metabolite_name Mouse 1 Mouse 2 Mouse 3 Mouse 4 Mouse 5 Mouse 6 Mouse 7 Mouse 8 Mouse 9 Mouse 10 Mouse 11 Mouse 12 Mouse 13 Mouse 14 Mouse 15 Mouse 16 Mouse 17 Mouse 18 Mouse 19 Mouse 20 Mouse 21 Mouse 22 Mouse 23 Mouse 24 Mouse 25 Mouse 26 Mouse 27 Mouse 28 Mouse 29 Mouse 30 Mouse 31 Mouse 32 1-(3-aminopropyl)-2-pyrrolidone 4026304 3870828 4489289 4073948 2807788 3893682 6354350 5749303 22282832 12617734 11552409 16363074 9728529 11808040 8945472 8567397 25578068 21600720 18027348 28729502 13217704 18331684 24955784 14516940 18842422 23183056 19501320 16467788 8838926 13613400 13684727 12855050 1-arachidonoyl-GPC (20:4)* 255911200 244617008 325477984 267142432 155070832 214197440 200724736 191349360 249383760 239107920 349699936 139026272 213707104 124831024 203492496 179986848 323777472 317649664 210980816 282984864 160495936 303192064 198416192 166763168 366278080 202921440 307899040 209497568 346752416 216589408 290906144 267729184 1-linolenoyl-GPC (18:3)* 32123852 49063988 61919936 34837772 41214672 36627544 41057012 24032544 31219040 33713888 30387652 25395816 32829936 25068752 40064136 47465360 29599524 33529970 19063606 19805654 19777120 18134688 18409364 18334328 26911636 24615984 26456468 42949632 26681228 28076020 28911084 26786856 1-linoleoyl-GPC (18:2) 1612661248 1552934784 1897363712 1309671936 1117451776 1279521280 1053538368 1188592256 1263435776 965556480 1305213952 678513792 1159857664 671229568 1275918848 1174095616 1177944320 1367935232 814455360 1171810944 712817344 980950016 776759488 624416960 1077810432 736758848 1013121344 1059358592 1100138368 862659072 1231960192 1101202176 1-methylimidazoleacetate 6795677 7813516 6716393 6559393 8690327 8031973 7317917 7732357 7277600 5641927 11018879 7782075 7313997 9269691 10401222 8096311 8927664 7598927 7748409 6864994 6591135 6042668 6309120 6776318 6110434 6736023 8766908 7119047 7496995 5599370 5930193 7325044 1-methylnicotinamide 820284 777348 1404197 502397 1545478 1311298 643528 989717 867839 2284147 569833 3128862 2215307 2151606 1897167 768263 410453 854464 523650 541068 685635 767472 1411047 293073 968564 560534 1-oleoyl-GPC (18:1) 559804928 763968704 855365248 394012544 314661728 349928384 297809920 232289520 304093280 224778688 400963296 137610928 229711776 125755680 292930912 261134496 337041600 351184000 175041440 390105248 154015440 285416352 199215936 163887008 402078912 227277472 343407200 266722304 334906208 192187376 361726944 325878304 1-palmitoleoyl-GPC (16:1)* 54732840 79541456 121315448 51827240 71214560 55263792 58127320 38437936 38941376 44125824 51950600 27333542 36882180 33062300 44705936 43748644 54993516 48588772 40952124 45904456 47992668 47196600 35986936 42963956 59256288 42397532 52748340 39214252 52569104 47015392 49769904 52870336 1-palmitoyl-GPC (16:0) 1921893376 1967918208 2042512000 1229383168 1307519744 1207459712 1197895808 867449344 1385682432 1065555008 1094446208 737939904 1057019840 942201152 1216323584 1277735296 1670131584 1640890496 1186454144 1545598336 1122522368 1477196032 1297254528 1214646528 1577271552 1367473792 1573113344 1405031168 1504998272 1307911680 1556600320 1601380864 1-stearoyl-GPC (18:0) 1419182720 1255733888 1480363520 910610688 874343360 932612800 1047659520 870809472 1301464320 992908096 1222953472 674038720 1009239296 723188992 1159726208 1054378816 1336525568 1293264256 751736448 1096387968 735020160 950122816 850392768 694386944 1305159040 983426432 1298438912 1272627200 1343964288 943478400 1328645120 1366449536 11-dehydrocorticosterone 77822 259999 281542 154200 232348 554364 196920 195113 772403 174224 1142478 925158 511312 325487 279502 508385 387804 318221 77201 533279 214581 363309 551756 354370 82566 2'-deoxycytidine 11766110 11823644 10642354 11219583 11218902 11797543 11022486 12219611 10873188 9389298 12137250 12313115 13058890 12689084 10925655 11211222 11236345 11136565 11045404 13673764 10520295 12757443 12222033 13214677 11152804 12765647 12295641 9573705 10304589 10650859 10447482 10342820 2-aminoadipate 32632652 29738546 39596744 38608280 30673376 36258504 31709126 38616172 30515992 40977888 31437554 28817862 35176288 35618864 47225800 48111852 30956366 33286956 31991414 37415560 41038664 41539388 32620740 36142992 32818744 36190340 36896892 34226848 30455040 31277040 29088780 36795436 2-aminobutyrate 17240900 16003530 20753432 16542318 26843818 23459328 19049912 22549560 18239348 15231509 15633192 16778436 14836330 17571672 21205474 22514598 20569682 19483792 24004414 22529130 20022364 20856428 23148572 23369194 18300792 19784564 20581896 20070868 18594128 18380476 19392192 18630216 2-aminoheptanoate 2106194 2039690 2128731 2155743 2005975 2582321 1846113 2144512 2550726 2050404 2512959 1694314 2283623 2234637 3229716 3062096 1516360 2303832 1800237 2230088 1761416 1445685 1399310 1303100 1522989 1268739 1945937 2131038 1924428 1481232 1856714 2508796 2-aminooctanoate 4916833 5549724 7136259 8103648 6250092 6708561 7095821 5255008 7944658 9778870 10445955 6846175 11788071 9763524 9283949 8965288 8198237 12115377 11723863 11797201 11550628 11395282 10243815 10308175 9226452 10675979 7220350 5417344 11764301 8196492 8580677 9989527 2-methylbutyrylcarnitine (C5) 6776761 8264252 6872683 6556929 10531592 10851502 10315692 13889080 8282098 8606572 6631094 9660885 11243726 16456310 8595986 9603187 8204735 6965657 6867036 8803817 7767178 9262919 7509588 8684501 7812837 9041679 7321029 6520390 6822477 6107834 6270881 8118154 2-methylbutyrylglycine 621053 1562895 1131518 1157630 824722 892913 1284932 532829 1715468 1395769 658957 519610 937215 699089 593480 475543 1101788 1017151 1275956 1016985 892152 1304246 1098100 1108366 976218 1032208 1175788 551967 458158 1101840 769063 762183 2-methylmalonyl carnitine 82204 341320 127681 141197 166193 124530 87354 161561 210651 141209 113071 165920 178442 268191 109615 88702 57194 179684 109582 286150 71468 2-oxindole-3-acetate 9384897 10400510 23173180 17017812 18082170 30384696 15918291 34933708 5817194 3326332 4034536 7241741 10424569 42030864 35248480 11471619 5837191 5640989 2314758 2369614 2804011 4700975 2682938 2791433 8041742 4688519 30125480 8253060 13816116 6490424 8507190 22308124 2-palmitoleoyl-GPC (16:1)* 6571696 5167087 10701684 6328269 6388183 6717495 6539218 5101926 5410344 6264998 8050766 6725951 2860650 6320060 3519857 6448950 7059905 6875143 6692999 5644751 6533551 9829783 7134249 7531418 7792003 7177387 6567876 8252698 6785029 4888290 7347302 8883435 2-palmitoyl-GPC (16:0)* 298666016 280658624 400493312 148398096 158134512 150210016 150731200 127726480 175773424 134910336 149208320 82883152 102745608 101134592 135638752 154588880 244331248 203401408 178204544 233276784 161400528 137531968 190257424 161358624 173093040 187828416 146478944 185684544 171981376 227265504 190786096 179310144 2-piperidinone 197868384 186817392 194368944 194035488 212810752 225424496 191385008 162873472 204060624 220087840 207962208 211916640 208121520 216132576 219908112 193434256 210404400 266255552 202190480 203351520 209824992 208980800 188966752 172472224 202593584 229349616 221588032 222238640 212612896 206081024 214679376 197850416 2-stearoyl-GPC (18:0)* 157318080 141882272 170750864 56632840 83738256 54937948 100029616 56892348 100774600 112683416 99313384 65793836 68637176 72282672 73449320 111793688 177683088 98321944 95675352 106366712 89217504 64425516 108294488 87002520 91824720 142225424 89463744 190877344 85182968 137553920 99059464 100612800 3-methoxytyrosine 418908 541186 494324 645841 631620 769890 804810 711766 471180 485332 507367 484986 581999 662191 553207 581166 348713 376060 390012 500791 428283 377892 450944 329292 282223 377195 456168 490527 393089 367386 506533 443824 3-methylcrotonylglycine 1651704 2022212 1798935 1669763 1708608 2136393 1763840 1899449 1754003 1064918 780749 1177444 1400193 1516584 1023948 1223268 1783177 1692968 1639444 1564847 1099067 1857924 1751763 1776094 927069 1568516 1456005 1126155 881567 1088147 1330895 1266536 3-methylglutarylcarnitine (1) 2209646 3157944 2313955 3272838 4270171 2582406 2622340 2507293 1714109 1755270 1612756 1478253 1835412 2273787 2220896 1825356 2317179 2218206 3133050 2690419 3586492 2977144 2682761 3219758 2684767 3766123 2769690 1672472 2263706 2221184 2135560 2460015 3-ureidopropionate 53387180 53738256 34153236 55679876 89002456 87315440 79188432 57599784 85789240 48575136 26402568 56385016 48102068 69855832 43069752 56513292 40459100 58793116 41358020 50443828 38407644 39571168 52071188 37284424 25594198 36620188 32945322 58403836 15113816 25178538 36734936 31550524 4-acetamidobutanoate 1500847 1373022 1572287 1634655 2051758 1856481 1647806 1766508 2730968 4900475 4682776 2998648 2104361 2992887 3659702 2308031 1301689 1388680 1221257 1113770 1048837 1020141 935763 1349858 1515722 1275429 2053366 3113731 1655673 1600630 968507 1251268 4-guanidinobutanoate 5339719 5979885 4976285 3955689 8766560 7126017 5411597 8294322 6539297 4225333 7803101 5701046 6395828 11187121 12546722 8771493 1801418 3195104 1564497 1127670 3519620 2141325 3779076 2573822 2247097 1484594 2897814 6385116 2106622 1829961 3016880 2801728 4-hydroxybutyrate (GHB) 2651998 2695026 1592285 4812803 1783195 1703834 2045033 2320517 2890350 2971959 4104437 2205163 4763928 1476435 3595071 1406822 1380429 3224214 2544192 5624743 2997747 1216138 1975263 2612563 1635163 1703269 2149019 1343021 1677836 1297459 1448674 4-imidazoleacetate 1061562 801184 1321468 1623701 2014696 2261598 1676577 2076402 1651832 1347324 1738480 1864327 2026022 2427289 4400577 3135948 822757 1446663 798518 1246815 1053497 1077708 1228679 963981 1202556 620188 2147053 2203740 1281560 1216827 1710715 1722943 