metabolite_name Tbx3_KO_AL_1 AL_1 Tbx3_KO_IF_3 IF_1 Tbx3_KO_AL_3 Klb_KO_AL_2 Tbx3_KO_IF_4 Tbx3_KO_AL_2 Klb_KO_IF_3 IF_4 Tbx3_KO_IF_1 Klb_KO_IF_4 Klb_KO_AL_5 Klb_KO_AL_4 IF_2 AL_2 AL_4 Klb_KO_AL_3 IF_5 Tbx3_KO_IF_2 Al_3 Klb_KO_IF_2 Klb_KO_IF_5 1_Acetylcarnitine_d3 486697920 480904000 467076128 494545984 479007744 496238592 485112320 544298624 479814720 504225408 489120480 545202496 459278272 501374400 511003936 460864896 493467712 487586880 459906752 504337952 460827200 492511008 442389824 1_Carnitine_d3 522286080 523617952 516171520 526469280 535285408 528612064 536520480 579762496 508804544 508052960 508459776 556537600 524207520 544673280 517602496 533144512 525286464 567811840 563908800 526403808 590285440 505494240 531828960 1_CUDA 18780020 18190022 16684524 16244116 16544672 14443402 14817280 15750597 16309891 18359356 14615708 15188017 16548301 18738214 18624162 18840904 15207636 16603362 16204090 18425034 19848200 17574072 13200162 1_D3-1-Methylnicotinamide 307139456 323393344 296260128 332816672 302461024 310746176 315933056 300955296 331520960 317015904 293898016 336445344 285554880 285853536 334567232 327117088 315827200 301617280 330221344 286549280 316518144 323134720 323279968 1_D9-Choline iSTD 182817440 197037600 177383136 180485392 177180592 187127536 183317856 191065056 189569200 189194992 176783312 193747136 183342272 179500384 198754384 194509520 199879696 190390848 194121264 172627904 188158512 196359760 206695456 1_Glutamine_d5 3128564 3172520 2958914 3105809 2665473 2924072 3033637 3210508 2999018 2931805 2999565 3187040 2816256 3173009 3326344 3146128 3251196 3256104 3144043 2929239 3023541 3345988 3017359 1_HippuricAcid-d5 452049 485927 530258 515252 534222 432684 520741 501525 527572 474791 551137 555853 457274 580216 467274 471415 486450 551703 529593 511368 499119 479608 516957 1_Lysine-d8 2513482 1793715 2405126 2251135 2379606 2382158 2431980 2048434 2596996 2438456 2631789 2176826 1954504 2191912 2523628 2034286 2050332 2459906 2169467 2578686 1905300 2650029 1995088 1_Methionine_d8 3889124 4079747 4173848 3977165 4263587 4032127 4219649 4332140 4123827 4258711 4284754 4167319 4163554 4286145 4119721 4164254 4298320 4229198 4021500 4578365 4286790 4622746 4509409 1_Phenylalanine-d8 8233251 8583274 8335076 9537116 8887160 8515646 9335721 9608165 9640828 9302398 9123002 8902027 8598875 9212996 9050435 9132613 8978220 8910382 9227121 9290738 8877224 8896903 8562878 1_Serine-d8 488645 481322 523003 500018 505700 479969 532548 496682 529906 519070 526602 525043 519217 505437 469790 489859 548866 509789 486067 488392 508278 528929 552311 1_TMAO_d9 77805960 74708608 74719016 77553416 75803056 71428768 76910960 78388872 79420192 80201736 72144168 80070088 72937424 76885216 75851760 79895104 77884896 79885600 76646160 74922272 83139328 78780944 77717288 1_Tryptophan-d5 1844184 1899425 1876926 1879389 1624916 1767970 1970715 1908752 1940234 1820896 1897770 1852859 1850150 1765582 1733136 1744900 1943219 1718568 1897139 1822276 1651563 1828017 2075747 Equol 70613 11173 335197 268076 421576 20214 168415 47221 57139 407616 138589 0 33074 0 231760 34965 60592 0 194150 234874 24510 16858 0 Isoleucine 4499936 4499339 6048359 4144315 7267296 5354840 4541016 4597842 4860360 4106354 4906346 5492930 3825935 3175155 3257856 4035399 5023618 5702778 4712347 5503435 4486084 5027828 4622847 Ornithine 3968732 3509460 3615593 2803453 4091147 4109788 3410996 2939101 4101463 3707039 3842473 4641388 2695724 2460902 2526320 2983573 3864927 5606988 3459885 4203031 2774841 3973230 7999392 1-Palmitoyl-sn-glycero-3-phosphocholine 114304288 119098192 111294176 138647776 107625488 152922640 113012408 119311096 166084960 173845632 153249984 77359072 134985088 142261904 150702176 133682896 143958432 178363344 145950688 119479560 90285200 101567664 100988488 Riboflavin 279526 243266 253985 182291 209050 253059 178133 152589 266948 164524 226136 162953 148107 164945 187121 217561 248999 205791 160143 252690 140520 222222 198146 Threonine 1211438 1464224 1318556 962942 1592998 1528236 1034738 1090423 1408284 1156142 1171867 1549258 1127070 1121676 976398 1361933 1424274 1463870 1066359 1330001 1157222 1374124 1580479 NAD+ 920624 650027 943349 996245 1749572 565145 1423243 653727 1451662 673868 715875 228284 1358456 713948 1219080 917382 304261 513289 2093226 847201 675233 217392 341382 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine 1592299 2323388 1926632 2301947 1550875 2184852 2026520 1011048 2075337 3047079 2098356 1708812 1712980 2887295 2250830 2046974 2393474 2004880 2272966 2042254 1351092 1688279 1611854 N,N-Diethyl-2-aminoethanol 3665046 4704824 2926856 4763705 2407552 3204749 3919334 4479269 4861970 2817648 4393226 1696276 2896031 3976869 3866570 3189643 2842870 2915524 3081168 3206353 2222028 2333804 1372620 Tauroursodeoxycholic acid 546785 594334 581926 512116 1070347 1791981 543681 249199 11722732 392258 394443 238678 4712952 221320 446579 964889 994575 1200521 408357 979456 264970 1294125 1065325 1-Methyl-L-histidine 4389892 4415156 2501866 2248026 3928501 4246002 2877123 3537700 5512499 1568371 2671349 6401416 5646784 9978438 3194970 5111584 6626042 4929600 1467721 1805519 7247344 6218076 4491706 Adipoyl-L-carnitine 1047240 269935 327819 360493 1516896 491266 275824 1317347 474982 661430 139909 1825443 268408 508951 369610 356593 308573 1481199 680378 226678 551242 475420 3192491 Aspartic acid 1289829 1569554 861479 964706 1559742 2218341 718374 1563935 1189626 857543 605599 1363088 916857 1016282 975672 1290948 1580479 2330927 889079 673710 1448214 989023 1861275 Stachydrine 6028430 15884289 11286455 14739831 14787566 22285162 29713642 4336961 30346882 22022320 4854782 8723847 20797804 4418560 13086994 34055472 38530808 3822052 18124120 7816982 43451456 34350600 11716190 Phenylalanine 3992715 4162876 4059266 3803325 4854973 4652998 3717938 3982533 4466850 3269298 4658806 4748002 