metabolite_name S00016738 S00016739 S00016740 S00016741 S00016742 S00016743 S00016744 S00016745 S00016746 S00016747 S00016748 S00016749 S00016750 S00016751 S00016752 (S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR L-MIMOSINE (CAS# 500-44-7); (M-H)- 1383 2025 (S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)- 2110938 1318781 2427214 1113946 438403 1706585 1564224 1567102 2638598 1905873 2039731 1183904 1072265 2008850 1379690 (S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)- 6333 6648 6086 11365 5009 8996 1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)- 13612 14750 9524 14845 10896 45325 27936 21451 13549 10344 19448 12465 12094 9815 24392 10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)- 5593 2482 6400 10686 4035 2314 1887 2746 11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)- 20959 7176 23259 20352 4750 10551 13015 19380 2265 17763 22821 25337 25384 11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)- 129330 147362 125450 76542 78436 94445 70907 100679 147887 110183 105188 165063 16:0 LYSO PC (CAS# 17364-16-8); (M+CL)- 5728 8252 6785 6564 3471 5728 8204 7124 16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)- 290151 290871 321117 281836 154581 402452 316582 359738 327028 307274 310031 279558 275967 242835 275703 16:0-18:0 PC (CAS# 59403-51-9); (M+CL)- 46564 3618 5759 5970 1924 5523 1950 16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)- 29619 17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+CL)- 1036 18:0 LYSO-PE (CAS# 69747-55-3); (M-H)- 22703 23439 19938 20702 35671 51225 28634 42966 25044 29139 31980 59770 56202 20706 19632 2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+CL)- 133953 151564 125798 254003 2'-DEOXYINOSINE (CAS# 890-38-0); (M-H)- 4129 7019 25130 2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)- 836822 818603 630070 763167 355531 893210 942644 934324 1256203 770273 953406 791751 678793 929250 919254 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M-H)- 26456 10307 19760 17439 5142 14453 5958 7868 8976 6870 7030 6986 14691 5674 2-HYDROXYBUTYRATE (CAS# ); (M-H)- 60291 32603 54448 42226 28710 47720 60255 42469 60641 48748 58843 39145 32327 57404 47293 2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)- 1909 55125 54799 58418 24430 104263 5262 81264 108314 72267 81905 55474 65871 107655 86915 2-METHYLMALEATE (CAS# 498-23-7); (M-H)- 88887 70322 106131 78629 64181 124870 93021 123982 136024 106208 128332 84722 105842 136349 126980 20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)- 17165 4014 1245 1483 1706 24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)- 7620 3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)- 335649 96549 195805 157551 89876 174797 214680 191963 148342 150186 168251 98990 156244 146836 150434 3-(4-HYDROXYPHENYL)PYRUVATE (CAS# 156-39-8 ); (M-H)- 4661 1700 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)- 189302 42389 105599 47330 62474 66914 229873 70603 88993 67310 71596 107633 165985 145149 136509 3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)- 11180 3856 4401 8365 6964 6929 5781 6087 3530 7321 6969 4261 12744 3894 4082 3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)- 93105 55130 54799 58418 24430 104489 4132 81264 108355 74476 82061 56754 68504 107718 86915 3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)- 128325 88541 88393 108136 36985 178182 144705 135057 171646 126053 131632 92194 120065 188598 128839 3-NITRO-L-TYROSINE (CAS# 621-44-3); (M-H)- 8544 10644 8062 11695 11001 14396 17376 10935 3-SULFINO-L-ALANINE (CAS# 1115-65-7); (M-H)- 7640 3038 3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M-H)- 19263 25883 3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+CL)-[-H2O] 1948 4-COUMARATE (CAS# 501-98-4); (M-H)- 48886 42013 33501 29006 22525 41202 35458 63569 14620 41094 34923 27106 33026 16440 35120 4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M-H)- 24076 27158 5027 10958 10969 14656 15546 7665 4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)- 14860 9476 11917 12247 10898 9417 7630 6993 17339 4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)- 1844273 1206498 2301377 1035309 533215 1657439 1548564 1631288 2145541 1810798 1788437 1194828 1162835 1545404 1244894 4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)- 1844050 1206353 2301904 1035402 529899 1657579 1548413 1631148 2145282 1810683 1788165 1194741 1162728 1545337 1244793 4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)- 77165 32540 29691 31036 4-NITROPHENOL (CAS# 100-02-7); (M-H)- 14995 8173 9720 8435 4438 10425 12288 12248 11947 15327 18041 13742 17031 14790 9461 4-PYRIDOXATE (CAS# 82-82-6); (M-H)- 106427 51691 87833 65496 22556 86368 103333 46944 107497 79997 54643 41680 109635 103056 5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)- 8680 7319 5620 9875 8704 5034 5016 5124 5514 8220 5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)- 24996 14798 22880 19854 8611 23479 14555 22159 22903 21914 15912 20102 29862 14727 21908 5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)- 20735 13132 19433 18145 8234 20455 14313 18947 19858 17818 16323 20445 24065 14884 19304 5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)- 3811 1744 5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M-H)- 1413 5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)- 5696 14206 17278 5813 8991 11498 7180 5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)- 1676 5-OXOPROLINE (CAS# 4042-36-8); (M-H)- 281702 178108 244995 276377 376623 234477 176949 218678 225001 197085 193022 165860 190211 192642 180210 5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)- 122581 110628 133466 128821 70647 74984 78902 6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)- 128325 88541 88393 108136 36985 178182 144705 135057 171646 126053 131632 90421 120065 188598 128839 ACETOACETATE (CAS# 541-50-4); (M-H)- 2361 2628 ADENOSINE (CAS# 58-61-7); (M+CL)- 133953 151564 125798 250615 ADENOSINE (CAS# 58-61-7); (M+HCOO)- 12319 20470 19223 18773 22683 32729 37671 20287 18935 46237 34794 11432 18892 27587 ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+ 3439 6672 10825 6412 1215 3682 4469 5262 1969 5764 5575 5455 17634 4871 ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M-H)- 273136 389421 547501 414750 144843 306101 355485 357833 246713 364776 378551 327098 683617 31810 327459 ADIPIC ACID (CAS# 124-04-9 ); (M-H)- 93105 55130 54799 58418 24430 104489 4132 81264 108355 74476 82061 56754 68504 107718 86915 ALDOSTERONE (CAS# 52-39-1); (M+CL)- 1156 1807 ALDOSTERONE (CAS# 52-39-1); (M+HCOO)- 8883 ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O] 189302 43297 105162 47330 62522 66914 229873 72144 88993 67310 71596 107633 165985 145149 136509 ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H)- 60291 32603 54448 42226 28710 47720 60255 42469 60641 48748 58843 39145 32327 57404 47293 ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M-H)- 57431 ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)- 1118256 1064793 989373 1041991 945310 1092179 1030333 1082035 1095207 1131306 1075921 1045416 991457 1043223 1022296 ARACHIDIC ACID (CAS# 506-30-9); (M-H)- 97807 142590 107252 128792 48333 313167 94847 227249 126598 87299 86027 71954 98103 59313 72473 ARACHIDONATE (CAS# 506-32-1); (M-H)- 2010010 1779158 2022087 1310166 1346443 1766319 2425583 2081517 2067045 2224887 2618733 1953069 2233753 1526140 2162462 ASPARAGINE (CAS# 70-47-3); (M-H)- 19263 25883 ASPIRIN (CAS# 50-78-2); (M-H)- 5941 1700 AZELAIC ACID (CAS# 123-99-9); (M-H)- 9243400 8644489 8109541 9295354 5171659 12800000 10100000 11400000 13900000 11000000 11000000 9257512 10000000 15200000 11400000 BEHENIC ACID (CAS# 112-85-6); (M-H)- 77159 74811 58592 57034 43556 128520 88561 127171 95171 86455 100157 78323 53902 71233 75213 BENZOATE (CAS# 65-85-0); (M-H)- 221572 280120 262354 372268 246218 470891 434666 476307 523946 615829 451659 328375 347818 373315 242074 BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M-H)- 2568 2513 1710 2121 1443 1578 1086 BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O] 1443 2474 4148 2585 1320 1837 1553 2263 1047 1572 BETA-MALTOSE (CAS# 69-79-4); (M+CL)- 30796 38491 29421 5243 8758 3176 BIOTIN (CAS# 58-85-5); (M-H)- 11462 10699 6337 2990 11585 15057 22344 5442 29485 BOC-LYS-OH (CAS# 13734-28-6); (M-H)- 7175 3722 2520 8941 5195 7679 3144 BOC-SER-OH (CAS# 3262-72-4); (M-H)- 1476 2931 2324 2709 1338 2899 6977 6414 7651 4944 3204 5365 5369 C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+CL)- 2102 4216 C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+HCOO)- 2549 CAPRYLIC ACID (CAS# 124-07-2); (M-H)- 2769 9805 11365 12475 12111 2484 9909 7485 3264 3290 1530 10037 2513 CATECHOL (CAS# 120-80-9); (M-H)- 100406 36922 68081 53814 111921 49057 CELLOBIOSE (CAS# 528-50-7); (M+CL)- 30796 38491 29421 3329 1250 8758 3176 CHOLATE (CAS# 81-25-4); (2M-H)- 2809 179323 6745 5857 11619 3002 CHOLATE (CAS# 81-25-4); (M+CL)- 56780 4180 CHOLATE (CAS# 81-25-4); (M-H)- 46071 8319 142865 44392 1426158 84047 242337 65453 233703 319917 163970 58154 21419 55249 CINNAMIC ACID (CAS# 140-10-3); (M-H)- 2504 8141 4726 14041 18354 