Metabolite_name RefMet_name 90245016403 90248016403 90252016403 90265016403 90266016403 QC_PREFA01 QC_PREFA02 QC_PREFA03 QC_PREFB01 QC_PREFB02 QC_PREFB03 90559016403 90560016403 90564016403 90567016403 90571016403 90576016403 90578016403 90581016403 90585016403 90587016403 90406016403 90410016403 90412016403 90416016403 90420016403 90251016403 90254016403 90258016403 90259016403 90267016403 Factors - Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female 1-methyladenosine 1-Methyladenosine 46983 45298 36961 40968 29307 44615 44615 44615 44750 46629 43367 38755 31760 57990 55335 47061 40816 41834 55831 39908 48003 54575 45557 40538 48876 49376 33899 58877 39833 33085 51726 1-methylguanosine 1-Methylguanosine 661208 646619 422405 1105200 494225 564153 564153 564153 669231 648092 574740 517268 387816 801062 910255 554389 430754 657574 957605 526580 804743 338692 396946 530359 560543 654403 481662 983312 543987 452034 972609 1-methylhistamine 1-Methylhistamine 1240 6951 7634 6715 7933 6355 6355 6355 6311 6417 6149 5898 4362 12875 5988 4076 5385 8028 10286 5553 7727 7554 3295 5292 8202 8084 3942 3248 4247 8298 6543 1-methylnicotinamide 1-Methyl nicotinamide 888944 679357 772222 1008241 1012820 871834 871834 871834 875456 855917 872103 688585 473135 998939 1233398 839724 838597 972040 1104646 937302 1043397 900962 552214 672253 894933 1006151 693915 985752 668900 683511 937480 21-deoxycortisol 21-Deoxycortisol 6156 2848 3765 8835 608 7309 7309 7309 6803 4980 8876 1930 875 9021 8401 10198 2947 3948 16997 6462 6171 7573 4476 11156 5928 45073 4090 4645 9348 1717 11947 2^-deoxyadenosine Deoxyadenosine 9950 5963 7013 11245 6076 9775 9775 9775 9519 10875 9457 6332 8635 14057 9469 5098 4086 8640 9603 8338 13390 15275 11170 10549 12423 13826 4990 16043 7640 15777 5277 2^-deoxycytidine Deoxycytidine 430483 458213 434465 483536 473205 489219 489219 489219 495335 487538 479525 541168 332735 702212 545347 493165 393024 512941 636946 509685 560566 570853 384306 490155 492864 544329 378897 463084 398499 469652 547746 2^-O-methyladenosine 2'-O-Methyladenosine 640947 245702 812063 349446 174131 467635 467635 467635 476942 469575 509508 98433 494424 416765 234487 507214 525766 243348 712014 158910 89056 819012 693613 179770 334595 445994 327924 1088722 379492 703514 498393 3-methylhistidine 3-Methylhistidine 126753 164438 126377 151528 139450 179710 179710 179710 184941 183359 177008 162982 118343 256791 180591 251075 226770 152818 519149 142278 191441 197374 115457 138204 173125 174725 132770 185411 110617 143725 170568 4-guanidinobutanoate 4-Guanidinobutanoic acid 2319555 3329329 1847943 4584834 4419394 3091859 3091859 3091859 3090887 3026018 2999421 2385212 1155001 2988112 3992021 2113926 1844690 3265460 1834346 3059030 2607563 4240581 1355586 3174357 2638597 3771756 7226202 2375430 4134258 5163976 4935554 4-pyridoxate 4-Pyridoxic acid 760 1030 755 2835 1409 1192 1192 1192 1322 1351 1256 973 725 1995 1087 527 702 1447 1806 792 1276 1146 929 1200 1307 1505 523 742 918 1483 2420 5-hydroxytryptophol 5-Hydroxytryptophol 987 1140 1779 1220 1220 400 526 1294 340 1178 1687 532 489 2442 383 5924 1332 745 295 298 1118 540 5-methylcytidine 5-Methylcytidine 105063 138614 123843 150963 132372 129491 129491 129491 138254 121490 126298 125848 84008 185321 139290 110387 97026 140326 172323 125163 141811 141026 93178 126833 135263 144587 97144 116669 103543 112230 171640 5-methylcytosine 5-Methylcytosine 109916 124653 123393 126892 152946 140822 140822 140822 140026 141263 139404 144296 114893 151805 149690 172112 163555 152968 224003 131446 110732 126433 99371 126991 138045 166618 138537 129223 122452 153501 181755 7-methylguanine 7-Methylguanine 24905 32372 29977 32808 33051 32561 32561 32561 32101 33715 32131 29835 21388 52675 39993 25756 24846 38699 47652 29875 31226 35751 20055 30955 33924 37839 23309 30119 27004 28877 42662 acetylcholine Acetylcholine 9951 109457 38560 41132 106594 75702 75702 75702 74629 77852 75740 28391 33387 63748 111847 57914 48370 51959 85910 89726 60680 50409 14022 116058 39750 71531 62032 28706 39426 44171 457589 acisoga Acisoga 2561 3736 3033 2628 3256 3368 3368 3368 3566 3524 3385 3317 2516 4544 4413 4206 2880 3838 5969 3917 3637 4310 2401 2591 2819 3538 2178 3862 1837 2211 3799 adenosine Adenosine 26649395 15114727 32321561 18992590 15705487 24415915 24415915 24415915 24195223 24846748 24755608 16176969 7653510 25363124 17161950 21873168 14687765 16418752 32395516 14771117 10413834 45494609 27365554 15719223 20651643 27222764 22408378 37722898 24212993 27710029 26594480 ADMA Dimethylarginine 20167287 23433991 16355214 25792060 19775576 22740097 22740097 22740097 23493303 22498336 22616408 17626950 18642546 25609329 23886579 26397275 18981877 21786195 45920947 17067498 24309588 26119161 14239760 16522075 22036984 27926221 16084765 25733773 15707933 20426286 22126473 agmatine Agmatine 142206 251682 116743 201564 318210 251305 251305 251305 279866 261344 216590 457851 88010 139310 160922 356115 312114 205159 867739 130596 175706 286345 184158 148080 201912 242200 174032 316549 278044 191657 238791 ala-ala Ala-Ala 5367 2383 3902 5259 5435 6419 6419 6419 6421 6966 6635 8490 3868 6033 8646 7934 4367 2099 12633 2711 4767 7087 6751 4911 7405 10234 3349 13148 4576 5308 6830 alanine Alanine 599276 573682 449183 755584 491344 700500 700500 700500 701731 710583 695737 668924 528244 714601 961161 826415 713729 534324 1271960 601007 612312 800549 468981 714357 710461 768931 483979 860723 572616 678634 934564 allantoin Allantoin 62517 81326 66227 73914 77112 79607 79607 79607 78430 78136 78912 76581 49492 125317 99313 70107 55787 92457 107781 80046 81830 96003 49122 70446 74674 76867 61311 85836 57855 68041 106178 alpha-glycerophosphocholine sn-Glycero-3-phosphocholine 32955503 44024445 25230107 37864960 31900598 35370856 35370856 35370856 36343280 35268234 35197745 26596652 18456460 51108588 43900916 20853619 23532924 44555257 40181535 40522075 47612454 43649515 29193057 34768367 31898864 44994327 23153785 31580634 26768883 29658099 35069798 alpha-hydroxymetoprolol alpha-Hydroxymetoprolol 6576 7416 5062 8871 3828 5714 5714 5714 6851 6617 6602 2444 2123 5977 4288 5718 3630 5380 10012 6545 8165 10063 8759 4010 5974 6678 3387 12176 6557 3504 11309 anserine Anserine 11796 14603 18793 23964 15666 21717 21717 21717 24321 22340 22625 37123 18519 17475 18937 12712 22768 26831 24734 29215 20789 19749 9313 51640 16040 36583 21014 14762 15235 19724 19677 arachidoyl ethanolamide Eicosanoyl-EA 17086 56712 11946 9210 51302 17654 17654 17654 20808 18980 24106 12494 6869 15110 11560 11592 6331 23065 61117 13012 4089 15487 13174 5692 74509 9334 62113 12510 16230 6819 arginine Arginine 2603017 2928844 1815909 3247948 2401034 2673311 2673311 2673311 2679058 2622931 2652911 2442795 2292693 2800312 3116381 3014678 2012894 2366250 4453569 1854140 3199053 2860013 2101428 2107945 2649305 3232581 2130245 3741691 2363420 2652166 2884959 asparagine Asparagine 165055 199165 166024 239977 177549 209793 209793 209793 209272 209005 206514 168203 158146 250942 239646 253937 196551 184910 388799 171591 221182 204393 147311 173137 198438 