3702238 3336676 2943136 3812473 4609612 5504036 3209435 4253236 3543468 4630580 5084784 Carnosine 95771 363734 60491 66107 68001 292170 49476 152195 158668 123650 65566 214468 83776 98114 78666 241637 352231 286730 38458 73295 192217 308318 250809 Creatine 157858336 238609088 130706976 89616448 125793016 152666816 94343712 131514392 173051456 116150344 79351520 166987488 104318864 158052832 113464512 139844240 156492160 180287360 90283144 91624984 174602608 162087840 170005184 N-Methylproline 101531 105235 106483 104407 70794 146067 145350 80250 152453 111828 109030 135365 157449 182324 133701 199552 237168 126143 123409 98439 191743 190870 147190 Octanoylcarnitine 738465 82019 235268 465654 427335 378314 478934 277408 309109 119586 189112 112040 603356 214334 437155 130555 100089 546237 1373804 199799 351819 250075 229910 Creatinine 6951626 8210687 6269207 6989226 7402855 8195334 5806542 6278221 7247427 5822428 5321320 6602990 7185886 8583048 7399124 7768371 9189576 7368938 5492786 5103820 9118543 7056296 5239608 Nicotinamide 688463040 635263552 562887488 333780544 450289824 596400704 476735680 565785024 560444032 637806656 617982848 654524544 530993184 695134464 458320896 673071360 682937344 640949376 335107520 632195008 568781568 777790976 756565696 UMP 3027642 1450720 2438271 955480 2949753 2442476 2636148 2635165 2038032 1875540 1520161 2352609 3010650 3458918 1528546 2182036 1980036 2104982 2418656 2128336 2594262 1107327 2549860 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoserine 381902 463932 375347 426523 402397 462284 363858 621266 418126 397675 282320 502233 483705 403327 398143 444145 359036 703812 359923 327955 598761 256315 249600 Maltose 355550 1202954 391561 1038912 211082 314094 136458 157964 406151 591341 342492 876031 132614 574441 178616 606436 941063 129320 111177 291366 325351 965625 586950 2-Arachidonoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine 2380010 3370140 3109854 2724726 2455929 2207227 3268481 2143224 2629580 2959462 3261495 1986112 2970140 2328816 2681842 2716629 2884457 2015326 2994524 3194921 2206042 2015447 2008868 N-epsilon-Acetyllysine 253704 194648 334799 285916 258620 216324 281155 297003 183993 299540 245830 287406 165783 234929 281622 159765 215700 187818 294804 239082 234821 177518 178571 Gln-Ala 91468 507604 86028 70671 67338 469081 56062 322328 222170 170086 87216 449360 80906 161231 65271 402489 716693 442083 27032 125051 328401 1172357 483226 Hypoxanthine 52222832 80094488 58546908 49297568 58543360 38281796 57232512 41735248 70639528 56256860 54093784 90707040 42231952 48282476 46780412 57420808 76074040 60337748 29796182 63869656 51891424 85801512 97364904 Methionine 758451 1046990 966003 714084 986794 1062111 796245 865898 1068632 980939 987128 1342400 566913 956208 706502 1142650 1276327 1071694 616484 1264478 939572 1389585 1307846 1-Methylhistamine 700357 1855474 1199136 615888 1266669 1846446 337853 721071 782203 455460 291685 887987 518209 759382 368107 1463100 790526 576397 481624 388252 1047347 1526496 437873 Stearoyl-L-carnitine 1048576 582528 1191460 761603 2979355 1020610 1182940 566629 1258846 572491 486073 1302265 671456 790399 875123 545262 449591 1628964 821590 875486 675310 592533 1432169 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine 17507334 12374100 15443758 11696897 14247715 11322266 14369462 17197304 10095437 13838225 9933190 15534805 12540386 16939352 12982547 10351081 10866685 14247437 13759782 13228569 11489432 9075894 7254594 His-Ala 109949 238240 82754 82739 56575 242484 55077 226332 124531 143453 128509 252629 95112 185435 78396 209095 315837 211966 49320 123080 185414 327442 278080 Sarcosine 323937 538643 1103226 933928 917915 402417 1228546 490757 425313 1465762 1761983 632306 715360 564158 568270 1145260 730348 1080698 1756965 810284 1077212 701492 1875081 1,2-Dilinoleoyl-sn-glycero-3-phosphocholine 41690628 50504336 43397684 38750912 47827576 48915504 37254844 36708508 40879932 33162008 34611444 35702048 45126496 33735888 38655496 42391912 40802812 41088540 34110156 40993756 39023028 33276346 43656708 N-Methylalanine 2650488 2943454 3530212 3100097 2912419 3958533 3010627 2881798 3771627 4472266 3073643 4813509 3681569 3294022 2584274 4406640 3998881 4704488 4753638 2647769 5986375 4514924 6993362 Adenine 1068599 744362 957233 1020807 1138770 630517 1135915 846589 959795 1113054 858865 869134 746735 539849 1027011 677473 704432 1091002 1304391 1002875 735677 996539 1350242 1-Methyladenosine 326043 247292 302872 240874 383539 267938 266381 241215 287938 209927 232150 364011 188790 199103 269499 222769 288823 306263 218566 326922 282323 258439 277923 Pantothenic acid 2566637 3232055 2442324 2599578 2988062 1748586 2115702 1233904 3605304 1914200 2586152 3413544 1098511 1860956 1609454 2769271 2966522 3560176 1549682 2010495 1981509 3054880 3458607 1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine 840782 839813 1193442 1435368 766607 1095086 1329664 901199 1209104 1024625 914098 666406 1334481 717971 1120903 1092916 1121625 936843 1504600 1001354 1107691 762236 499489 Inosine-5'-monophosphate 1175604 1795116 1485118 921407 2014325 1582212 1470083 1064784 1728974 1307587 1067688 1539065 2253914 2000689 1582289 1316792 1632755 1712008 1787145 1578429 1516163 1364472 2522602 2-Linoleoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine 1112372 1663984 920704 982507 1146200 1120536 1533026 780903 833913 1293684 1539080 835976 1340602 1270493 754840 1219764 1238180 907228 1133011 1118544 992181 831672 840970 N-Acetyl-D-lactosamine 331569 250708 100732 147830 163639 195341 179403 353983 254410 98916 171768 339138 185362 307355 127686 212072 240687 609386 238277 138522 231226 219522 190681 3-Methylglutarylcarnitine 1591166 55310 300825 68532 150829 178479 7671 574504 60558 148685 299604 92319 152627 69104 219067 204452 100029 102232 8125 267311 34405 56890 767989 Gln-Thr 172978 455640 