22955 21525 34179 35935 21860 11795 11648 22256 11670 CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)- 318724 447330 305537 279092 45305 535708 335062 546691 437038 319355 266214 229185 252092 182524 253243 CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)- 4857225 4761500 3815664 3981855 1808417 4382405 4242918 4475934 4725026 4847601 4484694 4329974 3753399 4500695 4470566 CIS-ZEATIN (CAS# 1637-39-4); (M+CL)- 1239309 1203315 1330137 1245168 830772 1345946 1296813 1274004 1514674 1351106 1307200 1184451 1245548 1317596 1212306 CIS-ZEATIN (CAS# 1637-39-4); (M-H)- 3004808 3021564 3260798 3123528 2056407 3418841 3261840 3196678 3718003 3245211 3250212 2944483 3168536 3282125 2978874 CITRAMALATE (CAS# 2306-22-1); (M-H)- 6712 CITRATE (CAS# 77-92-9); (M-H)- 1406195 397033 645222 498319 424001 541273 565048 595746 529779 582470 653652 401843 456669 466471 516209 CITRULLINE (CAS# 372-75-8); (M-H)- 3423 46992 9085 5976 19996 3409 CORTICOSTERONE (CAS# 50-22-6); (M+CL)- 24178 7176 22963 19705 5340 17062 19380 13880 22398 22832 25337 29075 CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)- 129330 147263 123261 76542 78436 96842 70907 102606 147887 110183 105188 167799 CORTISOL 21-ACETATE (CAS# 50-03-3); (M+CL)- 2029 5481 6548 CORTISOL 21-ACETATE (CAS# 50-03-3); (M+HCOO)- 8590 9246 11557 CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)- 9243400 8644645 8110552 9295354 5171659 12800000 10100000 11400000 13900000 11000000 11000000 9257512 10000000 15200000 11400000 CYTIDINE (CAS# 65-46-3); (M+CL)- 10791 4669 5766 4563 6567 2712 D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)- 407104 214725 279713 293740 329606 230927 12710 28040 55646 D-LYXOSE (CAS# 1114-34-7); (M+CL)- 1676 1833 D-LYXOSE (CAS# 1114-34-7); (M+HCOO)- 396265 214634 278846 286368 323429 12710 54727 D-LYXOSE (CAS# 1114-34-7); (M-H)- 4653 4028 4264 D-ORNITHINE (CAS# 348-66-3); (M-H)- 3030 D-PSICOSE (CAS# 551-68-8); (M+CL)- 10700000 10400000 1062462 D-TAGATOSE (CAS# 87-81-0); (M+CL)- 10700000 10400000 1062462 DECANOATE (CAS# 334-48-5); (M-H)- 12809 11191 11033 6895 19087 27225 14211 11866 10973 10782 10463 12192 8940 11101 DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)- 2808 DEHYDROASCORBATE (CAS# 490-83-5); (M-H)- 66554 47249 75453 47791 62455 64039 50563 61729 64755 68371 69188 37891 55177 44483 43095 DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)- 13666 11763 16146 16277 5411 11072 18768 10856 17954 15795 16818 11852 18221 16904 14790 DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)- 1922 1670 DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)- 2274 DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)- 80727 34560 6658 37568 108532 73344 12747 27496 18881 107103 95690 13441 35668 68450 86304 DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)- 1077 DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)- 1337 DEOXYURIDINE (CAS# 951-78-0); (M+CL)- 1595850 1002732 1603193 1610047 1131638 1353556 1146489 1105725 1861465 1602125 1701970 1225080 935561 1305273 1315714 DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)- 131691 81609 129568 130490 124674 112757 90402 81629 139085 126148 140725 101316 77936 102928 101911 DEOXYURIDINE (CAS# 951-78-0); (M-H)- 113583 86092 130918 121402 120811 117036 90093 86439 142162 120084 131442 99645 75971 103413 100085 DGMP (CAS# 902-04-5); (M-H)- 277968 125184 143686 414750 306101 96780 357833 66152 111464 109778 169912 31810 94992 DIACETYL (CAS# 431-03-8); (M+HCOO)- 71775 23958 31382 35035 21793 46187 73634 31018 35878 38157 31250 26825 26196 40577 29451 DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)- 1372782 1322802 681748 510379 378133 660395 933141 890482 994870 1335607 1328155 1061353 635159 1452130 1331867 DUMP (CAS# 964-26-1); (M-H)- 4941 4320 ELAIDIC ACID (CAS# 112-79-8); (M-H)- 4857225 4761500 3815789 3981860 1808417 4382405 4242919 4475893 4727030 4847604 4484806 4329814 3753399 4500770 4470533 EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)- 633452 604289 623988 565856 315538 702252 651282 612255 791098 750785 708455 553179 562613 735274 598020 EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)- 6606583 6140651 6719007 6119140 3519509 7573159 7033249 6258573 7871983 7624320 7586066 5896462 5992817 7755968 6188984 ERUCIC ACID (CAS# 112-86-7); (M-H)- 24692 31264 17287 24115 2997 123009 25583 54354 22622 15395 15271 11781 11926 8326 10487 ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)- 24910 13119 17916 10386 4684 27801 28172 24144 27978 28043 32094 8223 12263 21164 22605 FERULATE (CAS# 1135-24-6); (M-H)- 7735 1884 2471 5080 5073 6834 3614 6441 3171 5862 FRUCTOSE (CAS# 57-48-7); (M+CL)- 10700000 10400000 1062462 FRUCTOSE (CAS# 57-48-7); (M+HCOO)- 36592 33177 36097 29920 11674 38755 36067 29775 44534 32585 37123 28341 39179 35771 25537 FUMARATE (CAS# 110-17-8); (M-H)- 51753 12768 25375 25535 31298 23980 25126 25420 28230 25133 25030 11146 21042 20676 GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)- 71852 31411 31382 35035 21976 46184 73634 31018 35878 38157 32268 22561 26196 40577 29451 GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)- 3352 2413 2009 6612 GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)- 1118256 1064793 989373 1041991 945310 1092344 1030333 1082035 1095207 1131306 1075921 1045416 991457 1043223 1022296 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)- 12550 10961 13833 13418 4430 16524 13515 12804 18617 14950 13876 10688 13205 13503 10506 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)- 2096 3452 21888 7970 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)- 436799 444375 476250 470581 256251 524877 486906 462255 564459 503745 480809 423930 450181 489096 412598 GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O] 338475 176192 341391 197687 8903 350560 212874 219789 256141 240325 260708 134549 357883 173175 134327 GLUCONIC ACID (CAS# 526-95-4); (M-H)- 407104 645071 214725 33327 279713 293740 329606 230927 12710 28040 166683 GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O] 30796 38491 2440 3329 1250 8758 GLUCOSE (CAS# 50-99-7); (M+CL)- 10700000 10400000 1062462 GLUTAMATE (CAS# 56-86-0); (M-H)- 13673 48044 38540 GLUTAMINE (CAS# 56-85-9); (M-H)- 66550 86936 89340 52016 54735 50074 GLUTARATE (CAS# 110-94-1); (M-H)- 71852 31411 31382 35035 21976 46184 73634 31018 35878 38157 32268 22561 26196 40577 29451 GLUTATHIONE (CAS# 27025-41-8); (M-H)- 94146 72205 96763 76098 35178 55493 75560 108867 91095 115741 68527 81139 245022 57548 88758 GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O] 189302 42389 105599 47330 62474 229873 70603 88993 67310 71596 107633 165985 136509 GLYCERATE (CAS# 473-81-4); (M-H)- 2673 GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)- 2858 2864 12694 6956 3463 9573 5564 14029 GLYCINE (CAS# 56-40-6); (M-H)- 1416 GLYCOCHOLATE (CAS# 475-31-0); (M-H)- 51728 GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M-H)- 6332 GUANINE (CAS# 73-40-5); (M-H)- 6799 2804 5879 5673 4526 4918 1551 3126 GUANOSINE (CAS# 118-00-3); (M+CL)- 6944 GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M-H)- 31327 46785 37052 16087 29747 42288 25456 38012 24980 17628 59737 29771 HEPTADECANOATE (CAS# 506-12-7); (M-H)- 324513 327982 364637 378410 187116 352563 300256 356084 353061 329562 318808 286608 333685 289242 314944 HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)- 17296 19024 18108 16100 12227 35272 18819 36525 26796 21792 15977 13110 13383 15980 17269 HEXANOATE (CAS# 142-62-1); (M-H)- 1773 4116 2557 2893 2650 3852 HIPPURATE (CAS# 495-69-2); (M-H)- 28100000 24300000 24200000 25700000 9245691 31700000 33800000 32100000 34200000 27000000 31500000 26200000 28000000 30100000 26000000 HOMOVANILLATE (CAS# 306-08-1); (2M-H)- 2985 2318 1689 1703 3189 HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)- 716988 656026 799286 749032 2694829 665508 722300 610414 737215 727859 818587 669970 727359 719112 730349 HYPOXANTHINE (CAS# 68-94-0); (M-H)- 107234 57011 52680 46291 68242 50744 190044 10269 29417 44896 243210 71641 IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M-H)- 1486 2101 INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)- 1322 INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M-H)- 6481 4397 4585 1679 2269 3853 5688 4079 4828 2780 5129 2473 6040 6630 4565 INOSINE (CAS# 58-63-9); (M+CL)- 190440 254250 173113 473782 INOSINE (CAS# 58-63-9); (M-H)- 630903 163984 465273 174522 62684 486727 1045061 313157 1151356 470448 528970 423915 308679 1272254 550735 INOSINE 5'-DIPHOSPHATE (CAS# 86-04-4); (M-H)- 1195 INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M-H)- 1863 ISOCITRATE (CAS# 320-77-4); (M-H)- 1404769 391216 637556 495539 419485 535791 561184 591595 525730 577121 647966 399154 460343 462595 513213 ISOLEUCINE (CAS# 73-32-5); (M-H)- 144868 76729 143897 11338 128805 149270 128118 160616 70563 146443 74892 115852 136663 ITACONATE (CAS# 97-65-4); (M-H)- 16997 19202 8994 6397 60372 52229 23247 18920 10563 8378 13542 23894 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)- 36988 43304 48103 43699 13365 52503 42997 41946 58456 47316 43114 36675 39824 45809 38722 