231195 154394 228695 157788 188164 205074 aspartate Aspartic acid 385988 504602 376319 544581 475737 486843 486843 486843 495307 483702 484584 472813 302396 506738 592052 545660 418861 395974 750991 541023 630978 592870 482988 366520 423515 480561 453997 455991 324341 413812 515593 beta-alanine beta-Alanine 24246782 33388049 23087116 30837187 23480399 31433443 31433443 31433443 33447475 31194301 30260374 30940643 25054500 39047466 35855871 32575904 27363299 31223878 46794047 27631959 33469222 39076729 23723101 33510892 30943420 34781629 22641620 34032594 26772928 27109395 41315860 beta-guanidinopropionate 3-Guanidinopropanoic acid 50184 44932 51342 47661 40864 53935 53935 53935 57035 53898 55556 44516 28550 58112 56690 37740 31894 37848 56008 47009 77149 108737 63269 44357 67495 127348 60720 194190 64631 57483 56580 betaine Betaine 19280669 25829545 19166023 24704903 23175387 25591166 25591166 25591166 26052208 25767791 25616993 22702064 21457342 30093823 32181358 22086372 17638150 29029236 32287758 28458787 24499245 29392681 18369460 25391474 25361734 32401449 19677952 22363575 25008325 24671709 30860658 biliverdin Biliverdin 3221556 1664000 2509475 4565416 1323877 2463549 2463549 2463549 2381650 2521441 2524399 2186427 1865526 4452845 3599848 1032696 713994 1837400 1787486 1453614 2883597 2814673 2207347 2455028 2937780 3180419 1551507 1849530 2163120 2118881 3358086 biopterin Biopterin 65100 92519 68720 137507 48558 111150 111150 111150 111259 113695 112628 81259 108978 105621 89671 88961 81520 89551 209419 107826 209113 122002 152151 87127 94441 110881 50916 106034 120318 32312 153597 butyrobetaine 3-Dehydroxycarnitine 869384 1020975 927885 1250006 1032048 1054364 1054364 1054364 1070870 1062961 1043559 928939 654309 1468699 1171521 788657 640131 1113419 1160980 945922 1296661 1354991 734753 904079 1099093 1315425 854210 1126530 892422 1006646 1353802 C10 carnitine CAR 10:0 229183 223595 233818 282590 154782 226947 226947 226947 233355 228850 228764 155157 141401 304923 176536 118127 100899 177767 203354 185270 293834 270586 232756 233807 323596 395795 176626 297398 242843 160235 260093 C12:1 carnitine CAR 12:1 65815 83102 84681 93172 60926 76471 76471 76471 78964 73018 82709 52311 48093 122335 63471 38987 32525 63663 78864 66652 89913 80335 67582 72486 109157 125634 64335 88040 69167 63129 87401 C12 carnitine CAR 12:0 363145 424182 423994 481426 288234 396961 396961 396961 410461 391912 406802 254638 235804 577844 317712 256923 190391 359462 425438 347124 567384 473976 436388 355604 487750 623266 325820 496649 368626 274684 410039 C14:0 LPC LPC 14:0 88538 75992 112758 172278 95196 114002 114002 114002 116378 119477 114659 91549 48555 119985 115204 97836 93846 64218 167926 104261 100224 129333 85492 105580 124066 150887 93307 127565 113811 133085 166218 C14:0 SM SM 18:1;O2/14:0 26398 32253 7243 30223 13873 12162 12162 12162 17220 19662 13154 55087 4212 73638 54699 35930 15523 7759 23361 56230 32810 51598 46773 11849 27495 32258 34352 4143 C14:1 carnitine CAR 14:1 384204 468674 537614 516428 374930 460949 460949 460949 454517 457206 459732 265214 259615 863136 469056 291190 235615 430537 554939 427120 586741 541538 432607 403392 552913 610699 394455 566828 332676 361890 471554 C14:2 carnitine CAR 14:2 119704 130928 141638 155051 109094 144040 144040 144040 138799 145616 141657 86931 80391 254004 142334 91317 68041 125747 172849 116879 161166 180694 119060 136152 186868 208905 111984 195683 104962 134280 170883 C14 carnitine CAR 14:0 1060119 1280891 1382798 1418532 980681 1344499 1344499 1344499 1312623 1364200 1312525 762457 751887 2159397 1221513 1178715 729485 1385517 1789916 1291255 2167777 1755002 1486656 1160149 1531525 1838246 1091431 1523508 969147 815255 1233501 C16:0 Ceramide (d18:1) Cer 18:1;O2/16:0 1581721 579385 1368935 1009518 880833 1320358 1320358 1320358 1250772 1341476 1422232 1430991 2085513 1650418 1801426 1942768 1923521 1243089 1563280 1561553 1419722 1098949 1429432 1323901 1548933 900101 1173494 1187128 1418678 1408995 1071303 C16:0 LPC LPC 16:0 15570648 16598520 18736862 22959709 18050442 18367367 18367367 18367367 18532354 19152563 18304992 15059981 12490701 20909777 19300327 15468578 12878346 18904445 21342368 16205350 18710082 22509853 15931089 17522935 19806728 20809600 16346772 18894106 15907689 18599589 23771689 C16:0 LPE LPE 16:0 400686 458872 463732 565948 432670 461785 461785 461785 477764 454287 441158 361215 383236 549781 452399 434050 315469 408650 597009 337630 435655 553551 317796 370654 487032 526924 397104 564053 374286 447856 642089 C16:0 SM SM 18:1;O2/16:0 44655823 56022291 50200023 47189079 58249622 51227550 51227550 51227550 53121098 47257472 53045563 52393475 32800772 58150125 66961336 48844769 37663411 39562964 52246035 43144627 50939669 54006456 37387937 38486210 56121227 55561867 35135088 55131408 50317880 58967131 56261890 C16:1 LPC LPC 16:1 150783 174035 226700 314854 216567 222481 222481 222481 215601 225400 220444 170182 121347 254461 214969 178951 189284 176639 278180 178174 197058 234848 155292 219330 233966 291424 195988 171308 226039 234361 323107 C16:1 LPC plasmalogen LPC P-16:1 or LPC O-16:2 26136 13914 24922 22407 19845 19470 19470 19470 17989 22561 19161 16369 22025 23087 19922 20657 9419 16321 15842 17707 29868 19458 21944 16390 22539 18260 21411 19484 15091 24862 11199 C16:1 LPE LPE 16:1 4416 6552 6381 8297 7307 11493 11493 11493 10499 11781 10625 8506 15331 6023 6148 4511 33828 11706 13034 6620 8566 57912 7210 9097 10988 8465 7672 8339 4068 3871 12337 C16:1 SM SM 18:1;O2/16:1 1374771 3295768 2145228 2611655 2873440 2393374 2393374 2393374 2498557 2260834 2512385 2298016 1698792 3530130 2862485 2030997 1825067 2293988 3052217 2234772 2649860 2647905 1125661 1818625 3146906 2452564 1108501 2552066 1885705 2121554 3069728 C16 carnitine CAR 16:0 5023169 5495185 6649789 6513675 4875199 6096248 6096248 6096248 6092704 6200035 6432096 3200048 2999655 7391864 4859232 7917632 4877950 6625950 12170936 5962665 10794475 6584482 7042508 4535369 5671829 6235378 4704446 7063320 4270037 3702349 5280048 C16-OH carnitine CAR 16:0;OH 264021 282624 178179 268030 146920 307882 307882 307882 296307 315044 314096 157283 196306 376325 311367 249242 100473 282173 332955 383158 562675 629875 381382 381073 396932 441709 167779 316024 210270 133785 327456 C18:0 LPC LPC 18:0 9429221 8951365 9693758 10701014 9174047 9356743 9356743 9356743 9386039 9380107 9584517 8281762 6052471 10426204 11421144 8459471 7893100 10053085 9560555 9548153 11837517 10684691 8659674 9006200 10107616 9007657 8253005 9717670 7977585 9519597 9121622 C18:0 LPE A LPE 18:0 1196186 1054676 1103734 1293373 1046171 1158739 1158739 1158739 1180336 1188025 1095185 977735 1015640 1290481 1381061 1298585 891853 983034 1413503 836188 1106746 1210340 966383 870105 1165778 1288070 1064901 1702494 839575 1092620 1239799 C18:0 LPE B LPE 18:0 107269 109786 112799 182647 126237 142065 142065 142065 136548 141546 136901 99788 70999 164398 174707 126672 93741 145335 198397 130639 134416 183871 101933 140782 156831 156253 99613 139010 120205 146231 247506 C18:0 SM SM 18:1;O2/18:0 17348311 16614202 