5,6-dihydrothymine 674774 576159 251368 478294 1181971 1248785 746077 777083 806060 630405 610689 664698 710652 888212 515016 808157 252873 467793 359433 379642 142674 277817 296604 328986 177242 205206 408038 574137 261271 328747 276826 523872 5,6-dihydrouracil 1329745 1421390 1059446 1567196 1711993 2044800 1900249 1598295 2455500 1938378 1593867 1865746 1783874 1872752 1681624 1579044 1373362 1860236 1771831 1875495 1654697 1508499 1570643 1475664 1218133 1697445 1412647 1435543 1019610 1012986 1275290 1216060 5-hydroxyindoleacetate 1243620 1432843 1554115 1372315 1731323 1593830 1500180 1648933 2828929 2567664 2219832 1985236 1922581 2677622 2100378 1732823 2369093 3323473 3620337 3829136 1387123 1115300 1126736 1291688 1394058 1262342 1659758 954011 1507211 1192476 1110569 1867630 5-methyl-2'-deoxycytidine 3243187 3581257 3830702 3997213 4998604 5418099 4623114 5409513 4055804 3512945 4743930 3902207 4482888 5244539 4659682 4934142 4295868 4722949 4423712 4952911 4220572 4154683 5265964 4581712 3767960 4389617 4585005 4417439 3386792 3597418 4195842 4155506 5-methylthioadenosine (MTA) 5530824 5181261 4806177 6269007 5506022 6139559 5986738 4848555 6809930 6606073 4773554 6305638 6895911 6149621 4618740 7680463 5138631 6460363 5557235 5348263 4951262 4088329 4123208 4123548 5529743 5811522 4341665 7994584 3259350 4878112 4396383 4645582 6-oxopiperidine-2-carboxylic acid 248956 153664 1073781 130755 899110 761395 383400 674947 716962 392847 530236 129925 660661 1016784 1471250 1232500 508981 90370 321843 604398 36335 349345 1324320 119460 409281 1062672 7-methylguanine 4220072 5020152 5619835 4770653 4534743 5625202 5428741 5487713 5887789 4800560 5861786 5979162 4814083 6015152 5034236 5056278 4381168 4665184 4327942 4518543 3642642 4273457 4362734 4790295 4807293 5118294 5843874 4133842 4793871 4129131 4681659 4617704 acetylcarnitine 932978624 993696640 877434880 903898880 868912512 898463808 931136832 753542656 684361856 707556736 855232064 825137920 933368192 947801792 703955200 774317888 1049150592 861149376 1180317056 808886720 799683456 910667392 828470720 871589696 965900480 1175712000 709998144 636711488 738346304 820157248 775714304 765607552 acisoga 860673 937302 677155 631643 693718 531066 791952 1039642 2289160 1208604 1672458 1474235 1294731 1809115 2095233 1220655 2375447 1717809 1483660 1846378 887243 975349 1179058 1033125 1852410 1614130 1984068 1368175 1373745 1191996 1408859 1409989 adenine 781189 686642 904957 1580842 642403 681181 748237 949434 1051839 1064837 357280 931246 1863301 1160541 1046219 1501639 526423 546011 520216 350569 3366780 2114913 1645916 2953813 2101133 1719225 1329726 19904664 1209857 1070309 1556134 1790151 adenosine 52626244 71436144 265006096 96166256 17424298 43868672 108457912 135539520 5970333 9454043 434286 7579393 60335604 61041144 81391624 21684188 1387142 929965 637438 552593 474487968 488878752 451045728 14091926 158525616 205912912 172057872 14386623 312345376 404952000 313266720 197029072 adenosine 5'-monophosphate (AMP) 3420280 6504214 34350796 11823058 2482222 11132296 20876536 33094032 3719849 3130375 1335303 84492336 67436576 63540368 184483776 74642 136739904 122732424 151504528 50112392 169748656 152912288 341607904 140707104 178564928 202297312 143138480 adipate 12072779 9825911 13608594 17053844 18550254 10632633 9621443 13400507 16343691 17420856 10796991 13086285 13341612 12307973 11760343 9937517 9938405 7763782 15838643 12883429 10005978 6365983 5534449 4563377 7808870 6543603 7234534 6736637 6349661 6324620 5315661 5349711 alanine 64868064 72061320 78465112 81393560 68741712 94596648 79655696 66078692 81072080 90188680 71726568 63365236 68845872 69902936 64705792 89544208 71190024 99807432 85213768 97045672 100750080 93881296 99248760 87346616 83002376 93994208 117891992 115148528 100368328 80956208 99140040 111119568 anthranilate 940533 1197866 1681820 1765975 1293610 1627095 1454235 1301629 1983917 2021384 1233681 1654841 2176892 2381759 2202387 2667578 1334744 1835687 1030479 1478165 1269581 970423 1808672 1388336 1653574 1606252 1634528 1426881 1079942 1194896 1635546 1290318 arginine 70111848 74383384 61327796 72141712 78354592 100862032 86250376 76208904 88718936 95299064 106385648 78248960 81731552 88463712 102426328 99058424 85911096 85898656 89642328 89191328 92501440 83429264 80885688 76268872 72558560 89165520 105411568 103529488 91837992 79183120 89413360 91720712 beta-hydroxyisovaleroylcarnitine 11660785 13115385 9987725 11377855 11384175 10520933 12472441 8706056 9876105 9082369 10173416 9684894 12091702 14341141 9998745 10566024 8321176 9087036 9258868 7086935 5469621 7269239 5786366 6234178 9153694 12273781 7297756 6473182 6459303 7103537 7417811 7458107 betaine 739152576 689675136 795320064 853245696 792352576 825510720 827847040 809035008 703743808 751326336 681043264 621068736 833432192 866428800 898984320 1086927360 653076544 695780864 707284416 552474752 686222464 605554944 712866752 492918880 584299776 623714624 630754240 623622016 783444736 690381120 728996608 999752192 biopterin 171464 214805 365175 148075 184312 195553 109757 116721 200707 162658 230670 393179 399174 566665 204628 176778 118388 91240 90388 193016 123066 82301 559734 165694 butyrylcarnitine 32973252 59854256 31207316 30160538 46827256 36888452 44905528 26341494 14499624 18806688 35725600 24416596 29918600 25580972 21489836 21793396 24407680 29923998 32620608 24373134 41007644 29426624 22135754 25742564 29046648 33819756 16341066 22920008 12382598 19672132 24086936 15158092 C-glycosyltryptophan 1420682 1739432 1366221 1744280 1184478 1731137 1849617 1330785 2009178 1621699 1423551 1756266 2022090 1500752 1328451 1076133 1564945 1918558 1774467 2031342 1806303 1534396 1864773 1820622 1644081 2341675 1243299 1402551 848425 1256299 1443885 949586 carnitine 481465600 513693216 479970784 427931936 451885376 450155968 464807744 402963040 392846016 429232672 482951968 374797344 448953344 545469952 482783264 387456928 480845568 541921792 449089536 444944672 461869856 451419424 466510624 446458624 567044992 595298752 521748000 391788128 453118304 408280544 437726144 395675360 choline 252471072 239047360 233148352 238229168 183163408 219078480 212805952 181970592 262731456 264742512 226102976 269834240 234809440 192925936 176933952 226669856 231130032 216784208 226182384 208978752 148702064 138994416 135677376 107327856 156689616 154442896 114852424 112283640 130656104 144360320 113908320 109043976 cis-4-decenoyl carnitine 1769763 1838979 1106490 1272030 588353 629745 1028563 430720 834582 1365679 1780566 1924169 2001997 1243154 676884 913421 2552439 1645513 3249491 1992715 1801089 2317986 1941440 2058606 1723123 2399493 742222 1007986 1099568 1757143 1345758 705048 citrulline 119724984 145872928 154328016 135571616 196792496 195174016 183499280 175870528 219132544 189052256 186994800 203414048 173691536 257935104 251841536 253842496 126770176 143924640 123424640 132079656 156839856 125983024 140084752 127861968 167146752 164044640 241274304 209796000 176974544 153781408 192008160 200404800 corticosterone 4582139 19556124 23772802 43498828 15962827 11359661 12564269 22137510 20711288 42651376 85993656 41172488 39171612 53438860 104504984 68308432 71503224 65803804 63193872 64064276 45190724 47875332 57230768 52459516 51626988 13776732 58864496 38981184 55503912 51732000 42212744 42314856 creatine 2134254336 1955154816 1894167680 2276763904 1306762880 2938198272 2517873664 1904198784 2764601600 2723529472 2194921728 2588683776 2532887040 2507299840 2040877568 2243395328 2697135360 3178055168 2777275648 3191760896 2799859200 2445254656 2572657408 2605424896 2585624064 3266689024 2392344576 2794330624 1854377984 2249994496 2331240192 2394525440 creatinine 88147952 87119768 87300328 85905368 114059016 97407856 90985808 116506144 133345088 106461144 117871784 112715216 102060608 139744032 211282048 173294736 91670176 99313352 94427064 100808960 99512440 90542488 99630904 94658168 94972704 85516696 131211968 129475352 85039840 83425768 102539392 107688608 cysteine-glutathione disulfide 67438512 60264124 72985696 83123280 92538624 87900976 100515472 91330688 53507960 48973912 52909720 39052984 40430712 51384144 54049920 52814372 53907332 66067552 68157728 78196000 70912504 71115888 68929648 53669476 45490552 52170532 47978280 66862588 41887712 42612280 50592392 44386096 cytidine 42367200 42466260 38646208 48645048 29230356 33145022 26658612 27855102 53055276 45658528 41791992 45826240 48807612 32945044 21749058 25972104 61033164 54902736 61562456 61219008 54953236 49906336 49595336 45687988 50479972 52701104 30663664 48310048 37053844 41775012 40239944 32424582 cytidine 5'-monophosphate (5'-CMP) 752641 864725 605505 985318 631910 851475 700621 554036 1193746 1289499 663355 1101324 1370850 937371 620699 1064928 930126 1032336 1254211 1037903 894478 460565 555754 90574 1379344 1371147 800284 1624514 883421 799185 637064 353834 daidzein 2199231 1962642 1473703 2755677 6860818 4599582 4581578 5470363 8045654 7133398 5344323 6305445 8609700 12120184 12943816 8827984 1154807 3526732 2233709 2248365 2089069 1597303 2640558 2563251 2702811 2612240 6086846 6211134 2415361 2506374 2508469 3483055 deoxycarnitine 45754580 38258056 44636268 46624472 38020248 45281916 39045688 49785104 49281584 62377232 71829312 54047064 74238848 58481944 76462232 66357272 38841264 37903432 42418852 31328274 32136268 33063494 31638538 34064464 49460176 45287056 39141028 41716544 40336216 35445624 41805184 40257632 dihydrobiopterin 2164787 2263451 2605286 2650973 2836293 2718458 2797189 2557651 1913808 1411215 1309252 1556981 1858676 2247047 1627409 1254496 1414153 1716351 1733380 1779192 