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)- 1849812 1895511 2038429 1872180 1095640 1982720 1968162 1924931 2199534 1927470 2038553 1887177 1793118 2143174 1866915 KYNURENINE (CAS# 343-65-7); (M-H)- 11409 14040 L-ARGININE (CAS# 74-79-3); (M-H)- 3248 4590 4374 3682 3231 4126 2748 2509 L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O] 42842 32126 9098 37916 42293 39839 26724 16716 56452 50890 2275 L-GULONATE (CAS# 6322-07-2); (M-H)- 396265 613284 213842 33246 278848 286367 322792 131980 12710 166025 L-HISTIDINE (CAS# 71-00-1); (M-H)- 24714 28794 53079 23595 25674 14363 21978 L-HISTIDINOL (CAS# 4836-52-6); (M-H)- 1291 L-RHAMNOSE (CAS# 10030-85-0); (M-H)- 1565 1694 11355 L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)- 73780 61870 80643 66046 48552 76824 76763 68336 74245 73920 61780 62072 77618 64932 L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)- 237293 240752 261130 147375 275659 245575 314358 255152 218547 235907 246694 233444 LACTOSE (CAS# 63-42-3); (M+CL)- 30796 38491 29421 3329 1250 8758 3176 LACTOSE (CAS# 63-42-3); (M-H)- 1384 1533 1198 1192 LAURIC ACID (CAS# 143-07-7); (M-H)- 42050 33966 27491 33625 24441 44344 43519 39144 38524 43836 38711 35314 32435 33507 31339 LEUCINE (CAS# 328-39-2); (M-H)- 144868 76729 243433 11338 128805 151082 128118 160616 70812 146443 74892 115852 136663 LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)- 35383 17341 50097 33217 8045 9739 37395 6559 45285 32089 37280 12252 6243 7392 27253 LIGNOCERIC ACID (CAS# 557-59-5); (M-H)- 119915 109953 99929 64981 54107 131320 101853 92705 101122 113906 105574 105321 71504 99190 100035 LINOLEATE (CAS# 60-33-3); (M-H)- 4050515 3660489 3034258 3290820 2096854 3088201 2864288 3043973 3410203 4179635 3307610 3719533 2815477 4063456 3740116 LITHOCHOLIC ACID (CAS# 434-13-9); (M+HCOO)- 2868 3034 1427 LYSINE (CAS# 56-87-1); (M-H)- 3614 5975 5033 4190 2327 2295 2011 2302 1958 5188 2586 3385 1623 2111 LYSOPHOSPHATIDIC ACID (CAS# 0); (M-H)- 1296 1098 MALATE (CAS# 97-67-6); (M-H)+[-H2O] 152286 122974 94103 78223 137860 109237 126796 132714 114524 122606 56859 107631 70098 70988 MALATE (CAS# 97-67-6); (M-H)- 1558854 590423 1105345 894669 76654 980409 1152775 1202085 1022251 1138391 518963 656429 705131 MALEIC ACID (CAS# 110-16-7); (M-H)- 51753 13885 25375 25087 80436 25810 25126 33206 28230 25133 25030 11146 21042 75227 MALTOSE (CAS# 69-79-4); (M+CL)- 30796 38491 29421 3329 1250 8758 3176 MANDELIC ACID (CAS# 611-71-2); (M-H)- 17533 15760 14685 8365 6964 12572 10627 20124 10727 17753 10622 6484 21211 10267 6170 MELIBIOSE (CAS# 585-99-9); (M+CL)- 30796 38491 29421 3329 1250 8758 METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)- 154753 128325 217407 151656 116724 183790 153160 168881 172573 157040 169599 110672 180655 138144 131387 METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCOO)- 6880 26731 5101 45786 9942 METHYLMALONATE (CAS# 516-05-2); (M-H)- 317762 131151 184162 179479 139339 302718 298724 233657 274211 235616 136278 126425 10754 174244 MEVALONIC ACID (CAS# 674-26-0); (M-H)- 92968 57902 76205 53959 18310 84375 68078 58267 85507 71780 72825 49610 62358 78395 63226 MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)- 93105 57712 55082 58418 24430 104489 4387 81264 108355 74476 82061 56754 68504 107718 86915 MYRISTIC ACID (CAS# 544-63-8); (M-H)- 400434 379103 354743 349060 353700 309191 315182 321077 321874 395688 393759 372776 350351 374540 367526 MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)- 23263 40001 19836 24261 9652 24229 16221 28288 43767 47382 24932 28032 14272 37431 30814 N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)- 164509 167589 151802 160464 191375 175468 156831 153501 190622 N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)- 164509 167589 151802 160464 191375 175468 156831 153501 190622 N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)- 63565 32029 49262 29681 32031 40294 39707 49886 81265 45823 48212 26594 30098 42165 40580 N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)- 131781 48644 72111 63109 21404 80007 73018 70356 61225 60721 56327 41848 59787 41705 59052 N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)- 13673 45720 N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)- 141572 87869 120314 88246 51247 121037 131607 114845 105295 84555 102295 71714 95510 108129 82724 N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)- 23664 16268 16691 15769 25073 N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)- 456397 147886 423543 169279 54139 244145 340481 232509 250364 160905 262699 138364 139877 221077 196480 N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)- 76070 27599 62981 52274 93440 58441 46368 57568 24391 52922 52769 25163 54882 33721 18193 N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)- 164509 167589 151802 160464 191375 175468 156831 153501 190622 N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)- 21365 22536 36192 16198 12772 18685 26001 22033 47176 38393 22534 25301 21726 35540 23549 N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)- 37534 27617 36974 53552 1099 50788 6957 26884 53539 51308 34430 19314 39640 21825 20887 N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)- 13673 48044 38540 N-OLEOYLGLYCINE (CAS# 2601-90-3); (2M-H)- 1065 NERVONIC ACID (CAS# 506-37-6); (M-H)- 20049 21697 17175 12743 4329 46689 28025 38965 29857 28798 23323 21843 6245 14419 15425 NICOTINATE (CAS# 59-67-6); (M-H)- 31436 30577 26490 19557 NONANOATE (CAS# 112-05-0); (M-H)- 13551 7895 9725 7699 6531 17522 16396 12904 14270 12486 11323 8279 8982 12729 7711 NORLEUCINE (CAS# 327-57-1); (M-H)- 144868 76729 103118 11338 128805 151082 128118 160616 70812 146443 74892 115852 136663 OLEIC ACID (CAS# 112-80-1); (M-H)- 4857287 4761647 3814269 3974832 1808417 4383589 4246492 4475600 4726751 4847687 4483172 4329458 3752908 4499656 4470450 OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H)- 4769 3903 6715 1898 OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M-H)- 1413 OPHTHALMIC ACID (CAS# 495-27-2); (M-H)- 4830 1740 8467 17301 4115 3114 3530 8858 3058 6612 7421 OROTATE (CAS# 65-86-1); (M-H)- 6317 5534 8845 9130 11284 2792 5877 OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)- 94146 72205 96763 76098 35178 55493 75560 108867 91095 115741 68527 81139 245022 57548 88758 PALATINOSE (CAS# 343336-76-5); (M+CL)- 30796 38491 29421 3329 1250 8758 3176 PALMITATE (CAS# 57-10-3); (M-H)- 2912628 2932193 2769274 2900071 2740752 2567857 2840765 2649915 2968194 2916769 2780050 2704735 2493045 2664223 2630682 PALMITOLEIC ACID (CAS# 373-49-9); (M-H)- 1620526 1844398 991110 1149457 239775 1582036 1552048 1722614 1837321 1645176 1609632 1480569 1151202 1612401 1559546 PANTOTHENATE (CAS# 79-83-4); (M+CL)- 30563 15029 20802 20073 10108 23835 17861 22599 24257 19061 16876 14476 14482 14383 11076 PANTOTHENATE (CAS# 79-83-4); (M-H)- 383842 246433 333197 275720 197877 351712 230394 319039 357702 281125 275234 245948 255610 212111 175373 PENTANOATE (CAS# 109-52-4); (M+HCOO)- 50427 24197 50476 35525 13077 62476 36447 27267 35397 23766 PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)- 335649 96549 195805 157551 89876 174797 214680 191963 148342 150186 168251 98990 156244 146836 150434 PHENYL ACETATE (CAS# 122-79-2); (M-H)- 19465 4028 13835 2290 6352 14013 15347 12146 11337 2653 PHENYLALANINE (CAS# 63-91-2); (M-H)- 555061 316493 671257 359592 615845 542514 510976 544644 487448 405720 540482 333761 486968 428589 396021 PHENYLPYRUVATE (CAS# 156-06-9); (M-H)- 8292 6404 2534 2647 4870 2006 2438 PHYTANATE (CAS# 14721-66-5); (M-H)- 38877 57542 49781 51363 19432 44652 62346 58845 44004 39917 33720 46573 28819 38031 PICOLINIC ACID (CAS# 98-98-6); (M-H)- 27689 31061 23544 PINITOL (CAS# 10284-63-6); (M+CL)- 154753 128325 217407 151656 116724 183790 153160 168881 168243 157040 169599 110672 180655 138144 131387 PROPENOATE (CAS# 79-10-7); (M-H)- 18954 9398 PROSTAGLANDIN E2 (CAS# 363-24-6); (M+CL)- 2297 1204 PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)- 9738 1913 PTERIN (CAS# 2236-60-4); (M-H)- 1224 2825 PURINE (CAS# 120-73-0); (M-H)- 21659 85117 11486 48257 40717 29119 9194 35305 14086 PYRUVATE (CAS# 127-17-3); (M-H)- 2741 2244 1698 13556 21086 2586 1171 2057 15110 11093 RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+HCOO)- 2063 1290 RAFFINOSE (CAS# 512-69-6); (M+CL)- 2705 1782 2535 2580 3065 3442 2927 3340 2206 2229 2839 2909 RETINOATE (CAS# 302-79-4); (M-H)- 6277 7271 7077 5144 6220 6660 6114 7195 7563 7994 5141 6593 5526 5427 RIBOSE (CAS# 50-69-1); (M+CL)- 1083 3727 1833 RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)- 2076 1489 S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)- 9803 6896 6509 6942 11656 12401 9687 9664 10788 6000 5872 SALICYLATE (CAS# 69-72-7); (M-H)- 455583 149645 297207 243540 257715 284997 313696 271038 80824 157510 233901 89069 344614 85502 78282 SALICYLURIC ACID (CAS# 487-54-7); (M-H)- 1989 2355 4398 3674 4159 1654 1635 3186 1240 SEBACIC ACID (CAS# 111-20-6); (M-H)- 1013334 1552392 1071772 1009180 762032 2148451 2027487 1028852 2724742 2526177 2519492 1766923 1172594 2164823 183875 SERINE (CAS# 56-45-1); (M-H)- 3059 3212 2104 2631 