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-linoleoyl-GPC (18:2) 53845596 30112094 47788968 15228264 31697664 18649226 18973608 14874180 20711826 20048204 32322540 23735468 12822475 17000072 7755187.5 15742975 26567704 33695616 28397316 63171700 25980292 27584722 18182120 16018952 15950317 24877684 26296244 27719296 13701158 17778224 15029340 13247176 1-methylhistamine 9442731 8214617 3355699 10962115 2156842.5 4916404 3788873 6166880 7497486.5 7231945 5092033 6933253 2915450.75 3881670 6544118 3705375 3276882.5 3817473 3105768 4502060 3181641 5005383 4062064 3143331 3932115 3280000 6315426 4476749 3131206 4739085 5079957 2286544 1-methylhistidine 2298215 2080875 1777514 2052905 2001080 2231434 1918234 1853922 1831183 1414351 3290600 1470975 1526384 1961396 1733748 1695180 3796575 2736626 3903467 3601158 4400915 3771992 3533547 3868185 1648495 3025415 3225724 3358692 2581118 2180410 2125208 2259564 1-methylimidazoleacetate 8753886 8805498 7960014 5798613 6240168 6787424 7368694 9181291 6847797 4890621 1990433 5754588 5270230 9894707 12768672 8477605 13108062 9907806 7373941 6776759 5907913 5573585 6654652 8469006 9269267 15396291 8428789 7118112 12303800 10406112 13569128 10646751 1-methylnicotinamide 1235230 1937211 2595780.75 2511246 2270916 2577462 2157095 1741494.125 2343927 2091979 6282937 2415166 2890395 2245600 2584790 2997276 2146130 1460918 2805157 3618616 3419862 2783434 3321808 3117342 2606257.75 2515882 2319245 2627064.25 2597464.75 2811583 2722222.75 2177676 1-oleoyl-GPC (18:1) 53329784 64375012 84657432 20185918 16123352 22960368 12067704 21820724 29828458 18318540 53262324 18114976 16962546 15040809 9981086 12141817 24946624 37322300 26101744 131729376 18475174 44045364 17706780 16654610 24544182 25137170 53067548 27828712 24350634 14943889 22846696 23141680 1-palmitoleoyl-GPC (16:1)* 58726864 51909012 73413352 35452028 31044042 30055322 24256904 30233830 37967996 29396390 88828048 31333154 24212820 33893140 17879732 22487454 34215380 52726720 44013412 90135640 37484824 64870188 33241872 30757916 38620280 43254128 55335176 41253628 37640588 26398884 31049958 32082116 1-palmitoyl-GPC (16:0) 1078033792 982653504 1254854656 718864960 400428768 571357184 359069696 563748864 737072128 408184800 1035356800 468674624 440124096 363820160 264016112 315341632 457325856 711886400 565006656 1265500544 383766944 967916736 357840896 349413312 491583712 495401248 785714880 571312896 488406816 311027328 485797600 399367648 1-stearoyl-GPC (18:0) 423691776 480395136 526628096 362066304 321514848 419193664 340634208 368548864 498843968 352606560 458393920 375751104 277524480 292113472 250789888 267920384 423236160 507488384 380619648 763283968 280160480 498416000 282254528 245389744 448671936 384497024 571194944 468580608 313646272 263362288 389230080 256603360 1-stearoyl-GPE (18:0) 58197936 58077344 54183536 44136716 40825204 47057428 36560684 39301984 50706184 33440698 50944536 34981048 23411460 30230984 25983322 25063460 51055780 47019576 39848140 64436384 29721900 46925528 29662524 26791920 40265740 42231376 49040432 40582488 31097202 26310926 33950944 27150656 11-dehydrocorticosterone 180901 144052 353313 125148 284465 1507103 471995 205889 528890 1879117 884707 950319 1237434 1451564 1534572 386226 524125 1157163 911017 516674 774746 582382 372938 548706 308093 252375 2'-deoxyadenosine 5'-monophosphate 672889 419858 522432 812081 1021812 579580 721881 699615 939964 571825 1679786 849148 848000 1148244 524471 864376 155051 828211.0625 373192 628268 657329 334493.9688 406197.0313 798209 746370 397216 579235 431435 170910 685918 765414 636142 2'-deoxyuridine 317684 426726.9688 317198 389104 350742 338616 265922 337822 342210 221440 1309453 254119 316166 295014 258505 240097 459665 466310.9688 384574 339383 369237 320082 402193.0313 378551 422167 349963 493674 452050.0313 289987 373872 463238.0313 440879.0313 2-aminoadipate 49166072 49044580 57267200 52391936 50192812 54227672 55539820 50781720 39220504 48119272 41604288 38286428 38524640 39155920 40514308 48091912 49415676 39819512 47258940 52812880 51074800 48050664 45963356 53632288 40393952 47399668 45581352 47711136 41442928 47601752 48579488 37333160 2-aminoheptanoate 4371495 5148703 5193430 6420692 5523414 5606023 4002719 5286667 4377050 4575140 4141046 4210654 3947955 4125203 4568262 4235813 1748504 2652411 3559285 4603808.5 3797236 3822400 4345827 4018788 4085649 4142040 5500915 4951078 3267497 4672956 4382329 3499380 2-aminooctanoate 1193298 1020263 1035951 1337884 988705 1104275 1138876 1060969 1290187 2283558 1642105 1118831 1590374 1265872 1937305 1391274 1323430 1910139 1752536 2131056 1981734 2357872 2420251 2450837 1245045 1622911 1948133.125 2439061 1684108.875 2348228 1576835 1690154.125 2-methylbutyrylcarnitine (C5) 14836160 18602116 19409594 17684868 31089722 25327396 25261792 28433692 22069792 17789340 10998643 22660528 18764036 30166548 26760598 31023492 16022157 18630924 14163382 21331142 15385310 12664671 17581610 18946254 19585548 20666644 15516865 13178723 11427733 16273822 19517808 18674100 2-methylmalonyl carnitine 415495.9688 335819 327822.9688 418452 371930 324192 356499 421771 353804 369376 162276.9844 321752 291780 299747 324482.9688 302511 106368 282908 270026 272425 272502 249829 245336 294312 314807.0313 299482 184903 262912 203341 2-palmitoleoyl-GPC (16:1)* 227983488 203206320 241352864 165291808 183860752 80002216 105179576 68178968 104193192 145874368 168721888 169649840 76142728 158603472 51450248 117671616 202490160 133356072 205480736 163769936 167721312 343075296 144545040 132935552 100189472 223357200 149219920 202448480 109595832 133838944 91542216 85511528 2-palmitoyl-GPC (16:0)* 995419392 654859776 761887488 444036992 646449088 355812480 384851424 371138976 501046688 545820672 455944576 537330816 264407712 468546048 230340384 427495456 550455360 463145760 578861312 749578880 463029952 595482112 430087904 399027712 329692032 602784960 477122016 543197120 338788960 363621600 211667504 270138944 2-stearoyl-GPC (18:0)* 30118672 20992732 30875186 8566805 16290182 10361399 20449144 10700151 14103761 25022272 12047045 26163406 7493414 17843012 6643630 18047402 27392656 15323971 26145728 40519572 21749502 15967470 21855000 18242904 12744538 30432296 18424868 36675432 9652287 19287622 10273328 7111254 2-stearoylglycerol (18:0) 2996280 1156065 2366245 1379269 1342997 1098605 1159064 766880 1657453 1510012 1344673 1536716 1141694 452679 839634 3562084 1944868.125 2365329 3654136 1706217 2179095 1569534.125 1684967 1154637 2550539 2209578 2703557 1105211 1916196 1354102 1057901 3-methylglutarylcarnitine (1) 828359 785858 618326 732576 1975149 672506 669413 880486 408133 349377 669313 336836 441210 1041750 377770 733699 143736 515204 