2309852 2076922 2030143 1873534 1461616 1437653 1543380 1023207 1184013 1008379 1599629 1475196 dimethyl sulfone 230627 709084 421241 323899 402494 301963 479798 661842 79595 44697 175704 166150 219129 167192 152112 203708 78620 92255 dimethylarginine (SDMA + ADMA) 23537904 26677100 23627602 25397024 25946896 27523716 27223504 26320540 27822460 27081370 31078592 28735816 26097226 29433804 25389312 23615014 32984762 26475898 28878152 26039008 24012932 25861578 24310450 25744928 27217748 30382290 26770170 23646634 25566614 22791696 22966092 22559952 dimethylglycine 6085150 7148733 6733031 6656459 9011684 7812739 7680624 7966604 4749102 3401188 6151298 4792423 3286124 4628453 5414565 6063385 7120963 7902842 8387738 7864869 7666199 6903078 8445248 6284584 5426090 7026248 6086702 6777390 5037103 5691154 4467576 4842818 ectoine 38071136 35435552 25791780 25792520 63188352 55423860 58955904 61633496 48657648 32730026 41209136 31624754 27731880 45007944 74828368 74529120 16531761 44605192 17029338 28057864 29741684 23852340 26757886 28658910 15987880 9740785 36440040 54078096 21559920 21666894 36322356 34358648 ergothioneine 14671171 13973101 15939121 20100888 16387130 22012470 16197077 18339504 23239916 32119262 13999367 20571840 48012384 58230512 53910016 67618640 15835527 19375640 20266432 19381928 24113044 21979868 18018756 22691404 23261110 19815860 13832335 23675834 28896996 18882740 23918694 48345228 gamma-glutamyl-epsilon-lysine 5970665 4330627 3912142 4257905 5550148 9859612 9048257 10759633 3750995 4376832 2176277 3931071 6705545 7934011 4261776 4358834 4091486 3067401 3020476 5127105 2359743 3871347 3156541 2800750 2918991 3184545 3898925 3341275 2082793 2062899 2076341 2309488 gamma-glutamylalanine 18294072 25498908 27566504 20788092 41198136 32912564 34701212 28391100 21284470 17402244 14638864 17656414 16593515 20056024 18887828 22754064 12758698 18433516 15465686 15330265 20317748 18003744 20927684 16719439 12247360 14313674 19512708 16292832 13575441 12749527 19052152 18366906 gamma-glutamylglutamate 2045301 3863430 4318621 3055966 5614103 4118455 4620186 3965221 1645830 1769442 898703 1812929 2085497 1633318 1898248 3414726 811163 1334827 1130433 767224 1586353 620869 1006281 952220 746631 758332 675762 1109352 646046 488656 893442 700748 gamma-glutamylglutamine 64916428 92118280 98060944 58917156 139435152 105999296 122604760 84804592 41107640 36308292 31374694 41553836 32387870 39758028 44309916 43388072 58899908 56415760 59098544 45638688 60186656 69549464 65986976 61287980 43790456 52028552 49878628 35853032 39965140 40253000 50996444 48323672 gamma-glutamylisoleucine* 6292182 7835498 10169577 9389645 13510505 12298435 10511470 12103804 7803280 5921277 4540179 6165192 6263954 8511684 8814960 9461671 5287352 5394347 5855860 5992379 4630568 4943756 5097415 5527549 3446991 4290821 4935118 4355789 3372518 3248322 4327532 4658932 gamma-glutamylleucine 35064644 47532612 48578152 45395100 94703832 73682864 70073576 73280864 37946960 30422062 23620456 36043148 28912616 41161344 43839672 56558036 28154490 33189604 31821870 34470784 26459984 28625632 30875056 29997236 18191856 24724528 27160316 28002160 16936378 17265676 26230048 28627048 gamma-glutamylmethionine 11410633 13940538 16222007 7833453 26828118 27389414 24651194 24899942 11355784 7014855 7193421 11397139 6748575 11625129 15823438 10928339 6272786 7594554 7173133 5415433 11723537 10776702 11854233 9253717 5955729 8291920 12993331 9371136 8039186 8266100 11255847 12046903 gamma-glutamylphenylalanine 16130787 20440888 21142896 19070168 31588664 29370956 29676988 30788052 19571080 17439776 11842409 16810306 15152121 20704592 23490734 27253792 15668551 19407156 17427396 18967722 15927395 15838569 17654000 17317792 11452992 12365782 16291239 15826382 11379580 11487137 15994201 16092050 gamma-glutamylthreonine* 6923265 7183369 9889316 8554094 11907806 11631482 10266996 10225864 7749119 5623731 4367111 5663234 5200301 7249559 7177585 7429709 5066119 7047139 6260906 6560018 6146977 6063758 6579325 5786791 4269885 5069779 6581899 5665545 4522941 3827412 5669849 5983063 gamma-glutamyltryptophan 3226408 5467337 5143335 3785097 6869303 5221496 6284060 4246303 3844367 3077511 3703309 4633604 3661239 3256974 4050535 5437332 2631335 3326834 3252137 3046430 2535591 2926183 2896467 3511299 2558495 2681579 2532367 2956731 2254459 1941123 3107747 2545156 gamma-glutamyltyrosine 6393774 12910626 12082040 11703652 18386116 18268912 18088072 19629508 9055420 8488385 5871521 9104171 6820657 11520268 12331306 15245559 6000899 8283802 7960795 8727922 7292454 7999048 9296426 7903761 5328800 6320544 7499807 6072409 4435521 4445475 7261691 8344296 gamma-glutamylvaline 13992432 18498818 21024098 18684896 27989062 23130744 24142748 24268498 15260207 11546841 8692448 13171323 10583302 16001963 17236368 17662404 11948717 11557800 12355958 12927933 9340705 10217599 11534490 11542847 7309502 9073155 9424924 9153933 5909465 6168682 9060196 9337130 glutamate 54795380 62641956 57805200 62364432 80110320 55658400 47359424 65920488 87867768 79276832 64730596 63720976 61005196 61052796 64460700 85186480 69451168 61989192 81131096 62935636 53963528 23051988 20521700 24133580 59260040 45458576 35526404 49365896 44756192 33216908 30834658 37855168 glutamine 374078528 419961536 430813952 444569248 458658624 455295168 460309856 395894272 361095488 379854368 304780800 302500544 332169728 313330464 297204256 354570048 489423424 476907712 503334400 472623776 558744832 538359168 557005952 518226400 523187616 554261696 503892384 492121440 510658784 436439168 504312832 524657664 glutarylcarnitine (C5) 670606 793444 698320 972268 943210 773869 713749 769864 700880 651321 811188 392134 713099 1094341 1134475 743856 501752 1115199 555938 908249 976310 810825 720419 531879 1103801 790986 1441041 829302 1079541 834701 942793 1252985 glutathione, oxidized (GSSG) 54119156 53737520 67950520 95565800 81029512 92369112 101290936 90887960 78299224 66808700 41381632 50614032 77413352 51704328 44887768 90139768 29969086 55099940 67001636 55332828 55493856 36173168 47850944 27518738 37842324 33342512 23268348 195393248 17870928 34615488 26444556 19687034 glycerophosphorylcholine (GPC) 14363246 16871036 17514292 15866778 13894400 10685978 10699638 10509452 16103721 17988676 13598093 13063744 14442128 9744042 11493191 14735349 20721674 13501000 16136602 12328133 12841824 10496819 9527091 9239811 17908856 18538360 17194102 16890796 14417981 11299853 12775782 15287507 glycitein 371036 367521 69055 405832 258048 220622 169836 193862 702321 451749 880606 432278 250568 180855 311744 85869 157912 glycylisoleucine 122840 160375 96000 141342 114110 198639 61261 199786 232531 537707 611467 422216 79620 172515 135991 100863 124638 159716 303200 285886 243998 154603 110819 393047 glycylleucine 150241 132143 269391 310730 434193 464196 505408 526701 471823 413412 480120 577529 732905 803405 793307 299509 502881 451616 391990 368673 323601 304395 143839 226608 396520 294750 622620 447359 244809 223663 360039 glycylvaline 110822 104903 160366 196233 141435 307113 343589 544988 454160 422852 248953 189798 610620 631614 377283 192519 319155 321509 297240 133224 225837 153092 251197 842804 135936 273946 guanidinosuccinate 1438429 1285363 759866 890225 guanine 575587 624783 818107 728339 871171 880307 714461 534445 768453 534762 585730 163193 223293 502734 253639 122183 206411 162323 142689 183694 85228 166834 162217 220617 1061275 206678 292893 guanosine 5'- monophosphate (5'-GMP) 3281303 4750337 6947529 6448846 3062428 6012599 7877051 7515426 6486774 3996975 3308776 14892580 11611619 9678354 16739980 250038 305431 161809 14371454 9803209 12589012 128208 10833323 18564328 13526285 22423308 12965883 15014658 14559266 10780248 heme 7702576 4195581 5318856 38677584 37252404 10175893 2955874 16282253 10626099 71062360 28787182 7743121 113071008 77969608 101484736 281516608 19332060 23834716 70614080 38356764 11759905 2928405 13341321 10646472 76380352 49273952 26795264 773118656 9192140 10801025 8989850 12140067 hexanoylcarnitine 10751229 13456431 6088506 8332967 2496015 4647909 7449770 2554814 4009737 6711628 6798958 10631321 9469955 4222861 2699826 4988700 10465777 6839813 11420547 6255456 7992015 8595948 6156757 8132464 8557220 11178141 2329311 3283258 2801740 6757445 6261577 2946611 homocitrulline 9532291 10920942 10221870 12276263 14929385 15356665 11756180 12256336 7241391 5685551 11020171 7722242 11093235 14086027 13433494 16193442 6768313 8515147 8151729 6324406 7220079 8016523 7921031 6906179 7721397 7676260 8190292 7332192 7573396 5364607 7701446 9397721 homostachydrine* 17478616 29844598 31927574 33712304 29073352 36281512 29698576 35531228 18185804 13863382 22744518 17779494 24778156 33690612 33564956 35870972 28445864 37473384 44777312 59100032 44054748 44070648 42710996 36798080 19589644 16683497 26762708 12531673 28177390 23157748 21731728 24274948 hydroxybutyrylcarnitine* 4837808 4572640 5801618 6375872 3773294 3309209 4498406 5022916 3294319 4442469 4195527 4196295 6605229 3723981 2782406 2710483 10848578 4786269 16846372 9596641 5123163 6603785 6027828 12451301 6015959 13627211 2369864 4017954 3164919 4010689 3471119 3042285 imidazole lactate 3522804 5244914 5841417 5921471 5623603 4725079 4646880 5165143 4222263 3338627 4037357 4096041 3313226 5155585 5474492 4069340 4537481 4068808 4624113 3417433 2995176 3167588 4559400 4123101 2938982 4264271 4188879 3361344 2447078 2670490 3293804 2873170 imidazole propionate 2269914 1450689 3059348 3275082 4125279 7397934 5543263 5402172 9285688 6642352 8618687 6862133 2650262 2817586 8020737 7106188 1017848 1799397 1447251 2289437 2405181 1903606 2351619 1777851 4440390 