Metabolite_name RefMet_name S00020439 S00020440 S00020445 S00020447 S00020448 S00020449 S00020450 S00020451 S00020452 S00020427 S00020428 S00020430 S00020431 S00020433 S00020434 S00020436 S00020442 S00020429 S00020432 S00020435 S00020437 S00020438 S00020441 S00020443 S00020444 S00020446 S00020453 S00020454 Factors - Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:MID-FA Subject group:MID-FA Subject group:MID-FA Subject group:MID-FA Subject group:MID-FA Subject group:MID-FA Subject group:MID-FA Subject group:MID-FA Subject group:MID-FA Subject group:N/A Subject group:N/A 16:0 LYSO PC (M+H)+ LPC 16:0 377573 340384 1028752 708015 911063 469525 256854 553493 493963 638492 463835 40055 478721 392160 223722 113972 867596 247349 213176 472757 458074 631905 890451 1268449 352759 1234428 1758003 1200570 16:0 LYSO PC (M+Na)+ LPC 16:0 191458 266744 387120 271363 351809 245391 223148 211398 222641 239745 293190 240785 199268 228934 196158 109220 492626 245565 102245 199805 335276 296195 318006 291478 334550 332523 407829 300186 18:0 LYSO-PE (M+H)+ LPE 18:0 414294 1063529 637156 247860 821899 356925 201457 383126 281397 281752 391923 367177 403781 520574 170891 661195 342628 433039 211419 494992 320202 698568 761238 403028 368166 562345 502642 18:0 LYSO-PE (M+Na)+ LPE 18:0 86799 357814 212625 42107 187507 103985 79457 64175 64432 57457 122444 16886 76868 89763 182389 65651 207976 128417 58782 150104 69729 203351 109558 145203 60883 106695 75721 3^_5^-CYCLIC AMP (M+H)+ 3',5' cyclic AMP 25611 16416 52588 48523 64216 35778 20322 49948 12870 64134 42769 16541 68442 21286 34817 14684 19387 50912 10859 17449 40727 127065 61235 103389 43869 54040 85224 66181 3-DEHYDROXYCARNITINE (M+H)+ 3-Dehydroxycarnitine 718153 826068 293150 1252808 1036736 980312 1285882 757956 832197 887762 649246 902348 978749 695287 859939 1019552 735650 879462 702304 583384 987966 824129 560270 706559 1258252 1131740 941174 3-HYDROXYLAUROYLCARNITINE (*) (M+H)+ CAR 12:0;OH 127125 4192192 32279 25792 42495 16225 47405 47305 96087 115791 217607 124798 160945 110479 79015 28246 46579 215610 11425 118628 146893 21213 150503 323739 148976 42363 73676 69758 3-METHYLHISTAMINE (M+H)+ 3-Methylhistamine 3414 15120 9862 11475 6992 7786 18524 10283 7624 13874 19392 5492 5770 4372 7266 3532 12539 12362 13739 11330 1951 6600 5ALPHA-ANDROSTANE-3ALPHA_17BETA-DIOL (M+Na)+ 3alpha-Androstanediol 17974 18523 22707 17342 17273 18306 21426 15347 17672 25041 15812 20764 15829 18505 17311 21517 18089 19553 18785 19556 20489 18555 17298 19530 20096 17249 16056 5-AMINOPENTANOIC ACID (M+H)+ 5-Aminopentanoic acid 1610542 1609414 298479 1958249 1422166 1761039 2283470 1768526 1153602 1632759 712470 1516443 938148 1195933 1063084 1453833 170681 1334598 1123745 1225325 1788304 1359587 435761 958987 196766 269497 2146173 5^-METHYLTHIOADENOSINE (M+H)+ 5'-Methylthioadenosine 154243 142730 467951 283949 284160 124231 95666 248178 299190 200909 259335 53675 161312 126470 99844 91070 165105 131705 78655 117480 165602 168615 178322 285803 122761 397258 479438 635597 ACETYLCARNITINE (M+H)+ CAR 2:0 42057628 15516213 36762176 26712024 25764724 16106693 12725607 16922886 33173688 31717232 33619292 7371462 27816360 28765618 20430180 7568633 30743594 43063032 10526508 30179884 23599088 14494248 45346292 63878520 39319976 22076894 22971266 23259282 ADIPIC ACID (M+Na)+ Adipic acid 46126 28229 35853 45067 3788 