662292 148467 368032 362145 81383 186770 971489 718225 894629.0625 1149429 272228 781483 84478 3-ureidopropionate 1987619 1965505 953126 1455797.875 3017797 2529217 2058114 1516419 1696350.125 1085562 1260288 908846 959062 2282250 1417276 1919438 919777 1138550 1360960 1390598 525305 504823 846164 537603 1165126 1222441 840809 1369498 821436 523486 1289801 628267.9375 4-guanidinobutanoate 3904481 3601711 3070180 2524519 6133837 3545286 2877638 4285973 2960810 2267999 3275630 3056220 3198366 11884773 6228930 7078939 778160 1424299 807820 803763 1179757 847025 2008603 1199781 2048594 2115356 901324 1519427 1974229 1298897.125 2254654 1047190 5-aminovalerate 90340184 92533528 86597112 88461976 66825232 66195604 65713056 75680984 70412456 89817848 90698056 57215032 59414824 47312512 49296272 69957320 80930600 77427024 63203524 114104456 82739040 55165324 60805028 55593752 52687800 75880432 83865808 61387596 55973860 81796456 51954680 61466516 5-hydroxyindoleacetate 7707481 4174619 5697625 3822895 5441887 4422409 3459788 3686397 5751869 4940952 267675 1818722 2821275 5519337 5747694 4749917 3008342 5724000 4893387 4637003 5494706 2690634.25 4168032 4486001 4636985 5226749 3162069 4343291 3933430 2944789 4656420 4328198 5-methyl-2'-deoxycytidine 1252581 1480047.375 1212858.5 1043362 1396127 1097712 1009670 1109065 1278187 862210 3117333.75 1164912.25 1010243.188 1276021 1032402.813 636019 960680 1560497.875 976670 995488 954068 853021 1078977 1231302.125 1057603 1387717 1309556 1155847 871315 1262260 1523270.875 1380195 5-methylthioadenosine (MTA) 19098230 14789691 17961244 14720473 18115228 16876226 18336304 17495486 25287604 22991706 19197240 19911464 19999358 16652201 18571284 20742022 19307392 25522304 22226416 22859640 27032064 21344250 23166700 26126504 27305820 23295290 22067034 22023786 20245564 24532390 25558188 25312104 7-hydroxycholesterol (alpha or beta) 26852576 21662764 32814326 18200346 18559904 17094516 11568928 15240117 12852327 12658909 11004994 13623541 6669158.5 11959327 11528382 8991364 10199651 12855760 14160356 28830772 12533714 17248872 14090024 11609194 9377233 14585618 17732956 17674336 6688321 9245192 7678464.5 4896120 7-methylguanine 1153867 658212 832000 974430 1171014 798662 1174691 1251742 1174164 1176220 1157802 1376022 1303518 1256109 815785 1025862.938 687000 837437 930750 869718 701417 257702 728453 735993 919098 934276 1134689 872787 620697 1068019 778123 573544 acetylcarnitine 1349777664 1611608320 1400343552 1598696832 1225216000 1553587200 1658670720 1333337088 1334549632 1499715328 1375432448 1706749184 1835273600 1302703104 1084601216 1363804032 1618143232 1586708608 1393767680 1640975744 1398046208 1533862528 1782294144 1624196352 1568827392 1131083264 1464044800 1547795840 984431424 1452109312 1751205888 1035304704 adenine 12444029 13846223 14887536 9547659 14799785 16295617 14787981 10423035 32541374 28406080 38762816 21142580 17855796 16369299 6656269 17858636 7527428.5 13882987 8776657 8370438 8407126 9753155 5241987 7603621 18086758 8136155.5 13306860 16081927 11107063 14342504 24867078 11870637 adenosine 6205581 6710080 7850657 4892680 8235138.5 6382594 7264842 6817569 8368111 6874864.5 6301330 7118711 6997418 7029267 4719311 6930772 5383422 7164510.5 6907030.5 7090417 7150668 6005584 5982019 6585517 6559457 6759482 6452224 6805201 6324694 7305346 7353994 10572138 adenosine 5'-monophosphate (AMP) 8144178 7732563 10184161 9212942 8151627 8130001 7446191.5 7042465.5 8277992.5 7264751 5079651 7093455 7883887 8021078 7275369 7219211.5 5945145 6366484 6862299 6744096 7036388 5303389 6001568 6475277 6251969 6983011 6621862 6691169 6049882 6534393 7069398.5 5303311 alpha-hydroxyisovaleroyl carnitine* 674121 624247 926083.0625 637852 951461 913464 1081961 1206087 1256445 1437035 1366168 809884 1323985 1031204.938 696444 1088505 627728 561006 659555 1090110 600331 596889 938996.9375 700799 842282 930636.0625 857499.9375 945652 545105 460352.0313 446045 788002 arginine 225782448 249100880 218385504 182671888 229509872 223607456 213088480 215759136 251117840 179841984 9398457 214328320 164374528 182473872 190268128 173119952 210883056 242047472 124512456 200340288 199763104 186632320 189563968 202945840 231052560 205012384 209972192 106468304 158378576 206992064 175188256 224012176 asparagine 42418124 45332956 36986136 42303736 47507204 44254348 44375404 45225088 55540848 41037444 86682712 43409008 38940868 45839876 38260792 41956072 39871532 50903560 36242352 42722956 42858456 39777484 36627716 38262792 47408916 46681268 40241396 34049820 36191528 38878384 40404348 42797824 beta-hydroxyisovaleroylcarnitine 34239840 35118588 33305416 32640664 41767468 35164364 40538584 39538688 38189896 33163864 27097844 36392692 33525908 38089052 32226376 39516608 23553728 27136300 23500372 24911978 20431940 18856348 22239592 22791946 27210910 28442636 26934294 25555532 21786642 25925344 31976904 24715664 betaine 501492960 529780032 550703680 560365888 589852416 543072256 525645824 637583744 439647392 398942144 773968832 455024960 421817088 468658432 438484096 521783168 438910592 487175200 548222528 530977312 444083744 426339936 547779200 443910560 402399616 468746112 407753600 378688800 428236672 478661664 479274496 450678464 betaine aldehyde 52328844 67020068 40444620 32769908 32664984 43476716 41292844 36437552 24960592 34440628 38575952 35392304 38208788 40374848 39824800 39521836 51800564 34710448 28143656 36436496 33812856 33079174 37910452 31047484 43207312 36870712 32184718 37721936 34829040 39783000 44477888 33777944 biopterin 652277 839179 544178 600949 766579.9375 533598 385015 701211 464506 491232 1810106 402975.9688 313761 401423.0313 445560 590872 445345 631681 717189 870134 702198 799676 738933 716551 944074.9375 741340.0625 738185 833313 550164 697633.9375 739755 691862 butyrylcarnitine 31663082 30224298 37478612 28615982 50071572 36070084 35627192 40631968 38790912 21592044 55375724 23237264 20858648 36224768 33843472 27173742 32345024 23763712 22615304 20677084 19581276 20956480 27352396 19760748 15357483 22496152 29838200 22879800 33389156 25594080 18674180 26226802 C-glycosyltryptophan 8221187 8057954 8546720 7686194 8107191 7527375 8469293 8162159 10323900 7620915 13557301 8151149 8572831 8265857 8011707 8452633 8134645 8846069 8147737 8585875 7642535 6367550 8652826 8260408 9039434 8344939.5 8638510 8269970.5 7310137 8916804 9704798 7330170 carnitine 1839060224 1817405184 1968085248 1776019200 2058802944 1868684800 1905422464 2141100928 1899241216 1781139200 1471142144 1638000640 1586718080 1915254144 1771802368 1938444032 1786940032 1741601280 1549519232 1700762880 1666804608 1540515968 1574784128 1455449984 1601578752 1866779008 1609630720 1570615168 1635570944 1556501632 1711226752 