metabolite_name Serum_El15644_14 Serum_El15644_21 Serum_El15644_22 Serum_El15644_23 Serum_El15644_7 Serum_El2243_12 Serum_El2243_13 Serum_El2243_24 Serum_El2243_25 Serum_El2243_4 Serum_El2243_5 Serum_ElAB12n2_18 Serum_ElAB12n2_28 Serum_ElAB12n2_29 Serum_ElAB12n2_30 Serum_GF_1 Serum_GF_2 Serum_GF_26 Serum_GF_27 Serum_GF_3 (2/3)-amino(iso)butyric acid 9194730 9326008 9339754 7023272 9145611 8781226 10622649 9334401 9103031 10692208 10728340 7736002 12659189 11590950 13209859 11649077 10241471 12349441 10850915 8398739 CAR 4:0;OH,Me 10179036 9005270 7534117 8246668 8795895 9322474 7167321 8489157 11057521 9405996 9065720 9680772 9180059 10704307 8139860 10187970 9065719 9209898 6845159 9340264 CAR 4:0 335828544 425286048 382553216 371487520 519499744 339271904 422667968 384725248 522353216 583700544 633939328 416063328 427995264 470083232 486641920 449598848 350278720 552674816 460615328 400955488 PC 18:3/18:3 415294 635270 671071 387290 713678 693637 621309 797409 576192 839115 595229 631005 659381 495965 664346 632008 423995 506273 329328 802190 1,2-Diarachidonoyl-sn-glycero-3-phosphocholine 5923433 6129376 5751416 6134962 7695956 6820438 7504407 5807232 7294854 7231502 6621682 6520669 6631388 6166904 6637537 5866870 5480104 5268574 3756362 6621830 1,2-Dilinoleoyl-sn-glycero-3-phosphocholine 112099568 120300104 114388816 116377456 125179352 110235632 125522240 122123944 101435440 133570000 126210224 116224984 96272280 99822208 111161432 104085936 104115048 114359160 102696984 106811736 PC 16:1/16:1 2924380 2974804 3218798 3291418 3550923 3577598 3490094 3671280 3427656 3466845 3074308 2925174 3244241 3233658 2584705 2790476 2940728 2702980 2876671 3312986 PC 18:1/18:1 218205008 197164656 177806976 238990848 216349680 204120896 189600240 181325136 205372864 213786400 220583504 189408368 177887168 199876832 181644176 228433840 236322848 195574496 222510064 183695424 LPC P-16:0 or LPC O-16:1 6740315 6327168 6150842 6582290 8190906 6543956 7484228 6592599 7998139 7652384 7861504 6459999 5574088 5741449 6865961 6406359 5484225 6502715 5060216 6303967 PC O-18:1/22:6 2836553 2778474 2614876 2874321 2808373 2905654 2702387 2468825 3155756 3069740 2739148 2810399 2305947 2394178 2468939 2827719 2777711 2613748 2033596 2587011 PC O-18:1/20:4 4836230 5022674 4095095 4889182 5407562 5176102 4972394 4370997 4807459 5335558 5430014 4844992 3757128 3851434 4184790 5102028 5173042 4371584 4121388 4807382 LPC P-18:0 or LPC O-18:1 1143842 943586 909332 1073943 1174355 971143 1098520 1031435 1246284 1102923 1208030 975563 892470 961595 1027603 866238 652117 960238 842849 900456 1-Arachidoyl-2-hydroxy-sn-glycero-3-phosphocholine 39690232 33625524 36405896 45536748 35554448 40820440 35797480 37997936 51038864 34336640 38886568 39874480 40211836 43384144 42343408 36580008 30068180 35881272 19894168 35789560 1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine 5759244 5477862 5356655 6586538 5339585 5799892 4907166 5724600 7044276 5868406 6829738 5138181 5532481 6232811 5808834 5576114 4982138 5227167 4411891 5050552 1-Heptadecanoyl-sn-glycero-3-phosphocholine 32177116 32833776 34845780 35283320 34725068 34771544 31968672 36402280 44775292 31928074 35992928 35294768 33404886 35462764 35069200 34332836 31666998 32769340 27205820 31619696 1-Hexadecyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine 5505140 5376648 4416882 5344704 6332486 4982320 5126102 4397800 4702084 5949516 5930566 4862836 3522218 3704661 3855666 5268858 5330618 4390850 4495258 4554280 1-Hexadecyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphocholine 1367668 1204405 1179252 1359043 1511440 1271160 1183027 1175730 1305179 1400911 1462541 1348782 1137352 1330289 1168841 1424762 1581092 1027565 1320787 1274395 LPC O-16:0 49701424 32370051 34662335 34032828 43321636 33864852 49102422 29971846 47899729 50397516 58755450 34386578 25109058 25088806 31550090 39541731 25053444 34550352 24856049 33488539 1-Lignoceroyl-2-hydroxy-sn-glycero-3-phosphocholine 4159519 4093020 3804631 5313054 4018506 3765476 3483649 3959797 4857390 4268802 5784353 3212351 3348958 4106957 3410578 4178240 3966438 4136560 3759554 3534597 1-Methyladenosine 9531761 7717244 8403198 7670677 8579697 7137397 7733722 9005791 10973605 8433417 8199063 9205424 11281279 10508803 10653918 7583004 7216896 7668764 6357988 7337097 Methylguanidine 5772230 4408816 5019203 6047450 14767958 10207446 12728553 5285577 6416431 11170914 10233125 6199216 8187875 8984429 9594139 10494718 10501313 8895624 4980906 9368450 1-Methylguanosine 1449865 1378102 1845860 1529653 1105329 1340794 1300753 1835355 1874565 1167921 1321540 1508860 2151830 1981088 2470956 1444041 1388966 1308567 1492979 1300925 1-Methylhistamine 56543604 30252156 29134352 22119018 48656196 31812764 40826332 38034152 35061340 40328576 40658424 43537724 88667456 61916432 70954432 33255444 32175228 29791198 17977794 29940316 1-Methyl nicotinamide 29122856 33194604 21154034 18051782 31435140 22850650 32487596 22969384 26294252 28832832 41545764 49278500 21725954 33711564 25115308 40527192 40190252 29309048 24553610 34799208 1-Myristoyl-sn-glycero-3-phosphocholine 22340618 20265190 21873106 22864506 28627910 22370420 27175506 23835072 26960512 23512098 26105854 18391094 20030294 19788552 19802562 22371662 17518030 20429418 24407464 21821534 1-O-Hexadecyl-2-O-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glyceryl-3-phosphorylcholine 5845545 5601468 4741126 5972070 6228693 5374266 5667768 4882870 6029927 6281604 6128022 5717302 4666278 4592895 4939290 5497244 5791753 4817480 4742096 5381360 1-O-Hexadecyl-2-O-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glyceryl-3-phosphorylcholine 3327481 3177406 2628264 3309638 3738836 3705746 3454445 2762184 3129317 4185352 3600138 3171062 2214492 2393654 2621262 3076008 3122627 3163705 2352679 2906032 1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine 4074772 4471464 4840612 4617982 4723224 5234462 4931772 5259598 4238102 4625705 4171769 4215490 4403684 4549530 4206950 4633936 4472042 4252344 4088331 4477150 LPC 18:1/0:0 361754112 360067040 382547936 390189312 435971424 391449056 398878272 400135328 385545088 369054784 378232000 380142144 393353600 404214016 390271776 395409344 350907200 367206304 388402432 392416000 LPE 18:1/0:0 12402182 9768482 10297985 11231076 16673794 15964468 17702728 12082431 11291940 15329352 13162384 12088279 12600212 14557430 14655235 16228381 13055377 12161535 9907669 14896932 1-Palmitoyl-2-azelaoylphosphatidylcholine 994116 764272 991612 778218 937815 1192196 1283217 1325312 1557573 1537106 971559 977855 1251881 992494 1164400 1163635 1151186 1030444 832454 1447558 PC 16:0/22:6 165615056 179957536 172474192 187256320 173463824 172987264 182183680 172034384 189168800 174550112 167190400 185509888 183171792 195873200 184074192 145500992 140344048 169139392 115711960 150541344 LPE 16:0/0:0 14358338 13840034 15909891 15884390 16350547 17016280 17842226 17781152 20187514 15590366 14282371 15528807 16833466 19996550 20445968 15745077 12798948 16926148 12749053 15104713 PC 16:0/18:2 439422272 432281824 402935104 479076832 421522848 437978400 452129344 405870368 443531680 456971392 474238464 424744608 415407328 434840800 425431712 434090944 442258336 401722400 375828864 414434432 1-Palmitoyl-2-myristoyl-sn-glycero-3-phosphocholine 1282742 1354701 1467871 1470862 1304437 1672790 1295863 1733916 1425068 1249721 1510586 1272731 1456100 1692645 1813784 1802161 1663812 1545464 1309498 1318652 LPA 16:0/0:0 1742910464 1765852544 1835002624 1863954816 1844821376 1765489024 1875892992 1844301696 2170613760 1855141376 1932546816 1883931776 1884008704 1885457920 1940028800 1808930688 1655173888 1802146560 1502788864 1761646336 1-Pentadecanoyl-sn-glycero-3-phosphocholine 11948595 10643688 17805810 16118046 18542778 13777739 