113888 114533 97187 318110 96544 261836 273967 233503 283358 426603 129660 196992 175546 308467 424529 434317 52873 190725 314314 597714 371627 Ala-Gln 3682616 5348043 2847356 2447222 1182086 3972149 2034901 4545204 4083965 4668007 10682386 4425908 2596244 3908857 4515509 3918422 2797629 6029293 1847617 3908212 2902512 4155330 2928995 Histidine 45282552 28143428 65089092 47216856 54195748 49780744 55944116 47973004 51126952 60336900 53178212 48304916 40769652 37299036 52734600 31217918 33248876 46419316 54712904 61427580 43158408 40385840 44575916 4-Pyridoxic acid 84353 103173 79475 149744 85936 95637 80084 66899 164120 104861 112289 75580 57710 49784 84432 186735 114670 114705 100188 94084 71353 185086 82523 Pipecolic acid 185507 169571 204668 180554 227250 160981 237762 143398 214150 282955 225888 169198 221636 267570 230009 180067 266034 191950 205296 203409 225379 212580 120874 Glucose-1-phosphate 191866 177427 120300 197495 189995 188006 182077 266160 219382 124340 132992 357264 203446 281028 206281 153054 213922 268138 261204 137537 201536 245511 317388 Ethanolamine 495518 428020 377775 397788 485793 490108 368037 494608 503236 299956 358810 321608 337295 454141 334191 318550 350842 859266 227356 459571 325721 278555 389472 Thiamine monophosphate 419150 640258 324921 155326 427863 705955 263900 397739 459189 366918 273270 517899 443843 289953 184893 622930 594680 653638 146741 321420 599879 470503 749270 Val-Arg 386992 818307 244595 368046 214292 767820 246521 446821 686216 636264 766052 561993 369812 464776 632599 679181 592768 527328 198113 517803 281510 1087850 495060 Cytidine-5'-monophosphate 178841 125970 126925 114993 202922 193814 126827 312589 167071 189105 120177 291922 288254 314572 176805 177705 185015 309682 184605 99470 311853 190276 432222 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine 25905954 35487656 29783448 28375740 24642936 30289682 28001224 26517790 29565698 25125424 24405836 36480948 28471926 29877120 29950916 29840784 30408384 27667104 31718346 26736656 33152310 30943928 33380564 (2R)-3-Hydroxyisovaleroylcarnitine 1272346 650608 841141 766034 1013574 733846 1068364 986766 526188 796982 940505 1017338 697846 1209257 1055352 523858 538441 971344 954537 955383 488550 600625 892521 2-Methylbutyryl-L-carnitine 17390158 9000772 18428862 25837048 9219760 9418659 22021950 11595747 17816166 13714111 20934564 8269856 6346324 5845348 21741116 13398955 9326737 19086540 31708758 21621838 6117142 17030660 11347287 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine 88835024 53211716 56112508 49803836 52173420 65296952 41756624 85186288 65304408 52550024 47290524 51000612 55589176 80595192 52934460 55781624 53051248 103559872 56175632 48132504 44502700 34939772 39767664 Cystathionine 352177 86668 327865 165513 162812 119217 235242 455808 148277 419887 276485 178205 100389 188753 174967 120832 90382 193685 316364 196631 191116 65372 112633 Oleoyl-L-carnitine 1794176 502837 1800068 1158244 5722355 1257182 2214954 1002929 1831787 578806 392011 1110929 1925356 572984 1173790 550352 240827 3386498 1626101 1383190 1343812 561222 1385401 Uracil 77047 171736 131306 179149 73044 146663 102131 101194 138573 117087 141568 114006 52832 104826 149002 112580 121600 145559 96446 153329 93586 159023 131028 OPHTHALMIC ACID 1352865 1114293 353548 339870 2806166 5653393 260828 721272 2262960 420925 180084 2281508 1971435 2151105 380846 2074716 3104935 2028442 322360 232340 2134440 3723297 10212148 3-Methylhistidine 530353 601281 428340 397890 621768 1209422 607332 433102 942022 480085 386866 897236 731574 972467 536983 996732 1235881 1408424 342685 354480 1590498 1121282 1201708 Gln-Gly 92212 349413 76175 59381 46766 235208 62137 174171 137380 184161 142460 350152 91170 228756 85207 248899 400892 277469 25413 115304 190044 390478 286172 DEOXYCARNITINE 12287822 16256319 12397803 10016206 17541742 12956631 16265650 11887304 10869611 15119523 7492530 9176293 11347459 8041286 10979104 11935092 11524210 13556401 20110232 13985704 11937763 8551860 17627442 Nicotinamide riboside cation 297880 255210 230191 120570 832286 167380 295064 275740 320832 172876 352651 321329 199190 171202 128383 231686 263493 482274 190106 455025 222740 283010 270618 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine 50928232 60218332 59026840 63082816 55996056 58143820 60138468 47796076 52640168 67868488 51672560 51771728 61866900 56135164 63243068 60903384 61563024 53809784 64132764 57746108 60346624 43039948 35924436 Nudifloramide 454910 363836 252754 433547 185802 775769 300000 473188 264337 221246 255525 413105 250428 807624 223172 295962 265791 894496 332449 361300 353350 507095 229529 2-Indolinone 89606 444546 45876 168926 94238 123677 89587 119108 393164 71657 66127 44772 332784 40594 175479 493822 403758 148364 135156 62726 177696 213402 69914 Thiamine Cation 6491963 13624033 6718301 6060598 5333405 8536364 5300366 7441757 8001820 7637142 6099468 10084456 6422882 6680066 6136898 11746569 13854891 6409676 4978822 6691490 7959729 10956044 10872630 N-Acetylhistidine 6932778 6347284 4474546 4868908 3634862 4216682 4879400 7970557 5535104 5587492 5101954 1696226 5103410 5304920 7054046 5185859 5466831 4739408 6575324 3847163 5673112 2057984 587479 Lysine 16871382 9791602 19335820 10836169 18564046 15348905 16798472 13970646 15471781 14519784 17454746 16405744 8902402 11891483 12170591 8688614 9461183 16317275 11196861 18750132 8884092 13120771 11105993 Putrescine 251465 125276 725490 636945 188751 204876 736801 360249 147089 1019458 519935 270816 124379 591272 486170 172907 167359 295061 666235 588048 179004 206407 238707 1,2-Dihexadecanoyl-sn-glycero-3-phosphocholine 1716672 2240212 1306304 1886956 1579998 1932193 1614690 2174852 1603000 1743120 1540773 1936741 1765132 1921932 2033252 1681358 1593142 2279314 1578578 1363110 1853390 1648618 2040774 1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine 