801 81230 30816 22005 67748 75479 52051 93508 62343 42165 52712 29558 67976 71647 95570 100242 71624 45838 189159 84335 125403 49340 127277 49757 62406 59344 72615 87772 UNK_132.0781@4.717 30385 65133 45236 24602 12658 61747 35715 39405 10176 6370 30693 29158 17802 186492 12868 8189 8858 11060 9077 18148 28673 32989 19517 9435 11662 UNK_132.0783@6.313 95839 105514 81994 85411 386125 93765 186647 73277 49591 65295 68289 61646 48611 47163 87936 28327 236245 131422 297814 34361 67559 45340 33739 71518 122000 43085 57840 17123 18063 32149 80865 59478 UNK_132.0784@6.551 148420 241223 168972 241355 468851 205937 307857 163476 70646 107112 119008 129233 77127 89153 166120 40796 305358 3797 123714 244247 66070 115204 62604 76863 123652 178912 69382 122439 26806 31165 59441 126551 100511 UNK_132.0785@5.656 330280 521468 332266 681340 629643 232383 388841 470566 108760 129172 290257 245653 66976 88599 91833 154255 231625 126756 145523 140257 72082 42230 161085 238629 480579 231070 213655 141460 166401 204313 101179 263258 UNK_1332.5833@11.355 78093 2081 9517 15015 10403 73921 44942 70202 2168 122897 2162 1158 10513 55102 8588 87635 2401 1239 145859 17494 35677 11149 275600 5727 UNK_134.0216@0.767 221909 297016 393047 392844 405733 422589 389485 396633 171238 412450 345597 590470 319828 314776 45297 575159 280489 536455 245302 333387 436815 557144 252260 459927 45837 64732 84508 413819 UNK_134.0571@1.020 105512 5485 18656 30427 36455 97577 496967 73955 82256 90887 96269 83630 94008 53518 81019 75805 71988 94530 156055 56175 93261 62635 55735 12101 100848 93086 110469 34233 59402 4892 27949 57875 UNK_135.0679@4.920 47574 112027 89536 60625 68052 162675 53974 72611 14939 13033 9616 20588 8448 8794 33848 17098 7500 17571 20165 3019 38939 22270 12353 11879 9178 9425 25699 UNK_137.9986@2.893 7862 73495 16163 44966 44030 74870 90231 53812 107063 28943 30088 248376 89761 96190 79520 72062 71894 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UNK_949.5999@25.245 19139 15170 10915 19831 13038 13993 11672 14245 15099 6844 8431 10660 14018 19186 14843 15816 8783 13745 9326 15162 16298 32410 13463 19051 13086 7585 10349 14463 15171 3133 UNK_950.5124@23.763 12021 11379 10513 10579 12866 13804 9708 9594 11322 9031 11946 7607 6598 7672 8042 8663 5597 4628 6698 9526 7083 3486 9805 5045 2830 11822 UNK_951.5009@18.583 24707 6249 121688 2047 64823 45852 19525 40791 31208 3982 119960 26720 8717 5857 2150 28843 92408 7861 58507 72040 12779 UNK_951.5042@24.017 33677 17676 30230 36776 34299 16289 19167 19657 27240 29048 30805 40914 17517 29412 15971 9426 22569 25080 31561 UNK_951.6148@26.027 39236 29833 17940 26636 10550 23140 28510 26480 11073 11038 11208 10243 15212 40649 15424 17301 10898 12046 11059 9743 9281 6670 8384 34264 11974 12550 6599 5477 5388 20995 18495 UNK_952.528@24.082 10662 11010 15491 14590 13169 13460 12690 19051 15212 19807 21696 16300 16337 14418 10244 12002 17005 10799 14370 3605 14525 9457 21990 11001 11118 UNK_952.6675@22.769 40164 31436 35211 22163 18229 14769 27927 15856 14297 20997 8513 6947 11303 16524 41262 24156 6242 9910 15619 19807 19770 15640 18858 17685 UNK_952.7015@22.963 39949 35887 29077 32109 39389 18838 39202 23624 20873 13324 33874 12982 7630 13253 20768 31866 29438 9056 14997 14423 13132 15542 26449 26291 13264 25858 20312 29217 21404 23514 16588 39337 UNK_953.5549@24.781 2866 3696 5728 12824 2430 3667 2442 11899 10136 8013 16266 11992 4812 8339 9015 16401 8556 8580 11053 9654 11451 8784 9937 7191 8692 14649 13021 4229 11934 UNK_954.572@22.170 19981 23564 35531 23439 61753 17367 35333 38058 18653 14877 50245 15461 10587 14661 14181 12042 42094 7440 9826 19851 18568 13470 21438 4601 33301 28003 34033 4097 2954 8783 34643 UNK_955.5061@24.003 24181 26206 22671 20402 9673 20992 19994 20213 9106 9042 12609 19576 8201 27028 20107 15536 10255 11453 13343 2903 17699 10041 11482 18434 10905 13513 17201 UNK_955.6447@27.443 19492 5397 6506 8825 5550 6976 43790 15361 15447 26321 55636 29651 12490 15015 16145 14826 36309 11450 13856 14929 13274 5716 13351 18624 29347 24104 17340 12379 12974 13792 27451 15098 UNK_956.5449@22.325 8880 24843 14967 6818 5161 10477 5091 49846 5315 23832 51929 238307 95059 2691 14366 37880 342387 24719 132837 2508 54136 42236 7594 69333 6647 UNK_957.5259@24.289 15487 13056 18358 18555 16314 17890 19519 18387 16746 26848 14608 17340 23718 19842 21593 15423 22271 4008 21060 27933 29300 17284 17461 25376 23421 21628 17516 22376 27575 25429 24645 14926 25457 UNK_957.6582@22.891 4220 UNK_957.6623@22.774 21911 29692 11404 4727 5475 14693 3282 3674 6279 3335 6934 11122 19033 5075 3309 5135 5713 8113 26215 6047 8311 9515 5615 UNK_958.6029@22.039 13514 26873 16558 9908 34277 12204 21702 20632 14817 14357 23467 19189 7626 6463 8009 9607 15828 12359 9598 10796 13136 10046 12127 16455 15075 12102 9297 11792 6866 11588 UNK_958.6115@22.453 8356 11832 11086 11937 45256 16281 32028 25175 18817 12564 33489 11214 8567 8143 8670 8979 29971 9008 6629 12637 12728 14410 7001 6914 18589 15675 23184 2457 5322 36131 UNK_958.614@26.491 39994 11579 14571 11353 27344 32973 40772 41968 50482 33688 36145 34647 34601 28311 37913 5725 39817 31876 34701 36764 39693 41912 44096 36423 31763 31760 42277 41646 32003 28692 42351 UNK_958.7175@22.962 50464 40711 41795 45057 59401 25095 58203 33922 33321 13421 47839 18799 13381 20053 32608 44639 43606 15059 22455 12328 23019 17435 40048 39472 37488 28877 39783 16673 15502 13072 42575 11746 UNK_958.7433@23.235 18721 11066 9859 11387 12827 9099 14564 7812 9457 3423 17577 5556 3845 4944 12999 13338 10234 5431 7039 3125 5998 5631 10663 10073 7867 7075 9946 4607 4811 3305 16579 3132 UNK_959.5069@23.786 16466 28902 23280 7648 16477 9088 17577 8349 5280 28374 5405 UNK_961.5258@24.005 60284 59167 71693 54467 31798 70902 61507 66275 29403 23917 19273 17315 38825 54163 28938 68372 29932 41474 34320 37619 24826 14353 54107 22299 35014 44350 23956 13282 18339 47118 42776 6169 UNK_961.5665@22.521 2876 8341 1363 2668 3417 3730 9581 6471 1967 5635 1854 2008 4385 9071 4712 2708 6333 3261 6130 3594 5568 2838 6070 2746 3347 4493 UNK_962.5967@22.673 124524 34173 14040 34765 86478 138468 17985 118069 115782 87729 125240 3385 17016 26219 86547 134218 98542 38196 44477 94595 UNK_963.5155@21.900 2886 10788 7961 5707 2076 1271 10493 2199 8175 11707 4496 2475 6814 7770 8198 4697 7604 9168 12163 3029 9826 9675 UNK_963.5418@24.296 28607 23352 39743 36588 31454 31814 34685 35178 6481 53479 37728 8373 41190 48335 9680 31390 42814 17168 47249 60317 62017 7615 44893 48987 12820 41189 29310 6546 41605 9149 48298 25039 15722 UNK_964.6112@22.672 286415 