13148730 15741019 19829078 13588321 7118960 13504845 14002689 15356536 11383541 14182171 12158613 9843893 11759675 13518864 1-Stearoyl-2-arachidonyl-sn-glycero-3-phosphocholine 58253644 66481648 58583712 62157924 63931776 62253664 59552468 57936096 52278896 63724016 64198600 54550428 45023712 46782176 50581984 55242680 60688656 61906032 62411160 47724344 LPC 18:0/0:0 1152208000 1041950848 1031929280 1127472384 1114177280 1116931328 1151523712 1048358144 1270200192 1102887808 1200057344 1047695040 1069930176 1074228096 1130762752 1143788032 997919936 1164931328 971795200 1074375552 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine 13926288 13705193 15049812 16018075 14716811 16275273 16929028 16917360 20050646 15446215 17327358 15343852 16060923 18378162 19003914 16322003 13340710 15472986 14069793 13896693 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine 16882472 18305706 22473064 19724584 15795931 37031920 15690621 27194030 16692909 14208831 18564378 19131990 25016136 30804712 33661024 36596428 23081320 24060696 16612266 18524862 15-Hydroperoxy-5Z,8Z,11Z,13E-eicosatetraenoic acid 1334414 1526773 2081775 1551840 4008668 2057843 2559904 2191848 1823213 2694553 2474488 3195966 2101678 1813998 1024974 1848297 2812420 1423560 1427846 2414734 Deoxycytidine 2033608 2304352 1891882 2634184 2134419 2013647 2263524 2100889 2488454 2348356 2199470 2493468 1896358 2480105 2780517 2627478 2530955 1887143 2094504 2718932 Triethanolamine 548552 731607 1095324 1685875 1032817 645418 1258165 45827072 767589 710888 391821 2299315 2845824 26657140 4131348 1397267 538908 1100966 1240138 4609930 2-(5-Oxovaleryl)phosphatidylcholine 489152 433094 344422 322704 403071 432107 487004 522671 414258 625704 369731 361848 476949 309928 472283 265957 328028 551308 264496 564243 2-Aminocaprylic acid 1149484 743064 1065245 636905 1703740 1335815 1490008 1248112 789972 1240741 1420472 1013144 867953 870835 1369060 1716288 1329059 1168908 1064244 1364960 2-Arachidonoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine 413707 575995 910695 634895 368792 1224627 443818 1063045 603035 450067 415959 733960 892967 1046241 1212433 1408537 774101 798453 446569 617355 2-Methylquinolin-8-ol 149304400 83800920 67173304 79411024 101459072 62055596 106760576 74276264 104829520 98868720 122489408 77261912 84336928 57751984 87160720 50031948 48112436 82041560 69364720 64863196 CAR 4:0;3OH 26837700 55720468 48575712 31703202 25051280 26652812 30409012 49296940 60768156 42940100 48786840 53100192 22660398 32989178 24970606 32959914 28443556 25908694 35356752 33519672 CAR 16:0;OH 1077488 1260588 1692377 1201257 1350289 1065575 1568781 1804491 1616865 1261486 1559020 1349139 1649193 1299131 1188456 1202465 1088011 1120961 928233 1163396 3-Methylcrotonylglycine 445993 340543 294995 300311 336017 275094 328101 303386 341325 465785 521328 491404 386039 358832 302126 210761 177335 211422 247357 253261 3-Methylcytidine 481253 306535 393610 377714 474838 284446 378537 372029 508797 398485 459704 334867 466482 398170 481504 424514 378680 409156 273908 312897 3-Methylhistidine 23402752 19319308 20294312 19062840 27217362 20245046 24665178 21436578 21962558 24735990 26577736 22880490 19794252 16145543 20671228 30539594 22799812 21397410 13169139 25426284 Ureidopropionic acid 9431927 8330514 9384331 9789845 6409536 5917110 6996601 10407052 14803567 12096676 11071841 11072396 13531537 11795323 13484463 6931953 7254256 9655616 9496461 9999644 P-Aminobenzoic acid 410574240 307321440 254386768 361950656 517274048 377645888 456288928 284744000 419625856 449523648 390408384 425867776 578025728 587673216 572241536 485611168 423903232 405767232 236801280 377583136 4-Guanidinobutanoic acid 86118448 60181956 55466212 105101336 120713544 93287144 104508384 63017436 123836136 156187552 128438200 91608688 108301352 149089344 114266904 105248112 97247968 105454512 87357736 103373840 4-Hydroxyquinoline 827008 1045734 1179866 1125202 1330617 1182604 1335799 1283939 904707 1055733 752689 1214071 896989 1046890 1131493 1451266 1245464 1212096 959083 1734551 Imidazoleacetic acid 1396730 720116 861735 941846 1444044 902371 1175352 940501 902070 1030695 947373 976920 1213568 1274878 1390942 1360332 1158277 1275858 1350732 1189772 4-Pyridoxic acid 299645 174468 282263 276577 156899 158327 240471 327367 362256 351683 324305 306904 434250 389400 242372 48281 133415 191921 204477 153566 cis-4-Hydroxyproline 4232458 2393421 2290549 2294917 4506666 2844344 3478745 2508086 2518637 3153432 4305228 2659272 4332533 3632722 3776666 2659492 2700648 3192946 1739705 2801706 5'-Methylthioadenosine 3375350 3148586 2906496 3806750 2582001 4233523 4884429 3026411 4536426 4342432 2820208 4975498 4267520 5477914 5408532 4627638 1754362 3543266 3464990 3331550 5,8,11-Eicosatriynoic acid 3932578 4477196 4223493 3272604 6489669 4059338 4645230 3937917 5816024 4181004 5340232 5338236 3955716 3844125 2385414 5554087 5002160 2940164 2709762 5361434 5-Hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acid, 1,5-lactone 18552312 18415276 17825600 12370011 26653838 17334326 20848144 16893258 25629938 19567750 24740906 21466104 17160356 14998112 9480196 17871490 16356333 15493619 12042225 16238169 5-Hydroxyindole 104910 82014 58490 105222 98179 3561323 5281588 60213 59810 61853 68440 79328 72946 69737 70797 70617 51849 66193 119890 51612 5-Methylcytosine 4313402 4536808 3677509 4675888 3944698 3948508 5137071 4057992 4692474 4446740 4755609 4301082 3803311 4190872 4620056 4200462 4393544 4247876 4121012 5049697 5-Methylcytidine 369413 294954 373791 320330 437037 416646 379703 410074 287800 310494 293444 422575 339868 501157 524530 504584 388782 255007 367456 469029 Ribothymidine 1504971 1088845 1204608 2081268 1377737 1320330 1302212 1210470 2116332 1671179 1516359 1885649 2424682 3151358 1411764 3054967 2655967 1711926 1294628 2094830 N6-Methyladenosine 16670 146363 402194 296425 29467 271140 311606 499272 303352 36493 10753 431210 46815 185207 127165 238220 222320 245986 460474 244536 7,8-Dihydrobiopterin 328187 197383 184579 222919 195158 186917 198810 198387 341197 245147 318493 288231 274789 269540 309320 184347 162522 198497 150445 161868 Aminoadipic acid 23891564 15227564 13102127 14084364 18608310 17164400 18089424 14850176 17810772 22397274 27663924 16877324 19566088 17695478 19392226 17800286 15407557 18155292 10359872 18179130 AMP 124279 51914 4627858 1127486 74303 5937927 189461 5485757 339439 13836 123497 3245634 7080924 7379249 6374738 5170919 1055002 2584089 58513 2223459 CAR 2:0 2520813056 2742845184 2641878784 2154128128 2686847232 2146118528 2400377600 2560781824 2656067840 2723599872 2706950912 2519066880 2587434752 2518972160 2536183296 2435128832 2265528320 2376899840 2487074304 2411816960 Acetylcholine 104927 484359 1080316 426328 148412 765481 949691 1007804 1156190 244595 112849 796705 121028 423623 217641 1097623 1097080 761398 588796 1145906 Adenosine 4635522 1591588 16862610 9726102 1012742 10351882 2290906 18041244 5761048 1412606 3908510 11140422 13475344 18715386 15464893 8164142 3923890 15434668 732096 7557178 Alanine 109376048 81725512 103862200 82446864 93965800 95531544 120827792 115134688 96526096 108176120 110300352 94532816 104411976 99097176 101020832 89104696 85741464 114603176 102993944 99008496 Anserine 10288425 8436910 7246426 7561981 8656846 8732454 11197659 8816446 5406798 13338890 9726943 12796814 4530655 5232650 7364409 11918504 15788973 6027236 7751959 9933127 CAR 20:4 2299122 2262846 3111416 2005035 2327181 2421867 2669744 3376148 2201034 2308027 2595884 2489501 2549634 2424725 2958113 2673930 1826032 2120860 1806392 2727375 Arginine 544921024 504330496 386319680 444429952 635590784 526982112 600012800 415956864 456855488 575930240 617461952 505464288 534792704 520619936 566729152 491862752 