568763 3190940 5522851 1942065 1828220 2770482 4491997 indoleacetate 6924915 7708081 9408895 9047985 18047214 11018234 9706850 11838233 7965731 5986816 6800682 7985322 6843563 12887444 12627339 9736517 10403084 10415507 5519618 10360957 12300246 9010570 7503276 9852922 4440072 4556365 8967321 7617933 11784409 9489982 8592398 13908661 indolelactate 12060876 12510907 16240695 13503222 16135684 15095576 12873488 18755204 34227988 26153428 25341360 34024964 27108652 29141056 33668088 28078540 13781042 16327672 13242251 15447013 12813256 11116841 13645806 15281022 18258694 15895793 25504872 20177968 15751214 15754188 16950060 18439764 indolepropionate 85359936 86944560 149264640 147432112 86589512 123255168 122163488 73299912 1444268 1146674 1131557 1255365 1490651 1787086 2650673 2134049 36791368 35360396 16115977 6208373 8962705 47216732 16757587 15072095 11214846 5407684 28669442 19850572 929129 964919 1334875 1549105 indolin-2-one 718197 428825 1245127 781370 852879 856908 829927 741351 114179 121752 283966 248934 279644 473136 418223 245851 276667 80899 219884 147973 194740 128112 151141 isobutyrylcarnitine 13293004 14055826 14069756 16069897 14455351 15196722 15601188 13637980 10962546 11200090 9634782 12796066 13676804 19060372 13708365 12870865 13119361 14251999 12893398 15821553 16030837 14900221 13984626 13774380 8950510 12404339 10973293 9616787 9094271 9144928 10340008 12347028 isobutyrylglycine 1227042 1070304 1290096 1548143 1448852 1361464 1441067 1467136 1439053 967181 902522 895168 1205485 1337799 1710836 2152477 738516 933652 942552 1216287 1020122 1048598 1045460 968768 707491 894356 1032592 1512756 771026 734533 1342416 1354747 isoleucine 1155640832 1963758208 1668465664 1674970624 2417437696 2686110720 2334046976 1933568512 2076523264 1821644800 1697799552 1964791808 1853858176 2300245504 2092627072 2381289984 1832351232 1993637248 1899026432 1913683840 1836264576 1714444160 1889511808 1844543232 1430863232 1849393408 1700258432 1880909056 1447375744 1446944000 1752686208 1764134400 isoleucylglycine 121847 256855 242524 204648 222525 330726 355739 372426 261697 335628 241290 235159 311977 378383 349284 416376 242323 313591 281582 291933 322854 309469 208554 160908 135843 388162 289824 401523 278032 188661 250704 227135 isovalerylcarnitine 10172595 12744449 10039119 11599660 14944922 15248763 14292552 15598343 14042418 11014202 11293816 12025374 16061208 20409616 15041515 18535272 14165232 15463151 16444825 15312480 13967373 12972708 14955485 13992407 11266395 16199235 13858251 13554286 10369394 10181700 12325089 12100345 kynurenine 8077247 11812767 15667754 17025932 15212551 16805864 15735113 16604305 19396664 14187461 13822008 14721508 17590152 27448664 21463072 22493622 17957584 18753224 15914011 17936292 14226944 16102556 18725522 17304168 14609610 14060793 22292388 14941385 16216402 13450669 14572162 19421300 laurylcarnitine 2484765 2485808 1572987 1107259 787959 1939874 1433912 672006 1848338 2388689 2518578 1685045 2198360 1239322 1021439 1109179 3308564 3275402 3017944 2664316 1782256 2044378 1774405 1981963 3072961 3459079 1197273 1520686 1319443 2100633 1620412 1139384 leucine 2454651904 3270317568 2877921024 2961327872 4213412096 4384916992 4167472128 3580132864 3688526336 3548202240 3135791360 3507883776 3183290112 4034936576 3782356736 4578670592 3372424448 3628620544 3642528768 3630383872 3454149632 3220859648 3427562240 3169505280 2588384768 3274919424 3295330816 3606236160 2756079872 2744119808 3365479936 3232219904 linoleoylcarnitine* 10368496 9371616 6264625 6853640 3849877 6107553 7254315 5031457 11788593 14861724 16376480 7802068 15993202 5688792 8458368 6603422 26065354 18399212 20910124 18858008 11928993 14278059 14931086 12294800 16439932 17376282 9860807 17639956 14334594 20669000 18496218 11726635 lysine 79226712 90921872 75451616 86577632 90534936 129066240 109258736 93590848 102946592 103495368 96500928 90491368 108987208 127905240 110986360 119160688 104716192 117322416 103479136 113102104 108992576 98821728 107288888 96925864 94247656 122956160 129295832 119037328 113603040 99195392 102334096 120083440 methionine 568764736 596711552 589245440 590560576 918456256 1095953152 841996032 961106752 906791040 765091776 731135808 792498432 638285888 877740800 1075907328 983987456 500352896 782960896 702807040 675181568 812154752 636888448 737389184 596000768 662660032 760708928 978124416 1111041920 788788480 728134208 796534592 954398656 methionine sulfoxide 13852364 12036567 11743014 12101943 31575094 25401616 21520164 27919968 19240748 14743964 13954959 15402114 11987473 19074168 31951102 33380642 7708890 16852708 12507179 15260283 19364030 13161344 15869457 12593763 11223123 9703863 20009404 29392728 13744245 11987404 16274438 22579922 methyl glucopyranoside (alpha + beta) 433753024 376616256 361006496 404439328 419031840 356470144 386904576 411166816 172360848 52467608 62570108 117270688 147517216 226181696 161068016 117292520 419994720 464067168 338101120 415174592 253618128 250297568 337092064 294170592 83814504 80788440 89500400 91369144 89233208 109254152 127887728 83037944 methyl indole-3-acetate 504858 802784 400491 543590 530993 879509 968997 582854 2887339 3173053 3940579 7992537 191253 838708 458622 454584 441626 11268993 myristoleoylcarnitine* 6454689 6905430 3439386 3252481 1365886 1716300 3821874 1615885 4044467 5763503 7278428 4985363 6002383 2747525 2841346 2674050 14104272 7349534 8524310 6303724 5650733 6007425 7172573 7488538 9699791 10028602 4122584 4248210 5851320 8218450 5872323 4562908 myristoylcarnitine 7404275 8433638 6958042 5110428 2776105 3370537 5912746 2128208 6143559 6571106 6170571 5183326 6618601 2891361 3437453 3208898 9686006 5999896 5875230 5341282 3404254 3680474 3993452 4337602 6782273 6544447 3338281 3674420 5049805 5939956 3575900 4212118 N-6-trimethyllysine 3751574 3526095 2720687 3894863 5853918 5414247 4200511 5957178 4431403 4475887 4741650 4497813 6378904 5300838 6895189 7405324 6580145 7057958 7098199 5637246 4605336 4521211 4389181 5135934 5267348 5233108 6052109 15936061 3635054 3775728 4198281 4433822 N-acetyl-1-methylhistidine* 1483031 1829917 2241160 2423169 1805247 2031726 1782312 1858346 2080252 1548055 2587774 1335804 2016659 2576852 2268352 1963329 2073069 2015188 2880198 2556501 3007635 2357362 2672793 2912780 2964752 3033093 3277833 1251426 2116499 1704008 1888087 2079512 N-acetyl-3-methylhistidine* 980676 1383341 1086566 1758912 704261 1433283 1280210 1167942 1524040 2203397 2245529 1960900 3760205 1719740 1671419 2314192 1058167 1513651 1440542 1888166 2045140 1684877 1726856 1870636 2172100 1805780 1411683 1578539 1159121 1442148 1703727 1366813 N-acetyl-aspartyl-glutamate (NAAG) 561395 315985 499248 548804 449264 322781 346367 316973 691253 450307 148858 546488 587532 921277 800531 811639 468782 707798 542172 437634 540914 312069 378998 383796 537037 604251 546060 468253 377741 417085 466096 405619 N-acetyl-beta-alanine 8703625 8900494 7139443 7456229 6485100 8790839 9219690 9678522 9174221 6919650 11049387 8191449 8084439 8646335 7641679 6647819 14554019 13414312 11257746 10524838 8780256 8547171 12073116 10916532 10838370 12331174 11004398 8341070 7718240 8350445 8108330 7983803 N-acetylarginine 2372885 1862144 2713568 2691625 3242817 5247164 3685748 4484200 3480851 2868330 2117033 2665979 3056559 4269417 4263925 5942461 1820192 2604694 1646123 2303255 2475481 1949794 2108990 1925877 1781730 2386573 2808935 3380777 1877603 1959663 2719478 2493482 N-acetylasparagine 2850504 2855782 4456601 4029166 6654811 6985712 4918888 6313437 4420264 2252715 1502307 2525750 2315845 4462639 3964062 5547580 1777337 3198179 2000790 2243960 2266692 1782261 1854838 1791122 1511554 2134147 2807187 2880774 1267362 1172263 2304671 2351815 N-acetylcarnosine 184964 259825 253859 169959 206866 109432 197425 294366 221607 277733 153472 317368 375507 78039 214595 260777 322917 316125 198280 279101 329956 283556 134968 259256 268785 205340 149671 243456 262457 N-acetylglutamate 4565136 4690334 6207165 6239792 13932182 6142925 4435175 10394487 8284079 4209209 2240393 4372770 4454228 8487809 8313486 10925468 2705836 3249824 3356114 3731871 5038569 3231598 2737821 3740972 3205199 3386017 6186268 5361015 3073871 2918272 3663248 5679603 N-acetylglutamine 11959232 15609505 24068986 19611836 29310708 17836156 17861206 16677179 10248260 6647678 3127719 6322889 5839769 8072522 6340769 7616365 13365024 13970652 14996754 13149760 10869347 12787755 13519542 12103477 5921607 8634548 9535797 9678520 5082749 4989927 7220548 7256145 N-acetylhistidine 9861579 10942650 16648535 17628546 16656000 15945541 13545093 18341214 12142567 7368183 7147185 7950511 10179605 13334173 10928763 12874645 13298599 14307277 13927174 13677034 10978119 8903574 11475166 10646989 5898039 7657540 11813716 12239080 6065989 6642010 7281620 7180370 N-acetylkynurenine (2) 2111182 3276556 4962645 3836697 6055946 4277736 4429970 5314429 4882291 3129760 4479447 4170940 4156831 8795146 6476307 5544281 4192610 4108057 3142752 3103872 2386001 2787313 3001766 3012670 3159475 2958576 5652068 3225839 3333717 2990930 2833649 4267959 N-acetylputrescine 1449473 1523541 1362321 1403085 4213681 2010460 1740471 2530450 3191635 3765092 2695322 2893760 1300840 3553972 8120369 1605146 1278435 1203376 1036432 1418210 1066761 1341447 1154785 1394971 942134 1323724 1793735 3071303 3430971 1123141 1109437 1294557 N-delta-acetylornithine 64751672 74635688 80118736 76178584 105194144 109698104 98094624 100349896 55197632 56433216 67336064 61798812 63576724 74028584 76638424 104357032 51801508 65188148 51531532 52255952 52469140 44358216 55160664 55690640 40768904 36174408 50054952 63629056 35858976 