381544 327173 42413 36298 24776 75746 300747 257981 377988 24225 31215 310850 310751 109074 169619 49773 UNK_964.6276@22.872 2434 3808 UNK_964.7642@23.235 19256 12609 10807 12610 13772 10528 17203 8974 11466 16830 6233 4091 5573 14726 14547 11185 5407 8892 5049 8447 5351 10129 11325 4837 10480 8085 11417 2867 15667 UNK_965.5497@25.002 17046 13855 10899 12801 10506 14878 8592 15094 11342 12504 6746 7795 16848 13509 10390 16391 3487 10075 10298 11250 14085 9111 11246 9893 11073 9350 5371 6572 12215 8883 4520 UNK_965.5541@24.639 27941 7897 26603 30516 21102 28872 27506 13272 22005 20117 16749 21371 31236 50522 16505 35225 19294 80099 31898 17997 29091 28397 26992 16332 21867 10943 36864 13618 32352 6389 11072 UNK_967.5526@24.046 8056 4821 1263 3406 7231 6321 5723 3007 4005 3439 3511 2637 3062 2710 2586 2400 3107 2939 5860 UNK_967.5693@25.249 40363 54549 59314 62873 58816 42049 33712 36895 58192 38970 42678 40534 49292 43974 43758 39849 52991 131540 43159 43640 35833 50380 33031 27654 42124 41385 30063 33579 58089 65468 40914 13337 57277 UNK_967.5733@25.018 6128 7358 8619 4873 6865 5935 7426 3294 5724 7092 4393 6890 7948 4340 5113 6499 5956 7076 10678 5627 6080 8399 6763 8377 6344 6061 4976 9276 7698 10343 4032 12016 UNK_968.5844@21.893 19118 24237 22857 12462 6254 17607 16779 22981 5251 5252 5402 5305 3897 4338 8507 14354 18455 9543 8042 16242 7873 8786 9686 30487 3633 3236 2566 20853 25954 UNK_968.6262@22.880 3922 UNK_968.642@26.489 38757 5694 9663 13796 3937 11973 24410 27949 40110 40992 46982 28806 34356 36117 44117 25043 30450 5411 35065 37148 30261 41948 43109 37712 53706 33064 42667 32671 39898 41859 43506 31862 45002 UNK_968.6507@22.739 25490 30420 31940 5409 17519 22121 13007 14162 20617 20807 24323 21789 25649 17111 22708 29491 13426 27850 21931 23570 26534 26502 UNK_969.5849@25.759 77767 64567 55640 84672 108569 78726 38401 86740 75135 91474 9071 59761 59729 53284 97371 68645 11978 60407 82013 96132 52831 76703 83900 44456 90061 10993 92359 6092 9711 7090 83907 66046 18417 UNK_971.6562@22.737 6930 5449 9280 11059 11979 8543 5608 8948 5806 6157 7230 4334 4626 5424 8726 4833 6910 4725 8147 5376 6844 5408 8578 9334 4598 7585 9739 8249 5958 11464 9553 UNK_972.6193@22.183 73018 97895 89091 76764 148258 89203 100583 99234 76263 64013 113035 72100 54951 51215 55700 51717 101597 5999 61060 56164 67605 69893 64520 77673 29018 101474 80869 92556 30855 35467 44239 95647 23655 UNK_972.6711@26.689 15284 2715 14581 6818 9900 2185 13307 3870 27605 4773 31600 16463 9285 13982 23710 1869 71910 34348 18778 5547 26231 43035 20751 5861 35776 6306 6147 31157 UNK_973.4833@18.583 59657 6631 2972 183009 143300 118853 59075 110497 94665 3356 15737 157385 79421 27029 19211 6403 80259 139589 32158 139876 162745 1646 41879 UNK_974.6342@22.343 20543 28977 19499 22746 56511 25678 35291 27165 37447 19296 41143 26782 16380 18302 16539 13440 47241 5193 27121 14938 19400 25242 31299 24911 31334 18960 39995 9945 12620 10691 39792 9416 UNK_974.7246@23.236 12436 7514 6622 8081 9306 6118 10124 7586 3244 11265 3206 3569 10229 8749 8104 5218 6132 5553 5187 4757 6765 6644 4993 7238 5915 8611 5181 4874 4323 10763 UNK_975.7017@22.604 23020 32906 20880 22879 47818 34654 9252 2370 5353 2320 3591 4598 8481 6079 18196 8528 11174 6681 8025 5224 11899 11641 UNK_976.6467@22.529 13025 12139 22051 8118 8385 2634 11322 9147 6491 5708 6469 11370 10765 6977 9216 5557 6388 7888 6418 14179 7481 5333 9435 UNK_976.7178@22.899 6129 12682 4980 5269 7632 10240 9819 4048 4940 5869 3344 2785 1327 3503 2699 3400 9243 2617 3146 4492 4537 2051 8799 7033 6797 5176 UNK_977.5917@25.656 18415 15452 16171 13567 16955 13633 12385 8116 8072 5851 6799 9538 11041 8248 9683 6669 7980 10505 9721 6368 7377 8413 6057 5335 6400 6766 6007 10481 9049 2747 UNK_977.6871@22.754 17190 26951 12224 13385 11405 15435 16592 10388 7416 8731 9936 4176 4148 6440 9984 17405 12552 3861 9448 9813 9427 11333 7946 11638 9314 16507 9082 11944 12271 6476 13090 1673 UNK_978.5701@22.099 15461 15534 4990 23994 14663 14313 24439 6286 5982 9971 9654 5153 9710 3246 10934 3766 6430 4342 5745 4222 6405 10598 3822 6130 6467 5539 6572 4150 4645 3384 9109 UNK_981.5234@24.162 5837 5290 6256 6394 5815 6075 4882 5297 4942 2358 5279 5648 6407 6767 6598 4464 5782 6173 4042 6321 3354 6399 6091 4650 4416 4915 3521 3082 3431 13630 UNK_981.5874@25.602 15330 21378 19528 15897 17248 21763 18658 16739 10448 23033 12912 14423 14287 21081 11444 19523 16684 3169 13303 20088 14985 15277 16745 12931 20390 12051 19585 11704 19820 19935 23422 12663 17753 UNK_981.6754@22.757 7909 9509 11359 11181 4472 15983 8080 5769 3152 10984 3691 5338 8019 9762 12295 7559 10109 5653 8628 10245 10463 8287 14607 10994 8511 5232 13768 UNK_982.6555@27.173 14627 2078 3873 14738 12603 26670 31854 30628 27162 17819 25640 30003 20699 22451 2408 28304 25075 25963 30036 42979 33746 38719 20786 37476 20109 16973 17215 27851 24132 25597 UNK_983.7107@22.869 14578 31936 10709 9373 1862 22599 17302 4443 1358 2768 4057 4594 2660 2883 5109 1133 6236 2220 3859 1257 1851 4232 1107 3775 1776 3629 1397 4501 2565 UNK_983.7561@24.197 51097 88292 8866 11408 29063 17708 51818 46852 54895 34099 13981 36374 84503 45184 27843 39645 24165 55823 26612 45637 28666 80865 24589 53772 21491 18010 21349 38647 UNK_984.6192@26.630 33265 3743 10577 9600 3628 6836 19720 20473 52909 33112 37855 46789 22210 24821 47631 28237 30686 6559 41994 25082 31330 59847 55689 50492 30743 29884 37887 34162 50510 50502 34047 53786 56629 UNK_985.5246@23.944 13953 11904 10647 12118 10269 15566 11873 14184 14529 7093 8670 8946 7501 8872 10300 8678 2820 7579 10811 11647 7156 5067 6526 6940 8121 6749 10637 UNK_987.5413@24.343 11686 6615 9534 15825 20615 10277 11914 10851 22827 15719 18159 23902 22681 18096 23004 7916 15240 16109 13264 17763 18679 29793 17455 12019 15120 7706 19629 18025 16941 8816 8186 6995 UNK_987.5415@24.157 12138 9993 13537 14132 10714 11291 12251 12481 11933 12169 11621 13212 17638 17608 16724 11924 11504 4351 14269 9750 16340 9801 14472 14366 8813 12855 10377 13000 11701 11967 10484 8247 4909 UNK_988.6516@22.472 18884 31502 20618 11508 23809 38187 26972 30785 15443 16332 21978 15046 11646 16311 3638 24776 18298 16218 7404 19741 22915 12336 29857 20676 30686 18261 6710 9462 60486 UNK_988.6569@22.664 29592 14659 17778 12552 19691 7963 12378 7781 4891 4616 7845 6935 10314 8720 5323 5413 UNK_988.6878@22.995 4754 UNK_988.6907@22.844 3141 5326 19055 10094 7967 9133 12121 7104 5632 10111 7628 32526 5390 7787 6594 10321 6355 21857 3487 8150 21939 8512 10446 4491 12973 76756 UNK_991.6829@22.767 20026 11095 15930 15992 16154 5711 9691 