487519360 554840960 404506528 527712448 Arginine, methyl ester 591073 832259 377654 690592 810496 650726 623973 325396 519583 693936 422466 429403 670948 695521 787380 491901 424654 526567 333148 442946 Argininosuccinic acid 1099470 1258360 1649770 2450151 617267 1480991 1568978 1131598 2087141 1289882 995276 1288845 906370 1129364 747151 1823186 1502380 1626464 1646541 1588216 Asp-Arg 1194095 589188 579978 554687 1114884 929888 871407 635899 650117 954606 1202607 689048 702421 694416 895671 992886 929574 788938 640476 915555 Asp-His 1467491 716240 815216 772072 1176572 736128 828746 934023 795227 892314 1152800 968150 980523 836552 998558 1091539 978329 872835 665271 991687 Asparagine 16996228 12295633 19636422 11227373 19043964 14405160 17847480 21871890 13979669 15936048 22080196 14610648 15942574 14320261 14479230 12717912 13334875 14154266 16281529 14631384 Aspartic acid 3143660 1629650 1621862 1308483 2933524 2014583 2918860 1941095 2240890 2434318 3461838 1867206 2093546 1729258 2334156 1070518 1780935 1597892 1639511 1719926 Betaine 3842067968 3518098176 4085856000 3067222272 3576990720 3605769472 4541755904 4153059072 3488617472 3768160000 3605095424 3562879488 3791560960 3696877056 3862301952 3495824128 3318633472 4073718528 4730524672 3629936640 Betaine aldehyde cation 1704026 1123575 1126255 905020 1497803 1258932 1355248 1096031 1371056 1292982 1090028 1426496 1532038 1436911 1525517 1157879 1155854 1043630 600607 1600613 Biliverdin 104852 194636 330941 181509 144418 152968 146007 295242 333418 161800 113968 179095 143191 174170 166958 167592 139066 143742 182746 204763 Carnitine 890808832 835648000 950402240 746732800 994025472 1084909056 1177473536 967452608 831923648 706518720 751283328 786824832 681769664 814109952 899375488 923045248 880814208 908744000 1180225024 915347968 Carnosine 5418216 5290472 5089882 5035432 5542986 5486896 5568067 5914048 3789651 6448165 4833070 7830174 5612894 4542182 5826760 6933948 9721898 3475381 5623009 5816895 Choline 3325146624 3167474688 3502423296 3258188544 3541913088 3196168192 3515590912 3447923200 3660355840 3299836416 3655140608 3329815040 3316169472 3137159168 3342438656 3081138688 3161377792 3143763456 3192942080 3223213312 Citrulline 138428000 89625328 91843216 95176272 134505616 125789000 148763712 103009952 118094888 135624064 151010464 110151320 132006224 131715304 110459728 122593232 122110384 140307408 90246112 133139144 Creatine 1800200960 1884975872 1946122496 1738162560 1841740928 1912544640 2000184064 2048653312 1985327232 2040639488 1863588736 1969577088 1688478336 1884248448 1847738752 1875688064 1893026688 1857066112 1865423616 1870667776 Creatinine 871093568 765409600 824979392 862601600 1002867200 816418816 922373504 854142272 882624896 856947136 823263360 835257152 754928448 801004928 855814912 965768128 1006178752 954021696 904919104 955829632 Cystathionine 406875 216221 184734 200019 420858 272833 319996 226201 231992 435519 489217 327854 412522 331598 381516 334485 356549 215977 162191 244095 Cysteine-glutathione disulfide 8022424 4980091 5680596 4394419 5992948 6271156 5359562 6376155 6179998 5494902 9379500 6588844 11900783 9029086 8700334 6305890 4804125 6380093 3883064 4622096 Cystine 2312621 1219093 1084354 1043821 1835852 1054112 1006511 1215335 1413489 1002273 1775871 1724530 2673897 1762289 2220187 1483567 846841 1000738 721731 1013761 Cytidine 512720 415914 477776 479934 648763 390003 564338 452736 413056 488290 472897 621227 363144 501257 526727 509162 489336 375445 605323 457179 Cytosine 2312456 1268114 1535309 2054914 7579092 4566047 5936042 1668297 2025750 4847802 3991917 2120390 2917576 2674339 3003494 2699698 3380239 3629953 2882089 2867648 D-erythro-N-stearoylsphingosine 338301 602600 977732 432640 432635 997892 711238 1345500 688459 353980 374597 677053 850953 766073 1498346 659792 716243 978542 638279 493151 Sphinganine 1-phosphate 3519196 2915130 2888160 3173975 3401260 3524114 4266373 3091266 4081675 3184012 3618514 2909153 3663767 3762075 4146436 2992036 2388930 3700147 2897553 2605630 Sphingosine 1-phosphate 6175120 5683734 5492396 5591418 6493996 5895514 7003538 6410458 6905255 5869724 6091574 5722872 6535946 6335701 7628284 5440960 4657652 6385440 4887536 5263558 3-Dehydroxycarnitine 125666492 120722056 123570352 102094489 99436050 104817868 114103641 127084454 96878658 91849887 94224884 107722592 98945139 87197373 105526507 119031130 187851200 113800018 162904056 133382060 Normetanephrine 2050396 1540505 1683397 1331268 2564462 1395007 1699308 2184097 1612494 1872765 2559913 1434051 1875452 1232856 1580239 1394655 1309391 1760496 1292030 1675596 CAR 10:0 1717693 2339035 3074472 1769126 1569432 1787154 2118252 3078224 1973380 1794258 1704612 3071228 2059199 2477650 2663618 1465284 1554602 1365350 2949251 1459053 Epigallocatechin 804537 507916 570044 488504 586394 592607 541144 581745 495254 1112792 1354114 419354 966130 904259 672330 515700 557449 726795 411722 395621 Ergothioneine 153220384 74053432 108568872 90377512 88333080 179576816 103205528 112587760 122936136 97858880 102989472 174293632 51705920 53176224 44616756 214577712 152725024 122214872 78981264 173987008 Ethanolamine 9822051 7163144 10173629 5383731 9541307 6628967 7918630 11586236 8309432 9002793 10707559 7414960 9982567 9560613 8406651 6893747 7420678 7661562 9882388 8001688 Glu-Arg 2363956 1491602 1151994 1654609 3459462 1993005 2509929 1297609 1546975 3133440 3631862 1416149 2085135 1623454 2402372 1854287 1552024 2071569 1018795 1670692 Glu-Thr 1658916 804859 756606 778579 1783557 1196346 1234119 951979 912869 1380644 2084223 804830 1351188 1027832 1303136 1081946 1172551 1061892 446286 1210233 Glucose 6-phosphate 390198 310237 229157 228159 391917 144709 330285 241156 274460 371848 350861 232717 177526 156596 211702 144480 305363 193797 204477 240863 Glutamic acid 88304848 57535252 89102752 50404164 96078832 100213168 86795480 101788768 95316136 86044952 98799496 85941872 87769456 88693984 93513280 88015632 91075088 82476680 67655536 96286192 Glutamine 378219840 303609824 256633904 280929984 335002176 286227584 313482432 270811488 315182944 342726048 347084896 272537184 342969984 323360736 320390112 254015984 229577728 332986592 256822736 265369536 Glutathione 7509074 4204501 4513956 3511397 5872861 5279827 4256091 4857253 3717090 8786703 10251277 3575501 8902744 7540063 5403352 3968467 4417306 5804662 3300734 3266190 Gly-Val 206167 182058 377217 245495 269688 415557 451612 416997 679873 293766 614630 384839 468858 210911 311115 350681 340599 287191 168495 444858 Guanidoacetic acid 17700350 15265559 13061993 9997653 17217690 20002932 18066750 14539523 15699374 18459870 15391576 14244455 14866994 21079828 15454268 14977592 10997032 19007156 24637626 13360537 Guanidinosuccinic acid 1221382 1194550 1000071 1204270 1125862 742730 844904 1243911 1262953 918631 1369863 1124148 991660 1098935 722519 1193796 970964 1827723 458652 941874 Guanine 680310 391184 533080 516369 457342 465215 444804 617768 608791 509088 633845 475631 935568 617497 745515 554076 447929 533750 599012 565398 GMP 106275 23305 375564 307817 29649 560594 95557 381409 130065 0 41164 656119 1023657 771479 1016613 437709 138736 426315 0 315007 H-gamma-glutamyl-glutamine 5246892 3546517 2790715 4985204 4908110 2948333 4819965 3117227 3448709 4469778 4756872 2863566 5551961 3630168 5418056 2622792 1696245 4584476 3120477 3135966 Hemin cation 123245136 106845192 118480544 95930552 104756784 141840784 113063808 137506528 81405632 122174976 65338272 139758960 134545216 163071344 143681312 152902304 139235264 123524024 89896288 131089176 CAR 6:0 36862828 56136660 57743916 51522280 48676032 35004588 47335720 59635088 67682144 96482496 105415840 54255932 51585292 57897660 70840352 36610248 35899016 69303760 51536004 39847408 