3398 1798 2447 1585 2301 2345 1466 1726 SHIKIMATE (CAS# 138-59-0); (M-H)- 1472 SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+CL)- 69047 70218 63415 79445 77870 61799 62109 70017 50767 SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+HCOO)- 2303 1958 STACHYOSE (CAS# 54261-98-2); (M+CL)- 1607 1443 2028 3114 2474 4148 2585 2607 1320 1837 1553 2263 1047 1946 STEARATE (CAS# 57-11-4); (M-H)- 3321226 3184149 3523519 3513894 3259378 3571222 3273675 3893600 3504870 3425181 3174968 3220801 3176239 3053934 3139440 SUBERIC ACID (CAS# 505-48-6); (M-H)- 387582 325271 307372 395897 151914 617786 462880 473826 580407 435296 441718 332948 404616 655835 458404 SUCCINATE (CAS# 110-15-6); (M-H)- 317762 131151 184162 179479 139339 302718 298724 233657 274211 235616 136278 126425 189157 174244 SUCROSE (CAS# 57-50-1); (M+CL)- 30796 38491 29421 3329 8758 3176 TAURINE (CAS# 107-35-7); (M-H)- 80996 53238 101482 81553 65562 81398 56401 82018 214287 THEOPHYLLINE (CAS# 58-55-9); (M-H)- 7029 THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O] 13673 45720 THROMBOXANE B2 (CAS# 54397-85-2); (M-H)- 63807 32741 78101 53480 9947 66839 57077 90213 87818 55755 66499 35569 69824 44358 THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O] 9738 1913 THYMIDINE (CAS# 50-89-5); (M+CL)- 1002853 497732 720155 934608 407590 775510 572740 645377 881055 975118 874213 694245 548491 607300 745998 THYMIDINE (CAS# 50-89-5); (M+HCOO)- 294159 171643 225962 300345 175937 238933 186140 192270 264078 280066 240877 177979 206333 235082 THYMIDINE (CAS# 50-89-5); (M-H)- 188243 119085 139595 193137 114097 158669 120943 131302 180121 193833 187152 154078 113497 137536 154197 THYROXINE (CAS# 51-48-9); (M-H)- 7044 2979 4629 4695 3658 2363 4242 4758 4818 3975 1912 5729 5216 TRANS-ACONITATE (CAS# 4023-65-8); (M-H)- 128858 38560 85110 60893 62455 64039 62376 67980 72183 68371 64210 40980 55177 46014 57918 TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)- 4857740 4761883 3814886 3974832 1808417 4383376 4246492 4475674 4724441 4847687 4483172 4329489 3752908 4499656 4470435 TRIACONTANOIC ACID (CAS# 506-50-3); (M-H)- 12990 13575 13844 13148 10899 13276 12533 13223 13603 12709 12916 12965 12835 12980 13772 TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)- 13816 4319 3037 4220 TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O] 16362 62089 47861 42212 57971 90771 58647 56711 42727 95220 22185 66064 55448 14865 TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)- 66624 59690 44134 26543 36958 57104 52042 46410 48516 49858 54685 52546 31703 55720 61997 TRIDECANOIC ACID (CAS# 638-53-9); (M-H)- 13405 17051 13464 10905 10663 12481 18400 9395 9862 17973 7709 8678 12607 10056 18861 TRYPTOPHAN (CAS# 73-22-3); (2M-H)- 25387 TRYPTOPHAN (CAS# 73-22-3); (M-H)- 584238 352762 607047 362672 423033 429852 431931 538023 636322 406878 461444 360743 386607 480753 518280 TYROSINE (CAS# 60-18-4); (M-H)- 203809 84892 152513 120046 302647 121806 106018 146672 107913 95088 123534 82318 111251 85488 114383 UDP-GLUCOSE (CAS# 133-89-1); (M-H)- 7353 UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)- 1725 6342 2465 UNK_104.0474@1.672202 112225 31372 90614 78683 21168 106329 120267 89645 104430 49730 40351 36962 36066 43149 80198 UNK_112.0149@0.91162467 22374 1340 UNK_115.9956@0.55100024 7657 UNK_116.0841@5.128883 248690 361602 87915 279928 183796 560772 456639 92672 675092 603791 569062 369917 105853 441754 37525 UNK_118.0269@1.3328813 310248 138407 190762 188394 147302 314561 309158 244639 282424 186156 244431 141332 133425 204979 184975 UNK_118.0633@3.5269675 932717 874869 692632 815976 382648 1002155 1041596 1022290 1372032 843181 1046605 846480 745076 1049054 1009906 UNK_120.0421@0.7134587 45968 45541 114963 41938 104226 56558 41073 49666 48137 53373 37077 43856 47618 32900 UNK_1204.4072@8.098554 134027 89876 162601 120398 11343 49695 58044 187080 136768 139276 51950 39570 375383 41039 53750 UNK_122.0365@8.060406 213300 269594 256430 375023 234974 451758 423361 476141 515546 600676 456741 321956 336628 366296 236740 UNK_1226.3903@8.098975 33082 22905 41241 30484 3854 11453 15655 44378 35743 34604 11817 9995 89862 10616 13667 UNK_1248.3702@8.097975 18607 12241 25097 18167 2031 7261 8453 28452 20823 21544 4316 6052 52502 5714 6209 UNK_126.1048@10.804403 291493 329881 285644 336679 175728 482069 321953 427946 522664 406695 354113 339493 345206 501630 423515 UNK_128.1203@12.0437565 239863 317756 308505 272852 181068 489975 377156 357846 599806 535234 465449 367407 346825 482097 191689 UNK_129.0422@0.9159206 391019 234869 398820 368857 499616 354377 265821 334161 350847 285287 302932 231515 349722 250691 253472 UNK_130.0256@1.0882291 749209 684582 544619 526604 17179 19874 775798 23240 6255 752845 677345 542462 UNK_130.0634@4.4749684 2098333 1316188 2400022 1110145 542098 1696655 1553279 1643429 2641319 1884048 2025531 1187927 1195807 2000702 1369951 UNK_131.0578@1.5228019 152784 98398 124289 95691 53554 129801 142718 119404 111079 99024 108179 80842 107199 122800 100046 UNK_1319.4353@8.36635 61435 44623 70729 49438 17764 33676 46782 54965 78667 74542 40819 39085 48036 27079 38648 UNK_132.0478@0.5641671 120826 2227 32828 UNK_132.0786@6.352495 170411 105690 135869 97839 37811 155470 155825 142517 214161 147679 148743 109493 99257 161623 157794 UNK_1322.6014@9.035467 28203 23010 35613 26863 9857 17531 23293 29082 30733 28333 19189 18821 41956 15249 17158 UNK_133.0527@4.8386116 28200000 24300000 24200000 25800000 9262527 31800000 33900000 32200000 34300000 27000000 31600000 26300000 28000000 30100000 26000000 UNK_133.9309@22.607805 504875 116952 347153 326355 481422 317277 308950 112421 281700 451085 498735 358656 244848 178066 357237 UNK_135.0543@3.944836 59003 71039 74448 72106 40525 82371 61891 89498 75544 61287 68091 70246 63168 68252 UNK_135.0683@4.8380117 1040189 951220 909727 987295 345922 1243987 1241888 1286043 1348593 1041215 1145497 985816 1056372 1086115 1016756 UNK_136.0356@0.6860838 829575 848662 1137546 920862 594473 921027 859912 1075461 1226646 910556 1008959 822238 1011114 836305 773839 UNK_138.0318@8.273656 456285 150481 298975 240013 258623 276120 314594 271424 81239 156364 229230 92411 345696 84854 78891 UNK_138.0448@5.4006147 235319 241807 258156 149235 276992 253832 256029 220249 236935 248524 234810 UNK_139.1362@14.323404 48519 68869 26671 46101 37539 101311 100821 36538 132523 117477 110989 80204 33517 96117 9857 UNK_141.1156@12.034545 64373 109564 81145 60958 54313 145969 123677 96057 195606 190187 153680 115502 101627 125468 13387 UNK_1423.6528@8.969335 28867 18531 32411 33784 32921 27170 40113 31192 30189 24040 16347 35915 22241 22640 UNK_144.1152@10.758854 50958 85514 354554 412965 233094 114369 90583 510941 129943 124852 113054 93413 428723 85469 451018 UNK_145.0372@0.74425024 2315 27985 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UNK_926.4322@22.960703 43229 30168 19548 22706 7820 21319 28467 23941 26939 37079 32313 36281 20729 40529 32627 UNK_926.6697@26.81918 86653 72535 146992 98574 41027 196370 118656 240310 132110 123093 114506 121471 88623 91038 92815 UNK_927.5461@23.242214 41041 71610 94533 67361 32070 115778 56463 102403 94694 54229 60990 48111 76893 30733 47690 UNK_927.6181@26.277788 33755 30749 42100 86290 48305 71575 42517 45076 53993 47924 25825 39529 UNK_928.0815@22.61321 17794 9865 7324 9964 4218 7297 13371 7656 12568 14646 12543 14799 8357 14560 13549 UNK_929.2742@22.075022 10086 9607 6912 6386 15127 29311 21356 31461 18881 34180 13664 11924 12964 14534 UNK_929.2747@22.193935 15298 UNK_929.561@23.50471 71321 163995 148029 175968 65216 190657 102479 156960 113321 85995 76819 76168 170544 65368 84844 UNK_930.4635@23.214643 21286 7637 8918 10390 25406 10229 12538 11208 11276 16749 14706 17941 4310 18282 12411 UNK_931.5706@23.657955 13152 UNK_931.5713@23.43852 44234 69177 78436 84948 21971 89845 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UNK_937.5266@24.17802 26522 119426 UNK_937.5276@24.204018 73103 67426 52005 28765 27415 129131 127785 122693 93624 83153 112240 91349 46675 74900 76521 UNK_938.3531@22.603737 10482 9508 8139 6707 7968 8785 6627 6782 1163 9713 6891 UNK_938.5158@22.841562 1494 UNK_938.5247@22.540907 14890 15107 11541 8536 17984 12027 12248 12930 16134 11766 9069 11148 11267 13056 UNK_939.5426@24.61483 393262 365626 523300 532805 457434 388021 477862 300749 444666 386651 368487 482718 514284 490682 488685 UNK_939.566@22.761002 70408 85749 100923 101567 40668 103218 68917 92509 78045 67388 51755 59984 94661 53324 60962 UNK_940.0536@22.431963 19122 21137 22383 20449 12481 24517 20435 19891 23134 22622 19900 18500 19591 21581 19078 UNK_940.2598@13.063906 6063 4170 12058 13050 20555 16702 12483 19260 19910 10633 12513 10957 14887 8953 UNK_941.5579@25.037186 403038 441158 377793 333518 160454 507607 503741 510375 454796 380363 485238 428847 329333 365995 368041 UNK_941.6245@25.963425 43849 46136 60048 55737 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106288 102925 97163 203274 62534 98992 UNK_969.5879@25.90769 92975 109929 86735 80633 42562 202267 132967 211321 152264 104937 143161 102629 85960 100788 89562 UNK_970.4711@13.087259 69645 