43453 33028 67660 23465 23934 29295 17986 48078 21944 40624 AZELAIC ACID (M+Na)+ Azelaic acid 255359 130761 288193 102394 113351 191901 172019 127343 118799 131558 92483 109131 91707 113506 97153 81028 202785 145494 390173 101753 152823 109261 149989 198565 80050 133795 96846 128952 BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+ Anserine 7809 8766 8077 5769 14771 6207 14217 6152 5159 6608 5856 11927 11738 8554 10392 15025 4252 4305 6717 11840 5823 4849 6450 11575 9334 9377 9951 8377 BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+Na)+ bis(2-Ethylhexyl)phthalic acid 57460 2012598 1380369 30366 1590283 501674 151385 92687 53645 170889 1063826 60802 74081 971567 702662 426058 499152 147364 117381 1787215 111499 299627 60448 898699 35380 155772 CARNITINE (M+H)+ Carnitine 1581505 4308523 2505205 3844450 4238778 14525441 16637796 10304796 1944481 3590512 1301663 2106037 1824818 1894516 1653181 1243003 1905081 2177685 1154254 236925 1912762 2931923 2962959 1569467 1124143 25641166 1786823 CARNOSINE (M+H)+ Carnosine 168727 208193 192332 129380 522972 155335 415561 365034 154450 113821 120048 195636 179925 235449 321638 431493 111663 83689 156096 106071 110577 120249 118833 118645 134123 140436 262657 249161 CARNOSINE (M+Na)+ Carnosine 77708 122089 73515 56490 108905 84741 131683 139250 99445 49261 48412 76572 77687 82145 80595 115847 67365 30259 47920 56019 57441 89406 57759 86274 60840 97559 79554 65861 CHOLESTEROL (M+H)+[-H2O] Cholesterol 526980 255520 263666 476764 273225 379678 421672 465816 613673 483513 332592 428733 327594 632518 301565 450945 304499 274246 537884 492541 346332 355898 306217 217345 367914 365707 181635 354357 CITRULLINE (M+Na)+ Citrulline 3749 3535 3233 6434 3749 5094 4553 2524 4662 2151 6240 1365 3117 3214 1138 1463 2498 2832 4318 CORTISOL (M+Na)+ Cortisol 7081 10167 15553 16730 5162 13131 4587 5948 11431 16893 3446 8713 8650 30535 10142 23716 22845 15858 5850 13118 12089 CREATINE (M+H)+ Creatine 37577052 43147520 38190940 12034478 46302352 43885616 42787640 24309836 51548840 43174300 30423492 45881900 42578828 45041448 40133024 47094504 41576648 39560228 44102752 45158384 46648928 51932352 18327220 40648644 14675757 17012512 38458212 DESMOSTEROL (M+H)+[-H2O] Desmosterol 7543 7885 5572 11951 3612 2692 1998 2447 3782 5118 4873 4772 7450 7742 2853 7468 4596 32714 7696 15806 13831 DIPALMITOYL-GLYCEROL (M+H)+[-H2O] DG 16:0_16:0 48741 157332 38558 61556 58422 63810 57265 63367 65827 78492 46396 16381 39159 97101 55263 70844 100906 43346 41585 30570 52470 51382 94905 110891 77435 58101 69885 56091 DIPALMITOYL-GLYCEROL (M+Na)+ DG 16:0_16:0 470704 1194450 247138 350108 291249 621319 213927 241427 561985 313009 368130 425232 329608 574275 586858 237653 529271 580153 368719 244174 486525 460776 206316 368621 466089 266872 291825 181261 DODECENOYLCARNITINE (*) II M+ CAR 12:1 54913 344296 132478 18851 103063 12398 66885 26889 47676 116626 250886 94335 206174 102793 264490 35841 101780 155529 130567 87845 84693 84123 410003 91742 172199 347724 152960 EICOSADIENOYLCARNITINE (*) (M+H)+ CAR 20:2 13173 13594 23637 33941 16913 33786 54637 67162 88387 47930 206638 27438 25438 72603 42708 36568 63949 24494 58393 88172 21814 5753 22228 EICOSANOYLCARNITINE (*) (M+H)+ CAR 20:0 42711 246617 67093 28041 62719 48882 36440 9084 92954 84336 19126 146550 77418 215356 72084 87840 66180 85147 156110 25159 61529 88417 144806 