Hexanoylglycine 1128123 1334120 1406453 1332264 1484273 1074868 959216 1466348 1843508 1791628 1803859 2716332 1240369 1517557 1432723 687484 703533 1211242 1076428 711752 Histamine 59090884 29240914 26629138 17472666 19917156 31193756 16356961 30271966 13408417 30327040 23795268 28494090 21611410 29629568 39950408 22441764 29211698 21079916 19645522 28594860 Histidine 119008712 73482776 95532496 71371992 116924856 83969056 108008176 111191560 90463648 122344632 136653312 83195904 106666480 94845512 102411504 78546560 75301176 101660696 99093056 87827232 Homoarginine 821390 759579 497691 567406 1087843 511783 764203 624458 554240 912224 1026879 495866 768442 648608 855462 502701 517967 915370 703834 601444 Hypoxanthine 191672608 280791168 279633344 237299712 154289536 206097296 216427184 304359040 428539008 158794880 256521376 194993600 342303712 257630608 241148736 305841984 283229888 366741536 152326608 399326976 1H-Indole-3-acetamide 157624 139128 158556 130627 218918 138021 144027 146631 85431 153511 133360 160275 225185 117518 160607 181713 145220 129766 89181 201754 1H-Indole-3-carboxaldehyde 1243287 1473138 1752100 2049854 2218831 1619142 1951164 1626215 2241350 1982397 1568958 2714928 2207222 1964996 1262158 1675282 1647528 1853147 1227195 2160126 Inosine 1532293 1815141 2984020 2543108 707660 1688980 1740872 2889243 3788751 763714 2210018 1524746 3010043 3301204 2998856 2550831 1629320 4064435 572465 2468880 Isoleucine 191655776 84500408 110643312 78917096 178877440 114264544 132034200 126938272 106560832 136661072 169449184 129957792 182055712 137420704 134818160 137432784 128719480 127481336 93659272 150015728 CAR 4:0;3Me 41190600 34691060 38324888 32916960 39838752 37826532 54076528 40973700 43638468 59322936 69993064 36242064 43999952 43223712 56284548 43197368 40173412 40944040 48471548 47380096 Kynurenic acid 1900414 2713316 5555986 2942429 3078736 2923694 3228646 6129306 5415352 4790294 4669886 2149073 3354727 1975585 2860245 2347464 2348508 3224635 2985379 3203066 Kynurenine 415320 356182 401475 347995 637793 394277 413900 383961 348576 475381 518715 336027 289430 250673 341696 451465 354916 376128 257163 415448 Leucine, methyl ester 1216119 959498 1227501 1304819 3779580 1815332 2164394 1349106 1142391 3964264 2062154 1800267 1675424 1658998 1763828 1573847 1633779 1372396 1248204 1244057 CAR 18:2 11078702 13205139 14252553 11141556 11309007 11189863 12123819 14730365 11666400 10291231 10713058 15632036 13979550 14648645 15106327 10521632 9448050 8961099 11219533 11969423 Lysine 549515648 331004448 313247968 232870608 520295488 280900448 414700512 360232832 278992576 407977792 550993792 340176064 470768192 361386272 442385056 328949056 334936064 404727840 184611568 391476416 CAR DC3:0 3327031 4130409 5477306 3581483 3338651 5286375 4188152 5191630 4832052 4047028 3603782 4385410 4512446 5651725 4828471 4807600 4726016 3933344 4392800 4443889 2-Amino-2-deoxy-D-mannose 11291103 7037139 5597580 6929440 8722016 6492426 7101231 6402374 7771635 10750261 12250027 7191534 9652617 7877830 8815534 6118756 4934670 7615764 5887342 5790466 L-Metanephrine 1006038 957556 1285889 703321 996114 960052 660265 1237804 1110292 888164 1272970 1059530 858668 562304 792339 1370753 1208434 1947989 749924 1370230 Methacholine 99235776 89144488 90177704 78762616 126890616 117635248 156259984 94784744 99841296 125638752 128136432 94026112 61075140 62823920 75211064 56102840 52340688 95235176 103401936 57402392 Methionine 93752392 47702684 47655364 43445472 100671216 62539564 99992264 59123728 61664656 74622688 88428024 63239288 84334216 77312248 72951352 64820456 62897364 74425248 41517352 69413104 Methionine sulfoxide 8256536 5396052 4555680 5890018 18258032 14917855 22445034 5007481 5575446 17514132 17212854 5877774 9388764 9161868 8981082 10027841 9838552 9234582 5933941 9886322 CAR 14:0 7736436 8411641 10769623 7957967 7870220 7171418 9603891 11255156 8519765 7644322 8624798 9937930 9806171 9302679 10092586 6717474 5528561 6948558 9269538 6903816 N,N-Diethyl-2-aminoethanol 4578420 4575554 7454533 4829142 6041076 5953986 8105212 7882880 7115097 6201664 7147348 6710832 6132604 5365796 7073080 4450120 5854011 5589964 3738492 5851796 Dimethylarginine 46563156 46194460 59132884 58075984 46835384 59324780 71560704 67012100 65422588 56349840 58657896 63608724 65847464 71428616 47130140 65034124 49781808 67882104 51017968 62834112 SM 18:1;O2/18:0 3070740 2948390 2149226 3574312 2669503 2848160 2309972 2403290 3147981 2445764 4029030 2086677 1813470 2253856 2357413 3062880 2880402 2673516 2158522 2252983 N-Acetylserotonin 386900 329667 352818 317331 362151 148014 348327 282162 379409 345007 309255 299856 362551 180578 295119 190020 160803 305337 230343 250114 N-Acetylcarnosine 1375022 652414 757125 656572 2123041 1422330 1648750 907243 931976 1393575 1744992 1229021 816906 779809 630083 951752 907132 745072 486043 1025892 N-Acetyl-leucine (double check) 528629 281235 377869 344035 345288 338036 482669 394205 431995 494867 433136 499441 527031 459707 461107 461216 425228 461395 378075 466691 N-Acetylhistidine 20038314 13670283 15195623 15452711 14176657 16275327 25605704 15317879 17201030 26570500 25255692 15457896 21026588 19809266 15330946 26383090 22706846 28439350 15867201 18655186 N-Acetylmethionine 328389 325462 345905 348281 354502 261509 450513 334353 477802 412742 353173 497981 461556 462649 429741 351934 342603 521715 291571 391475 N-Acetylphenylalanine 388071 277448 411010 237237 329015 271951 386777 378769 284415 370332 335225 351723 348303 306246 345416 429938 327998 404145 636573 435884 N-Acetyl-tryptophan 7851356 5830016 10603870 5637834 5089764 5823531 6254682 11028719 9767372 7156122 7163846 10440394 4199825 3844286 5471266 11595770 9216751 6724224 8394868 12699499 SM 18:1;O2/22:0 3004082 2221652 1727244 5447021 2102532 2844848 1371591 1841473 3080224 2248926 1895324 2461256 1485280 2213812 2236780 3245849 2389622 1883456 929526 1382738 N-Methylhistidine 22911964 23099592 23704444 27035172 20278896 27554766 34805036 28727262 32717768 26704180 23630392 34442124 20212672 25410080 21593780 36166008 26055170 31248748 18238928 35493892 N-Methylisoleucine 391212 548723 733457 521035 1056960 1069416 1040298 785452 585965 785066 887460 597015 1689999 1203228 1577064 1585858 1035687 750584 721878 1195510 N(6)-Methyllysine 1702565 1352501 1230765 1048550 1889250 1194496 1628641 1315927 1240154 1778619 1893222 1118976 2025287 1877634 2103141 1372976 1277873 1424644 1151339 1184495 N-Methyl-proline 4291386 2815176 2462387 3316997 11836999 10128558 11570490 2568992 3679794 11214929 12270204 3775218 3842133 3842126 3046871 7196622 5101968 3751968 1558913 6022238 N-Methyl-valine 364436608 181429328 230827968 154868208 332155328 241071952 298595936 247640816 230244256 282007744 327425344 259244688 355977216 263553824 286636000 280720896 244211008 283567520 205449264 274587584 N-Oleoyl-D-erythro-sphingosylphosphorylcholine 2536241 2528770 1977503 2943000 2311196 1910908 1930778 2044447 2831221 2156188 3352520 1754283 1654666 1936694 1847165 1960962 2028942 2522888 2070261 1838372 Pelargonidin 5151265 3248842 3381152 3780874 5638572 4838162 5683253 3388188 3222056 4787474 5620506 4008523 3801861 3087070 3045711 5703724 4816204 4595656 4137688 5378350 N-Acetylornithine 58360128 28458942 23565668 23770768 62755248 37421340 53361824 30025750 30024710 49502948 70814776 30781174 53633192 37593868 41016836 35578768 31028926 45289408 18746776 35697760 N6-Acetyllysine 11304539 7281822 6860646 7059541 15805841 14792472 18706532 7057136 7150168 14160884 17059024 7847505 12486824 9661476 10075938 12217676 9956491 10470489 8575734 10318309 N-Acetylglutamine 846685 499428 478435 685997 1486815 1065172 1367184 575130 588542 1191053 1120606 623354 1280317 1069229 1470748 981838 1157359 