10092 3775 3161 4958 7267 12575 5431 5930 10091 6558 10310 6547 8325 10123 7733 15790 6848 14861 13244 10149 9211 5411 UNK_992.5868@21.882 66209 167229 128180 32996 6174 64411 74432 162119 2868 12204 4234 14245 31956 5616 83911 9026 10100 21294 12488 10435 2709 17401 5332 14780 68788 3727 30459 32987 UNK_992.6456@25.835 9996 7095 2783 5591 7289 7671 6359 5827 7553 6311 8378 7826 12421 5149 9309 7897 8699 15970 9982 7658 11124 4671 12430 5896 7369 8091 10340 13532 6483 UNK_993.5853@25.561 82252 87607 81741 77633 14622 5307 75572 41844 61243 93605 77761 73349 14358 85270 77283 UNK_993.5873@25.482 90601 UNK_994.657@26.630 46316 4042 14224 9404 5039 7211 22360 18952 74217 44590 55633 58904 27192 22926 48272 41558 39461 6811 50206 44462 74634 67399 60044 57083 46934 56731 56324 60421 60187 40494 69319 67415 UNK_995.6028@26.006 76787 55653 57676 64899 45052 65830 78080 76103 67530 67235 83160 63175 51272 57762 68322 66315 70712 7762 61794 64926 62346 54543 56832 74976 62446 73522 80523 73206 57626 60579 61207 79283 60664 UNK_995.7167@22.967 18687 16988 15455 15756 20558 11970 20219 14639 12047 20852 17479 7586 5766 9002 11169 16098 13944 11378 9330 22078 9375 20202 14034 13795 15629 14365 25211 14778 27660 27169 19695 18939 8525 UNK_996.617@22.035 35098 58487 54154 33558 116280 44806 67978 66008 35988 41185 77675 40044 23513 23731 19597 32516 64849 30061 30843 22357 37143 30456 31632 37312 14379 55496 49114 51891 14811 14951 21320 55689 57946 UNK_996.6192@22.166 200351 241058 290652 211280 370676 209953 291522 289156 198126 202356 333838 200267 157442 150645 138406 180255 311710 30534 163271 140132 215024 185853 175593 219917 78196 289509 251547 272827 87698 93209 136648 299786 57946 UNK_996.6669@20.024 409334 374279 388669 372239 375070 403887 474604 249376 278644 319835 306181 316711 93629 107299 342425 326210 288134 345078 328153 302417 318092 321030 325746 317585 312037 310694 312970 318140 315985 302392 326217 323274 320248 UNK_996.6676@19.683 18180 16663 18871 18889 17746 18751 25935 10596 10435 10575 12104 12303 2653 3647 12307 11756 10233 12474 11629 7969 9849 9981 10550 11226 8743 10709 9083 10282 9772 9216 9220 13453 8354 UNK_996.6708@27.971 21836 2824 2121 1185 15036 13804 43321 37836 42169 34730 23137 28156 42546 24431 19400 37351 29126 33330 51821 61376 37045 55363 27519 42812 30747 43017 45859 40096 33414 42574 UNK_998.6336@22.353 22185 25457 22394 16203 40025 27913 27121 26416 17674 10199 29564 13286 14272 11608 15757 14510 23544 19681 10438 15227 21193 17214 22133 7460 23005 24945 25008 3324 4949 10301 28725 URACIL 5-CARBOXYLIC ACID (M-H)- 2220 URIC ACID (M-H)- 209811 89391 117933 169805 112792 275392 362403 382663 291998 231620 927741 277705 121431 57446 130105 462926 403205 71324 233774 248076 520196 339539 40638 431860 URIDINE (M+CL)- 878144 1283000 1175172 1306970 1221079 772145 1191969 1355626 553033 955957 910749 1163969 818075 450140 825963 344098 667423 28544 1147598 698987 471966 898458 504563 1350419 1250556 1135620 560945 681384 457930 606741 1479730 1044619 618168 URIDINE (M-H)- 95733 157496 134196 192955 226817 91409 101132 105236 123657 135472 112904 160245 114621 117209 206446 79948 177345 19374 191304 111870 68143 180036 136447 149754 197282 89809 97352 100897 90428 122679 276068 152357 93338 URIDINE-5-MONOPHOSPHATE #2 (M-H)- 41021 47149 9296 20602 125370 65542 33907 25370 16748 3421 2246 3113 18891 9792 2860 11126 5970 6265 3377 5104 UROCANIC ACID (M-H)- 27148 8227 13561 59865 93773 28347 81215 14779 26316 52441 47920 122639 82270 8498 72171 49317 100463 10961 101030 32600 11362 6624 91345 VALINE (M-H)- 4473 28447 26602 26965 28451 21651 23778 15505 10868 34459 22387 4174 12410 6586 7669 4324 14578 7939 6151 18625 XANTHINE (M-H)- 960605 1112370 699217 751951 532467 428132 1139502 799557 737823 291982 623540 326085 211709 66111 285296 309267 1125571 32806 640591 1106539 374230 425505 406225 277166 974198 372674 174402 1052674 193117 423458 341811 1205185 323074 XANTHOSINE (M-H)- 9159 18555 10422 19196 15807 21904 26160 15487 10506 7137 9261 24016 19618 17182 3260 13473 34823 17339 10317 14451 49778 26130 22655 15859 53851 4793 5743 10623 8479 XANTHURENIC ACID (M-H)- 25609 7628 28555 18905 ZEATIN [ISTD] (M+CL)- 25800 7980 11292 4705 12228 103272 24354 27771 212197 118808 101442 121777 191102 227212 209000 200153 93245 232984 227572 78602 231830 186970 229283 186232 135790 149390 194165 153097 235532 217551 231087 223675 160728 ZEATIN [ISTD] (M-H)- 37268 28293 27465 20210 27651 58642 31408 33415 103680 70035 63038 68277 102229 116587 95337 99589 55460 131921 114811 57283 112761 89030 113215 90894 72919 75628 94975 78854 109921 106841 109860 107308 78413 metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 16:0 LYSO PC (M+CL)- 495.3339 22.286 460602 16:0-18:0 PC (M+CL)- 761.5946 25.544 18631368 17ALPHA-HYDROXYPROGESTERONE (M+CL)- 330.2145 17.864 6238 17ALPHA-HYDROXYPROGESTERONE (M+CL)-[-H2O] 330.221 17.634 6238 18:0 LYSO-PE (M-H)- 481.3185 22.649 9547068 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (M-H)- 307.0554 0.816 13945 2'-DEOXYINOSINE (M+CL)- 252.0872 2.121 65058 2'-DEOXYINOSINE (M-H)- 252.085 2.134 65058 2-DEOXY-D-GLUCOSE (M+CL)- 164.0687 0.683 439268 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- 118.0629 3.542 853180 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)- 150.0324 3.244 11427 2-HYDROXYBUTYRIC ACID (M-H)- 104.0472 1.763 11266 2-METHYLMALEIC ACID #2 (M-H)- 130.0265 2.253 643798 2-OXOADIPIC ACID (M-H)- 160.0369 1.297 71 20:0 LYSO PC (M+CL)- 551.3969 22.993 24779473 24:0 SM (D18:1/24:0) (M+CL)- 814.6937 27.963 44260127 3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)- 182.0575 3.845 440177 3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- 182.0575 3.845 440177 3-DEHYDROSHIKIMIC ACID (M-H)- 172.0387 0.96 439774 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- 162.0517 1.578 1662 3-HYDROXYBENZOIC ACID (M-H)- 138.0314 5.036 7420 3-HYDROXYKYNURENINE (M-H)- 224.0776 1.19 11811 3-HYDROXYPHENYLACETIC ACID (M-H)- 152.0472 9.189 12122 3-HYDROXYPYRUVIC ACID (M-H)- 104.011 0.801 964 3-METHOXYTYROSINE (M-H)- 211.0811 2.047 9307 3-METHYL-2-OXOPENTANOIC ACID (M-H)- 130.0631 4.47 440877 3-NITRO-L-TYROSINE (M-H)- 226.0617 2.866 65124 3-OXALOMALIC ACID (M-H)-[-H2O] 206.0085 0.687 439620 3-PHOSPHOGLYCERIC ACID (M-H)- 185.9905 0.665 439183 3-SULFINO-L-ALANINE (M-H)- 153.0102 0.632 109 3-UREIDOPROPIONIC ACID (M-H)- 132.0515 0.884 111 4-HYDROXYBENZOIC ACID (M-H)- 138.0312 4.162 135 4-HYDROXYPHENYLACETIC ACID (M-H)- 152.0468 4.794 127 4-METHYL-2-OXOPENTANOIC ACID (M-H)- 130.0631 4.88 70 