69970 76571 80030 47374 95369 89782 83109 104460 110407 88354 80994 84017 81288 61255 UNK_970.6498@22.743607 9702 8350 7149 5703 2200 6487 6729 8445 8043 10735 7065 6872 6807 6860 8287 UNK_971.511@24.961088 4223 1784 2258 2846 1482 4904 4099 2768 2905 7567 4687 6285 6350 3406 UNK_971.5324@23.140268 56034 95648 107278 120411 23662 110968 61565 91837 90952 60506 48611 50725 103173 36105 49887 UNK_973.2616@22.018137 49398 40622 38463 33917 31746 47268 50361 47604 45662 50433 51600 44355 35958 45412 46551 UNK_973.2626@22.187048 39119 33164 55862 69770 64694 32936 33933 30727 34314 35495 38419 39004 58022 37303 33149 UNK_975.2786@22.489944 60436 47262 51459 42043 42569 50714 59849 52861 51749 54571 64811 59077 49244 49766 54362 UNK_975.5818@25.101736 3524 1306 1471 2270 5665 5236 3581 5291 3638 4070 3717 UNK_976.6713@22.742205 18833 13453 10411 7268 4579 10057 10454 13619 15056 22792 14018 15096 10381 13438 16081 UNK_977.201@4.838398 72391 68134 64794 68538 31592 78070 80815 78176 79772 69696 81124 74483 73831 76914 70588 UNK_977.2937@22.796597 42210 33469 38832 37582 52979 31982 49010 31369 38316 38625 53848 45632 40877 44858 41742 UNK_977.2975@22.682407 16251 14774 38853 37672 14283 22628 17009 21341 20912 17674 20704 17032 16457 16164 15864 UNK_978.5459@24.383574 2017 3555 4619 5300 9081 2755 UNK_980.686@22.459444 10866 10381 12451 9704 4627 12791 12713 13974 13464 11983 13293 11560 9455 10047 10945 UNK_981.514@24.433647 33056 34185 24474 17383 11188 53526 49161 50981 42655 32209 41331 35067 27067 37922 29072 UNK_981.5878@25.775099 21806 19300 26062 13077 12630 40270 24850 41235 34117 30434 32002 27890 15844 30618 25518 UNK_983.2195@4.8428183 100274 96870 89295 94872 46704 106016 112429 105294 111289 98227 109237 103861 102039 108019 98779 UNK_983.5292@24.898771 40544 26229 33728 25283 21432 59466 31518 51925 35723 55846 45370 24896 44698 32917 45087 UNK_983.5647@23.712402 7923 25526 37518 47147 10941 72273 16467 38081 25447 7531 11526 6067 24358 7056 12992 UNK_984.2695@13.087733 17780 20480 18931 22267 13492 28443 30387 27646 31987 28615 30410 23204 21072 25807 20486 UNK_984.3702@22.736206 12732 8636 7638 8233 6618 4777 8588 4581 6387 9289 8095 11246 8369 13696 9503 UNK_984.4231@13.213133 10659 9829 12953 11503 13671 12778 11224 16523 13171 11804 10012 11583 11952 8930 UNK_987.5389@24.268888 21099 6794 6947 16468 23011 19740 19968 33662 32780 26563 24399 20855 UNK_987.5417@24.449677 66288 13923 27873 UNK_987.5426@24.447248 135539 66535 52506 13923 55321 118124 143311 124833 166507 183657 155199 157121 25508 166607 135721 UNK_988.2791@13.0907345 16753 15540 18399 18366 10039 14458 18826 17547 16605 25236 17726 12776 17964 14901 14665 UNK_988.4016@22.964817 28457 20292 14651 15356 7534 15202 23241 16063 21359 25518 23204 25823 17232 28124 23243 UNK_989.5451@22.75509 19490 46572 58792 50597 17623 36383 30772 40190 29988 16460 26684 23508 46183 17475 27374 UNK_989.5568@24.675844 45352 30710 22523 2949 28771 34381 55284 54496 55619 58318 68082 62047 13315 67932 62903 UNK_989.5576@24.654264 45573 28165 22523 2949 28771 34580 55939 49478 59095 58318 68082 62047 13355 67932 62903 UNK_990.387@22.736164 14979 10694 8458 9193 7789 5030 9323 5259 8175 10884 10090 12584 9254 17093 11476 UNK_991.5709@24.930748 27151 19584 16542 30713 35343 46360 34967 29149 40826 32965 29191 30238 UNK_991.5735@25.20397 127167 95957 95673 45016 91393 130837 142377 148560 192877 214499 166906 166386 57293 174123 177418 UNK_991.5742@25.20851 45232 91393 57293 UNK_992.4306@23.215643 20482 9323 9595 9948 24069 11625 14280 11131 11027 17292 15733 16849 8795 18150 13227 UNK_992.4545@13.087364 24087 24207 25729 25604 14988 31380 29964 26115 33588 34126 28926 27250 25354 27184 20531 UNK_992.4901@23.783602 2251 2938 2053 2245 4724 2383 UNK_992.639@26.009916 27031 24076 38903 25699 13452 56995 40185 68483 41807 39141 38275 40426 30542 31060 30833 UNK_993.1733@4.839766 22355 20083 18288 20694 7735 22505 25792 24029 24829 21133 24184 20765 21169 22213 21081 UNK_993.5876@25.589445 89778 77586 64988 32823 29071 109921 84753 124735 122964 86621 98840 77600 48707 106415 100106 UNK_993.5884@25.598907 89778 77586 64197 32653 28912 48707 106415 UNK_993.5891@25.495129 32411 27815 42938 31499 25101 33556 23207 100408 UNK_994.2958@13.090786 19155 20295 27897 23923 11711 29597 32045 26755 33515 30428 25785 21400 22491 25079 20224 UNK_994.4192@22.96078 29682 20795 13175 15810 9100 13728 22585 16014 18322 25616 23882 24958 15832 27927 22904 UNK_994.6577@26.818138 54875 57574 108601 72574 29003 149486 90146 184744 104366 93514 86806 88252 58450 60956 58947 UNK_995.5321@23.473076 51311 UNK_995.5331@23.257486 32496 45176 73195 70718 28208 83052 49531 93639 74874 52174 56627 36070 63566 43605 UNK_995.6022@26.28297 31294 18694 28558 5631 69589 40341 40205 33201 44916 34793 14502 26629 30308 UNK_995.6029@26.08406 54723 UNK_996.6177@22.14705 18317 7099 3897 4119 6602 10743 16176 12021 7863 14825 16891 10180 3490 13704 11676 UNK_997.5464@23.500021 62617 117528 108473 129894 37398 129645 79103 113662 87789 65045 65155 57503 130729 46435 61370 UNK_998.4433@23.215515 15328 6696 6220 20372 7396 12071 9307 9813 14189 12444 14482 5540 16129 10127 URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)- 5534 7821 11284 2792 5877 URATE (CAS# 69-93-2); (M-H)- 1482589 697982 532189 401535 1112210 954455 1859117 854212 920370 1041108 1269842 965308 96622 1188503 1062257 URIDINE (CAS# 58-96-8); (M+CL)- 1658948 902829 1644345 1274019 1617324 1337765 1680414 1430252 2278848 1975459 1867146 1070465 975613 1386417 1383498 URIDINE (CAS# 58-96-8); (M+HCOO)- 32719 37299 34029 36298 39566 39501 48270 36078 52799 50562 37429 48091 40670 URIDINE (CAS# 58-96-8); (M-H)- 208434 168217 218389 190747 196250 184052 228755 192907 353542 264346 283634 177859 160156 239757 214353 URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)- 20415 16508 15590 23926 13800 21775 URSODIOL (CAS# 128-13-2); (M+HCOO)- 2513 10360 6172 1409 6332 13589 7680 URSODIOL (CAS# 128-13-2); (M-H)- 6658 108532 14137 27496 107103 40750 5983 VALINE (CAS# 72-18-4); (M-H)- 3811 1836 XANTHINE (CAS# 69-89-6); (M-H)- 1255177 246538 1047579 478039 157834 1100486 939769 1536450 1392175 808120 967147 421697 1075566 889117 689870 XANTHOSINE (CAS# 146-80-5); (M-H)- 31173 21069 83384 23272 49927 17356 25337 46852 XYLOSE (CAS# 58-86-6); (M+HCOO)- 415530 219451 298257 335721 12710 28676 59166 ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)- 1239309 1203315 1330137 1245168 830519 1345946 1296813 1274004 1514674 1351109 1307200 1184451 1245548 1317596 1212306 ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)- 3004808 3021564 3260798 3123528 2056407 3418841 3261840 3196678 3718003 3245211 3255871 2944483 3168536 3282125 2978874 metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type (S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR L-MIMOSINE (CAS# 500-44-7); (M-H)- 198.066 0.696 440473 (S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)- 130.0634 4.314 47 (S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)- 158.0331 0.918 1149667 1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)- 356.2929 22.698 5283468 10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)- 188.1395 13.628 6991989 11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)- 346.2135 15.508 440707 11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)- 346.213 15.471 440707 16:0 LYSO PC (CAS# 17364-16-8); (M+CL)- 495.3355 22.231 460602 16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)- 495.3335 22.216 460602 16:0-18:0 PC (CAS# 59403-51-9); (M+CL)- 761.5877 25.545 18631368 16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)- 761.5917 25.719 18631368 17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+CL)- 330.2225 17.972 6238 18:0 LYSO-PE (CAS# 69747-55-3); (M-H)- 481.319 22.654 9547068 2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+CL)- 267.0962 1.81 187790 2'-DEOXYINOSINE (CAS# 890-38-0); (M-H)- 252.084 2.075 65058 2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)- 118.0633 3.526 853180 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M-H)- 150.035 3.382 11427 2-HYDROXYBUTYRATE (CAS# ); (M-H)- 104.0479 1.752 11266 2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)- 146.0583 3.601 12046 2-METHYLMALEATE (CAS# 498-23-7); (M-H)- 130.0269 2.385 643798 20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)- 551.3965 22.93 24779473 24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)- 814.6908 28.177 44260127 3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)- 182.0578 3.841 9378 3-(4-HYDROXYPHENYL)PYRUVATE (CAS# 156-39-8 ); (M-H)- 180.0423 8.446 979 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)- 162.0521 1.641 1662 3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)- 152.0472 8.475 12122 3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)- 146.0583 3.591 12284 3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)- 160.0737 5.737 12292 3-NITRO-L-TYROSINE (CAS# 621-44-3); (M-H)- 226.0592 2.849 65124 3-SULFINO-L-ALANINE (CAS# 1115-65-7); (M-H)- 153.0082 0.681 109 3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M-H)- 