914544 1657494 2193610 4228686 1073916 1432382 2380470 1568405 2204937 4261134 4225060 740489 2472606 1965775 3066086 1998683 1836300 1474354 5184666 1879766 1124910 1141615 1262858 Palmitoyleicosapentaenoyl phosphatidylcholine 3011720 3059162 3708736 6300568 3336414 2861183 4091143 2915846 3318309 4822361 5692744 2301856 4160863 2225049 3792252 3407263 3098701 3368807 5147069 3708491 3601744 1918704 1807392 3-Guanidinopropionic acid 120071 95329 176696 119724 126120 78747 105553 116654 106668 158570 158413 71812 94164 227652 125464 136121 99536 63713 150289 116614 135040 89039 41227 N-Acetyl-glutamine 204455 79646 134302 149295 192468 236100 133813 254544 139900 127694 120645 83135 195117 161743 95291 152126 95200 101975 114869 183598 174514 130233 69477 Betaine 1105776256 1976049536 1818793856 1850070784 2209187584 2125225728 1952964352 912000128 2636482816 2151866368 939443328 1854893696 2103856128 834359296 1704331136 2621683200 2530052096 1840308224 2242198528 1886850304 2735677952 3053858048 2667523072 Uridine-5-diphosphoacetylglucosamine 1008540 1010905 742917 588859 812251 980024 712967 1157494 1190820 743148 561384 1194829 883208 903712 942140 986576 696471 1341073 827590 672321 1005377 792242 1388182 2-Docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoserine 763348 1348173 677224 620508 781349 879406 989171 678915 696734 671021 663601 1303777 870236 1192239 822310 896302 887723 912270 992248 720877 1028384 860847 1095716 1,2-Diarachidonoyl-sn-glycero-3-phosphocholine 1735337 1910302 1448727 1026460 1965666 1811347 1160223 2125714 1538306 1041766 1083278 2592494 1911485 916528 1414674 1965729 2031466 1694366 1164677 1366798 2944748 2163950 956953 Decanoyl-L-carnitine 371565 53587 176532 187497 761162 214832 289930 300190 427085 75535 83808 110221 256692 108146 162316 99264 60926 209160 486854 158611 420698 135921 146224 S-Adenosyl-methionine 665897 413221 432604 437139 1049818 396987 534222 514028 862220 286528 189374 346491 686965 467490 747508 493795 294635 325127 717564 391286 392039 356549 472810 Linoleoylcarnitine 1278022 508091 875453 646718 3644906 1015417 1277533 793845 910777 395809 335801 864438 1192880 385954 646030 562123 363051 1809507 619590 861228 1549265 697038 790710 Serine 563367 871343 742881 426939 939284 621027 579934 482011 809153 573886 416243 694564 599708 440017 463309 757687 868152 516680 476876 669243 677272 760957 744095 NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE 4828717 6225443 5037642 4272138 6140669 6898279 4487003 3849884 6944264 3375628 3631586 4410945 4488764 4034198 3335148 5789354 5652241 3544982 3373334 4617758 4775383 5281188 5632326 Glucose-6-phosphate 350967 336689 225315 392501 305905 385142 327960 601199 402797 223119 238101 718981 353113 575387 387053 310611 571881 492056 429978 222424 411744 615968 712231 Pyridoxamine 316031 214689 154178 227244 347320 189770 205884 217471 285538 118127 133736 177374 203458 124244 199548 182340 137267 573150 283875 156938 215599 162786 265340 Targinine 1047722 739269 646847 650963 606943 663562 507908 1101728 638623 829038 478119 627461 337272 708241 606491 660436 625437 565889 757202 531276 626152 610522 748265 Histamine 163135 13147164 137111 431560 11995969 362080 107773 174483 1318088 132967 139894 97734 84397 374796 124983 4534846 484268 416522 95839 157963 430008 1163988 140762 Isomer of Taurocholic acid 5333515 1191635 1773948 2402574 3236482 3432922 2046912 3170337 4686658 1207612 1535171 1201716 1052678 989729 1410689 2791592 1817239 2821044 1861990 2627176 1463201 1134617 3162803 N,N-Dimethylarginine 5154809 4262718 3945482 3725520 5063166 3872764 3429063 5326976 2713327 3774892 3179336 4873160 2006933 4420668 2816756 3715509 4558568 2753642 3104100 3633077 4133581 3940592 3861032 L-Glutarylcarnitine 981510 909538 763085 671677 1085736 1204604 742866 1321547 849524 746513 666029 2215359 858986 1456504 664740 815244 708125 2659286 1190899 816162 888417 881191 2811877 Methacholine cation 18408798 95019520 12032483 16881746 12600710 50496724 12935319 8673566 70109656 11392318 11140648 52487492 46205072 59367528 17747898 60700596 84332288 68372864 10276277 10857391 52781892 62694256 85910680 Arginine 261436 214217 245292 232742 248941 257484 263610 208878 284895 249438 284930 226381 236451 234627 261112 198613 211607 206366 223908 240449 214599 273976 210986 Choline [M]+ 295853280 322695104 424433920 397273728 459059808 371685152 379369440 221055872 440954880 309320448 340384160 193999040 254187968 354214816 200384176 324444704 358201728 208130016 281136544 423913728 165574336 221296960 202950368 Adenosine 33134462 20901632 17057768 16328934 23837614 18161794 17240970 19328506 22840404 17294374 11709609 22248740 19989872 17178296 19600762 21689156 15134811 45236648 21802894 16294277 28309608 14389824 25789164 Proline 5534513 4840235 6448450 4593523 5742394 7187374 5097754 5802258 5690136 5365915 6045566 5549456 4387370 5286596 4339808 5465833 5383374 6785214 6080953 5767648 6902405 5951790 7705044 Cytosine 185376 222882 589249 399282 141267 277301 391007 153214 243232 610833 211738 347614 113049 149097 377220 119092 135146 94838 355971 287975 234169 174216 238144 Tyrosine 297029 413052 323615 159725 333326 319612 217191 240786 384212 213463 293298 344110 206705 205517 184060 286619 344752 376612 159327 326972 284544 355759 465262 Protoporphyrin IX 352026 299688 395039 836877 249616 482896 443211 195617 660274 404419 790939 163594 413811 169142 563943 438872 416116 233158 458955 453003 201067 613963 163588 Carnitine 380402592 367488896 359499552 335633248 304210816 432347072 422543040 324879392 382919424 393389760 399305856 524095776 363858144 408432224 346613824 447669344 480835808 489996256 416327936 434327904 422142112 533868704 766025664 N-Methyllysine 137653 341128 148971 212196 229141 267380 139174 263184 254864 168851 113508 185972 241286 221947 190957 272250 202646 318206 