24810 93730 57525 FLUCYTOSINE (M+H)+ Flucytosine 469031 297461 447140 451845 428579 334967 377435 520158 552395 403348 304260 539515 383016 611527 516873 647812 252797 151046 693357 437222 377804 391578 GLUTATHIONE OXIDIZED (M+H2)+2 Glutathione 2444511 1588260 3791072 6740895 3745472 1594510 2816641 3477753 6770917 3230329 1528949 669713 2998319 3069239 1758119 1375405 1266047 3156993 2233371 4483571 2509240 1814939 1455616 2518972 1558487 6398140 6459726 9429889 GLYCEROL MYRISTATE (M+Na)+ MG 14:0 41050 57265 23672 24117 14740 38634 47561 19452 34616 28473 29790 58007 14490 207673 48112 47969 35136 53362 80166 43932 35965 16632 14356 57325 15275 13459 12992 GUANINE (M+H)+ Guanine 12994 112686 52145 18939 40020 59392 6925 12207 56318 15027 24312 14386 69107 4694 9997 6641 40388 3181 17579 70734 2572 63164 3737 20530 12160 6825 GUANOSINE (M+H)+ Guanosine 30579 64466 13547 1213 5986 4709 14522 14938 12912 5345 123827 1887 5938 5851 20611 19335 52224 6188 10127 12730 10743 HEXANOYLCARNITINE (*) M+ CAR 6:0 989227 2746537 1995206 438012 879689 362089 1083945 482323 4051818 1751730 8707490 539482 2114852 985695 2193549 267882 748087 1754328 530830 2516666 981395 1202510 1854930 13271910 1486327 1296153 1540984 6405909 HISTAMINE (M+H)+ Histamine 220188 226434 552959 341344 301044 421352 354981 267433 236590 246793 315037 52387 377266 124478 182401 127073 132512 135387 101435 228301 120890 443884 209241 347179 260774 295899 226310 343780 HISTAMINE (M+Na)+ Histamine 2228 5363 12108 5934 3565 9719 8113 4901 4327 5421 5884 4983 2510 2707 1624 16725 2764 4949 12571 4312 7711 5981 5061 6431 HYPOXANTHINE (M+H)+ Hypoxanthine 7194281 8676402 380391 303789 312282 3495115 718548 752168 923353 2519095 6195815 1376638 2785950 3830672 1525273 3078387 9597810 1557661 4011225 2282556 2411698 7522917 5040473 11858617 3485579 547057 211971 895501 INOSINE 5^-PHOSPHATE (M+H)+ IMP 5472366 7600109 64788 41246 3220592 377065 566445 76181 5701102 5597433 4286499 5110467 5263031 3269400 5338352 5798775 5927570 7446653 5526720 5599612 4963434 7391514 5799495 5943963 81947 INOSINE 5^-PHOSPHATE (M+Na)+ IMP 147154 172489 88349 21709 3587 108457 110250 62676 114497 165140 61832 101078 134293 107585 152775 108440 124862 109650 164524 141704 137477 5779 INOSINE (M+Na)+ Inosine 639303 559500 105051 39598 18048 22160 52009 111333 235954 176948 296218 483841 214089 350919 223783 427709 329164 216045 392458 204104 276409 105064 167219 26778 243543 86421 23685 58218 ISO-BUTYRYLCARNITINE (*) (M+H)+ CAR 3:0;2Me 2715136 5632404 2291453 797489 2053452 730736 678661 1265411 5621034 1925412 4270726 298369 2787284 1611907 1944741 359755 1397015 1950971 471215 1744137 708284 1312672 2290277 11458399 2303810 474861 1811597 4124863 ISOVALERYLCARNITINE (*) (M+H)+ CAR 4:0;3Me 4326396 102069 285829 85557 3985908 568217 55834 121651 119734 254012 172074 47852 216111 120111 78095 253463 89856 191507 235541 101930 383471 3334360 185591 243445 66467 1145428 233664 2277299 KYNURENINE (M+H)+ Kynurenine 145447 248755 156891 233901 197250 135695 189680 81991 265436 258296 33047 214832 178827 138272 90187 153714 77615 100970 201579 286773 395601 251290 297453 281102 LEUCINE (M+H)+ Leucine 26351892 28401684 28589636 27354532 27890740 25518980 23746948 32979194 8296484 21883876 26636874 5744017 22749828 17148024 15375347 10241820 21797012 18418800 14521191 13478555 17955900 28604648 28239860 