1629412224 choline 1265952000 1280750080 1212128512 1177760000 1311171072 1203622656 1162829056 1250412800 1291707648 1296142464 1266604416 1286866432 1285286144 1301883136 1305497472 1383013504 1158143872 1254974720 1045235328 1178169472 1155164288 1121828224 1056528000 1131674752 1289393536 1200311040 1214316032 1222756352 1091658624 1247023232 1370358144 1248492544 choline phosphate 271668480 276339424 269338336 243802608 273324896 285806016 263797696 272159168 249477328 239307824 209172704 243418112 233788416 240208128 222150912 254688288 264923248 280156064 223465600 246936208 221447360 232138992 234342368 220803088 273185504 262107408 255139776 229602896 222983936 250279424 243313008 230692128 citrulline 41546728 40011768 41063168 40413508 40703280 45525604 50062000 44443260 57168032 53184400 71540032 58678188 55914868 57709564 68974384 65285848 96947304 59803836 62447220 62794032 74577336 62788872 74445752 58506204 71768088 81210168 60903088 69464800 72575240 81517216 79399984 68504464 corticosterone 272561 1503768 1707066 2501854 1079737 736469 998035 1462878 1556489 2506439 9855158 3142175 2431183 3528585 9129795 5406143 9179296 7543661 7713722 6808046 3739477 3409901 5322780 4575118 3905009.25 4954235 1188191 3797300.25 4276469 4158170.75 3855074 2752362 cysteine-glutathione disulfide 17655900 11039969 11947827 16939334 7822930 18064326 28327468 14088809 7456086 7526684 185182992 4421495 4640747 4443981 4771444 5022405 29996000 24516440 36037408 8275330 15771501 19945170 9001559 10377818 47818868 13062710 12593650 6349988 10540388 11472764 9593414 8105753.5 cystine 52641896 58309520 56888388 52294092 69320200 59679128 51081852 56660348 58076996 56158864 6905961 56553664 52624192 58762828 51082176 60759980 60009488 68500328 52834432 62576344 65265720 65765548 60669864 64023332 56166696 64869364 66779196 62409220 59943984 61502808 68784096 67036128 cytidine 130549536 112528728 127397312 128222608 102400392 109770896 125077336 110082560 120088888 117101776 89656472 109330032 110682400 106613504 89994832 94197224 89124688 82154528 100516048 81167864 84220712 69775216 78043544 84878048 93594336 91162008 79791968 87693072 87294504 87812416 94717256 70832632 cytidine 3'-monophosphate (3'-CMP) 23179148 22645356 31739818 36529780 21487546 36912860 39905360 34323320 27291656 32537008 17754226 35947372 35890564 28555694 20331944 25928754 2323993 3689290.75 2740467 2653821 3144448 1814654 2461076 2667634 6718380 2195697 2713294 2657380 4695781 2410306 4886165 2975971 cytidine 5'-monophosphate (5'-CMP) 15911941 16988768 15233621 15291933 16295209 15129596 16323270 15407213 18805088 17255020 21001800 18039476 16044160 18359138 16041063 17492672 18279956 18931816 17607168 17437694 15167131 12631880 17069848 17516304 17580006 18072620 17476800 16031680 14480699 16619153 18969620 14789674 deoxycarnitine 166791328 155684976 170654224 153744336 174882752 166716912 169637824 205156176 206882016 227196848 224927664 220406128 205904560 182274272 199528976 239625488 156908800 129139376 121046520 129091624 118497288 112760752 129094112 120301176 163335952 151637328 135564096 151442976 128160072 156380208 179905536 128769624 dimethylarginine (SDMA + ADMA) 54821056 55539616 52168932 61095352 65066188 65241644 65721784 66398200 83793032 57994556 156700544 68498848 46781128 55350308 46260956 47938424 33552184 44363416 36965288 37231500 36576456 30120854 31417876 35899944 41860292 43628460 36152648 27766996 33927200 33498380 40267384 32607500 erucamide 163999184 112045184 134055144 153461776 217094704 75431944 88001680 64743784 112884952 88475856 97404416 180781168 110480152 103805256 54740784 60110848 115587664 100583032 103092920 227129776 132479104 91140224 110944800 48141624 45052044 72020440 130601744 98052640 80251648 50984908 45392844 41104080 gamma-glutamyl-epsilon-lysine 3874848 3711675 3120471.75 3165212 3849169 3697767.25 3224416 3080377.25 4721650 3478277 20786000 3303644.25 3971187 3182989 3053127 3336898.75 9172817 8494443 7463710 7157883 8273623 5333736 7816549 6955156 9352097 6552920 6969656 6210052.5 7422066 9921299 7736101 5843465 gamma-glutamylalanine 3582638 2963759 3026036 3475942 3013967 3038328 3946687 3328072 2808018 2741963 1399043 1451655 1750821 1311017 991222 1702664 4187631 4691721 5058843 3656299 4262483 3786618 3399427 3379531.75 4838056 3824290.25 3467915 2806897 3390899.25 3363578.75 3234178 3124232 gamma-glutamylglutamate 35132176 32173560 30922622 35572724 22923952 36964168 41206396 37259244 22640000 22132458 29423644 12706657 12529449 8603428 7384783 10670487 38842848 40874596 43895752 23234850 30871202 33778728 22540212 23975336 47320964 23185066 23705350 19787558 24070732 21715908 22954788 18736826 gamma-glutamylglutamine 9814315 7481584 9358824 9214134 8284313 8452259 9407212 8824705 6192846 7007546 2992582.25 4040446 4300730 3911460.75 2722993 3999264 15136530 11977601 13941921 9455039 11686371 11058613 8534397 10559502 11571220 10176327 10314381 8193890 10209240 9696281 8153494.5 7483038 gamma-glutamylglycine 154723376 149120368 168510192 137570736 153907920 155233280 164605792 161872336 138385696 149114976 26200114 100771192 121972400 100618344 75671936 114286152 146816480 177489936 161931888 154882000 173915680 147248176 150801408 154767056 173076016 162930480 150531184 141261360 154520048 162808384 176806352 142749568 gamma-glutamylisoleucine* 2173575 2678013 2539600 9377746 2932851 2700561 2970386 2759504 2742045 2369592 1001284 2625777 2603874 3028763 2727073.75 3088634 2419969 2696506 2247875 2858431 2511398 2072019 2576824 2962589 2712926 2816603.25 2755722 2258900 2238316 2785462 3165311 2589904 gamma-glutamylleucine 37032664 40860048 35294756 33008470 43277620 39898732 41960172 39249872 42155536 36619276 15228671 34893496 34337208 39647336 31539006 42314332 36824996 45227800 35221480 43582664 36697580 30194040 39658904 37566264 43963268 45283152 39643628 36077228 33280638 40805536 46562892 38212116 gamma-glutamylmethionine 353321 289096 323685 384456 418640 381653.0313 464613.0313 468391.9688 363506 289109 119563 180840 180818 196211 134932 265467 485163 523347 465962 384363 438745 275383 319005 394531.9688 729362.9375 420415 335020 230118.9844 352206 391272 380715 274043 gamma-glutamylphenylalanine 18622996 20141478 16853264 16935284 18608478 17947554 19351060 19511940 21545586 16909904 7579095 16665146 16869888 17037020 13943062 17350664 16414087 20913106 18160370 19497776 17031216 13796612 18260852 17598756 20703028 20797178 18379236 16714035 15653262 19405760 21801752 17431468 gamma-glutamylthreonine* 5023315 5275892 5069790 4963279 5368286.5 5309229 5253473 5318193 6113879 4830583 1692851 4686537 4965742 5237463 4150312.25 5214939 5959478.5 7261936.5 5930108 6800148.5 5923272 4916945 5378275 