4-NITROPHENYL PHOSPHATE (M-H)- 218.9892 2.465 378 4-PYRIDOXIC ACID (M-H)- 183.0522 1.909 6723 5'-METHYLTHIOADENOSINE (M+CL)- 297.0895 4.557 439176 5-AMINOPENTANOIC ACID (M-H)- 117.0776 0.735 138 5-HYDROXYINDOLEACETIC ACID (M-H)- 191.0603 4.179 1826 5-HYDROXYTRYPTOPHAN (M-H)- 220.0818 1.817 439280 5-OXOPROLINE (M-H)- 129.042 1.221 7405 ADENOSINE 5'-MONOPHOSPHATE (M-H)- 347.0626 0.945 6083 ADENOSINE 5'-PHOSPHOSULFATE (M-H)- 427.0234 0.781 10238 ADIPIC ACID (M-H)- 146.0577 3.653 196 ADP-RIBOSE (M-H)- 559.0721 0.68 33576 ALLANTOIN (M-H)- 158.0441 0.659 439714 ALLOPREGNANOLONE (M+CL)- 318.2592 20.878 92787 ALLOPREGNANOLONE (M+CL)-[-H2O] 318.2599 20.864 92787 ALPHA-KETO-GLUTARIC ACID (M-H)- 146.0216 0.922 51 ARACHIDIC ACID (M-H)- 312.3026 23.667 10467 ARACHIDONIC ACID (M-H)- 304.2409 22.743 444899 ASPARTIC ACID (M-H)- 133.0373 0.61 5960 AZELAIC ACID (M-H)- 188.1045 10.754 2266 BEHENIC ACID (M-H)- 340.3343 24.203 8215 BENZOIC ACID #2 (M-H)- 122.0368 8.317 243 BENZOIC ACID (M-H)- 122.0367 5.063 243 BIOTIN (M-H)- 244.0908 6.329 11966127 C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)- 643.492 23.239 46891735 CAPRYLIC ACID (M-H)- 144.1144 10.244 379 CHOLIC ACID (M-H)- 408.2862 20.406 221493 CIS-11-EICOSENOIC ACID (M-H)- 310.2877 23.313 5282768 CIS-ACONITIC ACID (M-H)- 174.0166 1.517 643757 CITRAMALIC ACID (M-H)- 148.0364 1.439 441696 CITRIC ACID (M-H)- 192.0269 1.048 311 CITRULLINE (M-H)- 175.0949 0.648 9750 CORTISOL 21-ACETIC ACID (M+CL)- 404.2252 15.748 5744 CREATINE (M-H)- 131.0687 0.66 586 CYSTATHIONINE (M-H)- 222.0664 0.701 439258 CYSTEIC ACID (M-H)- 187.012 0.684 72886 CYTIDINE 5'-DIPHOSPHOCHOLINE (M-H)- 488.1163 0.699 13804 D-GLUCOSAMINE (M+CL)- 179.0803 0.593 439213 D-GLUCOSAMINE 6-SULFATE (M-H)- 259.0325 0.666 3330962 D-GLUCOSE 6-PHOSPHATE (M-H)- 260.0267 0.673 5958 D-MANNOSAMINE (M-H)-[-H2O] 179.0795 0.696 3034366 DEHYDROASCORBIC ACID (M+CL)- 174.0156 0.876 440667 DEHYDROEPIANDROSTERONE SULFATE (M-H)- 368.1667 15.461 12594 DEOXYADENOSINE (M+CL)- 251.1024 1.833 13730 DEOXYCHOLIC ACID (2M-H)- 392.2915 21.783 222528 DEOXYCHOLIC ACID (M+CL)- 392.2938 21.792 222528 DEOXYCHOLIC ACID (M-H)- 392.2926 21.8 222528 DEOXYURIDINE (M+CL)- 228.075 1.63 13712 DEOXYURIDINE (M-H)- 228.075 1.729 13712 DEPHOSPHO-COA (M-H)- 687.157 3.604 444485 DGDP (M-H)- 427.0376 1.346 439220 DIHYDROXYFUMARIC ACID (M-H)- 147.9993 0.679 54678503 DOCOSAHEXAENOIC ACID (M-H)- 328.2409 22.73 445580 DUMP (M-H)- 308.0402 0.971 65063 EPIBRASSINOLIDE [ISTD] (M+CL)- 480.3461 20.025 115196 ERUCIC ACID (M-H)- 338.3183 23.738 5281116 ETHYLMALONIC ACID (M-H)- 132.042 2.731 11756 FERULATE #2 (M-H)- 194.0567 8.085 445858 FLAVIN ADENINE DINUCLEOTIDE (M-H)- 785.1574 6.343 643975 FUMARIC ACID (M-H)- 116.0103 1.264 444972 GAMMA-L-GLUTAMYL-L-CYSTEINE (M-H)- 250.0614 0.976 123938 GERANYLGERANYL DIPHOSPHATE (M-H)- 450.1873 23.299 447277 GLUCARIC ACID (M-H)- 210.0383 0.766 33037 GLUCONIC ACID (M-H)- 196.0566 0.68 10690 GLUCOSE (M+CL)- 180.0635 0.643 5793 GLUCURONIC ACID (M-H)- 194.0422 0.617 94715 GLUTAMIC ACID (M-H)- 147.0543 0.66 33032 GLUTAMINE (M-H)- 146.0689 0.61 5961 GLUTARIC ACID (M-H)- 132.042 2.105 743 GLUTATHIONE (OXIDIZED) (M-H)- 612.1512 1.403 65359 GLYCERIC ACID (M-H)- 106.0267 0.834 439194 GLYCEROL 2-PHOSPHATE (M-H)- 172.0133 0.834 2526 GLYCEROL MYRISTATE (M+CL)- 302.245 22.113 79050 GLYCINE (M-H)- 75.0327 0.706 750 GUANIDINOACETIC ACID (M-H)- 117.055 0.737 763 GUANINE (M-H)- 151.0485 0.829 764 GUANOSINE (M+CL)- 283.0941 1.864 6802 GUANOSINE (M-H)- 283.0912 1.873 6802 GUANOSINE 5'-PHOSPHATE (M-H)- 363.0618 0.997 6804 HEPTADECANOIC ACID (M-H)- 270.2558 23.048 10465 HIPPURIC ACID (M-H)- 179.0581 4.924 464 HOMOCYSTINE (M-H)- 268.0532 0.719 10010 HOMOGENTISIC ACID (M-H)- 168.0427 2.305 780 HOMOVANILLIC ACID (2M-H)- 182.0582 5.854 1738 HOMOVANILLIC ACID (M-H)- 182.0558 5.874 1738 HYODEOXYCHOLIC ACID (M-H)- 392.2953 22.857 5283820 HYPOXANTHINE (M-H)- 136.0377 1.102 790 INDICAN (2M+CL)-[-H2O] 295.1071 0.706 441564 INOSINE (M+CL)- 268.0808 1.875 6021 INOSINE (M-H)- 268.0809 1.875 6021 INOSINE 5'-DIPHOSPHATE (M-H)- 428.0171 0.738 6831 INOSINE 5'-PHOSPHATE (M-H)- 348.0491 0.962 8582 ISOCITRIC ACID (M-H)- 192.027 0.746 5318532 ISOLEUCINE (M-H)- 131.094 1.566 6306 ITACONIC ACID (M-H)- 130.0264 1.884 811 KYNURENIC ACID (M-H)- 189.041 5.033 3845 KYNURENINE (M-H)- 208.082 2.236 161166 L-ARGININE (M-H)- 174.1112 0.606 6322 L-CARNITINE (M+CL)- 161.1035 0.636 10917 L-FUCOSE 1-PHOSPHATE (M-H)- 244.0315 0.782 439871 L-HISTIDINE (M-H)- 155.069 0.601 6274 L-METHIONINE SULFOXIMINE (M-H)- 180.0604 0.681 89034 L-TRYPTOPHAN-15N2 [ISTD] (M-H)- 206.0841 3.68 16217285 L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- 138.0445 5.463 227 LANTHIONINE (M-H)- 208.0553 0.684 102950 LAURIC ACID (M-H)- 200.1775 21.84 3893 LEUKOTRIENE B4 (M-H)- 336.23 20.678 5280492 LIGNOCERIC ACID (M-H)- 368.3655 24.919 11197 LINOLEIC ACID (M-H)- 280.2406 22.757 5280450 LYSINE (M-H)- 146.1048 0.563 5962 M-HYDROXYMANDELIC ACID (2M-H)- 168.0403 2.044 86957 MALEIC ACID (M-H)- 116.0108 1.016 444266 MALIC ACID (M-H)+[-H2O] 134.0226 0.937 222656 MALIC ACID (M-H)- 134.0217 0.826 222656 MANNITOL (M-H)- 182.077 0.612 6251 METHIONINE (M-H)- 149.0493 0.99 6137 METHYL BETA-D-GALACTOSIDE (M+CL)- 194.0783 0.756 94214 METHYL VANILLATE (M-H)- 182.0579 9.627 19844 METHYLMALONIC ACID (M-H)- 118.0265 1.541 487 MEVALONIC ACID (M-H)- 148.0725 1.622 439230 MYRISTIC ACID (M-H)- 228.2088 22.495 11005 MYRISTOLEIC ACID (M-H)- 226.1928 22.163 5281119 N-ACETYL-ASPARTIC ACID (M-H)- 175.0479 0.994 65065 N-ACETYL-D-GLUCOSAMINE (M+CL)- 221.0903 0.675 446101 N-ACETYL-L-ALANINE (M-H)- 131.0573 1.481 88064 N-ACETYL-L-PHENYLALANINE (M-H)- 207.0888 7.855 74839 N-ACETYLGLYCINE (M-H)- 117.0422 0.925 1097 N-ACETYLNEURAMINIC ACID (M-H)- 309.1043 0.681 444885 N-AMIDINO-ASPARTIC ACID (M+CL)+[-H2O] 175.0628 0.751 439918 N-AMIDINO-ASPARTIC ACID (M-H)- 175.056 0.642 439918 N-NITROSODIETHANOLAMINE (M+CL)- 134.0709 1.084 14223 N-OLEOYLGLYCINE (M-H)- 339.2762 22.578 6436908 NAD (M-H)- 663.1044 1.009 5893 NERVONIC ACID (M-H)- 366.3499 24.282 5281120 NICOTINIC ACID MONONUCLEOTIDE (M-H)- 335.0467 0.69 4484 O-PHOSPHO-SERINE (2M-H)+ 185.0056 0.757 68841 O-SUCCINYL-L-HOMOSERINE (M-H)- 219.0728 0.903 439406 OLEIC ACID (M-H)- 282.2564 22.963 445639 OLEOYL-GLYCEROL (M+CL)- 356.2992 22.749 5319879 OMEGA-HYDROXYDODECANOIC ACID (M-H)- 216.1715 17.04 79034 OPHTHALMIC ACID (M-H)- 289.1262 1.245 7018721 ORNITHINE (M-H)- 132.0892 0.599 6262 OROTIC ACID (M-H)- 156.0166 0.706 967 OXALIC ACID (M-H)- 89.9959 0.703 971 OXALOACETIC ACID (M-H)-[-H2O] 132.0035 0.561 970 OXOMALONIC ACID (M-H)- 117.9886 0.671 10132 