17980313 12752183 17461750 16742270 16742270 16742270 15620823 17706038 16874689 14855806 10395627 18305762 22654577 17261768 12746038 13480120 14548218 12103640 14379577 17345127 16031896 15426478 16940665 17763303 16543245 16178822 13816153 17072013 13852638 C18:1 carnitine CAR 18:1 2881901 2866585 3839353 2904624 2966651 3031216 3031216 3031216 3101696 3024092 3074317 1748636 1649067 3642846 2814801 3750758 3031364 3195224 4911159 3124090 3994948 2598820 3265639 2251689 2980609 2758705 2592535 3778904 2146190 2107690 2468078 C18:1 LPC LPC 18:1 870512 893291 1205414 1445772 1104997 1059775 1059775 1059775 1056753 1063923 1014813 821285 598338 1143916 1015233 842458 790278 988145 1244570 921872 1128171 1219192 938307 1016042 1117199 1269711 976001 966841 1074610 1262370 1271035 C18:1 LPC plasmalogen A LPC P-18:0 or LPC O-18:1 128571 78555 103855 126617 95068 98247 98247 98247 106422 95572 97444 64146 71700 115308 112474 82701 89916 96885 108095 102649 203098 98844 106164 66139 85275 106468 53255 124017 57703 80946 85573 C18:1 LPC plasmalogen B LPC P-18:0 or LPC O-18:1 71256 46851 55738 83210 59367 65258 65258 65258 58357 68582 71591 46722 53480 79776 69414 52123 35606 60982 83311 63955 110214 55995 59545 51866 66604 77107 60701 84797 36173 53547 60394 C18:1 LPE LPE 18:1 260717 230969 257512 287677 172973 242341 242341 242341 250108 241091 238307 190866 231974 317853 251360 337056 198232 200336 443834 140409 292104 241896 186419 130250 241388 276975 210721 265316 159850 206833 263860 C18:1-OH carnitine CAR 18:1;OH 240364 245369 189250 255339 149734 243582 243582 243582 253178 242651 253026 130023 141129 353779 316583 191341 98706 217062 332827 267063 390042 413029 254117 237429 301513 309854 153931 310271 162748 136425 307287 C18:1 SM SM 18:1;O2/18:1 2168299 4595965 3756820 3613848 4127547 3534872 3534872 3534872 3372328 3711097 3567484 2915649 1954744 5021806 4417645 3167552 2870411 3771251 4540857 2859912 3663320 4178899 1948190 3238243 3770914 3819781 2632863 2984230 2266833 2859791 4020959 C18:2 carnitine CAR 18:2 1419698 1648274 2020153 1726657 1534258 1806022 1806022 1806022 1756017 1836330 1853722 1105802 1041477 2262025 1520791 2121254 1463845 1664661 2792904 1611312 2199552 1931745 1603280 1742377 2171898 2016058 1463855 2305931 1409776 1437276 1906869 C18:2 LPC A LPC 18:2 1983683 2399677 2546615 5948582 2983898 3008335 3008335 3008335 3044104 3173761 2908297 1800271 1321416 2760498 2693417 2835855 2053117 3203563 3983004 2616991 4515253 3378743 2727122 2910380 3194886 3824404 2119930 2475719 3040126 3211673 4194117 C18:2 LPC B LPC 18:2 1450945 1309860 1756311 3062783 1130072 1580331 1580331 1580331 1585295 1553652 1606931 863169 847673 985454 1145483 1911738 972387 1563180 1882859 1289207 2911269 1714801 2158974 1239200 1430542 1631446 1277369 1597407 1772249 1116755 1691382 C18:2 LPE LPE 18:2 8794 9043 11924 25124 10699 13515 13515 13515 13045 14200 12926 8452 12440 18671 10904 14997 6113 15413 21558 8160 17376 17392 9345 11781 16301 19377 10330 12463 9813 10628 15941 C18:3 LPC LPC 18:3 234373 288997 323172 433499 361378 327406 327406 327406 334503 344210 330343 351510 213285 392364 377576 285482 240932 340655 408905 296251 321617 365975 262520 309162 339146 349067 270139 295458 276982 321631 460189 C18:3 LPE LPE 18:3 37506 37899 44945 49196 38105 40046 40046 40046 42356 42414 38520 36331 36679 42219 40029 42013 25413 35399 51561 31643 34381 35551 27277 31488 39196 38660 39813 44842 33550 38809 49862 C18 carnitine CAR 18:0 5940884 4961712 5084716 5666227 4196832 4980632 4980632 4980632 5003706 5036307 4931255 3036229 3087473 4177185 3405000 6194183 5181053 5414066 7924007 5386470 8297946 4654713 7361257 3470998 4070780 4257416 3427013 6222944 4150314 2671355 3971044 C20:0 LPE LPE 20:0 259250 229652 278637 331632 277651 280864 280864 280864 270784 262021 267110 197173 164610 308565 350600 234514 191959 296170 310122 261401 324826 319556 257448 272315 282461 286885 234130 291093 228383 269012 338691 C20:0 SM SM 18:1;O2/20:0 3730275 3403965 3814676 2527441 3830840 3309118 3309118 3309118 3278540 3293336 3407224 2643359 2508560 3648954 4198126 3615414 2405730 2821335 2540293 1939387 2459366 2949288 3023781 3110226 3237340 3408620 4022887 3129376 3123661 3832821 2940624 C20:1 LPC LPC 20:1 49833 33622 62794 61291 40929 50893 50893 50893 50202 51531 50145 41212 32526 68340 60707 51714 35141 41601 56276 35362 56123 72903 44694 39478 65902 57287 46254 64261 54168 70069 51970 C20:3 LPC LPC 20:3 619941 603019 766726 1120250 582037 692235 692235 692235 703532 686648 683530 443669 254795 769266 701719 649450 462363 729723 1086454 569697 1277872 697280 728702 549575 608145 702769 523455 800374 527890 441150 873500 C20:4 carnitine CAR 20:4 1444300 836363 1028210 1065478 880798 1044382 1044382 1044382 1042798 1047816 1064938 916880 874120 1028723 1122887 862528 741577 770629 1140859 775759 1011513 962637 1077447 1076543 1332863 1016398 835390 1582877 965791 1062995 1091879 C20:4 LPC LPC 20:4 1324655 1139515 1721934 2560699 1651598 1596430 1596430 1596430 1617403 1585341 1622011 977859 617808 1578764 1514146 1757213 1440919 1666751 3029593 1828055 3415695 1458920 1699391 1118925 1366337 1476053 1055544 1617319 1067860 1108310 1370534 C20:4 LPE LPE 20:4 739371 433704 505824 581198 561736 555049 555049 555049 577303 571264 555951 403328 497867 555064 537374 838764 507506 377861 914239 364930 603720 499760 494664 351424 403318 562717 516616 824568 391140 424144 590958 C20:5 LPC LPC 20:5 28976 37852 62117 128966 66680 59773 59773 59773 56833 61735 61907 34062 8355 42307 41828 46083 34169 50122 70497 43073 96023 47106 50749 44561 49129 69994 44993 42654 59052 57031 79229 C20 carnitine CAR 20:0 627798 470227 562327 804256 413180 465162 465162 465162 478178 446161 480562 336024 351511 380758 261018 365823 234063 467840 530889 362101 735723 415397 635861 341480 409059 414005 378132 667058 489886 243366 547281 C22:0 SM SM 18:1;O2/22:0 3093101 2405171 2864232 2051350 2854299 2502419 2502419 2502419 2442117 2470200 2713234 1751910 2167343 2433489 2692295 2730325 1857840 2300142 2004744 1476425 2030360 2107212 2518712 2268710 2267311 2432842 2944434 2422188 2402600 2486912 2252401 C22:4 LPC LPC 22:4 1182211 773601 801733 1643395 523793 1638650 1638650 1638650 1624832 1637190 1673235 1039377 2008784 962083 920276 1203139 5298837 1798421 1708993 1209854 1803867 3164968 1102679 1489002 3060235 961713 2272689 1376779 1162244 750407 1233204 C22:5 LPC LPC 22:5 491080 390993 727222 820602 393715 518324 518324 518324 520203 518243 519958 258865 175828 490881 428109 632457 291206 533938 958907 428478 1010979 580731 654864 382634 406468 571142 348046 726343 362946 212749 602480 C22:6 LPC LPC 22:6 2039370 1790997 2666753 3283174 1601236 2047987 2047987 2047987 2077982 2061051 2093138 948767 765702 1809328 1717895 2289062 1168754 2128205 4408126 1848494 4892477 2262009 2772359 1430403 1774142 2193007 1151670 2722941 1146708 692431 1971360 C22:6 LPE LPE 22:6 69522 37416 29305 37618 64724 26422 26422 26422 45268 20067 25170 9587 13684 23096 30850 46661 31361 4908 66970 15968 37680 7253 16378 10093 13634 49009 57836 16844 4524 38159 