223126 150551 224923 185404 222512 4-IMIDAZOLEACETIC ACID 128495 86787 113766 104940 101720 78081 113634 85290 104844 232894 104107 61054 93338 66716 163931 113726 82785 75882 124016 101711 92789 67546 65575 Myristoyl-L-carnitine 328627 70448 229287 220425 1020047 149260 385760 153902 273976 71862 68383 119946 422907 179187 208539 84540 34409 363951 494365 188082 182317 42576 131347 1-Oleoyl-sn-glycero-3-phosphoethanolamine 1812928 2906940 1741226 1960798 1768060 2179785 2098402 1099994 3280824 1825270 2446190 1702346 2481749 1257575 2106336 2415017 2718864 1784592 1859436 2232103 1628217 2956996 2199126 Tryptophan 1095800 1074556 909986 715568 920565 908946 836089 1016751 981733 717505 849782 892758 787439 742485 602103 767451 933840 1205672 796810 919712 713950 829080 1136309 Alanine 29358114 24941886 27003666 26520402 20921074 19493216 24197432 24531046 28804312 33694040 27216256 24250296 18960796 20143626 27576334 25929534 30884846 20736500 29092038 18956850 24480916 30086356 26032300 (R)-Butyrylcarnitine 43829944 10929358 30173530 32570706 32525698 30412220 40759340 33417008 38026008 18836788 17339588 19900782 39610700 26547220 31183794 18787140 15040331 44204088 72699552 24810036 18178222 19195578 34781464 Ala-Lys 240451 1304581 236166 299596 129376 430568 211049 358768 540623 650194 766654 761310 266312 332138 412696 672251 863802 626059 181189 394328 393001 1196974 887438 SEROTONIN 227612 320671 253854 383650 479880 143834 235158 186785 182628 294654 176599 98611 121109 89911 234939 215264 170464 36853 327918 183020 173608 234190 178014 L-Arachidonoylcarnitine 616195 296360 307102 234333 621578 491491 426734 294339 559414 131980 150894 435051 584679 234413 277357 263570 253902 628224 213375 363649 612021 615407 990438 2-Arachidonoylglycerol 211561 340420 186365 250642 198383 331674 193327 217471 402204 243940 383596 263228 243041 130798 270030 258718 313863 222225 147610 276127 166336 392797 345959 Acetylcarnitine 493340832 206261888 306471232 273677568 534764320 384387232 410509024 428085024 227864064 280764384 213737600 335223072 370484416 351207424 335641696 336647872 224754096 418375392 447417728 350566688 322355296 245609168 508043200 Glycocholic acid 24448 96285 12486 27592 31864 131117 32270 2759 1100796 11453 6716 49205 56164 56320 0 88965 26852 46405 28962 43116 11539 171952 429721 Citrulline 238159 273466 280815 162358 308984 334969 277782 220148 238026 119855 154056 176979 272775 294436 258513 289540 251595 259346 227362 147738 395145 169460 256208 gamma-Glutamyl-cysteine 1101406 761898 1038825 839578 2043208 965534 1111728 845306 1761715 1000755 990186 956622 705870 594074 1071608 1202032 1387410 997115 776014 1243645 615419 1323995 2629956 Leucine 11472012 11972692 11121958 9116590 12225961 12878321 9667383 10148809 11678535 9002912 11289551 11816849 9284335 7541076 8116062 11877009 13838503 12595926 9774241 12113952 13114115 13675948 11945573 Guanosine 5'-monophosphate 1354324 1559219 1237550 1098485 1588179 1823709 1188780 1609021 1738770 1413868 1162238 1761196 1659596 1751196 1453270 1603165 1526976 2269313 1424624 1360166 1669178 1394103 2127954 Palmitoyl sphingomyelin 2477246 3796018 2143630 1762287 2098005 3236866 2011954 2745570 1687634 1426032 1262640 4207141 2257010 3733040 1832274 2398180 2331165 3660123 1752202 1718018 2916538 1864444 2383222 Glutathione (reduced) 154652400 151800640 150688432 127609968 135270784 146240176 159226384 119172936 184106736 167018624 111657888 132477968 168835696 132098984 199022816 152251888 183978848 172892272 163749632 122364384 124135792 155492768 293026560 Maltotriose 269255 605272 409536 519744 201304 298926 107772 197607 316133 615200 325262 718662 132333 379735 183434 412357 640403 145154 78849 280012 302561 818566 474514 Ser-Arg 224692 599392 89428 193519 177913 480356 159636 501278 535558 181661 128363 744091 293490 490855 268614 475985 696973 581834 234029 108598 440440 797691 750040 CYTIDINE 5'-DIPHOSPHOCHOLINE 1603357 1777837 1259076 1062147 1084422 1311508 923776 1167946 1620346 1168381 1301270 1022789 1096562 1196041 1403931 1558481 1418654 1395690 1274458 1548824 927712 1313805 724106 Adenosine 5'-diphosphoribose 2698794 2694230 1966398 1069888 2019905 2664235 2078546 2555625 2637470 2735661 2035214 2689845 1877024 3321264 1833806 2881463 2468210 2400616 1147942 2492970 2263170 2697618 2550614 1-Heptadecanoyl-sn-glycero-3-phosphocholine 2431798 2268944 1548830 1350978 1843676 2964171 1521466 2451736 2592691 1476945 1627755 1564314 2732694 2112250 1422638 2836727 2800119 3266776 1534512 1296958 1705606 1997705 1379182 Ergothioneine 23010128 13438035 16587584 17997396 21606740 29508134 18615372 13677325 24834602 22802474 15582609 23631914 34651236 28614812 19755774 21812158 22750004 35852208 20477536 18862652 24594766 25470536 40778684 SN-GLYCERO-3-PHOSPHOCHOLINE 296480160 316657248 361379712 169218896 420373888 302209664 326011488 226440672 387091136 272108928 408475840 201742704 246597792 194284832 202565744 469424832 383210880 256218944 275369824 413087904 251143280 222107536 236059952 Betaine aldehyde cation 1180126 1783115 3077832 1169051 1474731 2002094 1292630 1128442 1915981 1886546 1396798 1280725 1034174 2041862 886597 1541308 2222153 1416486 660898 2525176 761393 1077277 1243130 C18+M160T67 1470746 719038 1890116 905284 1035293 722722 1096154 796521 719334 1916769 976174 597995 611043 873467 1288846 1221518 1172762 1016291 1451570 1692221 992311 872792 376843 4-Guanidinobutyric acid 21453662 2377004 24589434 25270720 25602186 9470911 29814384 27283902 5001745 51996428 24517842 4969165 8508436 22759986 16573128 21730014 5539261 8311420 51122316 26515764 6210522 7730577 8556821 Xanthosine 240145 453387 380324 567592 231807 564955 384623 190411 792629 341610 462606 235874 314886 258368 574372 361264 499209 302357 220474 497205 278044 594149 279187 AMP 23263680 19486088 21446528 18105928 21959608 23590858 18030132 