PALMITIC ACID (M-H)- 256.2406 22.882 985 PALMITOLEIC ACID (M-H)- 254.2246 22.636 445638 PANTOTHENIC ACID (M+CL)- 219.1104 3.383 6613 PANTOTHENIC ACID (M-H)- 219.1104 3.376 6613 PHENYLALANINE (M-H)- 165.0786 2.568 6140 PHENYLPYRUVIC ACID (M-H)- 164.0469 5.514 997 PHTHALIC ACID (M-H)- 166.0272 4.947 1017 PHYTANIC ACID (M-H)- 312.299 23.321 10380830 PICOLINIC ACID (M-H)- 123.0306 0.804 1018 PIMELIC ACID (M-H)- 160.073 5.714 385 PINITOL (M+CL)- 194.0789 0.675 164619 PIPECOLIC ACID (M-H)- 129.0768 0.793 849 PROPENOIC ACID (M-H)- 72.0216 1.261 6581 PROSTAGLANDIN E2 (M-H)- 352.2243 16.74 5280360 PROSTAGLANDIN E2 (M-H)-[-H2O] 352.2238 16.73 5280360 PTERIN (M-H)- 163.0503 1.575 73000 PURINE (M-H)- 120.0429 1.391 1044 PYRROLE-2-CARBOXYLIC ACID (M-H)- 111.0315 3.418 12473 PYRUVIC ACID (M-H)- 88.0164 0.715 1060 QUINIC ACID (M-H)- 192.0613 0.689 6508 RAFFINOSE (M+CL)- 504.1685 0.684 439242 RETINOIC ACID (M-H)- 300.2098 22.33 444795 RIBITOL (M+CL)- 152.0663 0.65 94154 RIBOSE (M+CL)- 150.053 0.672 5779 S-ADENOSYL-L-HOMOCYSTEINE (M-H)- 384.1287 1.417 439155 SALICYLIC ACID (M-H)- 138.0313 3.834 338 SEBACIC ACID (M-H)- 202.1205 12.977 5192 SERINE (M-H)- 105.0433 0.61 617 SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)- 257.1059 0.678 439285 STACHYOSE (M+CL)- 666.2115 0.683 439531 STEARIC ACID (M-H)- 284.2721 23.229 5281 SUBERIC ACID (M-H)- 174.0879 8.087 10457 SUCCINIC ACID (M-H)- 118.0264 1.34 1110 SUCROSE (M+CL)- 342.1178 0.684 5988 TAURINE (M-H)- 125.0149 0.607 1123 TAUROLITHOCHOLIC ACID (M-H)- 483.2993 21.83 439763 TEREPHTHALIC ACID (M-H)- 166.0264 5.738 7489 THYMIDINE (M+CL)- 242.09 2.833 5789 THYMIDINE (M-H)- 242.0891 2.831 5789 TRANS-ACONITIC ACID (M-H)- 174.0162 1.235 444212 TRICARBALLYLIC ACID (M-H)- 176.0307 1.355 14925 TRICARBALLYLIC ACID (M-H)-[-H2O] 176.0313 1.315 14925 TRICOSANOIC ACID (M-H)- 354.3497 24.536 17085 TRIDECANOIC ACID (M-H)- 214.1931 22.204 12530 TRYPTOPHAN (2M-H)- 204.0874 3.678 6305 TRYPTOPHAN (M-H)- 204.0865 3.679 6305 TYROSINE (M-H)- 181.0734 1.339 6057 UDP-GLUCOSE (M-H)- 566.0561 1.232 53477679 UDP-N-ACETYL-D-GLUCOSAMINE (M-H)- 607.0814 1.209 445675 UNK_102.0317@0.924 102.0317 0.924 UNK_102.0321@0.716 102.0321 0.716 UNK_103.9642@0.575 103.9642 0.575 UNK_104.0474@1.367 104.0474 1.367 UNK_104.0479@1.539 104.0479 1.539 UNK_106.0272@0.705 106.0272 0.705 UNK_112.0166@1.049 112.0166 1.049 UNK_115.9964@0.532 115.9964 0.532 UNK_117.9356@22.961 117.9356 22.961 UNK_117.9357@22.761 117.9357 22.761 UNK_118.0262@1.153 118.0262 1.153 UNK_118.0626@2.590 118.0626 2.59 UNK_118.0629@3.082 118.0629 3.082 UNK_118.063@3.609 118.063 3.609 UNK_1219.5837@8.547 1219.5837 8.547 UNK_122.0036@21.863 122.0036 21.863 UNK_129.0429@0.904 129.0429 0.904 UNK_130.0992@15.214 130.0992 15.214 UNK_132.042@2.649 132.042 2.649 UNK_132.0781@4.717 132.0781 4.717 UNK_132.0783@6.313 132.0783 6.313 UNK_132.0784@6.551 132.0784 6.551 UNK_132.0785@5.656 132.0785 5.656 UNK_1332.5833@11.355 1332.5833 11.355 UNK_134.0216@0.767 134.0216 0.767 UNK_134.0571@1.020 134.0571 1.02 UNK_135.0679@4.920 135.0679 4.92 UNK_137.9986@2.893 137.9986 2.893 UNK_137.9988@21.917 137.9988 21.917 UNK_138.0314@5.169 138.0314 5.169 UNK_138.0314@8.401 138.0314 8.401 UNK_139.0629@4.773 139.0629 4.773 UNK_143.0578@2.204 143.0578 2.204 UNK_144.0934@8.656 144.0934 8.656 UNK_145.9304@24.690 145.9304 24.69 UNK_146.0501@7.803 146.0501 7.803 UNK_146.0581@2.142 146.0581 2.142 UNK_146.094@10.317 146.094 10.317 UNK_147.9899@0.875 147.9899 0.875 UNK_1488.6866@9.728 1488.6866 9.728 UNK_149.9564@0.503 149.9564 0.503 UNK_150.0535@0.685 150.0535 0.685 UNK_150.0676@11.034 150.0676 11.034 UNK_1510.6674@9.727 1510.6674 9.727 UNK_154.876@22.771 154.876 22.771 UNK_156.0782@12.157 156.0782 12.157 UNK_158.0938@14.152 158.0938 14.152 UNK_158.094@12.267 158.094 12.267 UNK_1589.7299@9.679 1589.7299 9.679 UNK_159.9857@0.514 159.9857 0.514 UNK_160.0731@5.870 160.0731 5.87 UNK_160.1096@13.280 160.1096 13.28 UNK_160.1097@11.918 160.1097 11.918 UNK_161.0507@1.917 161.0507 1.917 UNK_164.0468@7.044 164.0468 7.044 UNK_166.0262@5.900 166.0262 5.9 UNK_166.0392@7.651 166.0392 7.651 UNK_166.0624@7.230 166.0624 7.23 UNK_166.0625@6.662 166.0625 6.662 UNK_170.0939@13.666 170.0939 13.666 UNK_172.0732@8.574 172.0732 8.574 UNK_172.1095@11.271 172.1095 11.271 UNK_172.1096@14.980 172.1096 14.98 UNK_173.1048@6.977 173.1048 6.977 UNK_173.1048@7.330 173.1048 7.33 UNK_173.9983@3.132 173.9983 3.132 UNK_174.089@8.450 174.089 8.45 UNK_174.1249@11.572 174.1249 11.572 UNK_174.1252@12.996 174.1252 12.996 UNK_174.1252@15.619 174.1252 15.619 UNK_175.963@0.497 175.963 0.497 UNK_176.1044@9.704 176.1044 9.704 UNK_1790.6365@8.660 1790.6365 8.66 UNK_180.0419@10.661 180.0419 10.661 UNK_181.9777@0.556 181.9777 0.556 UNK_182.0576@3.924 182.0576 3.924 UNK_183.0526@4.772 183.0526 4.772 UNK_184.1095@15.076 184.1095 15.076 UNK_186.1251@13.747 186.1251 13.747 UNK_186.1252@17.123 186.1252 17.123 UNK_186.1254@16.052 186.1254 16.052 UNK_186.1255@15.613 186.1255 15.613 UNK_188.0498@0.869 188.0498 0.869 UNK_188.1051@10.946 188.1051 10.946 UNK_188.1406@15.895 188.1406 15.895 UNK_188.1407@17.496 188.1407 17.496 UNK_188.1409@16.530 188.1409 16.53 UNK_189.9938@2.574 189.9938 2.574 UNK_190.0474@1.403 190.0474 1.403 UNK_190.1199@10.194 190.1199 10.194 UNK_193.0735@5.763 193.0735 5.763 UNK_194.0327@0.745 194.0327 0.745 UNK_195.0892@17.536 195.0892 17.536 UNK_196.0029@5.462 196.0029 5.462 UNK_196.0705@8.452 196.0705 8.452 UNK_196.8185@0.711 196.8185 0.711 UNK_197.0321@8.084 197.0321 8.084 UNK_198.0497@4.476 198.0497 4.476 UNK_198.0499@4.867 198.0499 4.867 UNK_200.0655@5.654 200.0655 5.654 UNK_200.1043@12.322 200.1043 12.322 UNK_200.1045@11.604 200.1045 11.604 UNK_202.0453@0.879 202.0453 0.879 UNK_202.1202@13.172 202.1202 13.172 UNK_203.1149@8.400 203.1149 8.4 UNK_204.0091@3.979 204.0091 3.979 UNK_204.1356@11.228 204.1356 11.228 UNK_204.136@10.640 204.136 10.64 UNK_205.0735@7.559 205.0735 7.559 UNK_205.0736@8.765 205.0736 8.765 UNK_206.0319@5.462 206.0319 5.462 UNK_206.0422@0.998 206.0422 0.998 UNK_206.0432@1.618 206.0432 1.618 UNK_208.0947@1.577 208.0947 1.577 UNK_209.0687@7.623 209.0687 7.623 UNK_209.9815@0.864 209.9815 0.864 UNK_210.0158@1.015 210.0158 1.015 UNK_210.0189@1.367 210.0189 1.367 UNK_210.0866@10.945 210.0866 10.945 UNK_210.1018@13.184 210.1018 13.184 UNK_212.0683@7.239 212.0683 7.239 UNK_212.1774@18.992 212.1774 18.992 UNK_213.0097@3.436 213.0097 3.436 UNK_213.9863@5.759 213.9863 5.759 UNK_214.1201@14.339 214.1201 14.339 UNK_214.1566@18.297 214.1566 18.297 UNK_215.0344@4.924 215.0344 4.924 UNK_216.0407@2.498 216.0407 2.498 UNK_216.0986@7.891 216.0986 7.891 UNK_216.1358@15.089 