1467305 958466 1043622 N5-(1-Iminoethyl)-ornithine 2602086 1239349 1816130 2007488 3227554 1420911 1823286 1973660 975061 1638825 3014902 1215130 1450241 1105063 2684271 1393460 870756 746583 2445957 925360 N(6),N(6)-Dimethyl-lysine 27897946 27496022 29029768 31823420 29024652 39706024 50165196 34267220 41287836 38630752 33857008 37546360 28790086 37409528 36933764 46357396 36930868 45268080 33696768 41384176 N6-(1-Iminoethyl)-lysine 47983388 37172796 31689222 53202572 44427816 32144968 42160220 37181424 21890390 28700220 44938032 38435480 39327872 33454704 66983992 23303994 17189378 17883662 51902468 17867760 N8-Acetylspermidine 15882233 10138468 11512189 7771472 7589578 5864992 8270646 13199289 13215137 11936615 17605640 12868028 20294148 15547980 22918670 8311464 6753032 12810273 9365196 9481668 N(2)-Acetyllysine 13532852 8057578 9262097 9056619 12223711 13134831 16305344 11204197 12466949 14925347 15053651 11050475 9240145 10774518 8041734 14793749 12139282 12664824 8386940 14247633 N-6-Trimethyllysine 64307684 73317680 92972376 85321688 79125072 150759216 90305968 112554456 75640120 98032936 74421760 104401184 103513080 116799760 122416904 218928192 147689440 111440384 60790568 163372800 N(6)-Methyllysine1 34874872 25449960 23420032 25041830 44981612 30071356 42949904 27773154 29753398 44851684 47792064 24177678 44659236 40752284 48339108 32787546 25678056 32237816 25231302 27006224 Niacinamide 196307040 218543392 262868192 176476128 212361968 262332960 230721456 270671776 206627152 207681824 238151984 331455520 256333936 311080832 278246272 282052352 249074848 236108784 186569344 263053088 Nicotinamide N-oxide 2655371 1207134 760955 659034 6991441 1033212 1003874 657763 705446 2869845 6500071 1613264 1766802 1197538 1813784 2765616 1710332 643131 290938 1367494 Nicotinamide riboside 1932367 1707631 1801912 1868484 1588288 1829986 1955990 2077241 2292027 1739671 1947371 2169398 1998066 2264224 2128521 2248412 2021153 1954701 1623792 1999470 Nicotinic acid 148427 209075 196958 227091 183251 248587 315181 229525 173225 383313 171794 214036 168525 192462 196719 337891 336568 510336 358548 226933 Ophthalmic acid 927286 738468 1016498 784476 895973 761861 594413 1194643 845589 1588826 1649062 550416 777617 871670 590570 681067 690843 774803 1023985 766403 CAR 8:0 1143525 1479277 1749731 918292 1176675 989332 1473304 2014038 1422045 1747611 1786443 1645685 1451712 1621292 1769461 819988 1063032 1187565 1723541 1261452 CAR 18:1 14890598 19917722 21007996 16607058 17319826 14878559 16020592 22637132 17510006 14465261 15712803 21233678 19155896 20037320 21593716 14183162 12865799 12784259 15482270 16916104 Ornithine 78054232 30846566 55326956 25661010 76677392 40523192 47794848 63744644 32582776 57426056 86623040 31184144 55830304 46119584 59828060 50764172 37672744 48294500 27056988 51269532 SM 18:1;O2/16:0 65106640 62234196 47241504 67075096 61939736 54316500 58554044 50394380 68356984 60308636 89117584 44886624 41674352 49510536 50463228 58308224 58319612 62131528 55298784 50479276 CAR 16:0 20891686 23324102 31391252 23205824 22522360 23176792 24769672 34687412 26800094 19817726 24044724 24680954 30674580 27231992 30256676 23722398 16603489 23998226 20743668 21891304 Palmitoyleicosapentaenoyl phosphatidylcholine 23359178 23342042 20815240 23753194 25235504 23133144 24704660 22430458 19961936 28228892 22222700 24133624 22664896 22893704 24308170 24665060 24047900 19215788 19123674 28172756 Pantothenic acid 29776436 29248044 35351268 28208658 17555354 21015702 31460344 37178856 30020120 25394856 20461998 28924286 40433056 35450332 36392384 24953802 22200494 40765324 37284768 27304898 Phencyclidine 2580772 1209476 1434951 751287 952833 1607929 2397667 1033303 1063571 2645008 1451619 992459 4883796 3030075 1498165 910064 1285816 633277 2235680 1082180 Phenylacetylglycine 160748 149583 144297 155412 217849 172550 224557 143346 182188 220124 183578 162401 199959 193921 206461 177017 169126 226377 130442 161410 Phenylalanine 64458428 37465124 50544564 36900844 66070940 45737704 55931464 55733596 47304592 53894980 60835512 53387792 66277508 49537480 58265632 46432756 43752964 51606448 48073636 49216812 Choline phosphate 32386024 22304294 26187211 19849370 26193762 35243812 43013688 29023879 34733388 32194844 31847440 36140276 19322087 27795638 35965266 32663198 39276812 30766480 21472480 36378340 Pipecolic acid 2365415 2097699 2218992 2426825 3408550 3010976 2997306 2323121 2449594 2603160 2812253 2654412 2214974 2101404 2011366 2981575 2657570 2407946 1464127 2720838 Pro-Gly 13443257 7091920 7566034 6569616 14268138 7580681 14166638 8413105 10986239 10418221 25360796 8197522 10927514 7033518 8372528 7910776 5633404 9418341 5411250 7808424 Proline 50686816 43846940 64064376 45265928 59860996 60910416 74819048 65808976 54164664 56105700 60353736 53216376 57264332 55532524 54411588 56598852 56832384 64333888 55720212 64283236 Pro-hydroxyPro 15196310 16218268 21561792 19096216 14497172 17142212 17099850 22093028 22251204 17402350 14900016 21429774 23772148 23355764 20117950 18223766 17105302 19107622 18321986 14655496 CAR 3:0 498451744 326903296 325820256 286137504 384740064 355411776 451450880 334661024 361559008 492375904 532592288 286250464 429458496 367120448 437215584 432316992 355944736 332005152 398232256 430035648 Putrescine 804286 384629 369472 293858 840299 274795 438428 342493 466434 697586 1154778 356201 586863 414010 756837 582436 651481 552541 433579 535587 Pyridoxamine 164657 175877 291539 241821 143956 210801 314081 298261 349697 234178 127878 337576 240381 358773 271456 265794 389818 396103 570437 341230 Riboflavin 422728 356944 499728 294180 384851 294604 320390 496616 338661 320247 313808 322196 445791 391800 563464 378465 344438 292360 448429 346961 S-Adenosylhomocysteine 2388724 281763 360342 476960 632975 490063 960602 459826 330945 813119 930961 661221 1828768 776225 571330 479245 248289 625414 190940 419110 S-Adenosylmethionine 445339 95100 81570 125282 267827 140694 199241 79251 136309 183351 421203 155629 344365 141690 254943 199659 51316 125394 76037 114669 Cysteine-S-sulfate 1962224 824438 4222624 607567 994838 1285891 1415761 4345474 4356350 694444 818929 7374518 1106063 608318 1303000 2850671 1856136 1064220 2884078 4850200 Serotonin 36070196 20185934 15753848 18929300 24289904 14775970 25580410 17334430 25099426 23498912 29790154 18840394 20148646 13900139 20931470 11620013 11163485 19544926 16504099 15432657 sn-Glycero-3-phosphocholine 1440206336 1237735296 1170712064 1376856064 1497655424 1360499840 1531914752 1291123072 1260931712 1223300480 1524890496 1270605184 1084519680 1224172160 1323720960 1309929984 1208428928 1082792320 1263135232 1250511488 Sphinganine 610108 839559 1357295 742807 609353 1948637 1011698 1867301 1011148 567797 550599 1046767 1426446 1410743 2364160 1249914 939757 1494121 756528 768643 Sarcosine 3410408 2142298 2634818 2234305 2507643 3725410 4413683 2885694 2486884 3262076 3441130 2856838 2801751 2740505 2377100 3030010 2479478 2764832 2516588 2645747 Serine 19539900 15819269 20365784 12974255 22612194 18815442 23354528 21050014 17449022 19471160 22745774 16764654 18053122 17508310 18693430 21550896 19927600 18169950 17660320 22676216 Spermidine 8064076 5733896 5653917 5839541 5520801 7435450 6457654 5635102 7040920 8266047 12510600 7627740 7904464 8488894 7517901 3696550 5522172 4816897 5272169 4848671 Sucrose 2809627 943013 620138 636080 2184238 1147738 1137624 813543 606239 1663870 2596089 678254 1801638 1062894 1563512 960431 963947 1608050 802938 1390773 Taurine 45713552 38504840 37685472 29879670 46063420 44288756 43483328 39392896 35028604 40184372 44748172 41076496 36860516 38536076 43054848 40455128 39453640 35095460 34191404 39810276 Taurocholic acid 237825 1557281 23021796 498263 892727 845409 539721 