36289700 13816421 29257266 27769404 32496544 L-HISTIDINE (M+H)+ Histidine 18027 26710 31169 23124 51108 13321 33301 37721 24446 25328 16900 46402 14636 30447 19451 46092 30611 27419 40144 29721 20314 29746 17646 13459 26748 21501 28844 33514 L-HISTIDINE (M+Na)+ Histidine 11220 7129 7669 5182 5862 6544 6191 8700 7776 3565 6199 7135 6186 8933 5493 5962 5405 4324 7318 6829 8836 5956 6811 4987 6426 10875 7311 L-TRYPTOPHAN-15N2 [ISTD] (M+H)+ Tryptophan 24448700 24555724 24187904 18870944 23650826 22443388 23964890 20065426 21494440 29354932 23041016 28297004 23147692 24941624 25310432 25754452 22604762 24372316 25114066 25735492 27201400 26255592 24829808 23056826 24171468 20920078 21848672 21576168 LYSINE (M+H)+ Lysine 60894 62574 135454 50221 109192 60138 73006 51655 66829 95939 97913 49755 64086 72549 53522 84853 83593 61701 42054 79267 73953 54778 158924 108550 74657 116866 135698 105558 METHIONINE (M+H)+ Methionine 1366731 2282011 1881593 1694180 1957895 1914524 2403870 2456542 1623725 2066983 584726 1836445 1519350 1537743 920537 1607823 1049112 1189658 1567224 1975522 1401396 1802534 1050269 2487916 2521733 2664700 N-ACETYL-DL-SERINE (M+H)+[-H2O] N-Acetylserine 815872 787142 624542 384704 1606745 365553 222524 1005352 675370 612925 322881 538091 286285 286239 506469 426278 379291 469793 41535 560477 760086 978731 284372 1587790 992148 1123413 NAD (M+H)+ NAD 82575 216081 240807 275612 89010 189834 165707 192910 211408 161317 22201 154505 105162 113405 102683 44829 168571 64640 210502 211636 47077 108801 147633 106311 142408 468912 299390 N-ALPHA-ACETYL-L-LYSINE (M+H)+ N(2)-Acetyllysine 7553 7396 11697 8973 13831 9983 8925 4139 8430 10479 7061 6395 7009 7685 7096 11686 8854 7516 26210 11882 NAPROXEN (M+H)+ Naproxen 2704 77573 187993 N-CYCLOHEXYLFORMAMIDE (M+H)+ N-Cyclohexylformamide 190597 160134 99795 304241 67011 208656 82288 170678 85413 218952 82869 250307 169730 229684 161068 133715 172063 12046 187053 90825 408784 105865 266927 109107 497455 221628 29426 NICOTINAMIDE (M+H)+ Niacinamide 15539725 19625622 15770273 10156662 13491713 15467696 10409429 17548344 7860190 15419790 16801748 3409896 17890342 13880393 12387533 5840180 19989392 12438040 10722918 8976185 9774386 21228928 21732708 27087922 10222708 19503262 14627372 14557518 NORADRENALINE (M+H)+[-H2O] Xi-Norepinephrine 5196 2443 4557 15355 9971 8533 3939 6680 7326 5963 5092 1527 2221 6414 6284 8768 3632 13670 6850 OCTENOYLCARNITINE (*) M+ CAR 8:1 396111 470892 471940 287984 897908 316753 209342 421755 448967 309623 347821 150093 495834 361478 221761 100194 178402 326548 263736 203556 330552 571506 307348 1263420 561885 447003 683018 1125937 OLEAMIDE (M+H)+ Oleamide 51408 197277 95255 41766 89854 67913 158664 37322 45311 67472 83167 79450 50470 83286 65347 79940 79619 125827 205990 58646 93289 50664 80106 42349 78760 49791 60712 42189 OLEAMIDE (M+Na)+ Oleamide 315851 277174 OLEOYL-GLYCEROL (M+H)+ MG 18:1 9245 51881 43258 5714 17279 29521 16572 13837 14252 5859 17830 7886 20590 13791 15023 10990 29805 2897 16198 17126 21572 17534 21789 14950 6055 18283 4912 OLEOYL-GLYCEROL (M+Na)+ MG 18:1 87148 1576929 844767 32509 361811 598614 189198 80557 109571 44545 333020 394393 99827 140346 336460 280088 625510 285566 327239 31291 345532 159666 347748 159376 330086 58857 159176 43381 OPHTHALMIC ACID (M+H)+ Ophthalmic acid 163433 147010 273472 157291 424211 109449 122874 189951 152418 