216.1358 15.089 UNK_216.1719@18.680 216.1719 18.68 UNK_216.1721@19.615 216.1721 19.615 UNK_217.9885@2.498 217.9885 2.498 UNK_218.1149@7.669 218.1149 7.669 UNK_218.115@9.860 218.115 9.86 UNK_220.1307@8.862 220.1307 8.862 UNK_222.0888@14.806 222.0888 14.806 UNK_222.1251@15.269 222.1251 15.269 UNK_222.1405@8.656 222.1405 8.656 UNK_222.1616@20.446 222.1616 20.446 UNK_223.0372@2.548 223.0372 2.548 UNK_223.0841@4.330 223.0841 4.33 UNK_224.0214@6.658 224.0214 6.658 UNK_224.0357@2.891 224.0357 2.891 UNK_224.1775@21.747 224.1775 21.747 UNK_225.9765@0.707 225.9765 0.707 UNK_225.9765@0.925 225.9765 0.925 UNK_227.9727@0.526 227.9727 0.526 UNK_228.0969@13.283 228.0969 13.283 UNK_228.1357@15.709 228.1357 15.709 UNK_228.2082@22.120 228.2082 22.12 UNK_230.0764@1.542 230.0764 1.542 UNK_230.1513@14.081 230.1513 14.081 UNK_230.1517@15.214 230.1517 15.214 UNK_230.1518@16.722 230.1518 16.722 UNK_231.0894@9.766 231.0894 9.766 UNK_232.0847@6.441 232.0847 6.441 UNK_233.0661@2.550 233.0661 2.55 UNK_234.0497@6.660 234.0497 6.66 UNK_234.0501@7.233 234.0501 7.233 UNK_234.1283@17.956 234.1283 17.956 UNK_234.1617@19.851 234.1617 19.851 UNK_237.0163@4.927 237.0163 4.927 UNK_237.1001@8.898 237.1001 8.898 UNK_237.1032@2.846 237.1032 2.846 UNK_237.9755@1.159 237.9755 1.159 UNK_238.1566@20.108 238.1566 20.108 UNK_238.1572@19.859 238.1572 19.859 UNK_239.0321@1.342 239.0321 1.342 UNK_240.0664@3.679 240.0664 3.679 UNK_240.0749@19.292 240.0749 19.292 UNK_240.1357@17.114 240.1357 17.114 UNK_240.1359@16.737 240.1359 16.737 UNK_240.151@8.655 240.151 8.655 UNK_240.1719@20.477 240.1719 20.477 UNK_240.1724@19.859 240.1724 19.859 UNK_240.2086@22.411 240.2086 22.411 UNK_241.0558@0.902 241.0558 0.902 UNK_242.126@6.817 242.126 6.817 UNK_242.1881@21.010 242.1881 21.01 UNK_242.2244@22.393 242.2244 22.393 UNK_242.2244@22.698 242.2244 22.698 UNK_243.1832@15.999 243.1832 15.999 UNK_244.0686@0.941 244.0686 0.941 UNK_244.0833@16.052 244.0833 16.052 UNK_244.1307@11.997 244.1307 11.997 UNK_244.1309@11.577 244.1309 11.577 UNK_244.167@18.131 244.167 18.131 UNK_244.2031@19.788 244.2031 19.788 UNK_244.2035@20.299 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310.1813 22.089 UNK_310.2103@22.700 310.2103 22.7 UNK_310.2141@20.733 310.2141 20.733 UNK_310.2142@19.710 310.2142 19.71 UNK_310.2143@20.188 310.2143 20.188 UNK_310.2145@21.230 310.2145 21.23 UNK_311.9764@1.056 311.9764 1.056 UNK_311.9782@0.756 311.9782 0.756 UNK_312.0997@8.807 312.0997 8.807 UNK_312.1759@22.757 312.1759 22.757 UNK_312.1762@22.388 312.1762 22.388 UNK_312.1763@22.948 312.1763 22.948 UNK_312.2297@19.685 312.2297 19.685 UNK_312.2298@20.551 312.2298 20.551 UNK_312.2301@21.709 312.2301 21.709 UNK_312.2302@20.253 312.2302 20.253 UNK_314.1001@4.872 314.1001 4.872 UNK_314.1267@15.797 314.1267 15.797 UNK_314.1375@10.858 314.1375 10.858 UNK_314.1886@21.017 314.1886 21.017 UNK_314.1988@22.881 314.1988 22.881 UNK_314.2028@22.575 314.2028 22.575 UNK_314.2446@21.030 314.2446 21.03 UNK_314.2462@20.394 314.2462 20.394 UNK_314.2462@22.096 314.2462 22.096 UNK_315.1267@22.038 315.1267 22.038 UNK_316.2037@19.464 316.2037 19.464 UNK_316.2049@20.813 316.2049 20.813 UNK_316.204@21.562 316.204 21.562 UNK_316.2177@22.759 316.2177 22.759 UNK_316.2599@23.052 316.2599 23.052 UNK_316.2612@20.879 316.2612 20.879 UNK_316.2615@21.290 316.2615 21.29 UNK_318.2185@20.612 318.2185 20.612 UNK_318.218@21.544 318.218 21.544 UNK_318.2192@22.033 318.2192 22.033 UNK_318.2194@19.734 318.2194 19.734 UNK_318.2197@21.664 318.2197 21.664 UNK_318.2199@21.237 318.2199 21.237 UNK_318.233@22.964 318.233 22.964 UNK_319.0771@21.840 319.0771 21.84 UNK_320.1836@17.296 320.1836 17.296 UNK_320.1949@22.362 320.1949 22.362 UNK_320.2359@21.807 320.2359 21.807 UNK_320.2487@23.230 320.2487 23.23 UNK_320.2725@22.275 320.2725 22.275 UNK_321.0813@1.345 321.0813 1.345 UNK_321.9939@0.860 321.9939 0.86 UNK_322.0443@4.090 322.0443 4.09 UNK_322.0842@18.768 322.0842 18.768 UNK_322.1814@22.254 322.1814 22.254 UNK_322.1816@22.101 322.1816 22.101 UNK_322.2083@22.632 322.2083 22.632 UNK_323.0135@3.870 323.0135 3.87 UNK_323.0137@3.702 323.0137 3.702 UNK_324.1907@17.225 324.1907 17.225 UNK_324.2067@17.626 324.2067 17.626 UNK_324.2261@24.699 324.2261 24.699 UNK_324.2273@22.880 324.2273 22.88 UNK_324.2311@22.580 324.2311 22.58 UNK_326.1401@15.209 326.1401 15.209 UNK_326.1917@24.692 326.1917 24.692 UNK_326.2424@22.020 326.2424 22.02 UNK_326.2465@22.758 326.2465 22.758 UNK_326.2813@22.372 326.2813 22.372 UNK_326.3145@23.906 326.3145 23.906 UNK_328.134@22.497 328.134 22.497 UNK_328.2246@18.122 328.2246 18.122 UNK_328.2247@18.849 328.2247 18.849 UNK_328.2612@22.964 328.2612 22.964 UNK_328.2619@22.327 328.2619 22.327 UNK_330.0777@15.197 330.0777 15.197 UNK_330.136@21.835 330.136 21.835 UNK_330.1683@16.045 330.1683 16.045 UNK_330.1688@15.367 330.1688 15.367 UNK_330.2404@16.949 330.2404 16.949 UNK_330.2404@18.992 330.2404 18.992 UNK_330.2406@17.196 330.2406 17.196 UNK_330.2407@20.984 330.2407 20.984 UNK_330.241@19.271 330.241 19.271 UNK_330.2563@22.887 330.2563 22.887 UNK_330.2769@23.230 330.2769 23.23 UNK_331.1032@4.903 331.1032 4.903 UNK_332.1557@13.150 332.1557 13.15 UNK_332.1621@16.033 332.1621 16.033 UNK_332.1987@14.031 332.1987 14.031 UNK_332.1992@18.250 332.1992 18.25 UNK_332.2117@21.594 332.2117 21.594 UNK_332.2324@21.875 332.2324 21.875 UNK_332.2353@22.646 332.2353 22.646 UNK_332.2554@18.974 332.2554 18.974 UNK_332.2718@23.001 332.2718 23.001 UNK_333.9555@0.754 333.9555 0.754 UNK_333.9586@1.058 333.9586 1.058 UNK_334.1016@0.967 334.1016 0.967 UNK_334.2003@18.764 334.2003 18.764 UNK_334.2131@21.708 334.2131 21.708 UNK_334.2144@19.484 334.2144 19.484 UNK_334.2262@21.848 334.2262 21.848 UNK_334.2276@22.182 334.2276 22.182 UNK_334.2866@23.200 334.2866 23.2 UNK_336.0684@1.879 336.0684 1.879 UNK_336.1529@21.840 336.1529 21.84 UNK_336.1818@22.574 336.1818 22.574 UNK_336.2289@17.071 336.2289 17.071 UNK_336.2291@22.810 336.2291 22.81 UNK_336.2296@19.589 336.2296 19.589 UNK_336.3021@23.436 336.3021 23.436 UNK_337.1558@12.447 337.1558 12.447 UNK_338.1598@22.906 338.1598 22.906 UNK_338.1993@22.750 338.1993 22.75 UNK_338.213@24.694 338.213 24.694 UNK_338.2428@23.051 338.2428 23.051 UNK_338.2448@21.853 338.2448 21.853 UNK_338.2456@22.036 338.2456 22.036 UNK_339.8999@4.926 339.8999 4.926 UNK_340.1098@18.290 340.1098 18.29 UNK_340.2147@22.964 340.2147 22.964 UNK_340.2174@22.747 340.2174 22.747 UNK_340.2235@22.477 340.2235 22.477 UNK_340.2615@22.269 340.2615 22.269 UNK_342.0954@5.644 342.0954 5.644 UNK_342.1305@12.433 342.1305 12.433 UNK_342.2276@22.885 342.2276 22.885 UNK_342.2303@23.235 342.2303 23.235 UNK_342.2775@22.521 