23964032 178204 835666 510908 535696 6310676 688165 3110898 175896 235280 624504 37788400 443297 Thiamine 1816242 1628341 2138248 802158 577790 962772 809928 2130104 4596184 3346430 2999946 1550116 3984574 3461793 1050552 2601619 5184654 9036335 493652 5332946 Thiazolidine-4-carboxylic acid 139139 85323 204568 161581 196673 174153 149688 223095 441169 153484 153812 275904 239191 308585 346755 220912 302360 53483 28935 169521 Thr-Glu 189485 80050 156125 153321 117541 191615 207641 176118 175946 215325 229928 121655 315927 212167 220106 184807 33505 185010 77727 104845 Threonine 75638464 49661404 43896444 41262744 81398136 60310820 80660064 52087836 53861576 71697600 90849784 56295352 61317976 57033224 59831692 60363628 53108248 63059472 33864708 65130028 Thymine 1380745 1597006 1516868 1514171 1089422 1141236 1484361 1619611 1713207 1511496 1352498 1376688 1694836 1671027 1983812 1214002 1259406 1529659 1670355 1556992 Tryptophan 36968356 29563128 31757140 28467616 46078120 29302646 35949552 36591372 27570580 38144464 43660348 30054266 33758476 27049392 30389310 34014200 31428456 29894588 24296974 42921292 Tyrosine 4422466 3005742 3461181 2991461 4803159 3866322 4755887 3997463 3129346 4662229 5430078 3944939 4524360 3734171 3676242 4521638 4541940 3547821 3696399 4491529 UMP 40640 12089 214441 103215 9011 225889 53254 273295 53037 0 34154 269298 279123 411082 379069 229096 81533 148785 0 188070 Uracil 780057 567013 921499 601541 665638 701589 694424 974022 862909 767108 881007 789666 844549 850841 784019 594326 634887 563864 846574 752660 Urea 611089984 636170752 629644160 648134016 779051968 627728128 670369280 648660928 656039872 689211520 675226816 699952576 583722496 627424640 642618240 731941632 697706048 643398592 571808640 691752576 Uridine 718033 525511 383990 414809 215028 275234 428189 420123 535263 673387 654426 483736 685193 480932 538805 264498 308509 351934 437752 413777 Urocanic acid 12419171 21207352 23847812 10609477 11036005 15172459 16417655 24651766 18795854 17776398 9993776 19496334 12796858 29142838 18253424 12436923 18957128 15689489 20820078 18695376 Valine 51713864 28043214 34252336 23904430 49570792 36259432 42652972 37905716 33170960 41246252 49634788 37720736 46602412 39699928 42075528 41028864 40502020 39567300 33836804 42376480 Xanthine 1403844 1890824 1732715 1478514 1566123 1553078 1628549 1947359 2005049 1821835 1591423 1269877 2737010 2543794 1788543 2439053 2358650 2188738 1390968 2741217 Xanthosine 1200897 859644 880597 876450 761817 644247 785100 976981 1232065 921123 841789 708576 1259206 1167706 1031813 660498 871656 554930 507549 758700 Xanthurenic acid 519418 445488 602649 573610 852268 579883 686169 753397 1264952 653796 684306 315659 406514 419640 541378 368742 396404 559202 486103 479870 alpha-Asp-Lys 2903603 1460416 1501509 1484376 2305346 1539630 1707676 1758988 1689529 1923664 2422909 1716516 1902740 1646371 2007461 1868451 1931972 1880584 1154236 1913303 alpha-Ionone 1647495 346751 504302 463137 335152 269174 248891 620084 466455 131694 98997 654805 4162924 695683 424318 46117 218607 178398 783315 274881 delta(5)-Hydroxylysine 945327 459650 389857 427343 827499 387304 527594 437483 460193 701957 884958 437842 976564 660304 926906 414356 392897 631535 376959 427498 Ectoine 28605416 14813287 16777394 23517636 51676628 38647128 47799148 17290108 18176568 44250816 32762420 19676532 51144316 41785048 48272936 45236568 42570956 41123144 24680218 33060476 gamma-Glu-epsilon-Lys 3094986 1544597 1395062 1511435 3049268 1666216 2227994 1584107 1639917 2994190 3238197 1641127 2679614 1838256 2467772 2083047 2050570 1955351 897609 1852039 gamma-Glutamyltyrosine 576390 392685 476488 469354 854911 473106 635257 497417 454292 848189 960663 448930 569407 438370 461313 577798 571399 505788 454293 563684 Homocitrulline 4615834 4103376 4160302 3019728 6204331 5483289 6167632 4580012 4011699 7020930 6678942 4530578 5658070 4545177 4311582 6840384 6111978 6062832 4530582 5257786 CAR 12:0 2297396 2716674 3528655 2289510 2158524 2138532 2622924 3587392 2606848 2137633 2191594 3294476 2751661 2894868 3287688 2005812 1754655 1784872 3212398 1922764 LPC 16:1 57443684 52404948 63290300 62833316 80856088 63170376 71700200 62928332 64899852 63471564 60733220 59095200 56862612 58155084 52625088 66647508 49507996 56995848 53824904 66238484 LPC 16:2 2638931 2491436 2385344 2787592 4080685 3376018 3584487 2561014 3185829 3329426 3515680 2474077 2069485 2178768 2168749 2277682 1970242 1987655 2258771 2710190 LPC 18:2 1366788992 1287954432 1170348800 1302984192 1464009344 1246945792 1260566144 1208093568 1013248192 1320723968 1304366848 1251615744 1201095936 1265081600 1224545920 1238153600 1210044032 1127773056 1349527040 1298002944 LPC 18:3 19990446 20867174 20932662 21192718 22780768 20567816 20755154 20848150 18030212 20877414 20249770 20508894 19155210 20407736 18419462 17920252 17067426 16079797 20459152 20988594 LPC 19:0 23844288 22359848 24913632 24249176 24423398 22662308 23478314 25902926 28934748 22278344 23194800 24700154 27361184 25529070 25832254 24543060 21157682 22464536 19268816 23553926 LPC 20:1 21302990 20585158 20909182 21824474 27655964 23432598 25207664 22670700 23453880 22741216 23881098 22754932 19451238 19806918 21632710 24730982 19709514 20875430 18602544 24724856 LPC 20:4 318166464 322574336 298926656 247946800 348461792 274020864 298320448 296028352 186905552 298577536 280165696 266686688 237803936 232550736 259005120 239958080 216547408 297028768 356447840 289329088 LPC 20:5 47089200 45724172 37774424 41845396 50825708 43766668 42623848 39597692 27114978 44068616 41847604 39824280 36276692 41123288 40482712 45955732 44210476 37720784 48877444 52929708 LPC 22:1 2005102 1741081 2247781 1419512 1655095 2370767 1607928 3061110 3591666 2685121 1792405 3129028 2404226 2465722 3491475 2986823 1782145 1993130 1193968 2323678 LPC 22:6 366495808 381761600 332576512 329238304 368967808 332524768 330423488 346657984 277478304 329482496 319459904 334310752 359786208 393043456 384572544 265337552 226344144 347031360 305643200 330939296 LPC 24:1 2981773 2640678 2669482 3046305 3092571 2731364 2576521 2610454 3257390 3003666 3528449 2653479 2456358 2678900 2708486 2805002 2506374 2673729 2446735 2740971 LPE 18:2 56003196 37166340 36161296 46926040 63867100 57510172 73166552 41588420 43394864 65165732 53489272 41731984 56134508 63445140 48676600 54988456 54165720 44346340 39668580 53863196 metabolite_name AlignmentID MSI AvgMZ AvgRt INCHIKEY (2/3)-amino(iso)butyric acid 351 2 104.07064 7.751 FUOOLUPWFVMBKG-UHFFFAOYSA-N CAR 4:0;OH,Me 2528 3 262.1647 7.159 IGLHHSKNBDXCEY-SECBINFHSA-N CAR 4:0 2130 3 232.15338 5.69 QWYFHHGCZUCMBN-SECBINFHSA-N PC 18:3/18:3 4541 4 778.54407 4.496 XXKFQTJOJZELMD-JICBSJGISA-N 1,2-Diarachidonoyl-sn-glycero-3-phosphocholine 4639 4 830.56671 4.406 LZLVZIFMYXDKCN-QJWFYWCHSA-N 1,2-Dilinoleoyl-sn-glycero-3-phosphocholine 4552 4 782.56708 4.472 FVXDQWZBHIXIEJ-LNDKUQBDSA-N PC 16:1/16:1 4467 4 730.53668 4.616 GPWHCUUIQMGELX-VHQDNGOZSA-N PC 18:1/18:1 4561 4 786.59778 4.519 SNKAWJBJQDLSFF-NVKMUCNASA-N LPC P-16:0 or LPC O-16:1 3973 4 480.34384 5.39 HTZINLFNXLXRBC-CQLBIITFSA-N PC O-18:1/22:6 4626 4 818.60303 4.342 TXHZYNSTTCIWMJ-RXSQUPBGSA-N PC O-18:1/20:4 4586 4 794.60144 4.382 FHHVIBPVBBRLOR-IYACIECVSA-N LPC P-18:0 or LPC O-18:1 4054 4 508.37433 5.331 WBOMIOWRFSPZMC-AYICAFKVSA-N 1-Arachidoyl-2-hydroxy-sn-glycero-3-phosphocholine 4184 4 552.40027 5.428 UATOAILWGVYRQS-HHHXNRCGSA-N 1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine 4251 4 580.43036 5.383 UIINDYGXBHJQHX-GDLZYMKVSA-N 1-Heptadecanoyl-sn-glycero-3-phosphocholine 4061 4 510.35278 5.514 SRRQPVVYXBTRQK-XMMPIXPASA-N 1-Hexadecyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine 4524 4 768.58759 4.432 DUUSFCFZBREELS-LXDDVLOTSA-N 