C24:0 LPC LPC 24:0 89711 34771 42756 61333 29670 45683 45683 45683 43187 44064 48616 30360 13022 44141 76240 41224 12702 28944 19239 47055 78626 48443 46939 51010 48539 50459 62178 94687 50967 50918 28184 C24:1 ceramide (d18:1) Cer 18:1;O2/24:1 3070818 939507 2516372 2582004 1676504 2341937 2341937 2341937 2300555 2105583 2168278 1730622 2744507 2472475 3279127 2383943 1843892 2154319 2032443 2440794 2372353 1656083 2418712 2392763 2263581 1315601 2976839 2189366 2243114 2253308 2127617 C26 carnitine CAR 26:0 28665 14142 16488 31436 17028 23679 23679 23679 22586 22615 24323 18942 20314 30381 30677 21002 8371 19225 35044 19800 39629 22078 23508 22999 27275 26552 13551 42555 17623 21916 24418 C2 carnitine CAR 2:0 67532202 83820143 66989202 87301126 72755917 74952941 74952941 74952941 76219067 75047195 75739905 57737507 57864244 100186588 77527546 48959928 43351798 75154876 79765016 67444008 88779768 80439611 61125288 70372529 82739584 91951040 64140175 83094539 63931474 71698897 84693233 C30:0 PC PC 30:0 5238550 6464783 4983867 6489188 5406066 6200321 6200321 6200321 6233401 6488583 6829143 5789534 3297055 7196829 7248296 6106660 7208588 4518722 8554907 7638565 5875229 6991616 4222422 6383258 6417274 7628551 4896617 7989099 4848118 6623559 7102141 C32:2 PC PC 32:2 1559785 2182582 1637953 2209056 1330887 1979565 1979565 1979565 1898366 2018815 2107570 1793992 1593087 2180524 1517935 1977921 2061557 1589931 2674361 2392160 2430065 2137214 1722838 2110547 2229670 2433134 1326712 2142664 1744874 1583944 2248245 C34:0 PE PE 34:0 2352040 2805537 2386934 2447508 2437067 2583071 2583071 2583071 2597866 2712074 2908351 2289529 1601884 2900053 3478136 2432344 2289610 2614976 2957617 2918954 2204265 2942334 2181991 2750274 2535030 2642950 2264930 2536585 2466615 2828521 3287652 C34:1 DAG DG 34:1 3687 18464 19923 49587 14982 32235 32235 32235 29944 37905 37407 14876 62083 73189 36052 10625 26748 47936 61471 65633 51184 23425 17371 42625 42699 35503 22646 20218 12199 20273 25303 C34:2 PE PE 34:2 2725995 3038501 3201821 3427886 2236444 3099508 3099508 3099508 3295040 3002961 2905098 2763076 3179498 3447448 2431634 2520125 1953512 2540388 3295913 2797684 3500779 3538067 3249213 3114562 3253742 3219262 2570761 3540903 3323642 2675924 3656016 C34:2 PE plasmalogen PE P-34:1 or PE O-34:2 442282 868144 613242 496277 983976 652608 652608 652608 644284 636728 670963 820823 578572 757163 816704 755219 650047 763264 549270 713255 553485 611778 442039 648613 633631 575315 747920 397688 620314 673103 549415 C34:3 PC PC 34:3 4283825 4607157 4637153 4336039 4249611 4468680 4468680 4468680 4431405 4601272 4719532 4489667 3908287 4679905 4504999 4804093 4956326 4254159 5428985 4926052 4334736 4597011 4286199 4550516 4452564 4581478 4436251 4313918 4219800 4659507 4397606 C34:3 PC plasmalogen PC P-34:2 or PC O-34:3 196948 359428 278655 251689 456960 369734 369734 369734 373546 378129 342315 524159 485011 557390 330849 366257 295078 341574 385950 273165 338193 295761 180668 407274 395980 501019 386924 238817 475392 419471 409729 C34:3 PE plasmalogen PE P-34:2 or PE O-34:3 146304 252431 212738 209523 238037 226862 226862 226862 230594 209201 225437 238255 242005 287637 186566 189276 186089 195047 224969 241867 227748 238114 170451 255717 245357 254852 244224 192456 243130 293287 228405 C34:4 PC PC 34:4 981713 983496 834539 1047551 658787 1021361 1021361 1021361 1003643 993539 1074031 874679 1071222 753373 1014798 865759 977014 782752 1049658 1129204 1078111 1092719 1189546 1173993 1072457 1101240 765763 1201260 1046795 777950 1351351 C36:2 PC PC 36:2 403696718 464872075 443750600 477659811 438542840 473610965 473610965 473610965 482312023 468576644 489600684 458406946 451322683 558755841 433870381 533570248 490525483 467645410 652935856 481811173 554887029 478822094 425590980 413681579 476655432 505779738 444848852 457356126 426361787 481644326 421691785 C36:2 PE PE 36:2 4707901 5692549 5341866 5311358 4837464 5351530 5351530 5351530 5667289 5147434 5465302 5554119 4734846 5717640 5323822 5558409 4726538 5150724 6945053 5442114 6324683 5775768 5856070 4631468 5125935 5425209 5192573 5966120 5229582 4792231 4895756 C36:3 PE plasmalogen PE P-36:2 or PE O-36:3 303153 649053 459420 394736 729295 499817 499817 499817 506232 484797 489545 676573 430286 588470 541931 555442 497173 540242 493054 470976 479834 494191 332745 448241 505299 493679 613725 335485 482408 569143 434151 C36:4 PE PE 36:4 7242819 6650767 6519154 8127798 5046423 8078535 8078535 8078535 7995574 7973578 8130381 7048431 8040396 8057965 6834803 6429217 5637331 6079028 8975043 6991129 7963606 9502633 7815809 9729984 9305398 8636614 6477954 9739486 8719932 7942211 12173810 C36:5 PC plasmalogen PC P-36:4 or PC O-36:5 10790396 12798354 11052385 12357715 12393488 11682279 11682279 11682279 11516799 11524738 11955563 11180010 10666254 14565456 11070715 10061166 7811219 12153046 11796018 11084777 12892055 12154369 9355688 12294371 12850521 13297415 11811812 10762476 10699320 10749386 11899850 C36:5 PE plasmalogen PE P-36:4 or PE O-36:5 10005254 13663250 12796218 13145690 13237452 12539354 12539354 12539354 12522840 12196787 12830649 12387820 11086614 14074180 11678466 11482904 9324957 12901820 12926481 11806964 12727461 13740867 10298540 12471282 12836227 12958546 11952619 10841869 11500956 11870925 12812115 C38:4 PE PE 38:4 25983935 22514431 22202946 24555858 19908232 24559921 24559921 24559921 24881783 24590116 24873709 23554747 23033842 23866529 25497965 22827125 19924739 18412559 26865178 22064179 25039438 27307612 25437330 25031391 25932508 25663641 21965281 30902321 23712784 24778214 28626649 C38:5 PE plasmalogen PE P-38:4 or PE O-38:5 22789079 22220104 22468270 21814604 23591978 22162045 22162045 22162045 22047547 21454256 22686497 21415317 19336315 23354144 22631849 19894532 16211711 19961567 21778130 20943173 22977312 23026033 23166309 20626998 22289412 24124941 20884666 22017609 21065188 21249040 21243517 C38:6 PC plasmalogen PC P-38:5 or PC O-38:6 4590374 5266382 4300643 5273986 5305340 5053033 5053033 5053033 4834892 5008916 5186068 4882178 4418535 7074362 5467623 4369739 3290199 5275553 5348758 4507326 6162951 5002377 3520994 5094973 5570310 6285223 4768679 4268580 4487918 4880263 4994000 C38:6 PE PE 38:6 1503329 1675710 1455426 1920051 1515813 1778038 1778038 1778038 1813474 1787946 1782157 1667009 1399530 1900718 1870198 1838734 1827347 1595613 2337963 1808521 1899701 2031516 1602732 1877964 1829454 1794077 1464195 1921728 1615764 1459714 2307330 C38:6 PE plasmalogen PE P-38:5 or PE O-38:6 6889760 9245359 8388809 8942157 8677408 8500910 8500910 8500910 8441179 8272042 8628020 8007364 6806025 9953424 8454631 7873676 6845092 9040097 9947863 7991854 8850158 9316005 6928087 7968020 8853819 8660312 7740534 7341719 7058614 8259295 8848045 C38:7 PC plasmalogen PC P-38:6 or PC O-38:7 965042 1340374 972893 1209394 1381066 1254905 1254905 1254905 1177065 1229272 1267578 1369278 1132954 1743666 1449935 1132242 821956 1385440 1324109 1109202 1395299 1272723 801639 1363777 1386088 1607397 1091919 1023005 1244240 1126681 1388814 C38:7 PE plasmalogen PE P-38:6 or PE O-38:7 