342.2775 22.521 UNK_343.1206@22.224 343.1206 22.224 UNK_343.2173@17.976 343.2173 17.976 UNK_344.0759@3.599 344.0759 3.599 UNK_344.0894@22.305 344.0894 22.305 UNK_344.0899@21.898 344.0899 21.898 UNK_344.1336@3.617 344.1336 3.617 UNK_344.1469@14.350 344.1469 14.35 UNK_344.1837@17.002 344.1837 17.002 UNK_344.2479@23.073 344.2479 23.073 UNK_344.2561@19.183 344.2561 19.183 UNK_344.2564@18.855 344.2564 18.855 UNK_345.0052@0.679 345.0052 0.679 UNK_346.1416@6.737 346.1416 6.737 UNK_346.1417@7.550 346.1417 7.55 UNK_346.1424@8.655 346.1424 8.655 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UNK_400.2831@22.521 400.2831 22.521 UNK_401.1559@22.962 401.1559 22.962 UNK_401.1644@22.504 401.1644 22.504 UNK_401.1659@22.883 401.1659 22.883 UNK_401.1695@3.937 401.1695 3.937 UNK_401.1835@23.237 401.1835 23.237 UNK_401.2201@22.439 401.2201 22.439 UNK_401.2205@22.320 401.2205 22.32 UNK_401.9694@2.583 401.9694 2.583 UNK_402.1443@17.001 402.1443 17.001 UNK_402.1563@22.631 402.1563 22.631 UNK_402.2178@13.561 402.2178 13.561 UNK_402.2408@21.752 402.2408 21.752 UNK_402.2977@22.124 402.2977 22.124 UNK_402.298@22.747 402.298 22.747 UNK_403.1716@23.237 403.1716 23.237 UNK_403.2935@18.555 403.2935 18.555 UNK_404.0567@1.859 404.0567 1.859 UNK_404.0999@6.735 404.0999 6.735 UNK_404.1003@8.628 404.1003 8.628 UNK_404.1007@8.689 404.1007 8.689 UNK_404.101@7.550 404.101 7.55 UNK_404.139@21.837 404.139 21.837 UNK_404.1659@22.739 404.1659 22.739 UNK_404.1682@22.574 404.1682 22.574 UNK_404.2572@17.965 404.2572 17.965 UNK_404.3179@22.537 404.3179 22.537 UNK_406.0311@0.742 406.0311 0.742 UNK_406.0343@1.050 406.0343 1.05 UNK_406.115@9.071 406.115 9.071 UNK_406.1257@8.834 406.1257 8.834 UNK_406.1744@20.014 406.1744 20.014 UNK_406.1788@22.776 406.1788 22.776 UNK_406.178@22.901 406.178 22.901 UNK_406.1994@13.591 406.1994 13.591 UNK_406.229@23.049 406.229 23.049 UNK_406.2721@21.352 406.2721 21.352 UNK_408.0901@1.351 408.0901 1.351 UNK_408.1773@22.571 408.1773 22.571 UNK_408.1935@23.037 408.1935 23.037 UNK_408.1983@22.959 408.1983 22.959 UNK_408.2153@14.033 408.2153 14.033 UNK_408.2867@22.381 408.2867 22.381 UNK_408.2882@20.592 408.2882 20.592 UNK_408.2921@22.080 408.2921 22.08 UNK_408.3216@22.941 408.3216 22.941 UNK_408.3222@24.202 408.3222 24.202 UNK_408.3248@23.041 408.3248 23.041 UNK_409.1368@8.656 409.1368 8.656 UNK_410.1717@19.465 410.1717 19.465 UNK_410.1936@18.602 410.1936 18.602 UNK_410.193@22.782 410.193 22.782 UNK_410.2157@23.241 410.2157 23.241 UNK_410.2309@15.448 410.2309 15.448 UNK_410.2861@22.286 410.2861 22.286 UNK_410.304@22.414 410.304 22.414 UNK_410.934@4.099 410.934 4.099 UNK_411.1476@22.174 411.1476 22.174 UNK_412.1705@17.005 412.1705 17.005 UNK_412.1926@14.347 412.1926 14.347 UNK_412.2072@22.973 412.2072 22.973 UNK_412.2102@19.696 412.2102 19.696 UNK_412.21@18.864 412.21 18.864 UNK_412.21@19.806 412.21 19.806 UNK_412.2296@23.666 412.2296 23.666 UNK_412.2431@15.824 412.2431 15.824 UNK_412.2463@13.565 412.2463 13.565 UNK_412.356@22.958 412.356 22.958 UNK_413.0957@17.625 413.0957 17.625 UNK_413.1331@22.884 413.1331 22.884 UNK_413.1996@23.234 413.1996 23.234 UNK_414.1106@2.556 414.1106 2.556 UNK_414.1291@7.549 414.1291 7.549 UNK_414.1292@6.738 414.1292 6.738 UNK_414.1292@8.688 414.1292 8.688 UNK_414.1294@8.631 414.1294 8.631 UNK_414.1526@12.623 414.1526 12.623 UNK_414.178@11.331 414.178 11.331 UNK_414.183@12.805 414.183 12.805 UNK_414.1851@21.918 414.1851 21.918 UNK_414.2249@20.361 414.2249 20.361 UNK_414.224@17.101 414.224 17.101 UNK_414.2252@19.093 414.2252 19.093 UNK_414.2252@20.052 414.2252 20.052 UNK_414.2792@22.354 414.2792 22.354 UNK_414.2@22.574 414.2 22.574 UNK_414.3136@22.633 414.3136 22.633 UNK_414.3467@22.537 414.3467 22.537 UNK_415.1447@22.497 415.1447 22.497 UNK_416.1313@22.569 416.1313 22.569 UNK_416.1452@9.068 416.1452 9.068 UNK_416.2026@20.017 416.2026 20.017 UNK_416.2045@16.639 416.2045 16.639 UNK_416.2048@16.558 416.2048 16.558 UNK_416.2143@22.768 416.2143 22.768 UNK_416.2937@22.538 416.2937 22.538 UNK_417.0847@22.884 417.0847 22.884 UNK_417.3092@19.397 417.3092 19.397 UNK_418.1447@22.804 418.1447 22.804 UNK_418.1878@23.050 418.1878 23.05 UNK_418.2302@22.961 418.2302 22.961 UNK_418.3099@22.646 418.3099 22.646 UNK_419.159@22.882 419.159 22.882 UNK_420.125@2.546 420.125 2.546 UNK_420.1608@23.000 420.1608 23 UNK_420.1649@21.862 420.1649 21.862 UNK_420.2483@23.225 420.2483 23.225 UNK_420.324@22.754 420.324 22.754 UNK_421.1266@22.633 421.1266 22.633 UNK_421.9995@0.899 421.9995 0.899 UNK_422.0078@1.054 422.0078 1.054 UNK_422.1439@7.742 422.1439 7.742 UNK_422.2084@20.415 422.2084 20.415 UNK_422.2142@22.439 422.2142 22.439 UNK_422.2343@24.688 422.2343 24.688 UNK_422.3377@21.842 422.3377 21.842 UNK_423.1208@3.960 423.1208 3.96 UNK_423.1896@13.592 423.1896 13.592 UNK_424.1725@23.272 424.1725 23.272 UNK_424.2096@11.338 424.2096 11.338 UNK_424.2098@13.082 424.2098 13.082 UNK_424.2103@12.809 424.2103 12.809 UNK_424.3199@22.374 424.3199 22.374 UNK_424.352@22.961 424.352 22.961 UNK_425.1434@1.343 425.1434 1.343 UNK_425.1553@22.884 425.1553 22.884 UNK_425.1565@22.823 425.1565 22.823 UNK_425.1616@22.372 425.1616 22.372 UNK_425.2045@14.035 425.2045 14.035 UNK_426.1528@10.917 426.1528 10.917 UNK_426.1588@22.569 426.1588 22.569 UNK_426.3348@22.452 426.3348 22.452 UNK_427.1418@20.650 427.1418 20.65 UNK_427.1794@23.040 427.1794 23.04 UNK_427.179@22.965 427.179 22.965 UNK_427.1803@22.633 427.1803 22.633 UNK_428.0179@1.053 428.0179 1.053 UNK_428.1656@22.645 428.1656 22.645 UNK_428.1678@12.260 428.1678 12.26 UNK_428.175@22.778 428.175 22.778 UNK_428.2021@16.612 428.2021 16.612 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UNK_434.1777@22.774 434.1777 22.774 UNK_434.2097@20.532 434.2097 20.532 UNK_434.2257@21.837 434.2257 21.837 UNK_434.2471@22.121 434.2471 22.121 UNK_434.3027@21.982 434.3027 21.982 UNK_434.3362@24.280 434.3362 24.28 UNK_434.3399@22.758 434.3399 22.758 UNK_436.0535@0.682 436.0535 0.682 UNK_436.1669@21.926 436.1669 21.926 UNK_436.1911@22.964 436.1911 22.964 UNK_436.2093@19.292 436.2093 19.292 UNK_436.211@18.585 436.211 18.585 UNK_436.3166@22.096 436.3166 22.096 UNK_436.3532@24.925 436.3532 24.925 UNK_436.9648@1.052 436.9648 1.052 UNK_437.1314@22.762 437.1314 22.762 UNK_437.1959@23.072 437.1959 23.072 UNK_437.2924@22.510 437.2924 22.51 UNK_438.1989@22.635 438.1989 22.635 UNK_438.206@23.241 438.206 23.241 UNK_438.2269@19.427 438.2269 19.427 UNK_438.2981@21.795 438.2981 21.795 UNK_438.332@22.896 438.332 22.896 UNK_439.1473@22.964 439.1473 22.964 UNK_439.2165@23.314 439.2165 23.314 UNK_440.2039@19.292 440.2039 19.292 UNK_440.2138@22.747 440.2138 22.747 UNK_440.424@24.517 