6293328.5 6419074 6518636 5746495 5136601 5631347 6046847 7574828 5736417 gamma-glutamyltryptophan 4150231 4069959.25 3669970 3501378 3822398 4479060 4567578 4135714.25 4351966 3304950 2133775 3203864 3633672 3149205 2311932 2611752 3724387 4469579 4440130 4367070 4967557 3459446 3983493 3993969 5104960 4650540 4629408 3320836 3727290 4494900 4989928 3755553 gamma-glutamyltyrosine 9104938 9906515 8943783 8373029 9255326 11190940 11236465 10086561 10225170 8902982 3311222 8408474 8244322 8683050 6947812 9000122 8957968 11427772 9164246 10369552 9745404 7889217.5 8841365 9146328 11326080 10668527 10361855 8534296 8309264 9916161 12151788 9182673 gamma-glutamylvaline 5724337 6130760 5929835 5321970 7524433 6723116.5 6591185.5 6979714.5 7451413 6238025 2299691 5888174 5896919 6496222 6307496 7596856 5453269 6557380.5 5988958 6726093 5701967 4870855 6426073.5 5773666 6410734 6866752.5 6029145 6087029 4825188 6154868 7912035 5932741 glucarate 1,4-lactone 231841936 150414528 238393456 134587648 144863840 164087680 252210208 145887200 153180080 141853376 74135624 130075680 108414696 200484912 169167584 139924832 253601728 272413728 185140304 157412896 174054032 136143824 100087648 130043760 178714432 165819936 162855632 103493040 181431872 216199920 212856208 128731232 glutamate 1612902784 1627021440 1613444224 1564888576 1555371648 1648931072 1604969344 1689395072 1643465728 1591542144 1611619584 1550181632 1416038144 1388295552 1432482816 1640544512 1360923264 1519959040 1316749952 1353928320 1522673152 1335920896 1336866304 1342036224 1479139328 1441921664 1390171392 1469760768 1412518016 1534609280 1759911424 1468071040 glutamine 586309184 610927744 609745088 586654848 648425024 606392640 562796416 582466944 563930688 493867648 738496960 482465536 508227648 546555392 473233280 538125056 780010496 670097856 602169984 665469824 669535040 656663104 644640448 657649152 611162880 686303936 680633792 645354048 652816576 675611712 646123008 651650688 glutarylcarnitine (C5) 661875 533979 706792 675386 1009566 648382 610901 888823 438172 414513 553135 360973 358880 1204473 422224 789616 292523 351093 448907 571741 311762 351583 409355 303976 444617 775131 500549 806131 1329346 480338 749517 207027 glutathione, oxidized (GSSG) 29501372 24057914 25165908 32864902 17628880 34488936 54099416 31754474 15691637 15326755 943693952 11360029 10408305 11597079 9879622 11295356 46767616 41400344 60924732 21330596 30151292 38648064 23004588 20799146 92607088 24235464 26477244 18374338 21231966 23888564 17258988 17647192 glutathione, reduced (GSH) 2735312 1402380 2336800 1874531 1896059 1559951 2753557 1124513 1898562 2206426 2481881 679403 1957925 717674 957811.0625 2014764 3324927 2448086 1812025 1484381 949439 1008319.938 867232 1416009 4453888 1797105 1420272 1536485 1325130 1980960.125 2325254 2086924 glycine 74971160 77795840 81031640 75225872 86538800 78661912 74274472 79779016 76047432 80913552 38627400 74441840 79452584 84204264 78582096 90475632 67314976 85223904 70699696 79218664 77033008 81833256 76187536 76738544 75828544 81072096 78382104 82123536 79227832 79771504 84607520 83978776 glycylleucine 844045.9375 975870 703441 729368.9375 853781.9375 712557 653481 570463 894349 667725 629212 581082 679367 862619.9375 634996 800824.9375 669679 722546 597650 607081 574808 457289.0313 555286 515443 523160 692787 687732 529683 640999 666602 698929 386460 guanidinoacetate 1408067 461468 392066 331617 1131313 1340387 3127247 995717 867374.9375 1754900.125 800313 437169.9688 1088868 550548 318237 445249.0313 guanine 721365 404282 510717 629070 441047 701175 854710 994781 702201 583296 492262 580442 564726 598266 451394 800845 462358 421875 232109 379910 384411 608319 834112 472192 351533 360214 441649 483314 334290 882661 heme 85889328 22077240 47364396 16441017 41292912 4901818 3991857 2294136 12529680 26081238 1152088 1646169.875 9442131 61413036 41934904 41362432 19012040 15460888 65509740 46204328 13497627 33462488 61366864 1719392.125 25373422 44422284 29410730 133426912 26903820 23585404 38939580 6886598 hexanoylcarnitine 8372095 10471113 9124876 6587861 6969453 8063691 10504185 6844648 6365920 6513082 8494305 9523590 5904144 4723378 5483727 6078831 11971342 5249312 5858804 6566543 6466569 8580627 7528576.5 6481181 3076759 4572045 7589550 6047908 5793270 5405110 6270099 3881889 homocitrulline 1966612.125 1802081 1776656 2038781 1987377.125 2237642 1879751 1579886 1008347.063 967517 2054357 1114197 1762945 2151468 2209319 2540175 2357177 1822910 2121018 1555264 1754539 1874672 2140970 1812150 1153766 1418907 1867665 1894315 1660834 1537146 1884955 1477701 homostachydrine* 4457901 6670358 7170248 7318252 5427755 7960452 6049260.5 8967121 3576601 2765622 6440778.5 3602984 4081330 4374569 4976390 5641863 5335572 8182935 8397651 13499928 8753733 7640834 9322420 7298413 2678240 5218190 3376306 4086432 5204636 4722683 4751863 3677684 hydroxybutyrylcarnitine* 30851630 29711960 29366284 29598546 34818348 32445624 37758944 31464386 24829304 30684430 37589224 24241304 25293064 21266086 19318844 24705344 55273048 35535120 64791920 57122120 39685684 45072088 52491332 74708784 29340104 29294240 49303784 42796820 24261072 40736856 32107682 26375800 imidazole lactate 1020964 1604257 1199993 1415578 1871738.875 1274495 1238826 1260010 773250 803483 754069 582671 634289 1069630 823267 1057389 1043486.063 866726 847102 876906 611518 612119 1237938 1071899 577493 777799 1033560.938 918781 757128 521063 855574 420205 imidazole propionate 1135396 754225 1210837 955035 1555053 2279053 1463522 1324759 1835764 1493045 2468669 1673414 799066.9375 598895 2520333 2134702 435370 611138 267163 409603.0313 648791 474352 407524 217921.0156 1099577 691867 145140 1206318 620837 455032 776469 786505 indolepropionate 1116119 1032770 2147390 1663803 1198479 1432636 1553747 1037176.063 1434089 667881 294039 79276 1091601 397569 289388 320849 643273 191281 isobutyrylcarnitine 21273996 30744000 26234854 25082432 42714424 36852060 35115864 43145772 29583344 24668050 12944463 30515412 26336376 46320696 39088744 48971796 26156792 29762956 25764984 36131608 24556100 21724482 28993064 30749652 30366432 36257640 27063224 19836256 18525474 23728860 29401198 31698196 isoleucine 1496594176 1606500352 1372892928 1445648640 1620892416 1652288768 1749892224 1602974336 1803419008 1474245120 2566577408 1556085632 1527263232 1705868288 1371475968 1737135360 1455518208 1676929664 1366412544 1546239360 1409009792 1134835200 1342635136 1475310208 1752260864 1693891712 1429336064 1299929600 1280918656 1618836352 1702598400 1401041536 isoleucylglycine 243111.0156 199503 182074 237750 288240 190147 135699 196055 374739 270775 268942 190922 210243.9844 259805 82880 175209 216648 219992 139032 208433.9844 