22789814 22739240 22396054 20294852 23037076 23365470 26474522 20367170 21999120 20664486 28505016 19023930 17435120 22123124 23654176 24072858 3-Hydroxybutyrylcarnitine 5823959 7858260 6390622 4097242 15856193 10520980 5077158 6616000 13072995 6935526 4509917 11118689 9538184 7026320 9595367 10147749 8640933 7200442 6047336 9065763 10548018 11933754 14338011 Propionylcarnitine; [M+H]+; HCD (NCE 20-30-40%) 70682336 47936056 69473264 74978120 47914144 39798464 87026296 38219792 58916688 75451216 74323536 47224112 28417276 25435320 72160960 81680672 46329636 64979832 108652472 94534888 23949208 78191112 81858760 Inosine 6698936 11475769 7864416 8855132 8686512 6151267 8011703 5362518 11711674 7314987 9221806 11617451 6558193 5716055 6691446 7924618 12006638 5678546 4695226 9219919 4510046 11681560 12873069 TMAO 5454146 15203442 2278075 1485710 2364370 727997 4953057 7229337 919153 1648826 2416734 6393644 1075453 1444842 1809309 2662544 5804966 3395783 4168696 1236193 6322656 1040815 1990095 NALPHA-ACETYL-L-LYSINE 604901 123147 304600 315077 339000 322103 317938 549677 226546 388781 260111 256637 239261 201405 296890 192328 185848 273708 339591 334245 217451 156918 171115 1-Hexadecyl-sn-glycero-3-phosphocholine 441975 401626 296792 325256 323889 840158 290475 634762 419079 317759 290013 417676 343495 357121 287625 381052 522910 708912 288432 284935 438050 353651 501838 Guanidinosuccinic acid 531115 1006302 218759 363481 456004 276856 352684 233566 446862 460982 331219 733854 316387 121021 544481 691374 917490 44005 703916 185606 907300 494106 509071 HYPOTAURINE 3527837 1816800 5023479 1927968 2161374 1776936 3783073 2593493 2924637 5586016 2571502 1608577 2305588 1596738 2461424 2087411 1005888 1321704 4085120 4780422 1198776 1545139 1373506 Hexanoyl-L-carnitine 10162290 1109562 3929675 9185120 4537891 5118776 9101945 4226032 7595187 2228363 3445710 1541955 10263304 3171162 8609990 1982835 1447300 9608280 24308972 3335868 3399640 3279916 3755878 FAD 140443 212967 125353 141517 154012 176194 146442 138622 194774 136274 126391 169757 210878 151683 152931 182111 171347 193108 175628 136580 166624 176534 209790 1-(1Z-Octadecenyl)-sn-glycero-3-phosphocholine 363949 344272 186290 269531 189355 1100615 131879 669365 292648 212294 191789 340694 318250 467147 231999 370581 667188 830907 159974 181426 404808 309108 422590 Taurocholic acid 1830242 1616657 2495715 2065306 3254317 5389846 2924101 563385 17508910 1215796 1462142 2183365 2718013 1638786 1285920 2633309 1971250 1455126 1944853 3645258 842414 3251829 7635005 Glutamic acid 11202514 8941550 9541394 7857400 25137488 16899088 11657385 13665783 13477818 6772721 4776587 15127894 10680249 9015329 6393928 14901756 17382906 27850842 6728898 7286264 19560438 17680360 39830572 Benzyldimethyltetradecylammonium cation 7396162 973161 898682 1035118 4045918 1011605 892889 1198005 965307 1484589 921200 825934 828378 1029260 939671 917745 979919 990419 857727 940911 844511 1159323 724771 5'-Methylthioadenosine 2886080 1747558 1920682 1705660 2671638 2252992 1850913 2555042 1784003 1762326 1243515 2189373 2509438 2243090 2153198 2234488 2270124 2372535 1959134 2640882 2502064 2568322 2746812 Arg-Ala 306986 1210022 238457 245804 145339 665388 146780 468997 454704 486251 434274 813179 192835 356338 269301 605285 793253 534402 134688 303994 416100 1164985 614208 TRIGONELLINE 34856296 15855015 39882176 20583768 22051060 15716664 22315700 16474995 14926638 38001488 17479684 10289516 12748115 15835431 26717176 24895086 21819252 19128410 32342288 31035494 21437234 15850585 7228293 N-omega-Acetylhistamine 83719 377944 26498 39525 30568 127468 151757 56446 234144 28215 24685 46099 328307 60131 37134 215819 318647 37329 85236 24754 140343 162674 77046 Taurine 28003566 5451197 33911700 36513024 18778474 16853402 36854096 39167388 3744224 40626080 40074920 49510304 20161290 61895056 37334440 8971478 8456345 39520880 51607820 35659260 16392295 6522318 7461581 Palmitoylcarnitine 1758943 699150 1504432 1569873 4333679 1874325 1884975 1025301 2015231 688134 607376 1311696 1874285 1398290 1329201 862544 457067 4362950 1746546 1048449 1301833 519904 1327978 Urea 57373140 65434272 50916844 59241880 56880604 62980908 50307804 43809028 50999760 68623512 52009824 53044964 53177976 60521680 53161096 62006344 63204748 47922740 67716128 43265748 63602668 48725968 54366420 Arg-Tyr 367253 855730 188848 267964 255382 736476 187236 387507 479442 349628 229799 561095 309476 331544 347054 689760 719567 568324 184973 211730 451189 817398 707468 N6,N6-dimethyllysine 342243 586110 175653 454810 532311 1063560 129795 628707 637085 280869 104858 464318 425978 469560 428634 665638 691667 831194 342924 150641 554403 423657 815270 1-Oleoyl-sn-glycero-3-phosphocholine 14023933 15388726 9909436 13559599 11100796 16466525 11619272 16306934 24353734 11530015 12178166 8688013 19531624 8580479 12956597 16098574 17555814 18723544 14458071 11847106 11637130 15569229 11275211 Phosphocholine 161423648 107067216 109674184 67799224 129272920 217933552 63116036 31524484 56710240 125285408 59356872 15205409 82700584 135657824 27805968 156130720 53765616 58286376 198919744 122375832 36668484 19486972 19609086 1-Hexadecanoyl-2-sn-glycero-3-phosphate 137188 278646 188161 757949 80427 236439 177245 131640 500098 474620 523446 160644 156274 296417 643044 300385 365033 233214 379996 278397 139052 455937 289190 3-Dehydrocarnitine 736440 358646 624969 618187 382412 715955 627581 530825 613184 555477 816692 1056484 621943 685212 749641 964520 1092433 1321000 648733 534616 1004296 1488548 1894427 Glutathione (oxidized) 811721 1257056 514813 788182 917265 1078314 776636 548468 1134692 825891 648975 575997 1068265 684465 938928 1535452 1223906 1139333 891684 672391 1168931 1010453 1497755 1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine 2233503 3527352 3146977 4113326 2332521 3722218 3369039 1799406 3891440 5276260 