1886277 2750541 2315281 2515394 2743876 2545607 2545607 2545607 2501489 2451324 2607024 2434215 1910972 2842525 2660064 2466589 2088969 2761803 2862773 2673955 2565699 2833841 2153212 2370899 2457523 2506558 2154581 2085840 2161100 2194677 2786438 C3 carnitine CAR 3:0 2938885 3293206 1316322 3485398 3034298 2280171 2280171 2280171 2280973 2247400 2300549 1719184 1299628 2165356 2687533 1226001 1680205 2834824 2456989 1651319 2170356 2315508 1258833 1922855 1676139 3383631 1469938 1917207 1975371 2024357 3659515 C3-DC carnitine CAR DC3:0 4262 3285 3115 4729 3653 3808 3808 3808 3641 3607 3698 3468 3583 6109 4965 2491 1851 3746 4155 2947 4618 3418 2412 4008 4702 5207 3340 3507 2697 4026 3473 C3-DC-CH3 carnitine CAR 3:0;2Me 20559 20480 9047 28561 10922 20234 20234 20234 21484 18865 19025 20423 9884 52542 38388 7865 7890 10487 27962 11798 23145 33121 7978 18546 30474 47423 8848 28152 11336 30949 24407 C40:6 PE PE 40:6 1653235 1746979 1523627 1841393 1633765 1821973 1821973 1821973 1803441 1775609 1889331 1575366 1226380 1709864 2230504 1905418 1803851 1536430 2396456 1941096 1929709 2002455 1638271 1645057 1698718 1766841 1537789 2052381 1538194 1430382 2041040 C40:7 PE plasmalogen PE P-40:6 or PE O-40:7 3156717 3843214 3309650 3371160 4299287 3579904 3579904 3579904 3558179 3634542 3667733 4008712 2836496 4241488 4293463 3398334 3181937 3497309 3759462 3723874 3680315 3559442 3414955 3201576 3471840 4012009 3111227 3125582 3643652 3202763 3685711 C4 carnitine CAR 4:0 12179287 18656604 7089712 18675220 19361154 10872801 10872801 10872801 10962060 10971650 11040239 5080372 3483582 7487502 10213918 7748458 7601009 18391415 9799110 6519377 8933411 8806293 6665793 9057247 7116500 18575995 6173553 9056022 8320118 6811972 22403459 C4-OH carnitine CAR 4:0;OH 2666 3577 2542 4549 9139 5991 5991 5991 4427 5121 3757 5957 3373 10056 6361 6131 4639 4775 6181 2159 4146 7236 3169 6544 3367 6919 4623 2385 5856 4392 7356 C5:1 carnitine CAR 5:1 1296238 1286636 894096 1524718 1155570 1194892 1194892 1194892 1430507 1041013 1225674 746815 594288 1156864 1441358 1089289 1302789 1122849 2210291 1033606 1121391 1308188 814749 757873 919420 1229127 836286 1969135 921879 1051097 1524908 C5 carnitine CAR 5:0 816381 680995 470665 1007049 816241 831195 831195 831195 828810 830802 812198 450221 292509 713238 1079472 1078756 1380336 794517 2215441 501510 633955 730553 471205 550600 584716 961895 465266 1215179 637995 718168 1034836 C6 carnitine CAR 6:0 760758 541612 515875 727135 455022 657446 657446 657446 657815 657342 654433 617216 424111 583751 892471 881258 600973 499747 737960 387858 845833 798195 577053 764444 915211 728635 453771 841648 876012 589806 569052 C7 carnitine CAR 7:0 50355 42951 25337 62243 41716 39234 39234 39234 40557 39184 39192 22482 15148 32672 35421 30413 24817 50935 47038 27426 36373 41165 29509 39642 34140 64864 25351 48128 36414 35387 64315 C8 carnitine CAR 8:0 369858 361266 335024 481847 250737 356176 356176 356176 352195 351248 354599 230034 149209 410000 320260 317045 209636 257857 463803 276263 470508 386588 393181 328307 405614 488546 266987 579131 382046 254203 401056 cadaverine Cadaverine 553 328 159 246 216 2782 2782 2782 2580 2725 3238 590 263 313 1860 6784 12229 172 23022 1054 459 539 186 239 286 342 311 923 342 368 715 cAMP 3',5' cyclic AMP 68192 186243 95729 315695 439723 181014 181014 181014 127723 193587 214516 168198 56717 316564 246933 118183 104451 238517 285900 350516 696649 156098 212298 206898 53643 233160 49482 147508 57758 129560 139623 carnitine Carnitine 56438640 52146389 45556653 60259988 45169911 55383098 55383098 55383098 56395175 55739265 55691080 57275250 52278007 72100558 62757410 30363758 28602246 48352150 48892933 42184576 56419834 67586289 37295470 59814089 66614425 70109068 48627458 63154227 51189549 67172773 64542972 C-glycosyltryptophan C-Glycosyltryptophan 60501 87154 72516 85217 89127 82938 82938 82938 78205 85261 86965 71722 43556 125671 115150 57568 53197 100349 95784 102175 82693 99316 53773 70932 81291 90529 57378 71152 59564 79203 95739 choline Choline 15153841 11772248 15181801 14592922 13514076 13428747 13428747 13428747 13290573 13368391 13283898 10579258 11551175 16416485 15796072 11012569 9342273 13023216 14939126 10252354 15181107 14770510 13899839 9258289 11759776 14192237 12404346 13222380 11502984 13264029 13672940 citrulline Citrulline 295816 309974 254359 373565 309756 368149 368149 368149 359815 356884 377252 264803 182924 392622 390151 629968 449237 382778 1116172 331142 434479 352588 269910 274053 305681 323101 230805 293827 230365 242691 386215 creatine Creatine 20532472 24162425 22212054 25282333 22494613 24282831 24282831 24282831 24107956 23960631 24328075 23808488 18544192 27690193 25198325 19904429 20482524 23718935 24560442 23090682 25566341 27744768 20184079 22526308 26563755 27190694 21133338 30173651 19836376 23571856 27457508 creatinine Creatinine 693424 966742 755382 797707 1068453 977632 977632 977632 950076 952679 981272 909028 693632 1228435 1044158 903322 925795 1093818 1013754 976478 942599 1018379 648584 880604 902563 909021 769296 862524 721201 837129 1144436 cyclohexylamine Cyclohexylamine 180845 115022 622069 227786 79735 457068 457068 457068 463358 460098 460745 122776 1125407 248782 144191 486057 1032030 1005222 973929 199581 416299 908298 598526 171693 199382 80525 179091 149774 95965 269079 945993 cystine Cystine 67888 67201 63440 82780 75285 75521 75521 75521 74679 77507 73543 63762 183151 109681 79514 36333 34151 69894 125434 52426 126632 115761 64880 48713 100094 86446 48559 82640 57494 87110 85074 cytidine Cytidine 1475516 1337013 1607159 1672427 1299053 1589040 1589040 1589040 1565564 1539762 1583311 1318277 1312141 1733179 1583591 1511870 1489228 1243104 2455079 1273388 1701528 1590730 1358038 1130858 1386258 1593414 1188946 1892240 1251636 1426398 1743175 dimethylglycine Dimethylglycine 14534372 15298232 13315667 16012904 18250932 18472709 18472709 18472709 17222443 20135903 18893122 15023128 13136600 28447043 22068597 17572756 14951426 20347605 31889038 21754870 20481911 21937629 15303288 15521710 15579124 22168116 11068159 19979686 13121060 15410290 21269744 ectoine Ectoine 10663 25517 8055 27917 14359 22030 22030 22030 23656 23023 23797 21456 33646 23913 36068 32989 19073 50114 26314 34595 31598 13036 6559 17929 12175 20074 10485 11404 16852 26175 20774 GABA gamma-Aminobutyric acid 13150258 328037693 115478462 45263570 186101667 158044404 158044404 158044404 155405561 155787149 156247622 250696366 193889160 233465148 230846917 389346206 196762583 283977245 144741944 48211672 134192954 100447294 12367425 134317184 159565136 119223869 68477549 21735494 192736761 126285137 197614215 glutamate Glutamic acid 2215407 2274459 2063216 2614918 2282072 2381147 2381147 2381147 2434107 2409461 2374419 2340046 1663781 2639161 2681122 2424556 2197197 2257411 3455103 2489628 2653634 2700688 2158942 1984975 2164243 2471828 2137298 2473425 1951641 2088367 2593335 glutamine Glutamine 3519675 4729441 3755680 4324781 4121761 4495468 4495468 4495468 4516195 4452849 4459043 4365066 3406012 5682878 4878061 5838973 5093837 4304301 