28259248 39492004 42994840 N-methylpipecolate 1586332 1761744 1587819 1942324 1883522 2553717 2622038 2810426 1906152 1681978 1359897 1595921 1647602 2273838 2190191 2632528 1743076 2066443 2048165 1770259 1448445 1774693 1457934 1855117 1307474 1714535 1727505 1540804 957790 1159552 1368898 1543781 N-methylproline 28256534 24584352 24247790 11880382 5528109 3138620 5352722 6319109 6265157 9054396 5001738 7202865 7601297 13149939 7120346 4608373 4300457 3343059 3415474 3149265 3518862 6478165 N1-Methyl-2-pyridone-5-carboxamide 13141935 20305604 17635308 22414258 20157048 24082190 19866304 21109628 14304782 12807067 26780848 15955474 22986444 21546212 14396583 13280270 23466970 25653220 21709576 20841404 14990682 17823020 15567586 21866316 27081174 28337596 36240836 20229370 23358516 20332340 24086996 19145344 N1-methyladenosine 5344329 6986552 5653013 5763333 5103695 5607428 5995575 5445377 6433400 5632024 6903985 7301423 5701354 6106175 4593774 4550293 7049076 6401250 6304709 6036907 5367543 5517320 6432865 5126269 5765233 6364677 5489184 5606675 4612234 4751355 4886318 4497914 N1-methylguanosine 1635769 1858766 1752078 1605677 1825628 1667108 1799701 2019783 1833916 1712404 1867865 2044477 1846919 1974392 1451864 1484491 1953281 1921372 1851116 1645569 1340498 1322029 1439621 1231665 1487681 1874492 1473303 1789145 1321388 1370415 1286808 1471301 N2,N2-dimethylguanosine 262728 278449 231114 284364 234201 182142 241060 370642 240701 360031 240740 210698 260153 383229 354213 290056 297674 383270 184729 191346 232936 273733 274979 228095 200368 153848 190192 N2-acetyllysine 3632082 3227148 4112979 3933220 5123431 5716642 4973285 4868687 5348005 4114970 3824025 3920703 5045483 6874350 7081065 8472182 2167961 3062707 2236066 2400437 2431978 2012994 2109779 2429971 2349131 2417314 3219749 4559256 1883312 1959841 2477057 2595747 N4-acetylcytidine 498446 583836 534910 584467 645184 546321 625698 624100 570292 463803 480734 550188 543802 666836 489933 633606 569612 451026 507274 507681 316550 421720 349085 424587 385574 518357 447987 418537 303060 295921 376174 347275 N6-acetyllysine 11499262 11248884 12278559 14370271 19088636 20429548 16512622 19594052 12373004 10415596 10140859 11634176 13969859 20450280 18472510 26042448 10388369 12729887 11736335 11991489 12368475 12743381 13855327 11362372 8885136 12969301 15853687 18112832 10383403 10061095 13130878 14011060 N6-carbamoylthreonyladenosine 353937 385722 430942 382934 405514 374101 440558 296726 378118 357314 341291 343503 361035 596810 304814 423974 415257 268399 329190 433880 268088 261834 288711 306943 414415 413836 367981 327198 353688 328490 227833 270333 N6-succinyladenosine 1167330 1189364 1598104 2160333 1942161 1732485 1486634 2179389 3014314 1815759 1052380 1637391 2759788 4667503 2464823 3950933 932405 1138785 1285991 1337553 1620438 763500 863168 798197 1206247 1390503 1322122 1058579 576144 585192 602349 586554 nicotinamide 93535320 83888856 85911760 108228720 102679648 120017392 91547808 96818336 84863328 115123176 90484792 87465552 173434064 115689240 118246664 123903640 70783376 86749264 86448112 90047168 67974088 63854944 53003560 58200328 98970576 90001944 98227992 145831104 70019280 64018716 71036424 69518240 nicotinate ribonucleoside 93486 570186 405010 108279 421393 2223580 1011148 558432 936482 1486975 1660947 2613254 988159 279674 440354 130075 643191 174019 164285 523121 octanoylcarnitine 3248111 3648857 1975252 1919135 752254 1305471 1842201 419520 1003438 1277705 1894086 2517937 2073326 1208105 754174 1220842 3009942 1692796 2920205 1798019 2449373 2277264 1752327 2518987 2193753 3377610 671183 951455 940476 1925320 1344570 749523 oleoylcarnitine 15945960 13025499 10769397 9036818 5209705 6205167 10732933 4472331 17681644 27196282 29108734 14613839 20641134 9845046 11231975 11882534 47272880 27790928 29905188 24791912 23009726 20320104 28973108 20859570 27034500 34812304 19469328 19753714 22745194 32006682 21249044 21391972 ophthalmate 4241113 3894712 4364563 4826129 7043206 3444996 4588294 5057902 2890090 2309701 1104841 1927469 2214883 2616235 3677406 5356961 2392069 2470319 3629352 3659794 2688926 2728748 2864175 1856544 1496789 1233337 1086830 4955288 818782 1609290 1148370 854011 ornithine 12580214 17571070 12965487 13765801 17282524 25136524 21908480 18590204 20748084 18886480 15418843 16081473 21736794 22986626 19999018 23671702 16970224 23321454 15442826 21357666 18938164 16062801 18687880 16215196 19844364 16796464 19294248 26970416 16387498 15668185 19445848 20340536 palmitoylcarnitine 19756502 19874024 18541864 15329576 13047004 14253659 21767312 9310556 25692076 29913284 25013420 16017203 19319764 13190096 14238337 15874852 40602556 27482936 28035608 25699058 20820152 18411256 25607610 21810760 28490918 31230068 20480368 24962540 23482878 27868440 19858518 21569202 phenylacetylglycine 20133064 19463450 47961492 23150454 18759900 31921924 38366492 16962060 11094296 6294838 9073449 6526069 8059374 14934618 11282418 8779722 43345280 30103826 30051394 43200216 27120428 17786912 46882032 32299428 27878872 23673214 39986656 12206348 15089579 26214372 25165996 23819448 phenylalanine 1562788480 1911722752 1835847936 1895024000 2005620224 2324026880 2270507008 2081041152 2188051456 2147580928 2105609600 2038673280 2331397632 2484092672 2427766528 2648584192 2396853760 2387538176 2465890048 2587273984 2587777280 2305710336 2451802112 2367638528 2063332352 2328734464 2502621440 2388308480 2094907392 2103583488 2359560192 2446592512 phenylcarnitine* 1859072 891693 887232 1746352 746844 1734368 1358944 1478457 1427335 1417999 1014287 1271053 1357445 3952274 2291365 2119829 1197470 2172652 740918 1289880 1146153 1096009 1431455 1627408 1157955 1301431 2168249 1663287 1870050 1419817 1473718 2594763 phenylpropionylglycine 19924896 9021811 17105488 38154376 4637550 15863414 20813624 6888527 8975047 14881563 7321427 10067806 20602728 3302376 1329385 5735883 22105340 23955344 48016812 50624232 45212244 47053304 32708964 24460404 9342752 13003748 4568974 36049564 4679625 8595625 22974778 8598425 picolinate 872359 1035419 1522876 1719091 1996206 1741201 1869832 3084136 3380496 2302150 2795395 3177065 2048250 4871051 4879679 5128136 2254285 2613331 1501650 3250013 1778354 1571743 2238777 2688727 1852261 1979075 2727465 2881247 1705008 2133312 2141213 2544426 pipecolate 60825592 66803300 71084912 66783280 76685552 84988368 86812360 66726188 41891268 41873584 56595328 42432176 57106388 66128868 63772912 62684500 55398964 52515180 61539668 65251404 66996976 70708504 70696448 77037240 68056024 69220664 71805080 44078672 41757024 45123924 43858824 50615344 pro-hydroxy-pro 14212773 20133844 20471524 19046180 24053690 27521000 26390038 25560264 23164168 10015178 13331462 12250969 11445723 19314624 19998400 25516904 22213688 22989392 18629440 22186202 15494663 15715326 16502036 14381019 12036726 19657300 20850400 9135597 12078850 9350613 14947912 14286058 proline 582142400 742384384 657565504 628907712 1090617728 1080414976 953672960 954695040 844089280 761904512 631969920 693521664 637789952 952364736 898113536 966486272 600457920 907580416 779324864 787353600 824206912 717319424 744722688 643413312 558675776 745635968 1070233088 973768320 774754816 628987136 811120192 1031089344 prolylglycine 1772081 3158911 2549036 2786298 5064633 5484994 4453432 5110689 7207234 3326231 2124004 4096054 4282256 8995272 9750421 10983300 2761708 4449338 3262032 4414479 4401457 2962679 3416538 3270628 2346062 3818869 5100949 5698011 2937200 3342739 3209288 3730641 propionylcarnitine 70131992 83710296 65098680 64732840 71834480 69027624 81602400 62213088 37143292 34195832 46707984 36714192 49932500 61872172 42703548 41416280 62936656 86417576 59312940 46914648 53369888 51865120 58079872 44652460 49886712 59567036 40178884 42245120 32982484 36755028 45393756 41949232 pyridoxal 2278837 2420831 3012438 2865528 3910849 3719156 3846477 3811435 3058926 2460653 2544769 3505316 3917485 5876675 4885126 7864858 2055069 3552653 3296595 3968728 4627033 3797559 4459457 5129772 2528679 3683948 5022853 4682098 3231652 4170105 4340038 5810554 pyroglutamine* 7460499 8966540 6910176 7095541 10713825 7734367 8290334 7350143 4220115 4061986 6597036 5334478 5301964 4647200 7473034 7852699 3695989 4838158 3531483 3746969 4455881 3786257 3667799 3881484 4333805 2934321 3964279 4040915 3441692 3271534 4216951 3756023 riboflavin (Vitamin B2) 688278 766077 964067 897104 1592852 938942 1261540 1007734 995195 703145 678568 927953 1045059 1086384 941748 1182373 724187 789236 747974 786451 1041495 736977 800503 569857 512664 650664 1055233 2324998 341949 376430 619054 554457 S-methylcysteine 2768696 3029538 2577470 2795978 2828182 2870519 2619216 2503225 1770498 2111753 1796996 1976410 1818352 2006829 1674002 1596555 3438021 2448645 3962467 3507861 4036137 3881445 3718417 4018775 2779995 3470599 2528623 1838340 3205662 2840968 2149421 2928981 S-methylglutathione 996257 934584 786286 1237723 1162777 980505 1057563 1045964 831421 741099 776669 809396 748045 597370 646183 642822 480496 632077 698593 645711 743858 589941 622711 464263 425626 301656 357520 3202204 626669 766476 509546 256597 serine 2937221 3240791 2635417 3265888 2630999 3483557 2652990 2631049 3987481 5106846 4367329 3697789 3679849 4789805 3612489 4531433 3477207 4276563 3923953 4094820 3944412 4156228 4174335 3449717 3296699 5146054 5488723 5710292 4657528 3790927 4470298 5267712 serotonin 264766992 251092672 274284064 257531632 179921088 200295680 243285568 213189280 218827744 221864864 100301752 177112144 211878400 173503120 160652064 191956352 187375328 209912672 182597488 197766208 365136480 328051136 392272672 72030872 