440.424 24.517 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467.3382 22.881 UNK_468.1399@5.663 468.1399 5.663 UNK_468.2342@21.169 468.2342 21.169 UNK_468.3034@21.599 468.3034 21.599 UNK_468.3106@21.910 468.3106 21.91 UNK_468.3124@22.088 468.3124 22.088 UNK_469.1901@22.967 469.1901 22.967 UNK_469.218@23.133 469.218 23.133 UNK_469.2626@24.203 469.2626 24.203 UNK_470.1222@7.859 470.1222 7.859 UNK_470.2157@16.081 470.2157 16.081 UNK_470.3253@22.185 470.3253 22.185 UNK_470.3278@22.106 470.3278 22.106 UNK_471.1362@1.347 471.1362 1.347 UNK_471.2063@23.222 471.2063 23.222 UNK_471.2424@23.412 471.2424 23.412 UNK_471.2717@23.670 471.2717 23.67 UNK_472.0148@8.676 472.0148 8.676 UNK_472.0833@8.605 472.0833 8.605 UNK_472.0839@8.724 472.0839 8.724 UNK_472.186@18.587 472.186 18.587 UNK_472.2683@20.288 472.2683 20.288 UNK_472.3518@22.936 472.3518 22.936 UNK_473.2106@23.314 473.2106 23.314 UNK_474.0309@9.069 474.0309 9.069 UNK_474.1018@9.069 474.1018 9.069 UNK_474.1535@10.702 474.1535 10.702 UNK_474.2005@3.951 474.2005 3.951 UNK_474.2018@19.428 474.2018 19.428 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22.834 UNK_707.5465@24.510 707.5465 24.51 UNK_708.4155@22.594 708.4155 22.594 UNK_709.4367@22.760 709.4367 22.76 UNK_709.4686@23.215 709.4686 23.215 UNK_709.5068@24.423 709.5068 24.423 UNK_710.2754@14.094 710.2754 14.094 UNK_710.5127@23.668 710.5127 23.668 UNK_711.4269@22.814 711.4269 22.814 UNK_711.5101@25.655 711.5101 25.655 UNK_711.5204@24.761 711.5204 24.761 UNK_711.5214@24.510 711.5214 24.51 UNK_711.522@24.702 711.522 24.702 UNK_711.6012@23.805 711.6012 23.805 UNK_711.6016@24.151 711.6016 24.151 UNK_711.6394@26.906 711.6394 26.906 UNK_712.2912@14.372 712.2912 14.372 UNK_712.4574@22.947 712.4574 22.947 UNK_713.2691@22.098 713.2691 22.098 UNK_713.2698@22.019 713.2698 22.019 UNK_713.5005@24.204 713.5005 24.204 UNK_713.5368@24.796 713.5368 24.796 UNK_713.5375@25.161 713.5375 25.161 UNK_713.537@25.073 713.537 25.073 UNK_713.6548@28.345 713.6548 28.345 UNK_714.2668@8.655 714.2668 8.655 UNK_714.4065@22.586 714.4065 22.586 UNK_715.2857@22.429 715.2857 22.429 UNK_715.5177@24.475 715.5177 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935.6396 22.775 UNK_937.5182@24.151 937.5182 24.151 UNK_937.5235@24.265 937.5235 24.265 UNK_937.524@24.054 937.524 24.054 UNK_937.5966@25.534 937.5966 25.534 UNK_937.599@25.367 937.599 25.367 UNK_938.5227@23.864 938.5227 23.864 UNK_939.5129@21.921 939.5129 21.921 UNK_939.5365@24.523 939.5365 24.523 UNK_939.5536@22.738 939.5536 22.738 UNK_941.5527@24.944 941.5527 24.944 UNK_941.6741@22.660 941.6741 22.66 UNK_941.6923@22.965 941.6923 22.965 UNK_942.6212@25.835 942.6212 25.835 UNK_943.5486@24.128 943.5486 24.128 UNK_943.56@25.473 943.56 25.473 UNK_943.6438@27.447 943.6438 27.447 UNK_944.627@26.628 944.627 26.628 UNK_945.5714@24.354 945.5714 24.354 UNK_945.5758@26.002 945.5758 26.002 UNK_946.6395@22.537 946.6395 22.537 UNK_946.6467@27.969 946.6467 27.969 UNK_947.5856@24.989 947.5856 24.989 UNK_947.6058@21.888 947.6058 21.888 UNK_947.6775@22.467 947.6775 22.467 UNK_947.7371@23.223 947.7371 23.223 UNK_948.621@22.329 948.621 22.329 UNK_948.6226@22.251 948.6226 22.251 UNK_948.674@22.885 948.674 22.885 UNK_949.5967@25.457 949.5967 25.457 UNK_949.5999@25.245 949.5999 25.245 UNK_950.5124@23.763 950.5124 23.763 UNK_951.5009@18.583 951.5009 18.583 UNK_951.5042@24.017 951.5042 24.017 UNK_951.6148@26.027 951.6148 26.027 UNK_952.528@24.082 952.528 24.082 UNK_952.6675@22.769 952.6675 22.769 UNK_952.7015@22.963 952.7015 22.963 UNK_953.5549@24.781 953.5549 24.781 UNK_954.572@22.170 954.572 22.17 UNK_955.5061@24.003 955.5061 24.003 UNK_955.6447@27.443 955.6447 27.443 UNK_956.5449@22.325 956.5449 22.325 UNK_957.5259@24.289 957.5259 24.289 UNK_957.6582@22.891 957.6582 22.891 UNK_957.6623@22.774 957.6623 22.774 UNK_958.6029@22.039 958.6029 22.039 UNK_958.6115@22.453 958.6115 22.453 UNK_958.614@26.491 958.614 26.491 UNK_958.7175@22.962 958.7175 22.962 UNK_958.7433@23.235 958.7433 23.235 UNK_959.5069@23.786 959.5069 23.786 UNK_961.5258@24.005 961.5258 24.005 UNK_961.5665@22.521 961.5665 22.521 UNK_962.5967@22.673 962.5967 22.673 UNK_963.5155@21.900 963.5155 21.9 UNK_963.5418@24.296 963.5418 24.296 UNK_964.6112@22.672 964.6112 22.672 UNK_964.6276@22.872 964.6276 22.872 UNK_964.7642@23.235 964.7642 23.235 UNK_965.5497@25.002 965.5497 25.002 UNK_965.5541@24.639 965.5541 24.639 UNK_967.5526@24.046 967.5526 24.046 UNK_967.5693@25.249 967.5693 25.249 UNK_967.5733@25.018 967.5733 25.018 UNK_968.5844@21.893 968.5844 21.893 UNK_968.6262@22.880 968.6262 22.88 UNK_968.642@26.489 968.642 26.489 UNK_968.6507@22.739 968.6507 22.739 UNK_969.5849@25.759 969.5849 25.759 UNK_971.6562@22.737 971.6562 22.737 UNK_972.6193@22.183 972.6193 22.183 UNK_972.6711@26.689 972.6711 26.689 UNK_973.4833@18.583 973.4833 18.583 UNK_974.6342@22.343 974.6342 22.343 UNK_974.7246@23.236 974.7246 23.236 UNK_975.7017@22.604 975.7017 22.604 UNK_976.6467@22.529 976.6467 22.529 UNK_976.7178@22.899 976.7178 22.899 UNK_977.5917@25.656 977.5917 25.656 UNK_977.6871@22.754 977.6871 22.754 UNK_978.5701@22.099 978.5701 22.099 UNK_981.5234@24.162 981.5234 24.162 UNK_981.5874@25.602 981.5874 25.602 UNK_981.6754@22.757 981.6754 22.757 UNK_982.6555@27.173 982.6555 27.173 UNK_983.7107@22.869 983.7107 22.869 UNK_983.7561@24.197 983.7561 24.197 UNK_984.6192@26.630 984.6192 26.63 UNK_985.5246@23.944 985.5246 23.944 UNK_987.5413@24.343 987.5413 24.343 UNK_987.5415@24.157 987.5415 24.157 UNK_988.6516@22.472 988.6516 22.472 UNK_988.6569@22.664 988.6569 22.664 UNK_988.6878@22.995 988.6878 22.995 UNK_988.6907@22.844 988.6907 22.844 UNK_991.6829@22.767 991.6829 22.767 UNK_992.5868@21.882 992.5868 21.882 UNK_992.6456@25.835 992.6456 25.835 UNK_993.5853@25.561 993.5853 25.561 UNK_993.5873@25.482 993.5873 25.482 UNK_994.657@26.630 994.657 26.63 UNK_995.6028@26.006 995.6028 26.006 UNK_995.7167@22.967 995.7167 22.967 UNK_996.617@22.035 996.617 22.035 UNK_996.6192@22.166 996.6192 22.166 UNK_996.6669@20.024 996.6669 20.024 UNK_996.6676@19.683 996.6676 19.683 UNK_996.6708@27.971 996.6708 27.971 UNK_998.6336@22.353 998.6336 22.353 URACIL 5-CARBOXYLIC ACID (M-H)- 156.0195 1.234 6971263 URIC ACID (M-H)- 168.0272 1.004 1175 URIDINE (M+CL)- 244.0695 1.353 6029 URIDINE (M-H)- 244.0691 1.388 6029 URIDINE-5-MONOPHOSPHATE #2 (M-H)- 324.0309 0.857 6030 UROCANIC ACID (M-H)- 138.042 0.939 736715 VALINE (M-H)- 117.0773 0.866 6287 XANTHINE (M-H)- 152.033 1.295 1188 XANTHOSINE (M-H)- 284.0766 2.361 64959 XANTHURENIC ACID (M-H)- 205.0369 4.593 5699 ZEATIN [ISTD] (M+CL)- 219.1119 3.949 449093 ZEATIN [ISTD] (M-H)- 219.1118 3.953 449093