132.0527 0.911 111 3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+CL)-[-H2O] 318.2586 20.646 92787 4-COUMARATE (CAS# 501-98-4); (M-H)- 164.0473 7.004 637542 4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M-H)- 189.0422 4.964 3845 4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)- 138.0307 4.12 135 4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)- 130.0631 4.719 70 4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)- 130.0631 4.719 70 4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)- 167.0219 8.403 101532566 4-NITROPHENOL (CAS# 100-02-7); (M-H)- 139.0268 7.088 980 4-PYRIDOXATE (CAS# 82-82-6); (M-H)- 183.0529 1.907 6723 5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)- 251.0998 2.538 439182 5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)- 297.0898 4.548 439176 5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)- 297.0899 4.55 439176 5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)- 117.0782 0.968 138 5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M-H)- 361.1105 12.368 119560 5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)- 220.0834 1.801 439280 5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)- 459.183 3.846 9825434 5-OXOPROLINE (CAS# 4042-36-8); (M-H)- 129.0423 1.209 7405 5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)- 100.0533 1.929 10953 6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)- 160.0737 5.737 385 ACETOACETATE (CAS# 541-50-4); (M-H)- 102.0324 2.551 96 ADENOSINE (CAS# 58-61-7); (M+CL)- 267.0962 1.81 60961 ADENOSINE (CAS# 58-61-7); (M+HCOO)- 267.0971 1.814 60961 ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+ 347.0609 0.969 6083 ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M-H)- 347.0634 0.966 6083 ADIPIC ACID (CAS# 124-04-9 ); (M-H)- 146.0583 3.591 196 ALDOSTERONE (CAS# 52-39-1); (M+CL)- 360.1922 12.832 5839 ALDOSTERONE (CAS# 52-39-1); (M+HCOO)- 360.1911 12.45 5839 ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O] 180.0638 1.636 439507 ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H)- 104.0479 1.752 440873 ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M-H)- 146.0216 0.926 51 ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)- 278.2228 22.885 5280934 ARACHIDIC ACID (CAS# 506-30-9); (M-H)- 312.3036 23.62 10467 ARACHIDONATE (CAS# 506-32-1); (M-H)- 304.2407 22.726 444899 ASPARAGINE (CAS# 70-47-3); (M-H)- 132.0527 0.911 6267 ASPIRIN (CAS# 50-78-2); (M-H)- 180.0423 8.446 2244 AZELAIC ACID (CAS# 123-99-9); (M-H)- 188.1051 10.802 2266 BEHENIC ACID (CAS# 112-85-6); (M-H)- 340.3345 24.131 8215 BENZOATE (CAS# 65-85-0); (M-H)- 122.0365 8.385 243 BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M-H)- 240.1204 0.647 112072 BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O] 342.1146 0.71 439186 BETA-MALTOSE (CAS# 69-79-4); (M+CL)- 342.1139 0.725 439186 BIOTIN (CAS# 58-85-5); (M-H)- 244.0886 6.343 11966127 BOC-LYS-OH (CAS# 13734-28-6); (M-H)- 246.1589 4.788 2733284 BOC-SER-OH (CAS# 3262-72-4); (M-H)- 205.0952 6.9 98766 C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+CL)- 643.5053 23.321 46891735 C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+HCOO)- 643.4974 22.985 46891735 CAPRYLIC ACID (CAS# 124-07-2); (M-H)- 144.115 10.152 379 CATECHOL (CAS# 120-80-9); (M-H)- 110.0372 2.489 289 CELLOBIOSE (CAS# 528-50-7); (M+CL)- 342.1139 0.742 294 CHOLATE (CAS# 81-25-4); (2M-H)- 408.2854 20.406 221493 CHOLATE (CAS# 81-25-4); (M+CL)- 408.2895 20.509 221493 CHOLATE (CAS# 81-25-4); (M-H)- 408.2879 20.405 221493 CINNAMIC ACID (CAS# 140-10-3); (M-H)- 148.0525 11.599 444539 CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)- 310.2879 23.284 5282768 CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)- 282.2566 22.955 5282761 CIS-ZEATIN (CAS# 1637-39-4); (M+CL)- 219.1124 3.945 688597 CIS-ZEATIN (CAS# 1637-39-4); (M-H)- 219.1125 3.944 688597 CITRAMALATE (CAS# 2306-22-1); (M-H)- 148.0361 1.421 441696 CITRATE (CAS# 77-92-9); (M-H)- 192.0269 1.041 311 CITRULLINE (CAS# 372-75-8); (M-H)- 175.0945 0.675 9750 CORTICOSTERONE (CAS# 50-22-6); (M+CL)- 346.2128 15.473 5753 CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)- 346.213 15.471 5753 CORTISOL 21-ACETATE (CAS# 50-03-3); (M+CL)- 404.2222 16.066 5744 CORTISOL 21-ACETATE (CAS# 50-03-3); (M+HCOO)- 404.2238 16.033 5744 CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)- 142.0995 10.802 15091 CYTIDINE (CAS# 65-46-3); (M+CL)- 243.084 0.711 6175 D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)- 150.0515 0.758 66308 D-LYXOSE (CAS# 1114-34-7); (M+CL)- 150.0515 0.706 65550 D-LYXOSE (CAS# 1114-34-7); (M+HCOO)- 150.0515 0.736 65550 D-LYXOSE (CAS# 1114-34-7); (M-H)- 150.0514 0.664 65550 D-ORNITHINE (CAS# 348-66-3); (M-H)- 132.0887 0.629 6262 D-PSICOSE (CAS# 551-68-8); (M+CL)- 180.0616 0.669 90008 D-TAGATOSE (CAS# 87-81-0); (M+CL)- 180.0633 0.668 90008 DECANOATE (CAS# 334-48-5); (M-H)- 172.146 19.895 2969 DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)- 174.0147 0.659 210328 DEHYDROASCORBATE (CAS# 490-83-5); (M-H)- 174.0161 0.853 210328 DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)- 251.1019 1.817 13730 DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)- 392.2904 21.741 222528 DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)- 392.289 21.749 222528 DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)- 392.2934 21.869 222528 DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)- 227.0892 0.704 13711 DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)- 227.0885 0.976 13711 DEOXYURIDINE (CAS# 951-78-0); (M+CL)- 228.075 1.65 13712 DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)- 228.0738 1.643 13712 DEOXYURIDINE (CAS# 951-78-0); (M-H)- 228.0726 1.647 13712 DGMP (CAS# 902-04-5); (M-H)- 347.064 1.17 6994968 DIACETYL (CAS# 431-03-8); (M+HCOO)- 86.0369 2.07 650 DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)- 328.2412 22.717 445580 DUMP (CAS# 964-26-1); (M-H)- 308.0393 0.988 65063 ELAIDIC ACID (CAS# 112-79-8); (M-H)- 282.2566 22.955 637517 EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)- 480.3461 19.873 115196 EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)- 480.3465 19.873 115196 ERUCIC ACID (CAS# 112-86-7); (M-H)- 338.3192 23.691 5281116 ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)- 132.0418 2.552 11756 FERULATE (CAS# 1135-24-6); (M-H)- 194.0568 8.034 445858 FRUCTOSE (CAS# 57-48-7); (M+CL)- 180.0633 0.668 5984 FRUCTOSE (CAS# 57-48-7); (M+HCOO)- 180.0636 0.644 5984 FUMARATE (CAS# 110-17-8); (M-H)- 116.0117 1.269 444972 GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)- 86.0369 2.07 7302 GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)- 250.0619 0.795 123938 GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)- 278.2228 22.885 5280933 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)- 346.1433 8.559 6466 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)- 346.1444 8.68 6466 GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)- 346.1424 8.558 6466 GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O] 210.0365 0.751 33037 GLUCONIC ACID (CAS# 526-95-4); (M-H)- 196.0569 0.728 10690 GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O] 180.0625 0.778 5793 GLUCOSE (CAS# 50-99-7); (M+CL)- 180.0633 0.668 5793 GLUTAMATE (CAS# 56-86-0); (M-H)- 147.0521 0.712 33032 GLUTAMINE (CAS# 56-85-9); (M-H)- 146.0692 0.649 5961 GLUTARATE (CAS# 110-94-1); (M-H)- 132.0423 2.07 743 GLUTATHIONE (CAS# 27025-41-8); (M-H)- 612.1524 1.379 124886 GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O] 90.031 1.641 79014 GLYCERATE (CAS# 473-81-4); (M-H)- 106.0262 0.712 439194 GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)- 172.0138 0.905 2526 GLYCINE (CAS# 56-40-6); (M-H)- 75.0324 0.647 750 GLYCOCHOLATE (CAS# 475-31-0); (M-H)- 465.3096 18.929 10140 GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M-H)- 433.3182 21.642 115245 GUANINE (CAS# 73-40-5); (M-H)- 151.0502 0.713 764 GUANOSINE (CAS# 118-00-3); (M+CL)- 283.0896 1.824 6802 GUANOSINE 5'-PHOSPHATE (CAS# 85-32-5); (M-H)- 363.0586 0.98 6804 HEPTADECANOATE (CAS# 506-12-7); (M-H)- 270.2561 23.037 10465 HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)- 396.3973 25.721 10469 HEXANOATE (CAS# 142-62-1); (M-H)- 116.0837 5.739 8892 HIPPURATE (CAS# 495-69-2); (M-H)- 179.0582 4.839 464 HOMOVANILLATE (CAS# 306-08-1); (2M-H)- 182.0563 5.742 1738 HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)- 392.2955 22.914 5283820 HYPOXANTHINE (CAS# 68-94-0); (M-H)- 136.0374 1.24 790 IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M-H)- 236.1046 13.085 10444113 INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)- 175.0625 8.454 802 INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M-H)- 203.0585 10.624 803 INOSINE (CAS# 58-63-9); (M+CL)- 268.0833 1.684 6021 INOSINE (CAS# 58-63-9); (M-H)- 268.0812 1.847 6021 INOSINE 5'-DIPHOSPHATE (CAS# 86-04-4); (M-H)- 428.0165 0.857 6831 INOSINE 5'-PHOSPHATE (CAS# 131-99-7); (M-H)- 348.0442 0.996 8582 ISOCITRATE (CAS# 320-77-4); (M-H)- 192.027 0.971 5318532 ISOLEUCINE (CAS# 73-32-5); (M-H)- 131.0937 1.616 6306 ITACONATE (CAS# 97-65-4); (M-H)- 130.0272 1.689 811 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)- 