9272809 4174963 4263812 5189833 3070184 3553848 4427195 4666094 3393509 3876170 3042690 3855841 4858241 glutathione reduced Glutathione 9247795 5940156 7917807 11087265 5825571 9888866 9888866 9888866 9943342 10088826 9564826 9748196 3975920 12244464 11165955 8061008 8574841 5284572 16159880 7804275 7632900 11948888 7267135 8686770 11564899 12909082 7864365 17826388 9352624 11216305 11785538 glycine Glycine 90746 215067 140277 146029 184091 199074 199074 199074 197968 200400 196488 216923 189553 268700 220794 298678 217558 202278 478382 140782 184430 202585 117890 180060 187204 217668 126922 140836 174568 121568 252305 guanidinoacetate Guanidoacetic acid 34451 22989 23993 43826 29826 42784 42784 42784 45310 43360 40279 39585 21648 48572 49757 52271 43338 21446 93980 27978 29221 51405 34255 33499 38085 41882 57288 52125 32751 52966 49741 guanosine Guanosine 1731556 690028 2776062 657936 560659 1111524 1111524 1111524 1096221 1113878 1136782 274094 523444 1023973 687304 717675 789902 494293 1366506 461301 320549 1921857 2070362 422253 782880 889073 816877 2036249 1081173 1797850 918513 hippurate Hippuric acid 20859 23354 19324 31740 23069 23122 23122 23122 24010 21932 22912 10901 11869 17019 25537 7385 7525 13863 10436 14237 13981 22203 9107 20168 23643 30368 16095 26008 24854 25980 43524 histamine Histamine 704540 5242839 5996355 4748377 6242263 4847285 4847285 4847285 4846232 4793397 4797731 4088882 4055743 8717877 4090797 3519507 4145983 6169643 6679962 4409585 5561007 4998496 2641282 4564730 5796046 5824100 3117537 1802058 3677167 5878014 5336320 histidine Histidine 533216 606401 444212 725826 544072 571540 571540 571540 576730 554576 553518 503487 429064 683176 593802 730277 512877 545117 1534167 376025 885401 649599 417447 422113 571245 646431 416333 667077 457750 543594 627640 homoarginine Homoarginine 17311 12500 3479 11131 12127 12290 12290 12290 12062 11451 11668 11985 7754 12907 27484 22094 15184 13530 42824 11829 18093 13183 6361 6266 8270 7421 5351 17876 4797 7725 14043 hydroxyproline Hydroxyproline 192919 168574 143934 227239 159170 234425 234425 234425 238298 236361 222291 219226 108522 274872 319414 385564 334887 156366 697185 211294 186381 264946 138790 171782 195675 238476 129126 258550 156732 219249 208600 hypotaurine Hypotaurine 100583 111130 105163 140236 72254 115127 115127 115127 119066 115658 117291 92283 58091 170699 103472 73175 101533 133013 113673 111327 149613 134896 105694 110619 117536 130206 85517 178759 96048 121208 130430 imidazoleacetate Imidazoleacetic acid 6801 12444 28733 12008 12905 21168 21168 21168 19407 20740 19767 22027 119126 23989 17508 7931 12744 22199 25688 17116 28593 16833 14728 28392 15590 18181 8620 9586 13014 17162 14584 imidazole propionate Imidazole propanoate 18869 22757 53040 36507 25936 32436 32436 32436 32142 32439 32842 20791 10682 56183 28090 33254 24967 33491 38836 43058 22657 110562 16735 29295 18737 28035 29634 23961 28480 29146 39679 inosine Inosine 8701517 6112791 11540904 4064806 3635631 7213698 7213698 7213698 7098608 7314752 7037283 3136102 7933458 8018196 4632879 4229884 5277129 4329141 6207687 3971175 1606397 10510791 8757734 3881929 8398174 9566903 5477463 8274629 5695475 8611535 6981351 isoleucine Isoleucine 181051224 195583408 195194170 243646906 198205360 213693034 213693034 213693034 215320157 217044155 215533563 153784243 123649016 312463467 227306213 226583158 172664761 198972965 436765675 170656861 268331294 243056945 156798743 155122526 210886790 258199352 173761940 240203541 168092221 173528283 246531599 kynurenate Kynurenic acid 1886 2517 9645 3499 3249 10283 10283 10283 11671 10862 11508 6809 18360 33135 10739 33649 24461 11797 45347 13248 13326 2511 961 8171 11207 11667 2277 1479 1812 1677 4725 L-alpha-glutamyl-L-Lysine Glu-Lys 478900 538984 442781 636304 528041 533273 533273 533273 577444 510900 549763 446024 412283 615724 599413 572601 400396 572120 838540 592827 798670 615270 521504 351631 422769 518191 395834 535720 358395 393765 504575 leucine Leucine 284593824 309463286 285948958 374277473 300443703 328836493 328836493 328836493 328908212 319774567 335859579 247576273 218596756 440646269 346234908 329154261 261333751 310590194 622120576 257263597 379865578 350037860 242710887 247069574 324226894 387886442 257258908 389139449 254964189 269809023 395215545 leu-gly Leu-Gly 4749 4154 3707 5402 3434 4284 4284 4284 4670 4067 4632 4667 2737 4359 4872 3195 2141 3261 6040 2737 5064 5948 4839 3477 3814 7291 2779 7426 3411 2965 5729 linoleoyl ethanolamide Linoleoyl-EA 160383 371585 118173 94853 365282 156999 156999 156999 162322 156268 164755 109852 111234 133555 121050 117839 39818 81125 132996 226525 135577 52782 127012 139510 89903 510521 101060 371802 147879 138361 92488 lysine Lysine 1094329 1608267 1395860 1701729 1688907 1637954 1637954 1637954 1613017 1602001 1605977 1521904 1131582 2556854 1840842 1920844 1799668 2000114 3528608 1390494 2082645 1959147 1007633 1166304 1585862 1787067 1030575 1355053 1016743 1454955 1910860 methionine Methionine 285502 325527 279988 405529 268728 344692 344692 344692 345205 346876 348572 215453 256285 446425 363901 385594 287954 331365 706191 260814 401677 385492 250112 271241 336227 415951 244674 394091 267232 317512 391199 methionine sulfoxide Methionine sulfoxide 3659 4425 2800 12194 2939 6356 6356 6356 5385 6625 6200 4504 3012 10263 9119 5529 3961 5445 16032 3229 12333 10203 3580 5010 8594 13647 2671 6495 3920 7561 6437 methylguanidine Methylguanidine 4950 1957 1402 3920 3632 3097 3097 3097 3173 3093 3119 3541 2117 2519 3664 1938 2145 3189 2462 3032 2903 3276 1765 3142 2078 4689 1653 4565 2708 2622 3052 methylimidazoleacetate Methylimidazoleacetic acid 1400 4460 2045 1672 4587 4523 4523 4523 5239 4841 3947 2152 481 9964 5726 7888 8724 6640 17392 5315 11505 7183 1277 916 747 1739 1099 3235 1312 1721 7118 methyl N-methylanthranilate Methyl N-methylanthranilate 11825 4529 12600 15671 5881 8923 8923 8923 9907 10810 8928 12047 9102 12180 15284 7555 8751 7614 8453 15153 7605 15525 10483 7978 9268 7352 2843 11778 7564 11268 methylthioadenosine Methylthioadenosine 2099694 1922454 1765579 2049891 2123424 2369086 2369086 2369086 2403407 2457299 2466573 1486583 1270531 3017561 2599602 2944028 2350015 1730849 2499499 1691655 1981432 1759729 1584696 1561416 1706917 1557670 1874951 2202576 1660741 1712971 2716764 N1-acetylspermidine N1-Acetylspermidine 915634 951811 800160 1014300 801944 926122 926122 926122 937405 918711 927901 672957 557638 1098777 1041545 993884 788705 839173 1522408 614742 984138 1035275 631995 860377 1022885 1055792 824649 1031708 785725 998436 1046118 N1-methyl-2-pyridone-5-carboxamide N1-Methyl-2-pyridone-5-carboxamide 50949 44547 54221 51671 66597 51998 51998 51998 53407 49938 53139 40088 22746 65836 58097 44060 42804 53258 56163 55339 50884 47913 36185 39176 50082 57084 47409 55505 48157 49525 71041 N2_N2-dimethylguanosine N2,N2-Dimethylguanosine 432722 576358 415445 586561 419135 482550 482550 482550 474918 490074 480245 404465 281843 681770 581327 490031 442608 617664 819173 466288 506863 539663 256840 413568 488270 595752 371749 553481 332165 411431 640548 