4942096 3235804 3845522 4176460 3024798 3672098 3653454 3855013 3937591 2965717 2386113 3375344 4238904 Glutamine 44654112 39006816 55339360 35008184 43518808 54620844 53516048 39458224 58750300 38571544 45476124 50257728 54147560 58368876 42476720 44960136 55299472 44702284 36016168 50419776 56147028 57488888 37839772 S-Adenosyl-homocysteine 3474134 3469234 4643138 3200256 7865524 4069452 6439900 3705377 5921970 3332995 4031570 2875727 3107443 2732271 2517274 3635782 4209811 9406268 3898840 2969056 4655991 4655872 9338064 metabolite_name Average Rt(min) Average Mz INCHIKEY 1_Acetylcarnitine_d3 7.109 207.14154 iSTD 1_Carnitine_d3 7.735 165.13089 iSTD 1_CUDA 1.115 341.27921 iSTD 1_D3-1-Methylnicotinamide 6.146 140.08945 iSTD 1_D9-Choline iSTD 5.046 113.16362 iSTD 1_Glutamine_d5 8.586 152.10762 iSTD 1_HippuricAcid-d5 3.002 185.09669 iSTD 1_Lysine-d8 9.54 155.16269 iSTD 1_Methionine_d8 7.433 158.10834 iSTD 1_Phenylalanine-d8 6.881 174.13622 iSTD 1_Serine-d8 8.655 109.06904 iSTD 1_TMAO_d9 5.403 85.13274 iSTD 1_Tryptophan-d5 6.853 210.12836 iSTD Equol 1.134 243.10121 ADFCQWZHKCXPAJ-UHFFFAOYSA-N Isoleucine 7.192 132.10181 AGPKZVBTJJNPAG-WHFBIAKZSA-N Ornithine 9.59 133.09718 AHLPHDHHMVZTML-BYPYZUCNSA-N 1-Palmitoyl-sn-glycero-3-phosphocholine 5.531 496.3389 ASWBNKHCZGQVJV-HSZRJFAPSA-N Riboflavin 6.118 377.14471 AUNGANRZJHBGPY-SCRDCRAPSA-N Threonine 8.252 120.06561 AYFVYJQAPQTCCC-GBXIJSLDSA-N NAD+ 9.77 664.11682 BAWFJGJZGIEFAR-NNYOXOHSSA-O 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine 5.744 482.3237 BBYWOYAFBUOUFP-JOCHJYFZSA-N N,N-Diethyl-2-aminoethanol 4.743 118.12275 BFSVOASYOCHEOV-UHFFFAOYSA-N Tauroursodeoxycholic acid 5.474 500.3035 BHTRKEVKTKCXOH-OGTVOWCVSA-N 1-Methyl-L-histidine 8.962 170.09229 BRMWTNUJHUMWMS-UHFFFAOYSA-N Adipoyl-L-carnitine 7.728 290.15927 BSVHAXJKBCWVDA-SNVBAGLBSA-N Aspartic acid 9.231 134.04475 CKLJMWTZIZZHCS-REOHCLBHSA-N Stachydrine 7.028 144.10172 CMUNUTVVOOHQPW-UHFFFAOYSA-N Phenylalanine 6.869 166.08597 COLNVLDHVKWLRT-QMMMGPOBSA-N Carnosine 9.569 227.11357 CQOVPNPJLQNMDC-ZETCQYMHSA-N Creatine 8.066 132.0766 CVSVTCORWBXHQV-UHFFFAOYSA-N N-Methylproline 7.076 130.08626 CWLQUGTUXBXTLF-YFKPBYRVSA-N Octanoylcarnitine 4.531 288.21628 CXTATJFJDMJMIY-CYBMUJFWSA-N Creatinine 4.823 114.06638 DDRJAANPRJIHGJ-UHFFFAOYSA-N Nicotinamide 1.719 123.05531 DFPAKSUCGFBDDF-UHFFFAOYSA-N UMP 9.087 325.04248 DJJCXFVJDGTHFX-XVFCMESISA-N 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoserine 5.786 784.51251 DKLQKRSJZISZKW-KNFJROLASA-N Maltose 8.871 360.1496 DKXNBNKWCZZMJT-WUJBLJFYSA-N 2-Arachidonoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine 4.711 740.52191 DRIVXEVMDWCWLI-CAQMIEAISA-N N-epsilon-Acetyllysine 8.07 189.12317 DTERQYGMUDWYAZ-ZETCQYMHSA-N Gln-Ala 8.754 218.11324 FAQVCWVVIYYWRR-WHFBIAKZSA-N Hypoxanthine 4.91 137.04559 FDGQSTZJBFJUBT-UHFFFAOYSA-N Methionine 7.418 150.05823 FFEARJCKVFRZRR-BYPYZUCNSA-N 1-Methylhistamine 7.314 126.10265 FHQDWPCFSJMNCT-UHFFFAOYSA-N Stearoyl-L-carnitine 3.226 428.37311 FNPHNLNTJNMAEE-HSZRJFAPSA-N 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine 4.531 786.59882 FORFDCPQKJHEBF-VPUSDGANSA-N His-Ala 9.338 227.11339 FRJIAZKQGSCKPQ-FSPLSTOPSA-N Sarcosine 7.865 90.0555 FSYKKLYZXJSNPZ-UHFFFAOYSA-N 1,2-Dilinoleoyl-sn-glycero-3-phosphocholine 4.459 782.56836 FVXDQWZBHIXIEJ-LNDKUQBDSA-N N-Methylalanine 7.743 104.07094 GDFAOVXKHJXLEI-VKHMYHEASA-N Adenine 4.609 136.06168 GFFGJBXGBJISGV-UHFFFAOYSA-N 1-Methyladenosine 7.382 282.11929 GFYLSDSUCHVORB-IOSLPCCCSA-N Pantothenic acid 3.397 220.11757 GHOKWGTUZJEAQD-ZETCQYMHSA-N 1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine 4.596 730.53723 GPWHCUUIQMGELX-VHQDNGOZSA-N Inosine-5'-monophosphate 9.258 349.05383 GRSZFWQUAKGDAV-KQYNXXCUSA-N 2-Linoleoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine 4.8 716.5224 HBZNVZIRJWODIB-NHCUFCNUSA-N N-Acetyl-D-lactosamine 8.421 406.13123 HESSGHHCXGBPAJ-ZBELOFFLSA-N 3-Methylglutarylcarnitine 5.565 290.15921 HFCPFJNSBPQJDP-UHFFFAOYSA-N Gln-Thr 9.046 248.12354 HHSJMSCOLJVTCX-ZDLURKLDSA-N Ala-Gln 9.046 218.11316 HJCMDXDYPOUFDY-WHFBIAKZSA-N Histidine 9.373 156.07657 HNDVDQJCIGZPNO-YFKPBYRVSA-N 4-Pyridoxic acid 2.687 184.0602 HXACOUQIXZGNBF-UHFFFAOYSA-N Pipecolic acid 7.753 130.08626 HXEACLLIILLPRG-UHFFFAOYSA-N Glucose-1-phosphate 9.675 261.03638 HXXFSFRBOHSIMQ-VFUOTHLCSA-N Ethanolamine 7.251 62.06076 HZAXFHJVJLSVMW-UHFFFAOYSA-N Thiamine monophosphate 9.454 345.07761 HZSAJDVWZRBGIF-UHFFFAOYSA-O Val-Arg 9.218 274.18658 IBIDRSSEHFLGSD-YUMQZZPRSA-N Cytidine-5'-monophosphate 9.528 324.05884 IERHLVCPSMICTF-XVFCMESISA-N 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine 4.419 806.56818 IESVDEZGAHUQJU-ZLBXKVHBSA-N (2R)-3-Hydroxyisovaleroylcarnitine 7.159 262.16412 IGLHHSKNBDXCEY-SECBINFHSA-N 2-Methylbutyryl-L-carnitine 5.265 246.16969 IHCPDBBYTYJYIL-QVDQXJPCSA-N 1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine 5.475 524.37006 IHNKQIMGVNPMTC-RUZDIDTESA-N Cystathionine 9.87 223.07436 ILRYLPWNYFXEMH-WHFBIAKZSA-N Oleoyl-L-carnitine 3.264 426.35696 IPOLTUVFXFHAHI-WHIOSMTNSA-N Uracil 2.419 113.03477 ISAKRJDGNUQOIC-UHFFFAOYSA-N OPHTHALMIC ACID 8.97 290.13391 JCMUOFQHZLPHQP-BQBZGAKWSA-N 3-Methylhistidine 9.396 170.09218 JDHILDINMRGULE-LURJTMIESA-N Gln-Gly 9.097 204.09756 JEFZIKRIDLHOIF-BYPYZUCNSA-N DEOXYCARNITINE 7.724 146.11743 JHPNVNIEXXLNTR-UHFFFAOYSA-N Nicotinamide riboside cation 7.43 255.09695 JLEBZPBDRKPWTD-TURQNECASA-O 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine 4.56 758.56854 JLPULHDHAOZNQI-ZTIMHPMXSA-N Nudifloramide 2.167 153.06561 JLQSXXWTCJPCBC-UHFFFAOYSA-N 2-Indolinone 1.356 134.06 JYGFTBXVXVMTGB-UHFFFAOYSA-N Thiamine Cation 6.824 265.11118 JZRWCGZRTZMZEH-UHFFFAOYSA-N N-Acetylhistidine 8.098 198.08784 KBOJOGQFRVVWBH-ZETCQYMHSA-N Lysine 9.541 147.11263 KDXKERNSBIXSRK-YFKPBYRVSA-N Putrescine 9.208 89.10789 KIDHWZJUCRJVML-UHFFFAOYSA-N 1,2-Dihexadecanoyl-sn-glycero-3-phosphocholine 4.649 734.56818 KILNVBDSWZSGLL-KXQOOQHDSA-N 