210.1253 13.215 5281166 JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)- 210.126 13.216 5281166 KYNURENINE (CAS# 343-65-7); (M-H)- 208.0828 2.103 161166 L-ARGININE (CAS# 74-79-3); (M-H)- 174.1111 0.642 6322 L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O] 196.0566 0.735 152304 L-GULONATE (CAS# 6322-07-2); (M-H)- 196.0568 0.704 152304 L-HISTIDINE (CAS# 71-00-1); (M-H)- 155.0696 0.647 6274 L-HISTIDINOL (CAS# 4836-52-6); (M-H)- 141.089 0.712 165271 L-RHAMNOSE (CAS# 10030-85-0); (M-H)- 164.067 0.928 25310 L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)- 206.0853 3.661 16217285 L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)- 138.0448 5.4 227 LACTOSE (CAS# 63-42-3); (M+CL)- 342.1139 0.742 440995 LACTOSE (CAS# 63-42-3); (M-H)- 342.1159 0.645 440995 LAURIC ACID (CAS# 143-07-7); (M-H)- 200.1776 21.799 3893 LEUCINE (CAS# 328-39-2); (M-H)- 131.0936 1.619 6106 LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)- 336.2302 20.922 5280492 LIGNOCERIC ACID (CAS# 557-59-5); (M-H)- 368.366 24.8 11197 LINOLEATE (CAS# 60-33-3); (M-H)- 280.2407 22.755 5280450 LITHOCHOLIC ACID (CAS# 434-13-9); (M+HCOO)- 376.2961 22.36 9903 LYSINE (CAS# 56-87-1); (M-H)- 146.1052 0.59 5962 LYSOPHOSPHATIDIC ACID (CAS# 0); (M-H)- 436.2624 25.201 3988 MALATE (CAS# 97-67-6); (M-H)+[-H2O] 134.0214 0.726 222656 MALATE (CAS# 97-67-6); (M-H)- 134.0206 0.76 222656 MALEIC ACID (CAS# 110-16-7); (M-H)- 116.0117 1.089 444266 MALTOSE (CAS# 69-79-4); (M+CL)- 342.1139 0.742 439186 MANDELIC ACID (CAS# 611-71-2); (M-H)- 152.0465 5.921 11914 MELIBIOSE (CAS# 585-99-9); (M+CL)- 342.1139 0.736 440658 METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)- 194.0779 0.921 94214 METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCOO)- 194.0775 0.936 94214 METHYLMALONATE (CAS# 516-05-2); (M-H)- 118.0269 1.341 487 MEVALONIC ACID (CAS# 674-26-0); (M-H)- 148.0726 1.611 439230 MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)- 146.0583 3.591 73917 MYRISTIC ACID (CAS# 544-63-8); (M-H)- 228.2089 22.491 11005 MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)- 226.1932 22.125 5281119 N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)- 221.088 0.702 446101 N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)- 221.088 0.702 53477792 N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)- 246.1006 8.011 439917 N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)- 191.0614 4.096 448580 N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)- 147.0526 0.712 65249 N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)- 131.0578 1.522 88064 N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)- 175.0469 1.004 65065 N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)- 173.105 7.221 75619 N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)- 207.088 7.772 74839 N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)- 221.088 0.702 35717 N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)- 117.0425 0.942 1097 N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)- 309.1053 0.841 439197 N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)- 147.0521 0.712 4376 N-OLEOYLGLYCINE (CAS# 2601-90-3); (2M-H)- 339.2745 22.304 6436908 NERVONIC ACID (CAS# 506-37-6); (M-H)- 366.3507 24.202 5281120 NICOTINATE (CAS# 59-67-6); (M-H)- 123.0317 0.949 938 NONANOATE (CAS# 112-05-0); (M-H)- 158.1305 18.43 8158 NORLEUCINE (CAS# 327-57-1); (M-H)- 131.0936 1.619 21236 OLEIC ACID (CAS# 112-80-1); (M-H)- 282.2566 22.955 445639 OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H)- 216.1722 17.089 79034 OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M-H)- 361.1107 12.368 145900 OPHTHALMIC ACID (CAS# 495-27-2); (M-H)- 289.1257 1.244 7018721 OROTATE (CAS# 65-86-1); (M-H)- 156.0157 0.859 967 OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)- 612.1524 1.379 65359 PALATINOSE (CAS# 343336-76-5); (M+CL)- 342.1139 0.742 439559 PALMITATE (CAS# 57-10-3); (M-H)- 256.2406 22.885 985 PALMITOLEIC ACID (CAS# 373-49-9); (M-H)- 254.2253 22.609 445638 PANTOTHENATE (CAS# 79-83-4); (M+CL)- 219.1109 3.291 6613 PANTOTHENATE (CAS# 79-83-4); (M-H)- 219.1108 3.293 6613 PENTANOATE (CAS# 109-52-4); (M+HCOO)- 102.0673 2.191 7991 PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)- 136.0523 3.841 999 PHENYL ACETATE (CAS# 122-79-2); (M-H)- 136.0525 3.889 999 PHENYLALANINE (CAS# 63-91-2); (M-H)- 165.0789 2.543 6140 PHENYLPYRUVATE (CAS# 156-06-9); (M-H)- 164.0482 5.337 997 PHYTANATE (CAS# 14721-66-5); (M-H)- 312.3018 23.293 10380830 PICOLINIC ACID (CAS# 98-98-6); (M-H)- 123.0316 0.968 1018 PINITOL (CAS# 10284-63-6); (M+CL)- 194.0779 0.921 164619 PROPENOATE (CAS# 79-10-7); (M-H)- 72.0216 1.043 6581 PROSTAGLANDIN E2 (CAS# 363-24-6); (M+CL)- 352.2237 16.593 5280360 PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)- 352.2224 17.023 5280360 PTERIN (CAS# 2236-60-4); (M-H)- 163.051 1.74 73000 PURINE (CAS# 120-73-0); (M-H)- 120.0424 1.51 1044 PYRUVATE (CAS# 127-17-3); (M-H)- 88.016 0.701 1060 RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+HCOO)- 302.2469 22.165 79050 RAFFINOSE (CAS# 512-69-6); (M+CL)- 504.1659 0.707 439242 RETINOATE (CAS# 302-79-4); (M-H)- 300.2115 22.312 444795 RIBOSE (CAS# 50-69-1); (M+CL)- 150.0525 0.716 5779 RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)- 230.0201 1.073 439167 S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)- 384.1181 1.555 439155 SALICYLATE (CAS# 69-72-7); (M-H)- 138.0318 8.272 338 SALICYLURIC ACID (CAS# 487-54-7); (M-H)- 195.0535 6.267 10253 SEBACIC ACID (CAS# 111-20-6); (M-H)- 202.1207 12.851 5192 SERINE (CAS# 56-45-1); (M-H)- 105.0427 0.647 617 SHIKIMATE (CAS# 138-59-0); (M-H)- 174.0529 0.835 8742 SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+CL)- 257.1012 0.671 439285 SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+HCOO)- 257.1029 0.833 439285 STACHYOSE (CAS# 54261-98-2); (M+CL)- 666.2202 0.71 439531 STEARATE (CAS# 57-11-4); (M-H)- 284.2721 23.218 5281 SUBERIC ACID (CAS# 505-48-6); (M-H)- 174.0892 8.309 10457 SUCCINATE (CAS# 110-15-6); (M-H)- 118.0269 1.334 1110 SUCROSE (CAS# 57-50-1); (M+CL)- 342.1139 0.733 5988 TAURINE (CAS# 107-35-7); (M-H)- 125.0147 0.651 1123 THEOPHYLLINE (CAS# 58-55-9); (M-H)- 180.0647 4.426 2153 THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O] 119.0572 0.712 6288 THROMBOXANE B2 (CAS# 54397-85-2); (M-H)- 370.2352 16.556 5283137 THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O] 370.2329 17.023 5283137 THYMIDINE (CAS# 50-89-5); (M+CL)- 242.0901 2.708 5789 THYMIDINE (CAS# 50-89-5); (M+HCOO)- 242.0901 2.748 5789 THYMIDINE (CAS# 50-89-5); (M-H)- 242.0902 2.78 5789 THYROXINE (CAS# 51-48-9); (M-H)- 776.6859 16.28 5819 TRANS-ACONITATE (CAS# 4023-65-8); (M-H)- 174.0164 1.065 444212 TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)- 282.2566 22.955 5281127 TRIACONTANOIC ACID (CAS# 506-50-3); (M-H)- 452.4592 28.843 10471 TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)- 176.032 1.278 14925 TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O] 176.0307 1.252 14925 TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)- 354.35 24.438 17085 TRIDECANOIC ACID (CAS# 638-53-9); (M-H)- 214.1928 22.197 12530 TRYPTOPHAN (CAS# 73-22-3); (2M-H)- 204.0885 3.661 6305 TRYPTOPHAN (CAS# 73-22-3); (M-H)- 204.0892 3.662 6305 TYROSINE (CAS# 60-18-4); (M-H)- 181.0733 1.365 6057 UDP-GLUCOSE (CAS# 133-89-1); (M-H)- 566.0518 0.967 53477679 UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)- 607.0803 0.919 23724461 UNK_104.0474@1.672202 104.0474 1.672 UNK_112.0149@0.91162467 112.0149 0.912 UNK_115.9956@0.55100024 115.9956 0.551 UNK_116.0841@5.128883 116.0841 5.129 UNK_118.0269@1.3328813 118.0269 1.333 UNK_118.0633@3.5269675 118.0633 3.527 UNK_120.0421@0.7134587 120.0421 0.713 UNK_1204.4072@8.098554 1204.4072 8.099 UNK_122.0365@8.060406 122.0365 8.06 UNK_1226.3903@8.098975 1226.3903 8.099 UNK_1248.3702@8.097975 1248.3702 8.098 UNK_126.1048@10.804403 126.1048 10.804 UNK_128.1203@12.0437565 128.1203 12.044 UNK_129.0422@0.9159206 129.0422 0.916 UNK_130.0256@1.0882291 130.0256 1.088 UNK_130.0634@4.4749684 130.0634 4.475 UNK_131.0578@1.5228019 131.0578 1.523 UNK_1319.4353@8.36635 1319.4353 8.366 UNK_132.0478@0.5641671 132.0478 0.564 UNK_132.0786@6.352495 132.0786 6.352 UNK_1322.6014@9.035467 1322.6014 9.035 UNK_133.0527@4.8386116 133.0527 4.839 UNK_133.9309@22.607805 133.9309 22.608 UNK_135.0543@3.944836 135.0543 3.945 UNK_135.0683@4.8380117 135.0683 4.838 UNK_136.0356@0.6860838 136.0356 0.686 UNK_138.0318@8.273656 138.0318 8.274 UNK_138.0448@5.4006147 138.0448 5.401 UNK_139.1362@14.323404 139.1362 14.323 UNK_141.1156@12.034545 141.1156 12.035 UNK_1423.6528@8.969335 1423.6528 8.969 UNK_144.1152@10.758854 144.1152 10.759 UNK_145.0372@0.74425024 145.0372 0.744 UNK_145.0529@7.741457 145.0529 7.741 UNK_145.0732@2.5470057 145.0732 2.547 UNK_148.0369@1.0262284 148.0369 1.026 UNK_150.0507@0.70584047 150.0507 0.706 UNK_152.0334@1.3147212 152.0334 1.315 UNK_1538.6696@9.470426 1538.6696 9.47 UNK_154.0266@4.30781 154.0266 4.308 UNK_155.0689@0.6925337 155.0689 0.693 UNK_155.1309@12.038439 155.1309 12.038 UNK_1560.6542@9.473399 1560.6542 9.473 UNK_157.1468@12.190438 157.1468 12.19 UNK_1574.5009@10.805615 