235982672 244354784 298329664 249119600 258844080 240526896 322590592 311344960 spermidine 10952768 9164086 7349854 12330567 3683242 8333951 16179310 7092517 15619795 17793048 23773168 22596648 36033104 15111002 17577460 25556940 50884780 42818452 40753268 43028100 44779916 41995576 56976196 55419716 46323712 51962040 14658674 2344581 12590147 29077996 29915114 12629976 spermine 248828 101526 154794 376007 186844 1239263 139917 304715 1212268 554541 588779 497915 483497 623696 766283 1327348 1895078 1920270 1014225 71468 299987 527591 90830 stachydrine 104832584 148166384 144142288 140775696 195248768 206102624 175333536 160225040 102076000 73480800 135812704 91107800 105994416 145978464 221137296 212379808 52526864 113900160 68710312 73225408 104491136 80056384 79250984 68695840 56889652 42930056 106765968 97483072 66845772 63077504 72892096 92566472 stearoylcarnitine 7090020 6521245 6148715 4746850 5432094 4863998 7197753 3943416 7860313 8775036 6751416 4905795 6712786 4014219 5879022 5833267 10343674 8307990 6372221 7275774 5681990 5373067 6793507 5855634 8495360 9250478 7829100 10269105 7376860 8930343 7553849 8189677 succinylcarnitine 1163950 1333758 1735315 3658512 1757853 1662293 1493791 1794256 1712948 2023993 1401036 1360066 2265335 2032957 1681573 2881326 1113977 1701235 1652409 2610067 1642033 1046705 1147757 1454894 1868663 1532844 929433 3091709 984544 1043857 1001926 1483660 threonine 77523760 86598264 86725528 87583792 101148736 113812024 94948448 91364608 117191560 114979584 103908288 100744760 91456600 109723688 105773784 115153584 100274704 115568184 114909504 115248808 135623536 104451376 116070128 105502112 101609712 123841464 146433728 143857712 113466664 102716616 124897104 128305080 thymidine 4698942 4748582 4260619 5768554 4968626 5258387 5704240 5888731 5344376 4086257 5649374 5027623 6489101 5872190 5482417 5991682 5983808 5272734 5610340 6095416 5127041 4841302 5560103 4967127 4733658 5326213 5357774 4685186 3661662 3877025 4547025 4191186 tigloylglycine 5049813 2948698 3394998 4606964 2471531 4371257 4530328 3601009 2913321 1369639 493395 1264257 1760945 1279127 766616 1412323 5819151 2578639 2784080 2386728 1484322 2998099 3347113 2945588 2019202 3161672 1299481 1635886 956457 1832412 2277917 1331941 tiglyl carnitine 621035 470051 730457 813206 889630 741267 852126 1087926 739388 556799 640800 909081 771466 1112483 1041044 1262175 671196 813513 585751 742960 400452 367046 524156 502941 463751 746346 598193 697034 288158 590701 542709 610738 trans-4-hydroxyproline 26227874 30022720 25438588 22477800 35314936 28634788 27210670 27610016 30241190 27853642 24559104 29881738 18940550 21584256 29383014 28918334 20522538 24054336 18827718 18768060 20730756 17712864 20188460 14740518 22273940 26818600 30332240 36955204 23793292 19513138 26940408 29610316 trans-urocanate 7462062 12424169 7575236 3392332 7750265 9250382 8440561 10513884 10398633 8827772 7750283 8490678 5950462 23040632 18294528 21399596 6684267 7436415 5739880 8204611 6538278 3377928 6793792 7970700 5290419 5397052 14041637 11811505 10445236 9618918 10221875 12314785 trigonelline (N'-methylnicotinate) 64389380 60011988 57425796 51277516 90902592 91760624 92217128 103775536 57595636 43213616 57247316 53363352 44019848 58380912 124101952 107701728 28682214 57446660 31119824 31238622 44365536 34909600 35025056 31825616 30341920 20222224 56877816 68001616 32730330 30049140 50651468 41244676 tryptophan 615899904 906425408 963928192 871737984 1054002880 993779904 871592000 1055721344 1256111744 1106345856 1222645632 1087726720 1375738112 1671383680 1900956288 1708336128 1117664128 1144597248 1235851264 1205604608 1324731008 1352233344 1224722176 1297936640 1173046272 1209286272 1465095552 1056280256 1432847360 1182572416 1235675008 1638879360 tyrosine 469691968 836324352 726136768 752501376 856281216 1149215360 1048054272 1105447168 933327104 907806144 763470080 841910528 882077632 1132703360 1056483840 1389437056 759610560 964160768 937550784 983353728 1004840000 916237056 1032910912 928738688 707484160 938153984 912710336 978726016 759450816 736184000 948636992 1065209536 uracil 2811310 2700626 1706025 2619459 1994025 3042702 2804697 1789375 4766829 3542984 3274324 2865839 3152425 1228667 845370 3733592 2479004 3294877 3045594 2787344 2259331 1507230 1693841 1489190 1556742 1542145 871100 1647192 770757 1054472 1042084 996310 urea 195316224 183402016 256831504 238145248 337744000 371199104 368787296 415146976 294590080 231880976 288013248 336353632 383541536 543060992 453644160 499672288 219287120 246923760 188266992 230123888 195867440 212847344 186749616 216569568 162952000 174488240 238910976 256257216 186624544 206702464 210926368 203603984 valerylcarnitine 1490621 1664965 1179701 1556531 774355 1423585 1279411 1058954 596505 976339 907278 832243 1224633 883165 565899 918554 1163044 1296424 1412979 1028184 1542954 1732108 1281324 1173394 1129599 1404795 708018 812556 633772 928744 1067464 1038875 valine 1058724800 1534473216 1390200832 1326188160 1927559424 2095039872 1857263616 1753400320 1745905024 1641101824 1472230144 1683303424 1468569216 1944556800 1847731072 2146408192 1573600000 1624436864 1536489344 1767380352 1622605056 1482130048 1633688064 1618982016 1216543232 1574990720 1636255488 1697365248 1286030592 1419927552 1695575296 1649320704 xanthosine 3101574 1375199 4871761 7397870 2979382 2846374 3203777 3171087 3155923 5325290 2913489 2684044 3241508 2797579 1830929 2789719 4026258 2265486 5783814 4514265 4146299 2207593 1913826 1127788 1522445 1188201 1514678 7862550 1816210 679188 1382701 975010 xanthurenate 906147 1041498 1685805 1690734 2220788 1566550 1315140 2522697 4702748 1376965 443231 1713247 1177907 3666272 2468548 3027505 1431787 1980716 1220556 2099030 1164115 1272448 1518767 1607780 577343 927341 1813367 2221774 600715 801133 1348004 1487874 metabolite_name SUPER_PATHWAY SUB_PATHWAY COMP_ID PLATFORM CHEMICAL_ID retention index MASS CAS PubChem ID CHEMSPIDER KEGG ID 1-(3-aminopropyl)-2-pyrrolidone Xenobiotics Chemical 40506 LC/MS Pos 100003263 1350 143.11789 7663-77-6 82111 74106 1-arachidonoyl-GPC (20:4)* Lipid Lysolipid 33228 LC/MS Pos 100001551 5552 544.33977 21403155 C05208 1-linolenoyl-GPC (18:3)* Lipid Lysolipid 45951 LC/MS Pos 100005350 5506 518.32412 1-linoleoyl-GPC (18:2) Lipid Lysolipid 34419 LC/MS Pos 100001395 5575.9 520.33977 11988421 10160888 C04100 1-methylimidazoleacetate Amino Acid Histidine Metabolism 32350 LC/MS Pos 100001208 833 141.06586 2625-49-2 75810 68319 C05828 1-methylnicotinamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 27665 LC/MS Pos 55 691.3 137.07094 1005-24-9 10129985 8305504 C02918 1-oleoyl-GPC (18:1) Lipid Lysolipid 48258 LC/MS Pos 100001272 5700 522.35542 19420-56-5 16081932 17240641 1-palmitoleoyl-GPC (16:1)* Lipid Lysolipid 33230 LC/MS Pos 100001511 5525 494.32412 24779461 21403152 1-palmitoyl-GPC (16:0) Lipid Lysolipid 33955 LC/MS Pos 100001263 5670 496.33977 17364-16-8 86554 78064 1-stearoyl-GPC (18:0) Lipid Lysolipid 33961 LC/MS Pos 100001271 5847 524.37107 19420-57-6 497299 435389 11-dehydrocorticosterone Lipid Steroid 39779 LC/MS Pos 100002781 4533.8 345.20604 72-23-1 2'-deoxycytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 15949 LC/MS Pos 100000125 1252.2 228.09789 951-77-9 13711 13117 C00881 2-aminoadipate Amino Acid Lysine Metabolism 6146 LC/MS Pos 381 793.3 162.07609 542-32-5;1118-90-7 469 456 C00956 2-aminobutyrate Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 42374 LC/MS Pos 1128 766.7 104.07061 1492-24-6 439691 388757 C02261 2-aminoheptanoate Lipid Fatty Acid, Amino 43761 LC/MS Pos 100004542 2530 146.11756 1115-90-8 227939 198338 2-aminooctanoate Lipid Fatty Acid, Amino 43343 LC/MS Pos 100004227 3355 160.13321 644-90-6 69522 62727 2-methylbutyrylcarnitine (C5) Amino Acid Leucine, Isoleucine and Valine Metabolism 45095 LC/MS Pos 100001509 2465 246.16999 31023-25-3 6426901 4932320 2-methylbutyrylglycine Amino Acid Leucine, Isoleucine and Valine Metabolism 31928 LC/MS Pos 100001155 2582.2 160.09682 52320-67-9 193872 168243 2-methylmalonyl carnitine Lipid Fatty Acid Synthesis 35482 LC/MS Pos 100001596 1552.7 262.12852 149181-64-6 53481628 21403178 2-oxindole-3-acetate Xenobiotics Food Component/Plant 40479 LC/MS Pos 100003109 3208 192.06552 2971-31-5 3080590 2338343 2-palmitoleoyl-GPC (16:1)* Lipid Lysolipid 35819 LC/MS Pos 100001561 5490 494.32412 21403164 2-palmitoyl-GPC (16:0)* Lipid Lysolipid 35253 LC/MS Pos 100001562 5610 496.33977 15061532 21403165 2-piperidinone Xenobiotics Food Component/Plant 43400 LC/MS Pos 100004295 2047 100.07569 675-20-7 12665 12144 2-stearoyl-GPC (18:0)* Lipid Lysolipid 35255 LC/MS Pos 100001555 5777 524.37107 10208382 8383879 3-methoxytyrosine Amino Acid Phenylalanine and Tyrosine Metabolism 12017 LC/MS Pos 1342 1771 212.09174 300-48-1 1670 8948 3-methylcrotonylglycine Amino Acid Leucine, Isoleucine and Valine Metabolism 31940 LC/MS Pos 100001149 2573.6 158.08117 33008-07-0 169485 148224 3-methylglutarylcarnitine (1) Amino Acid Lysine Metabolism 46547 LC/MS Pos 100005849 1870 290.15982 128145 113619 3-ureidopropionate Nucleotide Pyrimidine Metabolism, Uracil containing 3155 LC/MS Pos 1053 1090.6 133.06077 462-88-4 111 109 C02642 4-acetamidobutanoate Amino Acid Polyamine Metabolism 1558 LC/MS Pos 1113 1721.3 146.08117 3025-96-5 18189 17180 C02946 4-guanidinobutanoate Amino Acid Guanidino and Acetamido Metabolism 15681 LC/MS Pos 100000096 1150 146.09241 463-003;463-00-3 500 486 C01035 4-hydroxybutyrate (GHB) Lipid Fatty Acid, Monohydroxy 34585 LC/MS Pos 100001507 1480 87.04406 502-85-2 10413 9984 C00989 4-imidazoleacetate Amino Acid Histidine Metabolism 32349 LC/MS Pos 100001207 757 127.05021 645-65-8 