311139 169971 187809 152469 129557 170280 334906 isovalerylcarnitine 27892138 29229052 25527052 25711860 52142776 38759612 41143208 48155512 39002888 29009612 20024832 37556944 31820836 48889816 46343784 57950548 28064304 30382270 23983580 34166152 24053276 19741176 27413984 27057098 35132464 34876072 24849354 19152904 17632348 25666256 33917140 29666864 kynurenine 3608633 4153923 3918863.75 3546161 5039776.5 5820570.5 5648137 4436710 5370955 3389465 4580268 4145932 4065093 5541083 3885214 4410296 5708329 6813086 4875838 6279453.5 5321561 4810616 6039631 6681403 5212488 4717474 4126490 4820662 3401377 4850818 5327890 4277984 leucine 3761391616 3934055936 3357984256 3387714304 3907714560 3647505408 4059672064 3831894528 4266728192 3425445376 5546159616 3438717184 3592103168 4083610880 3413596672 4010596864 3384465920 3869150720 3388336384 3540863488 3190117120 2638719232 3300846848 3379325440 3998874112 3975943936 3441783552 3059813376 2990350080 3576825600 4107691520 3372420608 lysine 216401632 220569936 187322944 194962384 200614544 208652512 227564592 217788624 226837360 199724256 362987168 192588912 204993456 235331328 202505680 220343584 206644208 221269344 180696656 211549856 183136336 167022480 188319440 183638960 218513952 226482640 198055552 165227392 194503616 192716896 208187904 206813776 malonylcarnitine 2193208 2375715 2260656 2017556.125 2115920 2471836 2815282 2560791 2107372 1666111 1156596 1834475 2240147 2056984 1891871 2058935 1545935 1976232 1843632 1532505 1721853 1436893 1685519 1912448 1943842.125 1640982 1605096 1625019 1469883 1659455 2156702 1499787 methionine 542787648 565683968 581295680 588270208 646573696 651812928 703598080 671449408 765848064 598496640 1095139456 618975360 601087872 713668416 583207488 719992704 578783488 696902016 584731392 609775488 596657664 461601600 556385472 561194752 751042816 736097664 593788224 535029568 516673920 649187264 716029376 626092096 methyl glucopyranoside (alpha + beta) 44490220 45304616 38935080 37940304 45462076 43041304 45093900 45619368 15647275 5371903 14154292 11970559 14185598 23174592 14738190 11839926 49139344 58083984 37810892 47544400 27336974 24053964 35938824 33604776 11076558 8841677 9249881 9717734 8188600 12272631 15309031 7967555 myristoylcarnitine 10191758 6996419 11666823 7965525 7028457 6196511 10704273 7269979 7603348 9019363 18360188 11790866 7281043 7396652 6852275 8683164 20719300 8683180 15522863 17159052 12642589 17069356 10908049 10060222 5349832 10034068 14091965 15606421 6539025 9545651 9307330 5848187 N-6-trimethyllysine 11949591 9694426 10341434 9234057 10926131 8485890 6466477 7780152 7981920 7922930 10452477 6100956.5 7252949 10185300 11445905 8699999 11329638 10446439 11511978 12998171 10998686 10380328 12576916 8221631 9162240 9537962 9479093 12037098 9504960 10449474 10482377 8851476 N-acetyl-beta-alanine 2231821 2220455 1419703 1107339 814064.9375 1518948 2087914 1368620 1422598 1151794 4073310 1318173 1798772.875 1805387 1408902 1409701 6431808 4377483 2951346 2994213 2510448 2281715 2504990 2262215 3309074 3196855 3229726 2810569 3013779 3192402 2784909 2580355 N-acetylarginine 646570 556584 765093 973586 679275 638054.9375 538079 602425 608943 792593 558850 755288 812885 697364 639677 814695 522184 370914 443351 361275 360523 602165 585817 408719.9688 441793.9688 461429 551803 N-acetylasparagine 259452 383650 238373 377383 445072.0313 515065 283483 417366 244436 184024.0156 555566 227914 181129 504988 299159 477391 307265 327058 382589 418678 330491.0313 258463 328234 344836 273676 451297 316351 314029 373272.9688 306375 441389 325769 N-acetylglutamate 1111290 1300826 1051214 1135695 2236817 1269963 1112129 1524466 1096533 872971 1388476 973429.0625 667243 1852269 1102605 1705092 765965 923153 871797 905576 631890 612603 667885 643471 879987 1375465 1021234 885636 852780 845092 957438 626485 N-acetylglutamine 843086 1161601 1342983 1100592 2036468.125 1157186 1060469 987550 861471 499052.9688 789196 594249 612192 1341551 616777 896046 1051305 909867 1021876 1123285 868643 958667 1103723 966714 695395 1552489 985315 1152890 1350090 966207 1239984 773733 N-acetylputrescine 407414 364442 115977 571122 258501 176660 282600 142470 303811 173468 2979526 208871 279692 186555 156376 94066 838146 516411 327607 270903 218989 232676 331289 215644 327321 297757 377273 262195 255856 207374 258513 165279 N-delta-acetylornithine 12999854 13187871 12865696 11009511 14179777 15562579 14961184 14844587 8516866 10305295 14270489 10128315 10631066 10618748 13172515 14476068 15160901 12137730 11178216 11259223 10239743 8318497 11898482 13548071 10111165 9372880 7453486 8495358 7186232 7041482 8676745 6604633 N-methylproline 1912093 1467219 3280283 1520425 2550420 1229197 2797949 1174969 873001 1488891 4127922.75 1457261 1274286 1114831 938132.9375 964224 1226067 925779 733190 N1-Methyl-2-pyridone-5-carboxamide 2634537 3833460.75 3789633 3445017 3176154 4221773 3872025 3820342 2429972 2306847 3602711 2356775 4515365 4554038 3357859 2491220 6410650 5505441 4009386 3772181 2995627 2894195 3060648 3778176 5245121 6711802 4967285 5549029 5470774 4662987 6134317 4301547 N1-methyladenosine 8096015 7071742.5 8591980 8162595 8258471 5209253 9381346 8640024 9046829 9395551 6149942 8864810 9153592 10194793 7397666 8969256 5854282 7014718 5756606 6169394 5442278 3360253 6196508 6521223 7049441 6483534 7184704 6212018 5805334 6541971 7598446.5 5710749 N1-methylguanosine 3766486 3863260 4463940 4252384 3970245 5733262 5823678 5357222 4750889 5297285 5643365.5 5453991.5 5212988 4661235 3359045 4382222 1497389 1631484.125 1414002 1688172 1552040 971463 1678019 1635970 1747925 1516829 1536145 1467475 1542330 1288977 1666372 1382774 N2-acetyllysine 1591226 1642448 1346137 1330351 1739008 1600658 1560439.125 1677916 1347861 1236118 1488165 1403129 1382071 1678372 1168535 1583920.125 969143.0625 1093229 804190 951912.9375 662566 631557 809873 793629 1082471 1136549 979483 944994 881316 899628 1076370 681622 N6-acetyllysine 3973723 4560052 3885560 4540343 4230908 4431206 4556585 4398561 4994914 3688644 5338151 4120272.75 4400269 4566234 3675117 3921557 4082727.75 4307904 3906101 4281629 4056596.25 3225628 4047520 4472646 3569524 3744158 3620247 3659782 3197167 4018829 3696919 3105924 N6-carboxyethyllysine 870061 1233556 1025909 899691 965952 724058 775581 858870 1031759 1297220 310215 1532136 1800598 1339241 783087 1553344 862480 1064326 857275 1271947 1116673 1015643 811071 952069 1363970 1286777 978872 1041417.063 901805 1123375 1228903 1559003 N6-methyladenosine 126758 379809 538012 337813 529796 528014 324155 484431 535435 498004 555123 495827 535191 108786 503625 258238 154368 185413 185120 124701 186288 242733 108469 159798 277145 250569 81158 231978 138195 