1574.5009 10.806 UNK_158.0412@0.70735806 158.0412 0.707 UNK_158.1308@12.808305 158.1308 12.808 UNK_1580.5126@10.809406 1580.5126 10.809 UNK_159.9858@0.55720025 159.9858 0.557 UNK_160.0737@5.735254 160.0737 5.735 UNK_161.0507@1.886101 161.0507 1.886 UNK_162.0529@1.6126422 162.0529 1.613 UNK_162.05@0.73238117 162.05 0.732 UNK_1620.5277@8.345769 1620.5277 8.346 UNK_1639.721@9.237735 1639.721 9.238 UNK_1642.5107@8.339872 1642.5107 8.34 UNK_165.0789@2.5430608 165.0789 2.543 UNK_1661.7014@9.237314 1661.7014 9.237 UNK_1677.67@9.238682 1677.67 9.239 UNK_168.0255@0.7200875 168.0255 0.72 UNK_168.0279@1.0468808 168.0279 1.047 UNK_1683.6837@9.241577 1683.6837 9.242 UNK_169.11@10.35271 169.11 10.353 UNK_1699.6501@9.239052 1699.6501 9.239 UNK_170.0941@10.804927 170.0941 10.805 UNK_1705.6663@9.238525 1705.6663 9.239 UNK_172.0735@4.390347 172.0735 4.39 UNK_1721.631@9.238999 1721.631 9.239 UNK_1727.6469@9.238156 1727.6469 9.238 UNK_173.105@7.220816 173.105 7.221 UNK_173.9989@2.9406462 173.9989 2.941 UNK_174.0167@0.973321 174.0167 0.973 UNK_174.0892@8.310816 174.0892 8.311 UNK_174.1256@12.044191 174.1256 12.044 UNK_1743.6138@9.243365 1743.6138 9.243 UNK_1749.6274@9.242105 1749.6274 9.242 UNK_175.9635@0.5542611 175.9635 0.554 UNK_1763.1989@22.99066 1763.1989 22.991 UNK_1779.603@9.239105 1779.603 9.239 UNK_1784.5808@10.803617 1784.5808 10.804 UNK_1785.6042@9.241578 1785.6042 9.242 UNK_179.0585@4.8382916 179.0585 4.838 UNK_1795.8208@7.732969 1795.8208 7.733 UNK_180.0633@2.5503244 180.0633 2.55 UNK_180.0646@4.3783836 180.0646 4.378 UNK_1800.5515@10.805142 1800.5515 10.805 UNK_1806.5685@10.805562 1806.5685 10.806 UNK_181.0726@1.2962005 181.0726 1.296 UNK_1817.6064@9.243736 1817.6064 9.244 UNK_1817.8018@7.7339687 1817.8018 7.734 UNK_182.058@3.8308082 182.058 3.831 UNK_183.1258@13.089892 183.1258 13.09 UNK_1839.781@7.732179 1839.781 7.732 UNK_186.0887@6.434085 186.0887 6.434 UNK_186.162@16.656467 186.162 16.656 UNK_1861.7623@7.733073 1861.7623 7.733 UNK_188.015@4.4988437 188.015 4.499 UNK_188.0473@12.635739 188.0473 12.636 UNK_188.0514@0.9128902 188.0514 0.913 UNK_188.0773@0.7278576 188.0773 0.728 UNK_188.1051@10.801763 188.1051 10.802 UNK_1883.7423@7.7339687 1883.7423 7.734 UNK_189.9938@2.4729242 189.9938 2.473 UNK_190.0242@8.368341 190.0242 8.368 UNK_190.0464@1.3854269 190.0464 1.385 UNK_190.0837@4.9602413 190.0837 4.96 UNK_191.061@4.0971293 191.061 4.097 UNK_192.0249@0.75068057 192.0249 0.751 UNK_192.027@1.041081 192.027 1.041 UNK_192.1154@13.151144 192.1154 13.151 UNK_193.0734@5.6604085 193.0734 5.66 UNK_193.9434@1.7718823 193.9434 1.772 UNK_194.0309@0.9688509 194.0309 0.969 UNK_194.094@15.195963 194.094 15.196 UNK_195.0536@6.272273 195.0536 6.272 UNK_196.0594@4.1974244 196.0594 4.197 UNK_196.0715@8.314161 196.0715 8.314 UNK_196.8158@0.71673757 196.8158 0.717 UNK_198.05@4.4650087 198.05 4.465 UNK_198.1005@9.576672 198.1005 9.577 UNK_198.1251@13.668262 198.1251 13.668 UNK_198.1355@6.8756876 198.1355 6.876 UNK_199.0814@1.3628737 199.0814 1.363 UNK_200.0144@6.907856 200.0144 6.908 UNK_200.044@0.7063338 200.044 0.706 UNK_200.079@1.6510451 200.079 1.651 UNK_200.1051@8.670039 200.1051 8.67 UNK_200.1528@14.8961115 200.1528 14.896 UNK_200.1774@21.799116 200.1774 21.799 UNK_201.1012@3.9441292 201.1012 3.944 UNK_201.1364@12.037967 201.1364 12.038 UNK_202.0301@8.154661 202.0301 8.155 UNK_202.0456@1.000801 202.0456 1.001 UNK_202.1207@12.868368 202.1207 12.868 UNK_204.0093@4.511492 204.0093 4.511 UNK_204.0572@1.5356418 204.0572 1.536 UNK_204.0889@3.661968 204.0889 3.662 UNK_204.0995@5.410653 204.0995 5.411 UNK_205.074@8.326954 205.074 8.327 UNK_206.0191@8.2726145 206.0191 8.273 UNK_206.0323@5.4036813 206.0323 5.404 UNK_207.014@8.388054 207.014 8.388 UNK_207.0882@7.764615 207.0882 7.765 UNK_207.1235@14.327303 207.1235 14.327 UNK_208.0667@3.669401 208.0667 3.669 UNK_208.0828@1.9118379 208.0828 1.912 UNK_210.0751@4.9768806 210.0751 4.977 UNK_210.0873@10.803403 210.0873 10.803 UNK_210.126@13.216012 210.126 13.216 UNK_213.0099@3.2500868 213.0099 3.25 UNK_214.1201@10.918336 214.1201 10.918 UNK_214.897@0.8802232 214.897 0.88 UNK_216.1363@14.948372 216.1363 14.948 UNK_216.1468@3.2950656 216.1468 3.295 UNK_218.0359@0.6730804 218.0359 0.673 UNK_218.1157@9.048368 218.1157 9.048 UNK_219.1107@3.2920866 219.1107 3.292 UNK_219.1124@3.9442892 219.1124 3.944 UNK_222.0989@3.662288 222.0989 3.662 UNK_222.1348@14.929903 222.1348 14.93 UNK_223.0335@5.6147494 223.0335 5.615 UNK_223.0394@2.5414526 223.0394 2.541 UNK_224.1029@13.018032 224.1029 13.018 UNK_224.1162@11.688303 224.1162 11.688 UNK_225.1341@12.315426 225.1341 12.315 UNK_225.1481@11.154416 225.1481 11.154 UNK_226.0726@3.663208 226.0726 3.663 UNK_226.1116@10.588712 226.1116 10.589 UNK_226.132@13.088871 226.132 13.089 UNK_226.1932@22.125376 226.1932 22.125 UNK_227.9405@5.3988366 227.9405 5.399 UNK_228.0748@1.673419 228.0748 1.673 UNK_228.2093@22.491707 228.2093 22.492 UNK_229.0417@3.6746347 229.0417 3.675 UNK_230.0536@0.7068755 230.0536 0.707 UNK_230.0547@0.8905917 230.0547 0.891 UNK_230.0613@12.387374 230.0613 12.387 UNK_230.0766@3.5370095 230.0766 3.537 UNK_230.152@16.582922 230.152 16.583 UNK_230.1626@3.650452 230.1626 3.65 UNK_231.0198@4.5582247 231.0198 4.558 UNK_232.0041@3.8654745 232.0041 3.865 UNK_232.1312@10.817896 232.1312 10.818 UNK_233.0661@2.5559173 233.0661 2.556 UNK_234.0826@0.7257733 234.0826 0.726 UNK_234.1622@19.763008 234.1622 19.763 UNK_237.0172@4.9029727 237.0172 4.903 UNK_238.1186@14.962077 238.1186 14.962 UNK_238.1933@21.900408 238.1933 21.9 UNK_240.1105@6.6735287 240.1105 6.674 UNK_240.1727@19.728771 240.1727 19.729 UNK_241.0046@5.0772524 241.0046 5.077 UNK_242.0902@2.7505255 242.0902 2.751 UNK_242.1224@12.041124 242.1224 12.041 UNK_242.1242@9.680705 242.1242 9.681 UNK_242.1268@6.977031 242.1268 6.977 UNK_242.1883@20.89114 242.1883 20.891 UNK_242.2246@22.693005 242.2246 22.693 UNK_243.0189@5.3295984 243.0189 5.33 UNK_243.1836@15.875825 243.1836 15.876 UNK_244.0698@1.3708415 244.0698 1.371 UNK_244.0704@1.447249 244.0704 1.447 UNK_244.1671@17.981783 244.1671 17.982 UNK_246.02@4.669139 246.02 4.669 UNK_246.1006@8.010217 246.1006 8.01 UNK_246.1473@12.841327 246.1473 12.841 UNK_247.0458@4.917652 247.0458 4.918 UNK_248.0355@4.117793 248.0355 4.118 UNK_248.0522@4.424972 248.0522 4.425 UNK_248.0952@0.7154292 248.0952 0.715 UNK_249.9678@13.089427 249.9678 13.089 UNK_250.1931@22.13689 250.1931 22.137 UNK_250.9477@1.8795629 250.9477 1.88 UNK_251.1143@14.32332 251.1143 14.323 UNK_251.114@14.452937 251.114 14.453 UNK_251.1176@6.458277 251.1176 6.458 UNK_251.1524@21.140282 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23.174 UNK_525.2871@22.153893 525.2871 22.154 UNK_525.3438@22.496126 525.3438 22.496 UNK_526.1636@12.439029 526.1636 12.439 UNK_526.1757@22.608736 526.1757 22.609 UNK_526.228@13.200745 526.228 13.201 UNK_526.3273@21.195625 526.3273 21.196 UNK_526.3507@17.993902 526.3507 17.994 UNK_526.352@19.873165 526.352 19.873 UNK_527.3059@22.268154 527.3059 22.268 UNK_527.317@22.063385 527.317 22.063 UNK_527.3278@22.416204 527.3278 22.416 UNK_527.3595@22.59384 527.3595 22.594 UNK_528.0797@0.7897147 528.0797 0.79 UNK_528.1904@22.89399 528.1904 22.894 UNK_528.2032@21.669285 528.2032 21.669 UNK_529.1845@19.942896 529.1845 19.943 UNK_529.1851@20.392134 529.1851 20.392 UNK_529.2333@13.880914 529.2333 13.881 UNK_529.3195@22.15793 529.3195 22.158 UNK_530.0211@13.0711155 530.0211 13.071 UNK_530.0421@7.1365895 530.0421 7.137 UNK_530.2132@20.208208 530.2132 20.208 UNK_530.3383@22.091654 530.3383 22.092 UNK_530.4318@22.610403 530.4318 22.61 UNK_531.2825@24.639977 531.2825 24.64 UNK_531.2846@14.800474 531.2846 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992.4306 23.216 UNK_992.4545@13.087364 992.4545 13.087 UNK_992.4901@23.783602 992.4901 23.784 UNK_992.639@26.009916 992.639 26.01 UNK_993.1733@4.839766 993.1733 4.84 UNK_993.5876@25.589445 993.5876 25.589 UNK_993.5884@25.598907 993.5884 25.599 UNK_993.5891@25.495129 993.5891 25.495 UNK_994.2958@13.090786 994.2958 13.091 UNK_994.4192@22.96078 994.4192 22.961 UNK_994.6577@26.818138 994.6577 26.818 UNK_995.5321@23.473076 995.5321 23.473 UNK_995.5331@23.257486 995.5331 23.257 UNK_995.6022@26.28297 995.6022 26.283 UNK_995.6029@26.08406 995.6029 26.084 UNK_996.6177@22.14705 996.6177 22.147 UNK_997.5464@23.500021 997.5464 23.5 UNK_998.4433@23.215515 998.4433 23.216 URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)- 156.0166 0.863 6971263 URATE (CAS# 69-93-2); (M-H)- 168.0279 1.047 1175 URIDINE (CAS# 58-96-8); (M+CL)- 244.0698 1.37 6029 URIDINE (CAS# 58-96-8); (M+HCOO)- 244.0704 1.376 6029 URIDINE (CAS# 58-96-8); (M-H)- 244.0697 1.373 6029 URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)- 324.0342 0.887 6030 URSODIOL (CAS# 128-13-2); (M+HCOO)- 392.2932 21.63 31401 URSODIOL (CAS# 128-13-2); (M-H)- 392.2934 21.748 31401 VALINE (CAS# 72-18-4); (M-H)- 117.0782 0.968 6287 XANTHINE (CAS# 69-89-6); (M-H)- 152.0336 1.315 1188 XANTHOSINE (CAS# 146-80-5); (M-H)- 284.0783 2.319 64959 XYLOSE (CAS# 58-86-6); (M+HCOO)- 150.0515 0.789 135191 ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)- 219.1124 3.945 449093 ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)- 219.1125 3.944 449093