96215 86856 C02835 5,6-dihydrothymine Nucleotide Pyrimidine Metabolism, Thymine containing 1418 LC/MS Pos 158 1654.2 129.06586 696-04-8 93556 84456 C00906 5,6-dihydrouracil Nucleotide Pyrimidine Metabolism, Uracil containing 1559 LC/MS Pos 1125 1148 115.05021 504-07-4 649 629 C00429 5-hydroxyindoleacetate Amino Acid Tryptophan Metabolism 437 LC/MS Pos 71 2559.9 192.06552 54-16-0 1826 1760 C05635 5-methyl-2'-deoxycytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 38159 LC/MS Pos 100002300 1481 242.11354 838-07-3 440055 389065 C03592 5-methylthioadenosine (MTA) Amino Acid Polyamine Metabolism 1419 LC/MS Pos 212 2444.9 298.09684 2457-80-9 439176 388321 C00170 6-oxopiperidine-2-carboxylic acid Xenobiotics Drug 43231 LC/MS Pos 100004499 1826.6 144.06552 34622-39-4 3014237 2282737 7-methylguanine Nucleotide Purine Metabolism, Guanine containing 35114 LC/MS Pos 100001456 1395.6 166.07234 578-76-7 11361 10883 C02242 acetylcarnitine Lipid Fatty Acid Metabolism(Acyl Carnitine) 32198 LC/MS Pos 100000802 1166.9 204.12304 5080-50-2 1 5406074 C02571 acisoga Amino Acid Polyamine Metabolism 43258 LC/MS Pos 100004541 2290 185.12846 106692-36-8 129397 114601 adenine Nucleotide Purine Metabolism, Adenine containing 554 LC/MS Pos 880 1002 136.06178 73-24-5 190 185 C00147 adenosine Nucleotide Purine Metabolism, Adenine containing 555 LC/MS Pos 798 1625.3 268.10404 58-61-7 60961 54923 C00212 adenosine 5'-monophosphate (AMP) Nucleotide Purine Metabolism, Adenine containing 32342 LC/MS Pos 209 1208 348.07037 149022-20-8 6083 10239183 C00020 adipate Lipid Fatty Acid, Dicarboxylate 21134 LC/MS Pos 100000863 2460.4 147.06519 124-04-9 196 191 C06104 alanine Amino Acid Alanine and Aspartate Metabolism 1126 LC/MS Pos 811 696 90.05496 56-41-7 5950 5735 C00041 anthranilate Amino Acid Tryptophan Metabolism 4970 LC/MS Pos 1258 3220 138.05496 118-92-3 227 222 C00108 arginine Amino Acid Urea cycle; Arginine and Proline Metabolism 1638 LC/MS Pos 231 700 175.11896 1119-34-2 232 227 C00062 beta-hydroxyisovaleroylcarnitine Amino Acid Leucine, Isoleucine and Valine Metabolism 35433 LC/MS Pos 100001594 1701 262.1649 99159-87-2 21403176 betaine Amino Acid Glycine, Serine and Threonine Metabolism 3141 LC/MS Pos 799 734 118.08626 107-43-7 247 24219951173 C00719 biopterin Cofactors and Vitamins Tetrahydrobiopterin Metabolism 12358 LC/MS Pos 1548 1562.7 238.09347 22150-76-1 445040 392795 C06313 butyrylcarnitine Lipid Fatty Acid Metabolism (also BCAA Metabolism) 32412 LC/MS Pos 100001054 1977 232.15434 25576-40-3 439829 184820 C02862 C-glycosyltryptophan Amino Acid Tryptophan Metabolism 48782 LC/MS Pos 100006379 1907 367.14998 180509-18-6 10981970 9157171 carnitine Lipid Carnitine Metabolism 15500 LC/MS Pos 100000007 688.9 162.11247 461-05-2 10917 10455 C00318 choline Lipid Phospholipid Metabolism 15506 LC/MS Pos 1256 675 104.10699 67-48-1 305 149278 C00114 cis-4-decenoyl carnitine Lipid Fatty Acid Metabolism(Acyl Carnitine) 38178 LC/MS Pos 100002259 4468 314.23259 98930-66-6 citrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 2132 LC/MS Pos 391 730.3 176.10297 372-75-8 9750 810 C00327 corticosterone Lipid Steroid 5983 LC/MS Pos 272 4851.2 347.22169 50-22-6 5753 5550 C02140 creatine Amino Acid Creatine Metabolism 27718 LC/MS Pos 1221 771 132.07676 57-00-1 586 566 C00300 creatinine Amino Acid Creatine Metabolism 513 LC/MS Pos 275 730.8 114.06619 60-27-5 588 568 C00791 cysteine-glutathione disulfide Amino Acid Glutathione Metabolism 46734 LC/MS Pos 100001437 824 427.09519 13081-14-6 4247235 3455404 cytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 514 LC/MS Pos 827 1075.9 244.0928 65-46-3 6175 5940 C00475 cytidine 5'-monophosphate (5'-CMP) Nucleotide Pyrimidine Metabolism, Cytidine containing 2372 LC/MS Pos 282 890 324.05914 63-37-6 6131 5414497 C00055 daidzein Xenobiotics Food Component/Plant 32453 LC/MS Pos 100001219 4179 255.06519 486-66-8 5281708 4445025 C10208 deoxycarnitine Lipid Carnitine Metabolism 36747 LC/MS Pos 100001662 742.4 146.11756 6249-56-5 134 705 C01181 dihydrobiopterin Cofactors and Vitamins Tetrahydrobiopterin Metabolism 35129 LC/MS Pos 100001506 1515 240.10912 6779-87-9 1879 1808 C00268 dimethyl sulfone Xenobiotics Chemical 43424 LC/MS Pos 100004284 1035 95.01613 67-71-0 6213 5978 C11142 dimethylarginine (SDMA + ADMA) Amino Acid Urea cycle; Arginine and Proline Metabolism 36808 LC/MS Pos 100001810 810 203.15026 102783-24-4 123831 110375 C03626 dimethylglycine Amino Acid Glycine, Serine and Threonine Metabolism 5086 LC/MS Pos 806 719.4 104.07061 1118-68-9 673 653 C01026 ectoine Xenobiotics Chemical 35651 LC/MS Pos 100001635 823 143.08151 96702-03-3 126041 112069 C06231 ergothioneine Xenobiotics Food Component/Plant 37459 LC/MS Pos 100002154 823 230.09578 58511-63-0 3032311 2297320 C05570 gamma-glutamyl-epsilon-lysine Peptide Gamma-glutamyl Amino Acid 33934 LC/MS Pos 100001262 760 276.1554 17105-15-6 65254 58747 gamma-glutamylalanine Peptide Gamma-glutamyl Amino Acid 37063 LC/MS Pos 100001843 1116 219.09755 5875-41-2 440103 389104 gamma-glutamylglutamate Peptide Gamma-glutamyl Amino Acid 36738 LC/MS Pos 331 1045 277.10303 1116-22-9 92865 83831 C05282 gamma-glutamylglutamine Peptide Gamma-glutamyl Amino Acid 2730 LC/MS Pos 1140 817.9 276.11902 10148-81-9 150914 133013 C05283 gamma-glutamylisoleucine* Peptide Gamma-glutamyl Amino Acid 34456 LC/MS Pos 100001485 2661 261.1445 14253342 21403145 gamma-glutamylleucine Peptide Gamma-glutamyl Amino Acid 18369 LC/MS Pos 1268 2757.2 261.1445 2566-39-4 151023 133115 gamma-glutamylmethionine Peptide Gamma-glutamyl Amino Acid 44872 LC/MS Pos 100001313 2016.5 279.10092 17663-87-5 7009567 5373147 gamma-glutamylphenylalanine Peptide Gamma-glutamyl Amino Acid 33422 LC/MS Pos 100000491 2865 295.12885 7432-24-8 111299 99868 gamma-glutamylthreonine* Peptide Gamma-glutamyl Amino Acid 33364 LC/MS Pos 100001314 996.6 249.10812 5652-48-2 21403107 gamma-glutamyltryptophan Peptide Gamma-glutamyl Amino Acid 33947 LC/MS Pos 100001295 3035 334.13975 66471-20-3 3989307 2302065 gamma-glutamyltyrosine Peptide Gamma-glutamyl Amino Acid 2734 LC/MS Pos 1102 2080.4 311.12377 7432-23-7 94340 85142 gamma-glutamylvaline Peptide Gamma-glutamyl Amino Acid 43829 LC/MS Pos 100001126 2045 247.12885 2746-34-1 7015683 glutamate Amino Acid Glutamate Metabolism 57 LC/MS Pos 561 710 148.06044 56-86-0 611 591 C00025 glutamine Amino Acid Glutamate Metabolism 53 LC/MS Pos 563 680 147.07642 56-85-9 5961 5746 C00064 glutarylcarnitine (C5) Amino Acid Lysine Metabolism 44664 LC/MS Pos 100001593 1583.3 276.14417 102636-82-8 71464488 21403175 glutathione, oxidized (GSSG) Amino Acid Glutathione Metabolism 38783 LC/MS Pos 448 1512 307.08326 103239-24-3 65359 58835 C00127 glycerophosphorylcholine (GPC) Lipid Phospholipid Metabolism 15990 LC/MS Pos 100000269 709.9 258.1101 28319-77-9 71920 571409 C00670 glycitein Xenobiotics Food Component/Plant 34024 LC/MS Pos 100001222 4248 285.07575 40957-83-3 5317750 4476508 C14536 glycylisoleucine Peptide Dipeptide 36659 LC/MS Pos 100001790 2080 189.12337 19461-38-2 88079 19972556 glycylleucine Peptide Dipeptide 34398 LC/MS Pos 100001258 2190.9 189.12337 869-19-2 92843 83812 C02155 glycylvaline Peptide Dipeptide 18357 LC/MS Pos 100000487 1561.6 175.10772 1963-21-9 97417 2006926 guanidinosuccinate Amino Acid Guanidino and Acetamido Metabolism 32446 LC/MS Pos 100001212 742.9 176.06659 6133-30-8 97856 88329 C03139 guanine Nucleotide Purine Metabolism, Guanine containing 32352 LC/MS Pos 172 1035 152.05669 73-40-5 764 744 C00242 guanosine 5'- monophosphate (5'-GMP) Nucleotide Purine Metabolism, Guanine containing 2849 LC/MS Pos 347 1300 364.06528 1333479 6804 741 C00144 heme Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 41754 LC/MS Pos 100001386 5003 616.1762 14875-96-8 26945 C00032 hexanoylcarnitine Lipid Fatty Acid Metabolism(Acyl Carnitine) 32328 LC/MS Pos 100000781 3194 260.18564 6920-35-0 6426853 4932273 homocitrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 22138 LC/MS Pos 100000963 821.7 190.11862 1190-49-4 65072 58582 C02427 homostachydrine* Xenobiotics Food Component/Plant 33009 LC/MS Pos 100001550 1211 158.11756 1195-94-4 441447 390180 C08283 hydroxybutyrylcarnitine* Lipid Fatty Acid Metabolism(Acyl Carnitine) 43264 LC/MS Pos 100003926 1477 248.14925 53481617 imidazole lactate Amino Acid Histidine Metabolism 15716 LC/MS Pos 100000263 782.7 157.06077 14403-45-3 440129 389128 C05568 imidazole propionate Amino Acid Histidine Metabolism 40730 LC/MS Pos 100003434 1020 141.06586 1074-59-5 70630 63798 indoleacetate Amino Acid Tryptophan Metabolism 27513 LC/MS Pos 100001034 3766.3 176.07061 6505-45-9 802 780 C00954 indolelactate Amino Acid Tryptophan Metabolism 18349 LC/MS Pos 100000463 3514 206.08117 832-97-3 92904 83867 C02043 indolepropionate Amino Acid Tryptophan Metabolism 32405 LC/MS Pos 100001083 4147.9 190.08626 830-96-6 3744 3613 indolin-2-one Xenobiotics Food Component/Plant 43374 LC/MS Pos 100004318 3386 134.06004 59-48-3 321710 284794 C12312 isobutyrylcarnitine Amino Acid Leucine, Isoleucine and Valine Metabolism 33441 LC/MS Pos 100001055 1955.1 232.15434 25518-49-4 168379 isobutyrylglycine Amino Acid Leucine, Isoleucine and Valine Metabolism 35437 LC/MS Pos 100001590 2009 146.08117 15926-18-8 10855600 9030891 isoleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 1125 LC/MS Pos 376 1599 132.10191 73-32-5 6306 769 C00407 isoleucylglycine Peptide Dipeptide 40008 LC/MS Pos 100003169 1740 189.12337 868-28-0 342532 303621 isovalerylcarnitine Amino Acid Leucine, Isoleucine and Valine Metabolism 34407 LC/MS Pos 100001393 2504.9 246.16999 31023-24-2 6426851 4932271 kynurenine Amino Acid Tryptophan Metabolism 15140 LC/MS Pos 100000265 1902.1 209.09207 2922-83-0 