158310 183578 70055 151107 120045 129882 107910 177797 231058 131753 196213 92493 242171 168774 232472 136391 107922 381124 311567 PANTOTHENIC ACID (M+H)+ Pantothenic acid 1174933 2853044 2376701 1481816 3092228 1626289 2458678 3610076 1115279 1459013 2071165 279473 1475974 1766198 1220332 741993 1655565 1889502 344245 2738408 2616267 2010221 2431281 4151277 1120994 1878837 4884682 2158374 PHENYLALANINE (M+H)+ Phenylalanine 431930 418762 367447 356626 403032 371995 378945 483331 301847 345425 540574 220949 332577 662507 287355 330789 344789 276307 360016 398696 318022 376884 599156 183225 322013 442628 414376 585621 PHOSPHOCREATINE (M+H)+ Phosphocreatine 105097 2087846 652399 5679761 220731 850438 1512251 3324063 557861 476385 116579 502722 549728 311293 1011677 248999 326240 86788 738757 286564 486352 98572 376579 812363 4549859 3629903 PROLINE (M+H)+ Proline 1905897 1911919 1082541 2488369 811595 1837501 2490137 2275260 1302720 1311546 2084261 1380782 1992840 1516324 1002147 1091476 1841252 1356562 2708513 960595 1505870 2606419 1569612 538518 1327168 533130 731694 2165055 PROPIONYLCARNITINE (*) (M+H)+ CAR 3:0 1649299 1855429 2601275 820667 2100031 1951362 895425 835496 1458202 2273021 2275812 254074 1643165 2228697 634669 686947 1400215 863612 749429 1170581 1342136 2672087 2758072 1342430 862016 1643929 2815590 1466879 S-ADENOSYL-L-HOMOCYSTEINE (M+H)+ S-Adenosylhomocysteine 23724 20413 29104 25315 16959 26316 16828 22216 67502 17425 21998 13558 9419 7123 17126 49831 12742 17398 154733 39078 56663 44794 SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+ sn-Glycero-3-phosphocholine 143611 1538824 324914 448231 563816 564321 1547213 439474 1343996 669640 567664 840603 430855 662604 800323 346150 567130 1496126 332862 176655 374234 624041 351978 317275 299192 605304 688262 SUBERIC ACID (M+Na)+ Suberic acid 84411 44983 91041 26253 31446 66087 42434 28352 39797 35339 28487 20784 27814 26942 14413 56324 35099 21320 23499 50947 30512 58966 79042 29988 30308 22775 34272 TETRADECENOYLCARNITINE (*) M+ CAR 14:1 542720 1482081 392564 457804 455869 297712 264556 643254 151583 1079137 1834702 260389 1699455 1443992 2374287 304421 728493 1866069 485589 769676 868038 328998 1092551 4040318 774174 610124 2198322 981222 THEOBROMINE (M+H)+ Theobromine 35134 100559 217525 852610 73978 87234 1080478 306257 419903 515163 236931 246774 45007 51798 648665 186932 38635 377497 230940 2524836 374520 114976 429500 530946 TRIMETHYLAMINE (M+H)+ Trimethylamine 36912 28831 6107 38120 26780 12139 20953 24041 27351 35160 17627 27403 34409 27001 18917 20073 42263 2261 25374 29398 15919 40686 24351 45546 9908 33909 TYROSINE (M+H)+ Tyrosine 2115793 2634864 2201425 1782606 2831460 2285843 2401682 2795923 2482475 2616983 2493618 526539 2483754 2257339 1202942 1118189 1992362 1377243 1299838 1436347 2439077 2548647 3028395 2660364 1478202 4215405 2571728 4130539 VALINE (M+H)+ Valine 2946133 3103367 3159995 3610121 3554902 2813687 2652982 4225495 3079473 2597623 2935188 716055 2720351 1861141 2003276 1519792 2635248 2377693 1902365 1656159 2139516 3539230 2916685 3764019 1528237 3680174 3181934 4239915 ZEATIN [ISTD] (M+H)+ trans-Zeatin 2569903 2610584 2468118 2261835 2463077 2444600 2536484 2279746 2461397 2595866 2320442 2654876 2432074 2552207 2614100 2476932 2571879 2502244 2768758 2512950 2608461 2554422 2524624 2352654 2653286 2367629 2299040 2451129