1-Hexadecyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphocholine 4528 4 770.59338 4.465 VYKSGWCIVDQIQR-GBDFTIALSA-N LPC O-16:0 3983 4 482.36572 5.611 VLBPIWYTPAXCFJ-XMMPIXPASA-N 1-Lignoceroyl-2-hydroxy-sn-glycero-3-phosphocholine 4310 4 608.46271 5.346 SKJMUADLQLZAGH-WJOKGBTCSA-N 1-Methyladenosine 2758 2 282.11902 7.369 GFYLSDSUCHVORB-IOSLPCCCSA-N Methylguanidine 80 1 74.07163 5.635 CHJJGSNFBQVOTG-UHFFFAOYSA-N 1-Methylguanosine 2947 1 298.11429 5.724 UTAIYTHAJQNQDW-KQYNXXCUSA-N 1-Methylhistamine 645 3 126.10233 7.325 FHQDWPCFSJMNCT-UHFFFAOYSA-N 1-Methyl nicotinamide 815 1 137.07071 6.169 LDHMAVIPBRSVRG-UHFFFAOYSA-O 1-Myristoyl-sn-glycero-3-phosphocholine 3928 4 468.30585 5.623 VXUOFDJKYGDUJI-OAQYLSRUSA-N 1-O-Hexadecyl-2-O-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glyceryl-3-phosphorylcholine 4581 4 792.58746 4.398 QQQQNYAHSSIZBU-HIQXTUQZSA-N 1-O-Hexadecyl-2-O-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glyceryl-3-phosphorylcholine 4519 4 766.57178 4.363 YHSSHPWVFALMBA-IARQOZKNSA-N 1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine 4471 4 732.55042 4.607 KIVAJCJTVPWSRJ-OQHNRNOKSA-N LPC 18:1/0:0 4098 4 522.35297 5.503 YAMUFBLWGFFICM-PTGWMXDISA-N LPE 18:1/0:0 3972 4 480.30716 5.75 PYVRVRFVLRNJLY-MZMPXXGTSA-N 1-Palmitoyl-2-azelaoylphosphatidylcholine 4386 4 666.43268 5.241 GHQQYDSARXURNG-SSEXGKCCSA-N PC 16:0/22:6 4607 4 806.56738 4.445 IESVDEZGAHUQJU-ZLBXKVHBSA-N LPE 16:0/0:0 3879 4 454.29193 5.795 YVYMBNSKXOXSKW-HXUWFJFHSA-N PC 16:0/18:2 4508 4 758.56726 4.567 JLPULHDHAOZNQI-ZTIMHPMXSA-N 1-Palmitoyl-2-myristoyl-sn-glycero-3-phosphocholine 4426 4 706.53711 4.653 UIXXHROAQSBBOV-PSXMRANNSA-N LPA 16:0/0:0 4012 4 496.33826 5.551 ASWBNKHCZGQVJV-HSZRJFAPSA-N 1-Pentadecanoyl-sn-glycero-3-phosphocholine 3981 4 482.32874 5.58 RJZVWDTYEWCUAR-JOCHJYFZSA-N 1-Stearoyl-2-arachidonyl-sn-glycero-3-phosphocholine 4612 4 810.59753 4.415 PSVRFUPOQYJOOZ-RYIOQAQXSA-N LPC 18:0/0:0 4105 4 524.36896 5.481 IHNKQIMGVNPMTC-RUZDIDTESA-N 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine 3980 4 482.32242 5.731 BBYWOYAFBUOUFP-JOCHJYFZSA-N 1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine 4473 4 734.56726 4.618 MZWGYEJOZNRLQE-KXQOOQHDSA-N 15-Hydroperoxy-5Z,8Z,11Z,13E-eicosatetraenoic acid 3141 4 319.22617 1.107 BFWYTORDSFIVKP-UDQWCNDOSA-N Deoxycytidine 2059 2 228.09743 5.947 CKTSBUTUHBMZGZ-SHYZEUOFSA-N Triethanolamine 1032 3 150.11208 6.55 GSEJCLTVZPLZKY-UHFFFAOYSA-N 2-(5-Oxovaleryl)phosphatidylcholine 4276 4 594.375 5.15 RKIDALSACBQVTN-HHHXNRCGSA-N 2-Aminocaprylic acid 1179 3 160.13268 6.167 AKVBCGQVQXPRLD-UHFFFAOYSA-N 2-Arachidonoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine 4478 4 740.52075 4.688 DRIVXEVMDWCWLI-CAQMIEAISA-N 2-Methylquinolin-8-ol 1168 3 160.07516 5.849 NBYLBWHHTUWMER-UHFFFAOYSA-N CAR 4:0;3OH 2349 3 248.14865 7.519 UEFRDQSMQXDWTO-YGPZHTELSA-N CAR 16:0;OH 3708 3 416.33557 4.892 XKAZIAFZAQAHHG-BPGUCPLFSA-N 3-Methylcrotonylglycine 1134 2,4 158.08107 2.934 PFWQSHXPNKRLIV-UHFFFAOYSA-N 3-Methylcytidine 2458 1 258.10837 7.059 RDPUKVRQKWBSPK-ZOQUXTDFSA-N 3-Methylhistidine 1302 1 170.09201 9.434 JDHILDINMRGULE-LURJTMIESA-N Ureidopropionic acid 765 2 133.06046 5.3 JSJWCHRYRHKBBW-UHFFFAOYSA-N P-Aminobenzoic acid 822 1,4 138.05463 7.401 ALYNCZNDIQEVRV-UHFFFAOYSA-N 4-Guanidinobutanoic acid 967 4 146.09203 7.535 TUHVEAJXIMEOSA-UHFFFAOYSA-N 4-Hydroxyquinoline 955 1,4 146.05956 1.752 PMZDQRJGMBOQBF-UHFFFAOYSA-N Imidazoleacetic acid 654 2 127.04993 7.923 PRJKNHOMHKJCEJ-UHFFFAOYSA-N 4-Pyridoxic acid 1479 2 184.05952 2.727 HXACOUQIXZGNBF-UHFFFAOYSA-N cis-4-Hydroxyproline 735 1 132.06543 8.236 PMMYEEVYMWASQN-UHFFFAOYSA-N 5'-Methylthioadenosine 2943 1 298.09595 2.569 WUUGFSXJNOTRMR-IOSLPCCCSA-N 5,8,11-Eicosatriynoic acid 2980 4 301.21576 1.05 OWYNLPMPYBYKJP-UHFFFAOYSA-N   5-Hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acid, 1,5-lactone 3002 4 303.23138 1.041 QZMAEYDIHWEEAF-XTDASVJISA-N   5-Hydroxyindole 773 2 134.05971 1.329 LMIQERWZRIFWNZ-UHFFFAOYSA-N 5-Methylcytosine 639 2 126.06593 5.686 LRSASMSXMSNRBT-UHFFFAOYSA-N 5-Methylcytidine 2459 1 258.10892 6.469 ZAYHVCMSTBRABG-JXOAFFINSA-N Ribothymidine 2469 3 259.09216 8.111 DWRXFEITVBNRMK-AZRUVXNYSA-N N6-Methyladenosine 2757 1 282.1189 3.424 VQAYFKKCNSOZKM-IOSLPCCCSA-N 7,8-Dihydrobiopterin 2228 1 240.10715 7.248 FEMXZDUTFRTWPE-UHFFFAOYSA-N Aminoadipic acid 1199 1,4 162.07574 8.406 OYIFNHCXNCRBQI-UHFFFAOYSA-N AMP 3341 1 348.06973 8.978 UDMBCSSLTHHNCD-KQYNXXCUSA-N CAR 2:0 1773 1 204.12238 7.116 RDHQFKQIGNGIED-MRVPVSSYSA-O Acetylcholine 969 2 146.11708 3.018 OIPILFWXSMYKGL-UHFFFAOYSA-N Adenosine 2589 1 268.10345 4.889 OIRDTQYFTABQOQ-KQYNXXCUSA-N Alanine 213 2 90.05508 8.07 QNAYBMKLOCPYGJ-REOHCLBHSA-N Anserine 2237 1 241.12898 9.521 MYYIAHXIVFADCU-QMMMGPOBSA-N CAR 20:4 3859 3 448.34033 3.24 RBFQHRALHSUPIA-JTPUQHSZSA-N Arginine 1384 1 175.1183 9.471 ODKSFYDXXFIFQN-BYPYZUCNSA-N Arginine, methyl ester 1585 3 189.13425 7.988 ZDLDXNCMJBOYJV-YFKPBYRVSA-N Argininosuccinic acid 2858 3 291.12601 9.925 KDZOASGQNOPSCU-WDSKDSINSA-N Asp-Arg 2846 3 290.14502 9.84 PSZNHSNIGMJYOZ-WDSKDSINSA-N Asp-His 2625 3 271.10309 9.845 HSPSXROIMXIJQW-BQBZGAKWSA-N Asparagine 766 1 133.0686 8.726 DCXYFEDJOCDNAF-REOHCLBHSA-N Aspartic acid 772 2 134.04456 9.244 CKLJMWTZIZZHCS-REOHCLBHSA-N Betaine 532 1 118.08592 7.167 KWIUHFFTVRNATP-UHFFFAOYSA-N Betaine aldehyde cation 567 3 120.10168 5.812 SXKNCCSPZDCRFD-UHFFFAOYSA-N Biliverdin 4260 2 583.25507 2.148 RCNSAJSGRJSBKK-NSQVQWHSSA-N Carnitine 1202 1 162.11186 7.72 PHIQHXFUZVPYII-ZCFIWIBFSA-N Carnosine 2049 1 227.11345 9.561 CQOVPNPJLQNMDC-ZETCQYMHSA-N Choline 355 1 104.10686 5.096 OEYIOHPDSNJKLS-UHFFFAOYSA-N Citrulline 1400 1 176.10234 8.803 RHGKLRLOHDJJDR-BYPYZUCNSA-N Creatine 739 1 132.07631 8.052 CVSVTCORWBXHQV-UHFFFAOYSA-N Creatinine 453 1 114.06605 4.815 DDRJAANPRJIHGJ-UHFFFAOYSA-N Cystathionine 1989 1 223.07437 9.874 ILRYLPWNYFXEMH-WHFBIAKZSA-N Cysteine-glutathione disulfide 3738 3 427.09412 10.112 BNRXZEPOHPEEAS-UHFFFAOYSA-N Cystine 2235 1 241.03058 9.931 LEVWYRKDKASIDU-IMJSIDKUSA-N Cytidine 2275 1 244.09198 6.868 UHDGCWIWMRVCDJ-XVFCMESISA-N Cytosine 414 1 112.05044 5.787 OPTASPLRGRRNAP-UHFFFAOYSA-N D-erythro-N-stearoylsphingosine 2969 4 300.28873 4.644 WWUZIQQURGPMPG-KRWOKUGFSA-N Sphinganine 1-phosphate 3539 3 382.27048 6.303 YHEDRJPUIRMZMP-ZWKOTPCHSA-N Sphingosine 1-phosphate 3529 3 380.25528 6.275 DUYSYHSSBDVJSM-KRWOKUGFSA-N 3-Dehydroxycarnitine 973 1 146.1172 7.704 JHPNVNIEXXLNTR-UHFFFAOYSA-N Normetanephrine 1248 3 166.08586 6.077 YNYAYWLBAHXHLL-UHFFFAOYSA-N CAR 10:0 3114 3 316.24744 4.24 LZOSYCMHQXPBFU-OAHLLOKOSA-N Epigallocatechin 3028 1 307.08267 10.164 XMOCLSLCDHWDHP-IUODEOHRSA-N Ergothioneine 2088 2 230.09517 7.817 SSISHJJTAXXQAX-ZETCQYMHSA-N Ethanolamine 27 2 62.0604 7.225 HZAXFHJVJLSVMW-UHFFFAOYSA-N Glu-Arg 3008 3 304.16068 9.812 MPZWMIIOPAPAKE-BQBZGAKWSA-N Glu-Thr 2354 2 249.10757 9.358 JSIQVRIXMINMTA-ZDLURKLDSA-N Glucose 6-phosphate 2500 2 261.03659 9.784 NBSCHQHZLSJFNQ-GASJEMHNSA-N Glutamic acid 1003 1 148.05998 8.729 WHUUTDBJXJRKMK-VKHMYHEASA-N Glutamine 986 1 147.07593 8.566 ZDXPYRJPNDTMRX-VKHMYHEASA-N Glutathione 4315 1 613.1582 10.166 YPZRWBKMTBYPTK-BJDJZHNGSA-N Gly-Val 1381 2 175.10718 7.887 STKYPAFSDFAEPH-UHFFFAOYSA-N Guanidoacetic acid 524 2 118.06104 8.177 BPMFZUMJYQTVII-UHFFFAOYSA-N Guanidinosuccinic acid 1397 1 176.06619 8.731 VVHOUVWJCQOYGG-REOHCLBHSA-N Guanine 1053 1 152.05655 5.79 UYTPUPDQBNUYGX-UHFFFAOYSA-N GMP 3431 2 364.06476 9.574 RQFCJASXJCIDSX-UUOKFMHZSA-N H-gamma-glutamyl-glutamine 2684 1 276.11826 9.562 JBFYFLXEJFQWMU-WDSKDSINSA-N Hemin cation 4322 3 616.17499 5.185 GGIDWJQWCUJYRY-RGGAHWMASA-L CAR 6:0 2497 3 260.18494 4.987 VVPRQWTYSNDTEA-LLVKDONJSA-N Hexanoylglycine 1361 3 174.11208 2.256 UPCKIPHSXMXJOX-UHFFFAOYSA-N Histamine 424 1 112.08691 8.264 NTYJJOPFIAHURM-UHFFFAOYSA-N Histidine 1102 1 156.07637 9.442 HNDVDQJCIGZPNO-YFKPBYRVSA-N