161166 141580 C00328 laurylcarnitine Lipid Fatty Acid Metabolism(Acyl Carnitine) 34534 LC/MS Pos 100001392 5070 344.27954 25518-54-1 10427569 8602997 leucine Amino Acid Leucine, Isoleucine and Valine Metabolism 60 LC/MS Pos 397 1680.2 132.10191 61-90-5 6106 5880 C00123 linoleoylcarnitine* Lipid Fatty Acid Metabolism(Acyl Carnitine) 46223 LC/MS Pos 100003151 5190 424.34214 36816-10-1 6450015 4952667 lysine Amino Acid Lysine Metabolism 1301 LC/MS Pos 407 613.8 147.11281 56-87-1 5962 5747 C00047 methionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1302 LC/MS Pos 415 1250 150.05833 63-68-3 6137 5907 C00073 methionine sulfoxide Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 18374 LC/MS Pos 100000039 741.1 166.05325 3226-65-1 158980 139840 C02989 methyl glucopyranoside (alpha + beta) Xenobiotics Food Component/Plant 46144 LC/MS Pos 100005864 1090 212.11268 methyl indole-3-acetate Xenobiotics Food Component/Plant 1584 LC/MS Pos 1104 4350 190.08626 1912-33-0 74706 67279 myristoleoylcarnitine* Lipid Fatty Acid Metabolism(Acyl Carnitine) 48182 LC/MS Pos 100006051 5120 370.29471 889848-55-9 myristoylcarnitine Lipid Fatty Acid Metabolism(Acyl Carnitine) 33952 LC/MS Pos 100001270 5142.1 372.31084 18822-89-4 53477791 4932274 N-6-trimethyllysine Amino Acid Lysine Metabolism 1498 LC/MS Pos 189 690 189.15976 23284-33-5 440120 140379 C03793 N-acetyl-1-methylhistidine* Amino Acid Histidine Metabolism 43255 LC/MS Pos 100004299 987 212.1028 N-acetyl-3-methylhistidine* Amino Acid Histidine Metabolism 43256 LC/MS Pos 100002204 917 212.10297 37841-04-6 193270 19993498 N-acetyl-aspartyl-glutamate (NAAG) Amino Acid Glutamate Metabolism 35665 LC/MS Pos 100001612 1575.4 305.09795 3106-85-2 5255 5065 C12270 N-acetyl-beta-alanine Nucleotide Pyrimidine Metabolism, Uracil containing 37432 LC/MS Pos 100002102 1471 132.06552 3025-95-4 76406 68881 C01073 N-acetylarginine Amino Acid Urea cycle; Arginine and Proline Metabolism 33953 LC/MS Pos 100001266 1116 217.12952 155-84-0 67427 60752 C02562 N-acetylasparagine Amino Acid Alanine and Aspartate Metabolism 33942 LC/MS Pos 100001257 961.6 175.07134 4033-40-3 99715 90090 N-acetylcarnosine Peptide Dipeptide Derivative 43488 LC/MS Pos 100004046 1166 269.12444 56353-15-2 9903482 8079136 N-acetylglutamate Amino Acid Glutamate Metabolism 15720 LC/MS Pos 100000282 1492 190.071 1430871 70914 1266066 C00624 N-acetylglutamine Amino Acid Glutamate Metabolism 33943 LC/MS Pos 100001253 1193 189.08699 2490-97-3 182230 158492 C02716 N-acetylhistidine Amino Acid Histidine Metabolism 33946 LC/MS Pos 100001293 848 198.08732 39145-52-3 75619 68142 C02997 N-acetylkynurenine (2) Amino Acid Tryptophan Metabolism 48757 LC/MS Pos 100006378 3114 251.10264 N-acetylputrescine Amino Acid Polyamine Metabolism 37496 LC/MS Pos 192 840 131.11789 18233-70-0 122356 109095 C02714 N-delta-acetylornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 43249 LC/MS Pos 100004523 887 175.10772 9920500 8096135 N-methylpipecolate Xenobiotics Chemical 47101 LC/MS Pos 100005383 1129 144.10191 41447-17-0 11862129 9461516 N-methylproline Amino Acid Urea cycle; Arginine and Proline Metabolism 37431 LC/MS Pos 100001956 831 130.08626 475-11-6 557 541 N1-Methyl-2-pyridone-5-carboxamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 40469 LC/MS Pos 100001468 1688 153.06586 701-44-0 69698 62899 C05842 N1-methyladenosine Nucleotide Purine Metabolism, Adenine containing 15650 LC/MS Pos 1242 1399 282.11969 15763-06-1 27476 4573813 C02494 N1-methylguanosine Nucleotide Purine Metabolism, Guanine containing 31609 LC/MS Pos 100001122 1869 298.1146 2140-65-0 96373 86996 N2,N2-dimethylguanosine Nucleotide Purine Metabolism, Guanine containing 35137 LC/MS Pos 100001412 2168 312.13025 2140-67-2 92919 83878 N2-acetyllysine Amino Acid Lysine Metabolism 36751 LC/MS Pos 100001721 836 189.12337 1946-82-3 92907 83869 C12989 N4-acetylcytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 35130 LC/MS Pos 100001413 2040 286.10337 3768-18-1 107461 96702 N6-acetyllysine Amino Acid Lysine Metabolism 36752 LC/MS Pos 100001734 1140 189.12337 692-04-6 92832 83801 C02727 N6-carbamoylthreonyladenosine Nucleotide Purine Metabolism, Adenine containing 35157 LC/MS Pos 100001415 2673 413.14154 24719-82-2 161466 141829 N6-succinyladenosine Nucleotide Purine Metabolism, Adenine containing 48130 LC/MS Pos 100001664 2222 384.11499 4542-23-8 nicotinamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 594 LC/MS Pos 432 1271.1 123.05529 98-92-0 936 911 C00153 nicotinate ribonucleoside Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 33471 LC/MS Pos 100001316 1085 256.08157 2625-49-2 161234 141635 C05841 octanoylcarnitine Lipid Fatty Acid Metabolism(Acyl Carnitine) 33936 LC/MS Pos 100001247 4090 288.21694 3671-77-0 123701 110274 C02838 oleoylcarnitine Lipid Fatty Acid Metabolism(Acyl Carnitine) 35160 LC/MS Pos 100001501 5215 426.35779 38677-66-6 6441392 21403150 ophthalmate Amino Acid Glutathione Metabolism 34592 LC/MS Pos 100001311 1462 290.13467 495-27-2 7018721 7993181 ornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 1493 LC/MS Pos 444 614 133.09716 3184-13-2 6262 6026 C00077 palmitoylcarnitine Lipid Fatty Acid Metabolism(Acyl Carnitine) 44681 LC/MS Pos 100000776 5204 400.34214 6865-14-1 461 448 C02990 phenylacetylglycine Amino Acid Phenylalanine and Tyrosine Metabolism 33945 LC/MS Pos 100001275 3090 194.08117 500-98-1 68144 61452 C05598 phenylalanine Amino Acid Phenylalanine and Tyrosine Metabolism 64 LC/MS Pos 460 2050 166.08626 63-91-2 6140 5910 C00079 phenylcarnitine* Xenobiotics Chemical 43265 LC/MS Pos 100004555 2629.9 266.13869 105450-08-6 phenylpropionylglycine Amino Acid Phenylalanine and Tyrosine Metabolism 35434 LC/MS Pos 100001591 3625 208.09682 56613-60-6 152323 134261 picolinate Amino Acid Tryptophan Metabolism 1512 LC/MS Pos 1022 1117 124.03931 98-98-6 1018 993 C10164 pipecolate Amino Acid Lysine Metabolism 1444 LC/MS Pos 1025 1120 130.08626 4043-87-2 849 826 C00408 pro-hydroxy-pro Amino Acid Urea cycle; Arginine and Proline Metabolism 35127 LC/MS Pos 100001167 950 229.11829 18684-24-7 11673055 9847785 proline Amino Acid Urea cycle; Arginine and Proline Metabolism 1898 LC/MS Pos 480 805 116.07061 147-85-3 145742 128566 C00148 prolylglycine Peptide Dipeptide 40703 LC/MS Pos 100003674 875 173.09207 2578-57-6 7408076 4932143 propionylcarnitine Lipid Fatty Acid Metabolism (also BCAA Metabolism) 32452 LC/MS Pos 100001162 1590 218.13869 17298-37-2 107738 96904 C03017 pyridoxal Cofactors and Vitamins Vitamin B6 Metabolism 1651 LC/MS Pos 491 1203 168.06552 65-22-5 1050 1021 C00250 pyroglutamine* Amino Acid Glutamate Metabolism 46225 LC/MS Pos 100001540 750 129.06586 2353-44-8 134508 118562 riboflavin (Vitamin B2) Cofactors and Vitamins Riboflavin Metabolism 1827 LC/MS Pos 500 3098.3 377.14557 83-88-5 493570 431981 C00255 S-methylcysteine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 39592 LC/MS Pos 100002749 848 119.01613 1187-84-4 24417 22826 S-methylglutathione Amino Acid Glutathione Metabolism 33944 LC/MS Pos 100001259 1600 322.10674 2922-56-7 3605667 2841309 C11347 serine Amino Acid Glycine, Serine and Threonine Metabolism 1648 LC/MS Pos 503 676.7 106.04987 56-45-1 5951 5736 C00065 serotonin Amino Acid Tryptophan Metabolism 2342 LC/MS Pos 504 1654 177.10224 153-98-0 5202 5013 C00780 spermidine Amino Acid Polyamine Metabolism 485 LC/MS Pos 50 533.5 146.16518 124-20-9 1102 1071 C00315 spermine Amino Acid Polyamine Metabolism 603 LC/MS Pos 507 500.4 203.22303 71-44-3 1103 1072 C00750 stachydrine Xenobiotics Food Component/Plant 34384 LC/MS Pos 100001296 838.7 144.10191 4136-37-2 115244 103115 C10172 stearoylcarnitine Lipid Fatty Acid Metabolism(Acyl Carnitine) 34409 LC/MS Pos 100001391 5256 428.37344 18822-91-8 6426855 21233653 succinylcarnitine Energy TCA Cycle 37058 LC/MS Pos 100001948 1419 262.12852 threonine Amino Acid Glycine, Serine and Threonine Metabolism 1284 LC/MS Pos 564 701.5 120.06552 72-19-5 6288 6051 C00188 thymidine Nucleotide Pyrimidine Metabolism, Thymine containing 2183 LC/MS Pos 872 1979.5 243.09755 50-89-5 5789 5585 C00214 tigloylglycine Amino Acid Leucine, Isoleucine and Valine Metabolism 1598 LC/MS Pos 1161 2518 158.08117 35842-45-6 6441567 4945715 tiglyl carnitine Amino Acid Leucine, Isoleucine and Valine Metabolism 35428 LC/MS Pos 100001597 2354 244.15434 64191-86-2 22833596 17216200 trans-4-hydroxyproline Amino Acid Urea cycle; Arginine and Proline Metabolism 32306 LC/MS Pos 1001 685 132.06552 51-35-4 5810 5605 C01157 trans-urocanate Amino Acid Histidine Metabolism 607 LC/MS Pos 537 1125.4 139.05021 104-98-3 736715 643824 C00785 trigonelline (N'-methylnicotinate) Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 32401 LC/MS Pos 100001092 771.8 138.05496 535-83-1 5570 5369 C01004 tryptophan Amino Acid Tryptophan Metabolism 54 LC/MS Pos 565 2440 205.09716 73-22-3 6305 6066 C00078 tyrosine Amino Acid Phenylalanine and Tyrosine Metabolism 1299 LC/MS Pos 815 1516.3 182.08117 60-18-4 6057 5833 C00082 uracil Nucleotide Pyrimidine Metabolism, Uracil containing 605 LC/MS Pos 825 1152.2 113.03456 66-22-8 1174 1141 C00106 urea Amino Acid Urea cycle; Arginine and Proline Metabolism 1670 LC/MS Pos 533 739 121.07201 57-13-6 1176 1143 C00086 valerylcarnitine Lipid Fatty Acid Metabolism(Acyl Carnitine) 34406 LC/MS Pos 100001394 2555 246.16999 6426903 4932322 valine Amino Acid Leucine, Isoleucine and Valine Metabolism 1649 LC/MS Pos 566 1042.1 118.08626 72-18-4 6287 6050 C00183 xanthosine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 15136 LC/MS Pos 100000299 1827 285.08296 146-80-5 64959 58484 C01762 xanthurenate Amino Acid Tryptophan Metabolism 15679 LC/MS Pos 100000015 2655.6 206.04479 59-007 5699 5497 C02470