N4-acetylcytidine N4-Acetylcytidine 86998 121426 92388 87803 81121 99576 99576 99576 99307 100537 100739 89745 73832 149706 122945 88247 72846 108473 132188 85773 100042 77468 63475 91636 117629 106008 92911 117485 77996 81087 128987 N6-acetyllysine N6-Acetyllysine 30834 28389 24506 34935 27302 31604 31604 31604 32045 30359 32910 26539 19258 39551 39720 29751 22403 32978 48394 26779 37758 36302 23347 23860 30267 33119 22332 45586 21591 30258 33103 N6-methyllysine N(6)-Methyllysine 3677 5797 4226 5650 5593 5377 5377 5377 5629 5083 5402 4657 4057 7714 5816 5352 3724 6326 8758 4553 6765 6597 3157 4435 5347 5694 3836 5115 4084 5894 6399 N6_N6-dimethyllysine N(6),N(6)-Dimethyl-lysine 9370 10206 6295 10186 7088 9619 9619 9619 9699 9888 9765 7139 7824 12958 10668 12352 8145 12094 15106 8830 12938 12092 6213 7582 10703 12549 6509 10841 6309 9012 7886 N6_N6_N6-trimethyllysine N-6-Trimethyllysine 183987 288067 202415 279286 249441 247218 247218 247218 246554 247830 248788 177559 165840 292446 263865 223669 181815 269578 404255 193181 400972 293880 190239 184681 257644 363879 156248 267931 186666 189620 245763 N-acetylaspartate N-Acetylaspartic acid 17518 24466 23922 26499 25531 32697 32697 32697 32228 33225 33019 20027 18453 33015 28764 48399 56511 28105 134863 22075 22461 29294 18763 25888 28809 31230 15622 51371 18653 21457 26304 N-acetylgalactosamine N-Acetyl-D-galactosamine 12382 21175 13914 18338 16036 16390 16390 16390 16812 16249 16714 19248 13568 17919 18455 22691 16356 13446 21452 13220 18557 14363 10288 12594 18408 10206 15118 19389 12223 14225 20394 N-acetylglutamine N-Acetylglutamine 576404 499744 367656 543396 399129 558749 558749 558749 570310 636424 607784 592592 361734 653365 572267 895463 677702 433981 1839178 445795 731732 556120 381503 400772 468358 631471 448550 533388 375251 352125 590939 N-acetylhistamine N-Acetylhistamine 3542 3612 4996 4763 4199 4672 4672 4672 4433 4409 5046 3572 4905 7516 4640 2814 5089 5958 4663 4895 6381 3342 3856 5509 5190 3061 4059 3279 4142 4974 N-acetylhistidine N-Acetylhistidine 12658 10428 9453 14352 13782 15922 15922 15922 14909 15481 16761 13856 8125 16070 16565 33162 21318 15214 54136 15886 15682 12165 12177 10087 12357 11720 8897 6734 10681 6490 13793 N-acetylleucine N-Acetylleucine 213412 120791 543368 196979 118900 229908 229908 229908 229216 223141 229006 170149 306918 284003 184385 373134 184492 254602 337977 334423 215280 277954 147090 207237 201205 126843 116962 152461 95213 108889 296125 N-acetylmethionine N-Acetylmethionine 522298 211262 292277 363981 224888 355014 355014 355014 358888 313700 345976 230497 1197737 405328 289691 398893 26000 153117 630844 196665 310681 185975 264607 157084 245253 416176 198757 713618 211464 276652 342544 N-acetylornithine N-Acetylornithine 52965 71697 58226 88257 59777 87687 87687 87687 88203 86797 86964 67077 49026 107988 76252 122662 100003 87884 206874 60792 82108 97353 64329 68144 94350 103183 73392 87405 67388 75989 96133 N-acetylputrescine N-Acetylputrescine 20350 40522 19674 28229 28128 76040 76040 76040 73531 77165 76219 36467 24265 45392 44876 234262 260454 25055 579691 44797 30408 32522 17662 34338 37134 40286 25334 77848 35888 42092 54426 N-acetyltryptophan N-Acetyl-tryptophan 1836 1366 2046 1572 1000 1775 1775 1775 1466 2159 2023 1347 1689 3363 2233 3149 2552 2269 4656 1511 2860 1836 718 1446 1511 2404 1173 2244 568 1498 1239 N-alpha-acetylarginine Pelargonidin 42209 42523 27563 56355 36033 51763 51763 51763 49134 50792 51720 45421 30901 65380 55789 46439 40223 38359 95687 28476 38344 64714 30711 36648 60231 55960 33939 98094 35785 68925 59980 N-carbamoyl-beta-alanine Ureidopropionic acid 5263 5837 9681 7376 11809 7482 7482 7482 7397 7492 7960 6399 4141 13138 8474 6315 6126 10552 10838 9966 10069 10576 4747 5886 5910 7387 4271 5211 3333 5132 7518 niacinamide Niacinamide 13333735 5192403 13217745 5046319 4771169 7371497 7371497 7371497 7553654 7379765 7293102 4005738 11217415 7604824 5205998 5217224 4056439 4110229 7797781 3956132 3796726 11471859 13409392 3379105 7289251 11070152 5957102 14353970 7458380 7913417 7309179 N-lauroylglycine NAGly 12:0 10684 58032 11605 7378 46384 20383 20383 20383 20066 19358 20648 5644 9849 11861 5174 8547 6271 4327 32228 100727 8641 5420 19309 10062 6447 50290 8717 47451 9300 30082 7764 N-methylproline N-Methyl-proline 9737 11909 9132 16046 10136 21515 21515 21515 21956 22226 20639 24172 15118 58422 49051 30706 21965 34352 69592 17779 52790 15433 9820 10554 16086 17178 8494 12288 9470 13246 15329 NMMA Targinine 55319 85740 66041 98165 79799 83607 83607 83607 80604 82650 80296 70847 71913 106437 90691 103998 91582 96360 184385 64848 78673 98127 43561 56329 77498 96421 55216 74935 52049 80908 106736 ornithine Ornithine 31324 66473 40391 65320 67786 52530 52530 52530 53531 51027 51028 53483 49320 77439 66746 48124 29435 68419 75678 38806 87920 65272 29925 47550 54843 64481 34533 42102 39843 54826 64748 pantothenate Pantothenic acid 1587056 1895144 1933155 1777406 1374058 1724628 1724628 1724628 1703098 1682535 1773181 1146071 1318925 1908601 1635721 1247509 1409502 1575687 1485618 1413858 2057119 1896758 1140055 1393259 1712243 1791522 1524758 2149506 1496149 1707851 2238472 pantothenol Pantothenol 2556351 1338917 1763567 917909 1787802 1457698 1457698 1457698 1397288 1434514 1430697 1208954 2157685 1361401 1216712 1229312 445716 812079 1133285 1461964 1527155 664848 1242015 1400572 936499 1529564 2397997 2739000 2460919 1807571 1233366 phenylacetylglycine Phenylacetylglycine 2657101 2060438 3633227 2463352 2217583 3568012 3568012 3568012 3608885 3524098 3504887 3332769 1563900 7468044 3656985 4426398 3275330 4345076 7517357 3992015 4130272 3041959 3515329 4636760 2850721 3010955 3558650 3056051 2239374 2523577 5091375 phenylalanine Phenylalanine 144802194 153805715 132301903 194970479 137753463 164126064 164126064 164126064 163373744 164688465 163513178 117652853 126406390 206999073 168388936 172100587 141359694 151570143 347042511 120097950 170253866 176737098 120972818 133494294 165426209 202841368 120082241 194869582 132424354 131850593 196869590 phenylalanine-d8 Phenylalanine 661617 674989 667477 712526 834772 753622 753622 753622 739669 750301 747315 726715 754505 912271 812550 758633 634223 677691 872146 738257 788643 710231 695260 716888 738132 808834 699267 767819 689270 740026 671692 phosphocholine Choline phosphate 650861460 1102060924 673948865 1081718697 942954573 1027903139 1027903139 1027903139 1014159315 1035651098 1023055276 864108772 634155961 1252100913 1179386315 802567245 816484174 1204666956 1359526087 990076720 1114994513 1460580905 670963244 1012696964 1189238236 1285036861 743513957 908392381 845687212 788972897 1628386574 phytosphingosine Phytosphingosine 328303 257565 246333 441524 263147 405110 405110 405110 396255 395197 399253 241834 311749 247441 388674 496659 330842 344202 474623 387919 518904 381495 385263 481409 436558 343390 487293 556940 342588 251574 554050 pipecolate Pipecolic acid 42955 52059 37931 54892 42931 52350 52350 52350 53369 52297 51290 53880 33275 83914 55262 62286 57377 44561 97904 50337 61143 63701 31407 47108 59397 53305 