Homoarginine 1586 1 189.13457 9.365 QUOGESRFPZDMMT-YFKPBYRVSA-N Hypoxanthine 809 1 137.04536 4.868 FDGQSTZJBFJUBT-UHFFFAOYSA-N 1H-Indole-3-acetamide 1377 2 175.08614 1.466 ZOAMBXDOGPRZLP-UHFFFAOYSA-N 1H-Indole-3-carboxaldehyde 958 2 146.05977 1.081 OLNJUISKUQQNIM-UHFFFAOYSA-N Inosine 2596 1 269.08759 6.224 UGQMRVRMYYASKQ-KQYNXXCUSA-N Isoleucine 753 1 132.10162 7.17 AGPKZVBTJJNPAG-WHFBIAKZSA-N CAR 4:0;3Me 2324 3 246.1693 5.302 IGQBPDJNUXPEMT-SNVBAGLBSA-N Kynurenic acid 1590 1 190.04932 6.191 HCZHHEIFKROPDY-UHFFFAOYSA-N Kynurenine 1840 2 209.09122 6.891 YGPSJZOEDVAXAB-QMMMGPOBSA-N Leucine, methyl ester 972 3 146.1172 6.606 QVDXUKJJGUSGLS-ZCFIWIBFSA-N  CAR 18:2 3728 3 424.34091 3.376 MJLXQSQYKZWZCB-DQFWFXSYSA-N Lysine 994 1 147.1123 9.553 KDXKERNSBIXSRK-YFKPBYRVSA-N CAR DC3:0 2346 3 248.1124 8.559 ZGNBLKBZJBJFDG-SSDOTTSWSA-N 2-Amino-2-deoxy-D-mannose 1440 4 180.08624 8.378 FZHXIRIBWMQPQF-KVTDHHQDSA-N L-Metanephrine 1446 3 180.10147 5.437 JWJCTZKFYGDABJ-UHFFFAOYSA-N Methacholine 1178 3 160.1326 6.461 NZWOPGCLSHLLPA-UHFFFAOYSA-N Methionine 1026 1 150.05798 7.398 FFEARJCKVFRZRR-BYPYZUCNSA-N Methionine sulfoxide 1239 1 166.05283 8.546 QEFRNWWLZKMPFJ-YGVKFDHGSA-N CAR 14:0 3492 3 372.30948 3.63 PSHXNVGSVNEJBD-LJQANCHMSA-N N,N-Diethyl-2-aminoethanol 550 3 118.12246 4.747 BFSVOASYOCHEOV-UHFFFAOYSA-N Dimethylarginine 1753 1 203.14966 8.957 NWGZOALPWZDXNG-UHFFFAOYSA-N SM 18:1;O2/18:0 4470 4 731.60297 5.228 LKQLRGMMMAHREN-NWBJSICCSA-N N-Acetylserotonin 1958 2 219.11217 1.437 MVAWJSIDNICKHF-UHFFFAOYSA-N N-Acetylcarnosine 2601 3 269.12534 8.363 BKAYIFDRRZZKNF-VIFPVBQESA-N N-Acetyl-leucine (double check) 1362 2,4 174.11221 2.018 WXNXCEHXYPACJF-ZETCQYMHSA-N N-Acetylhistidine 1675 1 198.08684 8.099 KBOJOGQFRVVWBH-ZETCQYMHSA-N N-Acetylmethionine 1617 2 192.06818 2.993 XUYPXLNMDZIRQH-UHFFFAOYSA-N N-Acetylphenylalanine 1828 2 208.09607 2.416 CBQJSKKFNMDLON-JTQLQIEISA-N N-Acetyl-tryptophan 2330 1 247.10704 2.634 DZTHIGRZJZPRDV-LBPRGKRZSA-N SM 18:1;O2/22:0 4564 4 787.6662 5.183 FJJANLYCZUNFSE-TWKUQIQBSA-N N-Methylhistidine 1303 1 170.09207 9.197 CYZKJBZEIFWZSR-LURJTMIESA-N N-Methylisoleucine 970 1,4 146.1171 6.424 KSPIYJQBLVDRRI-UHFFFAOYSA-N N(6)-Methyllysine 1190 2 161.12808 9.541 PQNASZJZHFPQLE-UHFFFAOYSA-N N-Methyl-proline 706 1 130.08606 7.063 CWLQUGTUXBXTLF-YFKPBYRVSA-N N-Methyl-valine 750 1,4 132.10153 6.987 AKCRVYNORCOYQT-UHFFFAOYSA-N N-Oleoyl-D-erythro-sphingosylphosphorylcholine 4465 4 729.58832 5.223 NBEADXWAAWCCDG-QDDWGVBQSA-N Pelargonidin 1933 3 217.12939 8.07 SNEIUMQYRCDYCH-LURJTMIESA-N N-Acetylornithine 1382 3 175.10727 8.237 JRLGPAXAGHMNOL-LURJTMIESA-N N6-Acetyllysine 1582 2 189.12277 8.075 DTERQYGMUDWYAZ-ZETCQYMHSA-N N-Acetylglutamine 1080 1 154.09697 6 XJWPISBUKWZALE-UHFFFAOYSA-N N5-(1-Iminoethyl)-ornithine 1363 3 174.12332 9.273 UYZFAUAYFLEHRC-LURJTMIESA-N N(6),N(6)-Dimethyl-lysine 1388 1 175.14359 9.193 XXEWFEBMSGLYBY-ZETCQYMHSA-N N6-(1-Iminoethyl)-lysine 1573 3 188.13889 9.19 ONYFNWIHJBLQKE-UHFFFAOYSA-N N8-Acetylspermidine 1574 2 188.17531 8.808 FONIWJIDLJEJTL-UHFFFAOYSA-N N(2)-Acetyllysine 1583 1 189.12294 8.2 VEYYWZRYIYDQJM-ZETCQYMHSA-N N-6-Trimethyllysine 1587 1 189.15921 9.248 MXNRLFUSFKVQSK-QMMMGPOBSA-N N(6)-Methyllysine1 1191 3 161.1281 9.314 PQNASZJZHFPQLE-UHFFFAOYSA-N   Niacinamide 586 1 123.055 1.713 DFPAKSUCGFBDDF-UHFFFAOYSA-N Nicotinamide N-oxide 837 3 139.04979 4.398 USSFUVKEHXDAPM-UHFFFAOYSA-N Nicotinamide riboside 2429 1 255.09703 7.473 JLEBZPBDRKPWTD-TURQNECASA-O Nicotinic acid 592 2 124.03902 3.731 PVNIIMVLHYAWGP-UHFFFAOYSA-N Ophthalmic acid 2845 1 290.13403 8.938 JCMUOFQHZLPHQP-BQBZGAKWSA-N CAR 8:0 2820 3 288.21552 4.589 CXTATJFJDMJMIY-CYBMUJFWSA-N CAR 18:1 3735 3 426.35635 3.283 IPOLTUVFXFHAHI-WHIOSMTNSA-N Ornithine 768 2 133.09683 9.602 AHLPHDHHMVZTML-BYPYZUCNSA-N SM 18:1;O2/16:0 4424 4 703.57294 5.255 RWKUXQNLWDTSLO-GWQJGLRPSA-N CAR 16:0 3628 3 400.34106 3.415 XOMRRQXKHMYMOC-UHFFFAOYSA-N Palmitoyleicosapentaenoyl phosphatidylcholine 4548 4 780.55219 4.488 KLTHQSWIRFFBRI-KOQZQRJKSA-N Pantothenic acid 1972 1 220.11731 3.273 GHOKWGTUZJEAQD-ZETCQYMHSA-N Phencyclidine 2285 3 244.19009 1.35 JTJMJGYZQZDUJJ-UHFFFAOYSA-N Phenylacetylglycine 1637 2 194.08052 2.607 UTYVDVLMYQPLQB-UHFFFAOYSA-N Phenylalanine 1246 1 166.08575 6.858 COLNVLDHVKWLRT-QMMMGPOBSA-N Choline phosphate 1489 1 184.07291 9.293 YHHSONZFOIEMCP-UHFFFAOYSA-N Pipecolic acid 701 1 130.08583 7.739 HXEACLLIILLPRG-UHFFFAOYSA-N Pro-Gly 1343 3 173.09169 8.243 RNKSNIBMTUYWSH-YFKPBYRVSA-N Proline 497 1 116.07052 7.739 ONIBWKKTOPOVIA-BYPYZUCNSA-N Pro-hydroxyPro 2074 1 229.11775 8.552 ONPXCLZMBSJLSP-CSMHCCOUSA-N CAR 3:0 1944 1 218.13783 6.324 UFAHZIUFPNSHSL-UHFFFAOYSA-N Putrescine 208 2 89.10747 9.22 KIDHWZJUCRJVML-UHFFFAOYSA-N Pyridoxamine 1287 2 169.09613 8.124 NHZMQXZHNVQTQA-UHFFFAOYSA-N Riboflavin 3518 1 377.14459 6.084 AUNGANRZJHBGPY-SCRDCRAPSA-N S-Adenosylhomocysteine 3568 2 385.12769 8.751 ZJUKTBDSGOFHSH-WFMPWKQPSA-N S-Adenosylmethionine 3623 1 399.14395 9.749 MEFKEPWMEQBLKI-AIRLBKTGSA-N Cysteine-S-sulfate 1722 3 201.98338 7.985 NOKPBJYHPHHWAN-REOHCLBHSA-N Serotonin 1416 2 177.10173 5.849 QZAYGJVTTNCVMB-UHFFFAOYSA-N sn-Glycero-3-phosphocholine 2460 1 258.10913 8.606 SUHOQUVVVLNYQR-MRVPVSSYSA-O Sphinganine 2998 1 302.30484 4.724 OTKJDMGTUTTYMP-ZWKOTPCHSA-N Sarcosine 214 2 90.05511 7.85 FSYKKLYZXJSNPZ-UHFFFAOYSA-N Serine 372 1 106.0498 8.637 MTCFGRXMJLQNBG-REOHCLBHSA-N Spermidine 977 3 146.16481 10.14 ATHGHQPFGPMSJY-UHFFFAOYSA-N Sucrose 3436 4 365.10406 8.405 CZMRCDWAGMRECN-UGDNZRGBSA-N Taurine 635 1 126.02178 7.744 XOAAWQZATWQOTB-UHFFFAOYSA-N Taurocholic acid 4076 1,4 516.29755 6.193 WBWWGRHZICKQGZ-HZAMXZRMSA-N Thiamine 2554 1 265.11136 6.814 JZRWCGZRTZMZEH-UHFFFAOYSA-N Thiazolidine-4-carboxylic acid 770 2 134.02666 6.961 DZLNHFMRPBPULJ-UHFFFAOYSA-N Thr-Glu 2355 3 249.10779 8.971 BECPPKYKPSRKCP-XAHCXIQSSA-N Threonine 560 2 120.06536 8.243 AYFVYJQAPQTCCC-GBXIJSLDSA-N Thymine 655 3 127.05001 2.614 RWQNBRDOKXIBIV-UHFFFAOYSA-N Tryptophan 1790 1 205.09659 6.823 QIVBCDIJIAJPQS-VIFPVBQESA-N Tyrosine 1461 1 182.08081 7.708 OUYCCCASQSFEME-QMMMGPOBSA-N UMP 3167 2 325.04251 9.068 DJJCXFVJDGTHFX-XVFCMESISA-N Uracil 431 2 113.03446 2.373 ISAKRJDGNUQOIC-UHFFFAOYSA-N Urea 18 2 61.03995 2.708 XSQUKJJJFZCRTK-UHFFFAOYSA-N Uridine 2295 2 245.07776 4.842 DRTQHJPVMGBUCF-XVFCMESISA-N Urocanic acid 838 1 139.04982 3.44 LOIYMIARKYCTBW-OWOJBTEDSA-N Valine 542 1 118.08612 7.742 KZSNJWFQEVHDMF-BYPYZUCNSA-N Xanthine 1065 3 153.04047 5.571 LRFVTYWOQMYALW-UHFFFAOYSA-N Xanthosine 2788 1 285.082 7.258 UBORTCNDUKBEOP-UUOKFMHZSA-N Xanthurenic acid 1801 2 206.04439 6.504 FBZONXHGGPHHIY-UHFFFAOYSA-N alpha-Asp-Lys 2524 3 262.13925 9.848 OAMLVOVXNKILLQ-BQBZGAKWSA-N alpha-Ionone 1630 4 193.15817 1.08 UZFLPKAIBPNNCA-BQYQJAHWSA-N delta(5)-Hydroxylysine 1209 2 163.10757 9.777 YSMODUONRAFBET-UHNVWZDZSA-N Ectoine 899 3 143.08118 7.812 WQXNXVUDBPYKBA-YFKPBYRVSA-N gamma-Glu-epsilon-Lys 2696 3 276.15472 9.834 JPKNLFVGUZRHOB-YUMQZZPRSA-N gamma-Glutamyltyrosine 3061 2 311.12292 8.568 VVLXCWVSSLFQDS-QWRGUYRKSA-N Homocitrulline 1596 1 190.11824 8.631 XIGSAGMEBXLVJJ-YFKPBYRVSA-N CAR 12:0 3320 1 344.27847 3.909 FUJLYHJROOYKRA-QGZVFWFLSA-N LPC 16:1 4005 4 494.32321 5.58 JBFBGNHYRPBNML-IQZBKSPKNA-N LPC 16:2 4000 4 492.30704 5.603 CZTCGVSNFACFNQ-OFXORYEXNA-N LPC 18:2 4089 4 520.33813 5.533 CLDXAAPENVNFAW-BVADBSETNA-N LPC 18:3 4083 4 518.32239 5.565 MRTUWVDDQVMUCR-ZRRYZNKENA-N LPC 19:0 4143 4 538.38446 5.453 WYIMORDZGCUBAA-CYLJNIGPNA-N LPC 20:1 4178 4 550.38483 5.445 YYSFWGQAKJTHRE-XHYXUQTBNA-N LPC 20:4 4162 4 544.33813 5.477 LAXQYRRMGGEGOH-KMKMFGRZNA-N LPC 20:5 4156 4 542.32214 5.508 PDIGSOAOQOXRDU-LANPRYRONA-N LPC 22:1 4247 4 578.41638 5.387 PAFOXYLFALKPOE-GSNOWZLBNA-N LPC 22:6 4225 4 568.33801 5.458 LSOWKZULVQWMLY-OWEVOAQNNA-N LPC 24:1 4308 4 606.44739 5.363 GDXMCRNTFPQYOQ-AYKMTXLBNA-N LPE 18:2 3962 4 478.29175 5.778 JPISVYYBZRAENZ-JVFIUPCPNA-N