N6-succinyladenosine 835379 674131.0625 490513 759612 470857 472285 677499 416527 543418 638251 1893002.875 363776 581129 212854 131958 246023 970683 934745 801405 818688 828674 576959 852294 854169 868433 396238 625103 731063 269492 625636 792782 316958.0313 nicotinamide 1460715904 1511272064 1415427712 1351980160 1504271104 1409621504 1479192448 1452287616 1440762240 1401970304 1204690048 1355379328 1389629312 1364402816 1330926720 1456636928 1207491712 1295865216 1253086592 1272105856 1314056704 1132734976 1285032448 1325096064 1322389632 1357259520 1292256896 1354736640 1177172096 1343622016 1436743424 1235391488 octanoylcarnitine 648159 493446.0313 491330 508285 266388 689541 533892 637898 569651 366360 541411 575911 257697.9844 478045 331782 406778 513191 426825 453562 538702 307796 326470 487525.0313 358134 354002 479761 394127 510869 359028 372323 oleoylcarnitine 15921580 9868090 14160380 10688815 9221884 8304562 5671245 10407270 12752476 10283950 24422380 12640218 11843827 5726012 7544119 6275466 23205200 18023232 16494238 43006452 15564722 42059900 12809052 10519850 10187577 13331536 41578368 21396046 17360004 14512043 20510204 10893022 ophthalmate 263492 337975 257217 418364 353184 348670 330098 394250 457503 211819 1312901 320712 229837 278483 112212 213926 192213 319918 166213 293317 233574 127785 168489 288682 244141 354874 226353 114758 164344 210341 148766 269305 ornithine 31497792 25477792 26181742 45427512 35261096 35461948 39105084 41699280 24130332 40696848 215813136 24227124 53370824 72449192 45171840 73754144 21532688 20889400 59303596 34882028 23261644 21464192 26611952 18000384 32743212 55342476 23435038 60996400 47918256 23664408 58858116 23840872 palmitoylcarnitine 73408792 53759424 72072624 51490036 51032188 54014980 45287356 57589364 65706140 51135932 140928656 63411648 60820740 32093868 41812684 37814284 79173824 77131840 69773288 159131440 59906792 134176016 42694212 45372612 53005724 42969916 122774952 79383560 51369508 49744084 82052256 37846028 pantothenate 31477834 28326634 33608764 34140088 29909024 40902160 36356824 37525996 40536512 33338434 79943344 30307802 42647820 52168628 37151100 51469644 47675220 51054560 43488748 43073704 36280056 32023692 42351744 38433396 37648152 45865048 43711392 45505940 41254272 45941364 55468144 38609836 phenylacetylglycine 1082585 1087407 2042810 1039769 996222 1690474 1802142 600665 416593 588380 637331 422231 376259 559132 852363 377307 2345276 1356871 1246885 1997797 1229299 664961 1915957 1359585.875 639483 1397400 1227264 1582130 861519 1695280 1596348 1126818 phenylalanine 2264077312 2310189056 1971298432 2083516544 2221686528 2233455360 2384701696 2219083520 2653916416 2141670528 3607664896 2093191680 2212556544 2391725568 2033117056 2336925440 1861320192 2216704512 1866458880 2079854080 1841788800 1476910336 1848634624 1820465920 2391652864 2295170560 1916965760 1811215744 1723355264 2027357824 2279311616 1932012032 pipecolate 11987211 11569370 11559680 11486732 12060392 12943511 13161043 10646776 7893385 6999676 14730326 6936845 8845981 10111050 10621363 9321816 12592021 9634089 11348078 13263111 13257787 11962825 12912038 14607873 7717408 11952898 12299651 14524937 7985330 9906103 9246339 7938035 pro-hydroxy-pro 5413457 7954671.5 6474304 4905170 5700971 7665122 8414485 7183701 7475279 4271011 18658384 4741585 4259444 3371840 5190297 4840107 14544182 13288112 6580212.5 8433316 5588820 5280949 6185586 6905764 10183245 7690536 6738648 5805573 7868127 5724676 12649499 5476799 proline 1153181952 1197377408 1119677440 1051197184 1271754624 1181098880 1291901824 1226227584 1267609856 1085532672 1615225600 1123814784 1110498304 1245396864 1052602560 1234023552 1062572480 1229071616 1045521600 1174061056 1096819712 891344832 1063400128 1108218112 1290308608 1313151232 1131458688 974635008 1000757696 1163029888 1302980096 1114905600 prolylglycine 382607 303329 284225.9688 268196 368666 327374 320502 302241 343678 147669 810624 270414 278397 243501 181431 280143 354912 262528 219548 261607 308575 122838 155938 253310.9844 343770 390435 209134 172792 234430 316937 357027 138333 propionylcarnitine 141326240 145665328 145800224 163099648 150017376 188097584 211734384 183975536 124587456 145020608 68528336 128009056 131602776 122002208 115677472 132705000 114168112 137986928 132473096 149845472 140287840 136597728 153370512 140903184 105126464 99489528 113382856 121647696 90299240 118961104 118136632 101026864 pseudouridine 2175269 2366204 2726605 2548267 2235152 2574143 2885828 2690420 2287599 2405974 2336283 2795317 2698497 2729311 2223771 2473159 1726201 1681078 1491539 1494886 1364458 1156657 1577057 1578239 1711384 1529901 1921348 1652526 1396226 1429622 1995556 1431232 pyridoxal 1383464 1212454 1303017 1409508 2117446 1396859.875 1336754 1949639 1385248 1725844 4863746 2047134 904472 1533756 1353235 2974798.25 743523 876965.9375 1562001 1767843 1560445 1189409 1452906 2001994 830624 1245899 2123887 1506229 913322 1301795 967998 974520 pyroglutamine* 3098405 2870696 2243527 2252366 4155375 2463839 2839152 2375318 1149758 1044632 1608845 1529045.875 1653107 1910061.125 1830412 2430732 958044.9375 1122242 920671.0625 1410444 794994 657468 897365.9375 850232.0625 492945.0313 1015758 897109 1528434.875 942790.0625 883374 1540377 725049 riboflavin (Vitamin B2) 6785342 6982549 6775805 6153451 6273832 6040128 7016955 6673665 6765439 6020677 5494231 6151198 6353186 6850156 6748265 7103513.5 7144856 8313095 7119393.5 7840732 6926144 6274466 7572034 7867736.5 7707958 7461697 7887272.5 7468591 6536190 7868502.5 8943672 7114603 S-methylcysteine 5601884 5836330 6019054 5501116 7147172 6096247 6182056 6676060 5419740 5737580 1978817.125 5395509 4918864 5485484 5107617 6220504 5726028 6062142.5 5345209 5465708 6014789 4636684 5014702 5855670 5831874 5422411 4913067 5107474 5251912 5803235 7511555 5204207 spermidine 91509632 82723880 73195608 73851264 71943072 72911376 74948960 72178368 65769508 71128592 79379416 75626032 66606976 62957384 63971916 58515992 72565512 72412016 71577664 71880200 56830712 54236708 67332616 56678868 79148880 82309936 68899224 71883664 63213368 66379056 79307544 54015280 sphinganine 24759184 21072382 17578340 18164632 16644020 17559384 6713232 13433361 33238626 14324931 40120308 13451825 16558119 9901769 15491463 9131020 21113208 32618922 15626574 31881072 14260719 34566464 9904708 9156148 34682592 14379572 34163660 13162930 27284456 13084882 17741896 26063282 sphingosine 126230200 88011776 84360848 80037448 83886288 79850728 53426360 83189920 141001216 78726352 253849056 78708320 77030056 65276844 76157152 52724728 97857144 135766400 82139288 134741488 61693592 108520720 53796132 46208284 142309520 94560224 145904448 76971808 95893992 59608028 