1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine 4.599 732.55292 KIVAJCJTVPWSRJ-OQHNRNOKSA-N Palmitoyleicosapentaenoyl phosphatidylcholine 4.506 780.55243 KLTHQSWIRFFBRI-KOQZQRJKSA-N 3-Guanidinopropionic acid 7.737 132.07671 KMXXSJLYVJEBHI-UHFFFAOYSA-N N-Acetyl-glutamine 7.747 189.08664 KSMRODHGGIIXDV-YFKPBYRVSA-N Betaine 7.158 118.08626 KWIUHFFTVRNATP-UHFFFAOYSA-N Uridine-5-diphosphoacetylglucosamine 9.935 608.08868 LFTYTUAZOPRMMI-MPIASZHXSA-N 2-Docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoserine 5.749 836.54425 LYYHRRPTEXPVOR-SYEOQEKUSA-N 1,2-Diarachidonoyl-sn-glycero-3-phosphocholine 4.371 830.56891 LZLVZIFMYXDKCN-QJWFYWCHSA-N Decanoyl-L-carnitine 4.192 316.24765 LZOSYCMHQXPBFU-OAHLLOKOSA-N S-Adenosyl-methionine 9.773 399.14389 MEFKEPWMEQBLKI-AIRLBKTGSA-N Linoleoylcarnitine 3.35 424.34134 MJLXQSQYKZWZCB-DQFWFXSYSA-N Serine 8.653 106.05019 MTCFGRXMJLQNBG-REOHCLBHSA-N NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE 9.212 189.15944 MXNRLFUSFKVQSK-QMMMGPOBSA-N Glucose-6-phosphate 9.805 261.0365 NBSCHQHZLSJFNQ-GASJEMHNSA-N Pyridoxamine 7.944 169.09688 NHZMQXZHNVQTQA-UHFFFAOYSA-N Targinine 9.168 189.13443 NTNWOCRCBQPEKQ-YFKPBYRVSA-N Histamine 8.248 112.08715 NTYJJOPFIAHURM-UHFFFAOYSA-N Isomer of Taurocholic acid 5.916 516.29865 null N,N-Dimethylarginine 8.936 203.14992 NWGZOALPWZDXNG-UHFFFAOYSA-N L-Glutarylcarnitine 7.733 276.14362 NXJAXUYOQLTISD-SECBINFHSA-N Methacholine cation 6.438 160.13295 NZWOPGCLSHLLPA-UHFFFAOYSA-N Arginine 9.535 175.11884 ODKSFYDXXFIFQN-BYPYZUCNSA-N Choline [M]+ 5.061 104.1073 OEYIOHPDSNJKLS-UHFFFAOYSA-N Adenosine 4.921 268.10336 OIRDTQYFTABQOQ-KQYNXXCUSA-N Proline 7.751 116.07085 ONIBWKKTOPOVIA-BYPYZUCNSA-N Cytosine 5.812 112.0508 OPTASPLRGRRNAP-UHFFFAOYSA-N Tyrosine 7.68 182.08109 OUYCCCASQSFEME-QMMMGPOBSA-N Protoporphyrin IX 1.413 563.26428 OXTIQTUKEUGAPP-UJJXFSCMSA-N Carnitine 7.734 162.11229 PHIQHXFUZVPYII-ZCFIWIBFSA-N N-Methyllysine 9.315 161.1283 PQNASZJZHFPQLE-UHFFFAOYSA-N 4-IMIDAZOLEACETIC ACID 7.896 127.05019 PRJKNHOMHKJCEJ-UHFFFAOYSA-N Myristoyl-L-carnitine 3.596 372.31 PSHXNVGSVNEJBD-LJQANCHMSA-N 1-Oleoyl-sn-glycero-3-phosphoethanolamine 5.758 480.30789 PYVRVRFVLRNJLY-MZMPXXGTSA-N Tryptophan 6.845 205.09683 QIVBCDIJIAJPQS-VIFPVBQESA-N Alanine 8.085 90.0555 QNAYBMKLOCPYGJ-REOHCLBHSA-N (R)-Butyrylcarnitine 5.655 232.1539 QWYFHHGCZUCMBN-SECBINFHSA-N Ala-Lys 9.661 218.1496 QXRNAOYBCYVZCD-BQBZGAKWSA-N SEROTONIN 5.865 177.10205 QZAYGJVTTNCVMB-UHFFFAOYSA-N L-Arachidonoylcarnitine 3.214 448.34143 RBFQHRALHSUPIA-JTPUQHSZSA-N 2-Arachidonoylglycerol 6.514 361.27304 RCRCTBLIHCHWDZ-DOFZRALJSA-N Acetylcarnitine 7.107 204.12289 RDHQFKQIGNGIED-MRVPVSSYSA-O Glycocholic acid 6.186 466.31583 RFDAIACWWDREDC-FRVQLJSFSA-N Citrulline 8.906 176.10286 RHGKLRLOHDJJDR-BYPYZUCNSA-N gamma-Glutamyl-cysteine 9.088 251.06926 RITKHVBHSGLULN-WHFBIAKZSA-N Leucine 7.003 132.10185 ROHFNLRQFUQHCH-YFKPBYRVSA-N Guanosine 5'-monophosphate 9.581 364.06461 RQFCJASXJCIDSX-UUOKFMHZSA-N Palmitoyl sphingomyelin 5.279 703.57379 RWKUXQNLWDTSLO-GWQJGLRPSA-N Glutathione (reduced) 9.061 308.0903 RWSXRVCMGQZWBV-WDSKDSINSA-N Maltotriose 9.616 527.15753 RXVWSYJTUUKTEA-CGQAXDJHSA-N Ser-Arg 9.803 262.15042 RZEQTVHJZCIUBT-WDSKDSINSA-N CYTIDINE 5'-DIPHOSPHOCHOLINE 9.847 489.11426 RZZPDXZPRHQOCG-OJAKKHQRSA-N Adenosine 5'-diphosphoribose 9.879 560.07849 SRNWOUGRCWSEMX-TYASJMOZSA-N 1-Heptadecanoyl-sn-glycero-3-phosphocholine 5.501 510.35474 SRRQPVVYXBTRQK-XMMPIXPASA-N Ergothioneine 7.811 230.09537 SSISHJJTAXXQAX-ZETCQYMHSA-N SN-GLYCERO-3-PHOSPHOCHOLINE 8.58 258.10947 SUHOQUVVVLNYQR-MRVPVSSYSA-O Betaine aldehyde cation 5.79 120.10201 SXKNCCSPZDCRFD-UHFFFAOYSA-N C18+M160T67 7.413 160.03665 Tracked unknown, thought to be of colonic origin 4-Guanidinobutyric acid 7.584 146.09213 TUHVEAJXIMEOSA-UHFFFAOYSA-N Xanthosine 7.314 285.08243 UBORTCNDUKBEOP-UUOKFMHZSA-N AMP 8.974 348.06949 UDMBCSSLTHHNCD-KQYNXXCUSA-N 3-Hydroxybutyrylcarnitine 7.532 248.14876 UEFRDQSMQXDWTO-YGPZHTELSA-N Propionylcarnitine; [M+H]+; HCD (NCE 20-30-40%) 6.289 218.13832 UFAHZIUFPNSHSL-UHFFFAOYSA-N Inosine 6.265 269.0874 UGQMRVRMYYASKQ-KQYNXXCUSA-N TMAO 5.445 76.07634 UYPYRKYUKCHHIB-UHFFFAOYSA-N NALPHA-ACETYL-L-LYSINE 8.21 189.1232 VEYYWZRYIYDQJM-ZETCQYMHSA-N 1-Hexadecyl-sn-glycero-3-phosphocholine 5.58 482.35971 VLBPIWYTPAXCFJ-XMMPIXPASA-N Guanidinosuccinic acid 8.768 176.06642 VVHOUVWJCQOYGG-REOHCLBHSA-N HYPOTAURINE 8.057 110.02734 VVIUBCNYACGLLV-UHFFFAOYSA-N Hexanoyl-L-carnitine 4.951 260.18524 VVPRQWTYSNDTEA-LLVKDONJSA-N FAD 9.616 786.16455 VWWQXMAJTJZDQX-UYBVJOGSSA-N 1-(1Z-Octadecenyl)-sn-glycero-3-phosphocholine 5.534 508.37497 WBOMIOWRFSPZMC-AYICAFKVSA-N Taurocholic acid 6.224 516.29865 WBWWGRHZICKQGZ-HZAMXZRMSA-N Glutamic acid 8.761 148.0602 WHUUTDBJXJRKMK-VKHMYHEASA-N Benzyldimethyltetradecylammonium cation 1.12 332.33047 WNBGYVXHFTYOBY-UHFFFAOYSA-N 5'-Methylthioadenosine 2.592 298.09622 WUUGFSXJNOTRMR-IOSLPCCCSA-N Arg-Ala 9.602 246.15573 WVRUNFYJIHNFKD-WDSKDSINSA-N TRIGONELLINE 7.407 138.05473 WWNNZCOKKKDOPX-UHFFFAOYSA-N N-omega-Acetylhistamine 5.988 154.09741 XJWPISBUKWZALE-UHFFFAOYSA-N Taurine 7.761 126.02196 XOAAWQZATWQOTB-UHFFFAOYSA-N Palmitoylcarnitine 3.389 400.34128 XOMRRQXKHMYMOC-UHFFFAOYSA-N Urea 2.751 61.04035 XSQUKJJJFZCRTK-UHFFFAOYSA-N Arg-Tyr 9.212 338.18164 XTWSWDJMIKUJDQ-RYUDHWBXSA-N N6,N6-dimethyllysine 9.163 175.14395 XXEWFEBMSGLYBY-ZETCQYMHSA-N 1-Oleoyl-sn-glycero-3-phosphocholine 5.488 522.35486 YAMUFBLWGFFICM-PTGWMXDISA-N Phosphocholine 8.962 184.07297 YHHSONZFOIEMCP-UHFFFAOYSA-N 1-Hexadecanoyl-2-sn-glycero-3-phosphate 5.654 393.23895 YNDYKPRNFWPPFU-GOSISDBHSA-N 3-Dehydrocarnitine 3.223 116.1072 YNOWULSFLVIUDH-UHFFFAOYSA-N Glutathione (oxidized) 10.183 613.15918 YPZRWBKMTBYPTK-BJDJZHNGSA-N 1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine 5.804 454.29196 YVYMBNSKXOXSKW-HXUWFJFHSA-N Glutamine 8.58 147.07626 ZDXPYRJPNDTMRX-VKHMYHEASA-N S-Adenosyl-homocysteine 8.759 385.12811 ZJUKTBDSGOFHSH-WFMPWKQPSA-N