35953 59770 35383 44206 46713 progesterone Progesterone 76916 24261 34757 34063 9016 288652 288652 288652 256985 283773 253246 106178 588174 86296 55376 1355108 1056196 48571 2881824 11152 34717 99199 142398 103530 271687 106646 16719 163935 80072 30322 133978 pro-gly Pro-Gly 851 1120 688 993 765 1035 1035 1035 1115 867 1025 591 689 489 1023 767 773 652 2511 1237 915 1033 878 625 787 1125 812 1479 1234 920 1204 proline Proline 3038211 2985297 2394404 4526989 2616024 3331854 3331854 3331854 3321479 3262534 3306767 2214847 2219164 3837670 3485934 3430888 2915584 3129932 6168255 2712726 3766047 3337565 2240637 3005348 3385078 3877278 2289220 3887842 2526756 3262354 3634601 proline-betaine Proline betaine 532663 962918 576390 930970 862422 937231 937231 937231 970557 921880 917997 761252 802700 1314613 1280701 848056 532966 1340124 1362835 1001449 830894 1086015 514341 853896 703947 1313933 588265 931227 835991 1047498 1391861 pterin Pterin 4358 8768 5775 11131 3913 8101 8101 8101 8926 8205 7947 6638 6839 10155 7013 4557 3135 4728 7900 4320 3525 8468 5056 6398 7788 8197 5532 8157 6302 5195 13149 putrescine Putrescine 125139 144951 96408 122192 120885 212916 212916 212916 211977 208838 211463 148288 117972 154273 201155 415577 445672 116429 719529 159219 134833 146693 94150 136166 144536 148687 141415 231415 138120 143472 175183 S-adenosylhomocysteine S-Adenosylhomocysteine 775061 491671 578378 514139 389721 634831 634831 634831 638926 679052 638646 468022 564338 622471 609942 899228 763139 383435 1385181 396248 542899 747162 589197 400112 524387 661802 396619 914223 435096 559647 573836 S-adenosylmethionine S-Adenosylmethionine 183189 216458 190763 285419 190899 249070 249070 249070 251816 252349 251117 241455 150319 299163 299116 306488 257326 201521 521260 218850 304416 284706 197574 202938 253534 274222 198162 288209 188826 219000 303538 SDMA Symmetric dimethylarginine 5479708 8831256 6284094 7392382 7877740 7538941 7538941 7538941 7399097 7399638 7638188 6811575 4813033 11629375 8249660 8589278 6062595 8167504 13721647 6471304 9369579 10064004 4226091 5575456 7705058 9376179 5183774 7351909 4931550 6474362 8884257 serine Serine 54576 58379 54986 70713 59319 68899 68899 68899 69162 71140 66765 64536 66550 78657 76333 98912 74570 64505 137252 63614 61320 66570 47595 64438 69747 72907 50508 64072 54324 72316 71357 serotonin Serotonin 53878 446684 411857 326505 436546 332151 332151 332151 333512 326510 326900 244848 169553 718410 243255 184045 207606 342633 393687 259697 280468 385490 134142 344203 405632 432981 182567 129836 222954 454729 462603 S-methyl-L-cysteine-S-oxide S-Methylcysteine S-oxide 19246 17459 20316 16229 18200 20022 20022 20022 19337 18950 18596 24355 17565 18519 19235 22251 20994 20459 19984 16578 21214 21154 20029 19187 21803 16739 15335 17282 15538 16422 21414 sphinganine Sphinganine 178289 162075 200823 249131 156334 236579 236579 236579 227522 243599 234139 170412 163983 244751 178183 393093 293032 178432 493135 236474 346681 223435 222782 170745 209988 205242 257548 227577 185388 152708 248806 sphingosine Sphingosine 2227095 1882610 1374546 3069647 1471452 2423074 2423074 2423074 2398562 2444726 2325374 1315094 1468682 1950419 2062658 4420493 2487711 1742816 5357722 2240111 4425101 1924552 2063288 1675328 1963750 2249363 2268048 3387275 1536705 1367120 2086469 sulfamethoxazole Sulfamethoxazole 1895187 32208 2220481 1464240 225506 1397978 1397978 1397978 1612791 1455426 1237938 1625458 844907 159294 996477 1097400 4870252 288507 2232342 1827596 277838 2803973 1330005 1505078 1199405 304666 1170234 66446 1437207 483803 2158201 taurine Taurine 23646378 27511375 24952384 29940553 25288571 26134919 26134919 26134919 26296202 25854839 26022172 23659467 21359170 30274512 26511448 17791692 14829758 26766127 22694910 23667853 29133923 30337246 24437281 26277103 28092713 29909277 21669119 28831415 23992761 24347230 33028763 thiamine Thiamine 135663 229798 158189 268497 184091 263999 263999 263999 260180 259749 258758 136526 287272 322269 278882 206125 349194 315419 1082069 203189 259171 326677 125703 222867 249119 296955 110524 138773 138727 201873 276412 threonine Threonine 111550 94634 102274 118161 100733 113234 113234 113234 115933 114581 112980 84053 87919 114414 122238 165178 134462 105814 217393 113613 109172 109845 87808 98901 105055 107810 94789 109616 102194 115620 106819 trigonelline Trigonelline 215250 424294 210503 432820 332388 305723 305723 305723 310287 307325 310165 222516 242273 253969 309417 295656 202730 355291 347970 264899 269295 302287 226403 310599 276970 395316 214257 324108 295992 371928 412015 trimethylamine-N-oxide Trimethylamine N-oxide 76873 100256 46053 104161 98296 65589 65589 65589 67850 63259 64749 51919 10909 26471 78923 19038 9848 26936 44490 15699 70382 86667 52541 69683 76649 107374 47693 88142 70088 102586 127618 tryptophan Tryptophan 32916812 44761671 39251470 45193493 43830204 44334912 44334912 44334912 43852958 43135043 43474177 35224057 35006272 53262662 42685338 49099991 52515804 44906123 91760247 44495160 49318417 45723125 32335096 39109191 43268683 44586696 32972537 40394757 33836515 40982555 50342545 tyrosine Tyrosine 30787208 31901770 31168786 41781338 34089531 36556527 36556527 36556527 36308934 36168384 36105606 25631825 25179939 46692108 36330750 41238024 24964954 33955403 72803878 26239654 41869510 38910814 28135712 31593149 34792423 43131518 28330697 42953274 29639444 33254017 49676141 urate Uric acid 34060 34971 35075 67698 48969 38653 38653 38653 40199 38259 39505 61030 25796 54413 43694 28754 23349 28361 56338 26367 26591 34072 19301 35064 34706 56689 26169 41968 34908 43250 85400 urocanate Urocanic acid 115078 99248 114648 87647 75815 96846 96846 96846 95583 97063 99413 240847 206527 99930 84261 97261 75036 105603 121099 125905 67311 61545 72669 118566 81614 119603 91936 87947 75070 86086 45523 valine Valine 184966552 194691806 184334971 244364275 189813497 225014507 225014507 225014507 224167624 226179463 225642997 156702795 134317758 305381645 226308170 252875667 231882739 212557929 508077295 177950482 260213399 243670092 157623161 160521980 220076236 248704030 169093087 256712153 159566299 180788862 259854761 valine-d8 Valine 410798 406272 397572 439645 502937 453839 453839 453839 453385 457675 450948 446596 454771 528388 485256 462331 396762 406622 487411 463235 484979 428668 424767 437119 443359 462718 423150 477463 422759 460312 395740 warfarin Warfarin 1493 5114651 13096 17279 3168514 549365 549365 549365 550860 519421 559578 5669 6347 6803 5142 1596 3629 2224 13310 4002 1510 2590 6801 6433 3760300 25448 3591593 14995 14115 589 xanthine Xanthine 623170 281824 732827 508526 314293 418491 418491 418491 421620 418916 412096 275009 1271413 299876 310102 246069 233715 204641 373091 166221 258555 430730 552662 201983 292289 406954 336268 801059 375793 467860 627427 xanthosine Xanthosine 2041438 1588618 2386910 2719635 1737425 2025310 2025310 2025310 2121770 2016457 2028768 2347772 3152807 1360663 1965757 2630743 2081458 1322583 2785031 1025032 1346833 1469111 1461843 1879392 1494998 2551180 2154424 2230505 1844070 1388619 3225607