96584152 91026032 stachydrine 33105348 41072520 44102544 43532916 51874452 48716376 46981920 48574572 20610096 16721264 38226884 27859442 23202320 26798224 32630260 39784804 11196141 22416948 15294316 20472604 18951056 15867584 20929168 16509810 17438984 19521872 10768648 13325783 11863362 14626131 16918500 12530850 stearoyl ethanolamide 6537200.5 2680990 5720403 2988836 3973991 2153960 3677903 1794155.875 2834342 3949239 1280422 4575151 1250374 2988247.75 1604568 3160603 3169555.75 3130974 3267501 3597016 1846417 2101524 1976828 2063970 2387405 3069558 2406927 3376465 1576674 3223918 1846946 896508 stearoylcarnitine 35684372 29707416 27215804 24201550 21490530 19430444 11321040 20121748 26307286 12919683 20239632 16070562 18804878 8854091 13040882 10266391 15156458 19591788 10950065 32245104 9792131 36925128 8639185 6486805 14038718 11015622 29925986 16218226 14001809 11266680 20246500 7951542 succinylcarnitine 4917366 4993879 4735283 5422586 6189744 5014830 4589606 5658567 5272613 3933604 1791601 3634740 4174448 5703291 5614176 5442956 3201734 4369378 3987659 4136849.25 4134886 3485328 3567223 3559534 4026701 4111157 3678690 3465427 3882328 3899638 4336155 4030836 thiamin (Vitamin B1) 12481668 12746121 12271837 11624142 13815744 11139172 13242963 12031349 11157421 12635053 13300964 13141838 12919890 13339298 10943030 11480024 14122504 15843909 13574426 13766108 15878483 12502196 13436023 14821397 13540296 13898502 13286215 13238470 11890852 14691173 16044365 13914146 threonine 173217216 184459440 164165360 160692624 174547712 180133456 179074576 182391984 193920688 170600832 274747936 162505632 168055520 182660880 158317792 191659264 171361488 202585440 164072000 182036896 181942864 158622352 176343488 168148224 212429696 210779888 178699664 155542336 158953312 182911504 203375568 182260704 thymidine 1637082 1794062 1445924 2222055 2303307 1698721 1598051 1811859 2468169 1691828 6034663 2014763.125 1796620 1956736 1652997 2049386 1542314 2679963 1612764 1969659 2093025.875 1495163 1659259 2405681 1827829.875 1807290 1906291.875 1577955 1354660 1923216 2218054 2248400 tiglyl carnitine 1452197 1486948 1538089 1456050 2304061 1686905 2501529 2030616 1368320 1494603 1192697 1850457 1854656 1931898.875 2062343 2364656 1138006 1590713 1311894 1963901 1321397 1211306 1361004 1651600 2050955 1825146.875 1361152 1256596 861179 1486378 1619994 1598308.125 trans-4-hydroxyproline 23572100 23050602 18374980 19236052 24132516 19654592 20504844 21562924 21922796 18662232 30979880 21317870 15351240 15755122 22355188 21129516 20910142 21280278 17406808 18712240 18904844 17038644 18417734 13379464 25023644 20726480 20241060 18809624 17258816 18641492 22047506 19320980 trans-urocanate 2071961.25 1921153 3210552.5 1536573 1139191.25 3867740.75 1462257 1061933 1766359.125 1881104 1985460.875 1779836.375 1670949 1115455 7420400 1141922 2883763 3690982 1325363 1227641 1049618 1101598.75 1148399 2383266 4386283 2622706 3730661.25 1475600.25 2103875.5 5653624 1907354.875 4288231 trigonelline (N'-methylnicotinate) 23309480 24777194 26398684 22022124 36124592 33692796 31744564 27436048 18210948 14611096 21651624 21794886 18857500 20196282 24239548 28352460 13388174 14838588 11113914 11935246 14481020 11322496 9681986 10667191 15592624 12386131 9285834 11750286 12697857 9633859 14156894 10455541 tryptophan 298154304 310047904 269069568 263480640 301698976 287095456 326521728 299291872 353586144 293660832 556879744 285367680 304330752 336551392 299706112 340765696 276463136 321768928 264372016 309166784 270883392 217803232 277488096 270234496 332460064 333106432 284131424 257373056 245506256 298328480 336585248 279552768 tyrosine 818543104 957070144 762897344 764217408 856663360 865011136 951254336 872394112 936334656 790855616 1259985664 843967168 793788480 892221504 754668352 908721536 715226816 857199744 711395648 819169664 754787328 603052288 749768384 757711808 871399296 895813568 767834112 670299968 663004608 798001280 871456064 782950784 urea 6367327 5732620 8034890.5 6909062 11072121 10815199 7908148 10180657 9328154 6217745 19535216 9354978 12602166 13398115 17613644 14518160 5586696 7380474 4938826 8132743.5 5955047 4482943 5789154 8608165 9935411 7967076 6401369 8325021.5 6888222 6740448 9192196 6502634 valerylcarnitine 2707086.75 2887673 2771257 2671017 2709103 2379403 3054256 2789213 2350071 2303070 2080925 2413881 1479065 1997136 2105493 2579911 1956132 2314071 2550893 2263198 2664894.75 2567824 2047121 1372538.125 1642578 2579649 2021470 2258678 2321095 2246262 1882559 valine 1253614848 1330341888 1136878976 1091208832 1298663552 1237641472 1281194112 1218699776 1385554304 1117857792 1766608128 1166934912 1131121536 1304860544 1098853760 1298946432 1150657152 1286749312 1113626496 1200909440 1110847104 920315520 1108559360 1115420928 1275641984 1300402560 1129477632 1031978368 1004659328 1164653312 1348635648 1107650304 valylglycine 1200960.75 1612113 1392738 743607.875 1146735.875 1497384.625 1079042.25 947938.1875 1037551.813 1098645.375 1296550.375 1507671 1660767 1791371.125 1928271.125 1996927 1828248 1284686.5 1850776 1716570.5 1529855 1537169.375 1776330 1697198.875 1884201 1663855.625 1819299 1775873.125 1894217.75 2113286 2006676 xanthosine 8030857 7286879 6288365 7387912 7145839 7010401 7060371 6653357 7585884.5 6566310 13229468 6772958 2391608 3382429 1458174 2587884 1547820 2957639 2594629 1938097 1080115 1213574 729665 870764.0625 4486517 2213994 2165493 1534753 1949983.125 1370385 2080590 726931 metabolite_name SUPER_PATHWAY SUB_PATHWAY COMP_ID PLATFORM CHEMICAL_ID retention index MASS CAS PubChem ID CHEMSPIDER KEGG ID 1-linoleoyl-GPC (18:2) Lipid Lysolipid 34419 LC/MS Pos 100001395 5575.9 520.33977 11988421 10160888 C04100 1-methylhistamine Amino Acid Histidine Metabolism 43831 LC/MS Pos 100001204 585.5 126.10258 501-75-7 3614 3488 C05127 1-methylhistidine Amino Acid Histidine Metabolism 30460 LC/MS Pos 100001051 653.6 170.09241 332-80-9 92105 83153 C01152 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 1-stearoyl-GPE (18:0) Lipid Lysolipid 42398 LC/MS Pos 100001461 5846 482.32412 69747-55-3 9547068 7826018 11-dehydrocorticosterone Lipid Steroid 39779 LC/MS Pos 100002781 4533.8 345.20604 72-23-1 2'-deoxyadenosine 5'-monophosphate Nucleotide Purine Metabolism, Adenine containing 46333 LC/MS Pos 100000485 1425 332.07545 653-63-4 12599 601 C00360 2'-deoxyuridine Nucleotide Pyrimidine Metabolism, Uracil containing 1412 LC/MS Pos 536 1626.9 229.0819 951-78-0 13712 13118 C00526 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-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-methylmalonyl carnitine Lipid Fatty Acid Synthesis 35482 LC/MS Pos 100001596 1552.7 262.12852 149181-64-6 53481628 21403178 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-stearoyl-GPC (18:0)* Lipid Lysolipid 35255 LC/MS Pos 100001555 5777 524.37107 10208382 8383879 2-stearoylglycerol (18:0) Lipid Monoacylglycerol 34059 LC/MS Pos 100001047 5978 376.34214 621-61-4 79075 71407 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-guanidinobutanoate Amino Acid Guanidino and Acetamido Metabolism 15681 LC/MS Pos 100000096 1150 146.09241 463-003;463-00-3 500 486 C01035 5-aminovalerate Amino Acid Lysine Metabolism 18319 LC/MS Pos 100000454 835 118.08626 660-88-8 138 135 C00431 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 7-hydroxycholesterol (alpha or beta) Lipid Sterol 47890 LC/MS Pos 100005999 6164 367.33594 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 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 alpha-hydroxyisovaleroyl carnitine* Amino Acid Leucine, Isoleucine and Valine Metabolism 46263 LC/MS Pos 100005836 1863 262.1649 arginine Amino Acid Urea cycle; Arginine and Proline Metabolism 1638 LC/MS Pos 231 700 175.11896 1119-34-2 232 227 C00062 asparagine Amino Acid Alanine and Aspartate Metabolism 512 LC/MS Pos 917 679 133.06077 70-47-3 6267 6031 C00152 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 betaine aldehyde Amino Acid Glycine, Serine and Threonine Metabolism 15499 LC/MS Pos 1219 646.2 120.10191 7758-31-8 249 244 C00576 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 choline phosphate Lipid Phospholipid Metabolism 34396 LC/MS Pos 267 692.5 184.07332 72556-74-2 1014 119298 C00588 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 cysteine-glutathione disulfide Amino Acid Glutathione Metabolism 35159 LC/MS Pos 100001437 824 214.05123 13081-14-6 4247235 3455404 cystine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 56 LC/MS Pos 279 675 241.03113 56-89-3 67678 575 C00491 cytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 514 LC/MS Pos 827 1075.9 244.0928 65-46-3 6175 5940 C00475 cytidine 3'-monophosphate (3'-CMP) Nucleotide Pyrimidine Metabolism, Cytidine containing 2959 LC/MS Pos 105 1203 324.05914 84-52-6 66535 225079 C05822 cytidine 5'-monophosphate (5'-CMP) Nucleotide Pyrimidine Metabolism, Cytidine containing 2372 LC/MS Pos 282 890 324.05914 63-37-6 6131 5414497 C00055 deoxycarnitine Lipid Carnitine Metabolism 36747 LC/MS Pos 100001662 742.4 146.11756 6249-56-5 134 705 C01181 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 erucamide Lipid Fatty Acid, Amide 35177 LC/MS Pos 100001444 6335 338.34175 112-84-5 5365371 4517399 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-glutamylglycine Peptide Gamma-glutamyl Amino Acid 33949 LC/MS Pos 100001294 773 205.0819 1948-29-4 165527 145071 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 glucarate 1,4-lactone Carbohydrate Disaccharides and Oligosaccharides 35647 LC/MS Pos 100000946 869 210.06083 61278-30-6 16219942 17347255 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 glutathione, reduced (GSH) Amino Acid Glutathione Metabolism 2127 LC/MS Pos 496 1270 308.09109 70-18-8 124886 111188 C00051 glycine Amino Acid Glycine, Serine and Threonine Metabolism 58 LC/MS Pos 340 700 263.14662 56-40-6 750 730 C00037 glycylleucine Peptide Dipeptide 34398 LC/MS Pos 100001258 2190.9 189.12337 869-19-2 92843 83812 C02155 guanidinoacetate Amino Acid Creatine Metabolism 43802 LC/MS Pos 344 711.2 118.06111 352-97-6 763 743 C00581 guanine Nucleotide Purine Metabolism, Guanine containing 32352 LC/MS Pos 172 1035 152.05669 73-40-5 764 744 C00242 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 indolepropionate Amino Acid Tryptophan Metabolism 32405 LC/MS Pos 100001083 4147.9 190.08626 830-96-6 3744 3613 isobutyrylcarnitine Amino Acid Leucine, Isoleucine and Valine Metabolism 33441 LC/MS Pos 100001055 1955.1 232.15434 25518-49-4 168379 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 leucine Amino Acid Leucine, Isoleucine and Valine Metabolism 60 LC/MS Pos 397 1680.2 132.10191 61-90-5 6106 5880 C00123 lysine Amino Acid Lysine Metabolism 1301 LC/MS Pos 407 613.8 147.11281 56-87-1 5962 5747 C00047 malonylcarnitine Lipid Fatty Acid Synthesis 37059 LC/MS Pos 100001526 965 248.11287 853728-01-5 22833583 21403153 methionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1302 LC/MS Pos 415 1250 150.05833 63-68-3 6137 5907 C00073 methyl glucopyranoside (alpha + beta) Xenobiotics Food Component/Plant 46144 LC/MS Pos 100005864 1090 212.11268 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-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-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-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-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-acetyllysine Amino Acid Lysine Metabolism 36751 LC/MS Pos 100001721 836 189.12337 1946-82-3 92907 83869 C12989 N6-acetyllysine Amino Acid Lysine Metabolism 36752 LC/MS Pos 100001734 1140 189.12337 692-04-6 92832 83801 C02727 N6-carboxyethyllysine Amino Acid Lysine Metabolism 37458 LC/MS Pos 100001769 660 219.13394 11312319 N6-methyladenosine Nucleotide Purine Metabolism, Adenine containing 37114 LC/MS Pos 213 1988 282.11969 1867-73-8 102175 92307 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 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 pantothenate Cofactors and Vitamins Pantothenate and CoA Metabolism 1508 LC/MS Pos 1024 2212.4 220.11795 137-08-6 6613 6361 C00864 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 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 pseudouridine Nucleotide Pyrimidine Metabolism, Uracil containing 33442 LC/MS Pos 821 1173 245.07682 1445-07-4 15047 21403010 C02067 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 spermidine Amino Acid Polyamine Metabolism 485 LC/MS Pos 50 533.5 146.16518 124-20-9 1102 1071 C00315 sphinganine Lipid Sphingolipid Metabolism 17769 LC/MS Pos 313 5178.3 302.30536 3102-56-5 3126 3014 C00836 sphingosine Lipid Sphingolipid Metabolism 17747 LC/MS Pos 297 5179.9 300.28971 123-78-4 5353955 4510275 C00319 stachydrine Xenobiotics Food Component/Plant 34384 LC/MS Pos 100001296 838.7 144.10191 4136-37-2 115244 103115 C10172 stearoyl ethanolamide Lipid Endocannabinoid 38625 LC/MS Pos 100002254 5956.9 328.32101 111-57-9 27902 25958 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 thiamin (Vitamin B1) Cofactors and Vitamins Thiamine Metabolism 5341 LC/MS Pos 873 702 265.11176 59-43-8 1130 C00378 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 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 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 valylglycine Peptide Dipeptide 40475 LC/MS Pos 100003641 1372 175.10772 686-43-1 136487 120256 xanthosine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 15136 LC/MS Pos 100000299 1827 285.08296 146-80-5 64959 58484 C01762