Metabolite_name RefMet_name m314 m315 m318 m319 m321 m322 m311 m312 m316 m320 liverPBQC_1 liverPBQC_2 liverPBQC_3 liverPBQC_4 liverPBQC_5 liverPBQC_6 m323 m326 m327 m330 m334 m335 m324 m328 m332 m333 Factors - Treatment:Fasted/CSF1-FC Treatment:Fasted/CSF1-FC Treatment:Fasted/CSF1-FC Treatment:Fasted/CSF1-FC Treatment:Fasted/CSF1-FC Treatment:Fasted/CSF1-FC Treatment:Fasted/Saline Treatment:Fasted/Saline Treatment:Fasted/Saline Treatment:Fasted/Saline Treatment:Pooled Biological Quality Control Treatment:Pooled Biological Quality Control Treatment:Pooled Biological Quality Control Treatment:Pooled Biological Quality Control Treatment:Pooled Biological Quality Control Treatment:Pooled Biological Quality Control Treatment:Unfasted/CSF1-FC Treatment:Unfasted/CSF1-FC Treatment:Unfasted/CSF1-FC Treatment:Unfasted/CSF1-FC Treatment:Unfasted/CSF1-FC Treatment:Unfasted/CSF1-FC Treatment:Unfasted/Saline Treatment:Unfasted/Saline Treatment:Unfasted/Saline Treatment:Unfasted/Saline 13C5_15N1-Valine 1505213 1539371 1393698 1434756 1414292 1600634 1736641 1542741 1363582 1453251 1737163 1595536 1557162 1552549 1557175 1506596 1400580 1499395 1346575 1424304 1946559 1520476 1311047 1231625 1705913 1678544 13C6-Sorbitol Sorbitol 641105 617913 545330 642313 647902 574781 731180 691956 675878 663558 908287 813973 803589 753757 748373 735307 719904 685708 579696 610806 886771 723803 706613 680387 915270 1097111 1_5-Anhydro-glucitol-4TMS 1,5-Anhydrosorbitol 24814 19131 22005 26510 21746 24903 28465 14645 20211 17438 22479 19849 23092 19709 22435 21757 23121 18612 23824 13109 22870 15591 18053 17230 11365 25086 1_6-Anhydroglucose-3TMS Glucosan 210647 207862 217920 289989 321958 232734 395038 188601 239445 260579 316097 322341 307438 318361 345968 371068 355060 273132 280245 260621 463685 313028 264102 345983 348665 661303 1-Hexadecanol-TMS Cetyl alcohol 81869 62097 89617 88141 53418 72426 42026 26208 42688 49481 89167 69551 68618 70063 58121 71530 81045 63860 60175 58280 83151 48647 28827 33395 40843 51715 2-Aminoadipic acid-3TMS alpha-Aminoadipic acid 294443 270355 459868 273894 386084 279897 549004 439907 597216 1633833 548477 485944 486293 472250 473341 449745 126919 532659 127313 204297 231933 98115 211243 283936 612275 111830 2-Aminobutyric acid-2TMS 2-Aminobutyric acid 85821 94556 228264 85881 102121 77046 212950 80494 130289 108640 123731 110219 111085 111871 115117 111975 94458 70244 75521 43090 139211 55869 64745 33473 149221 41745 2-Aminoethanol-3TMS Ethanolamine 3093021 3203180 3075765 4203434 3439303 1862162 4903789 2316322 2166994 1804966 2495507 2796185 1981532 1822995 1705482 1078818 1941611 1065073 2480886 947225 5250563 1219824 943360 1307333 1610301 8664922 2-Aminopimelic acid-3TMS 252640 245119 321639 330097 277713 281060 304641 39320 127932 275939 325229 282462 282164 261385 267063 260974 264307 212906 215275 252313 781970 183928 151707 172229 143129 375292 2^-Deoxyuridine-3TMS Deoxyuridine 30497 30655 24842 50265 38808 37244 116952 50908 36154 30478 51560 48252 51141 55980 60080 58960 36554 29917 68720 19044 146794 20309 18411 32004 5517 144173 2-Hydroxybutyric acid-2TMS 2-Hydroxybutyric acid 314698 372834 591388 301645 454905 350900 632494 297083 512471 351802 387733 360416 343897 350022 331932 343072 241089 195216 196756 149231 227071 123103 238151 176245 440596 188258 2-Hydroxyglutaric acid-3TMS 2-Hydroxyglutaric acid 381653 333536 504112 474056 359004 442630 373043 200872 175901 305167 470316 426888 420439 404195 402582 406238 469665 465405 336100 417175 784390 424709 302386 268574 469463 444708 2-Hydroxyisobutyric acid-2TMS 2-Hydroxyisobutyric acid 61260 58425 54113 72144 72922 66624 118746 63889 74999 91720 73354 66993 65632 65388 64804 65300 45719 45962 41673 36866 49916 39405 45815 52562 35860 64435 2-Hydroxyisovaleric acid-2TMS 2-Hydroxy-3-methylbutyric acid 97297 108822 103473 125241 117196 91887 143056 86525 115455 91750 99413 83041 83550 80487 79739 77117 55385 40302 56030 44520 44424 36482 33837 32569 37770 40688 3-Aminoglutaric acid-2TMS 14428167 18052313 20968554 21751319 17440271 18420253 15994820 11650673 8626681 13094770 20418472 19535155 19197119 19203577 19017684 18752077 22378016 21368361 21293915 20947643 27729134 19929425 14253477 6422621 11128253 14051055 3-Aminoisobutyric acid-2TMS 3-Aminoisobutanoic acid 58921 70517 138554 110867 116278 77880 82524 45042 63337 82314 74454 69568 66045 69038 66979 67202 66067 50274 50595 41853 32192 45686 49229 39442 47356 45674 3-Aminopropanoic acid-2TMS beta-Alanine 2124040 2495988 3391139 3605305 2775378 2622860 3556853 1808823 1958725 3586118 3293008 2705697 3194101 3116884 3149210 3406028 3332228 2949041 2474663 2302075 1640271 2457305 2097493 1783890 1170950 1035256 3-Hydroxybutyric acid-2TMS 3-Hydroxybutyric acid 24250698 26064678 25633864 23448025 22902818 25164845 28305020 23582581 25757010 24489236 22683550 21701585 21503247 21574824 21212005 21254510 4865810 4210509 3301323 4145027 4423283 2670579 4757118 3206481 3961544 3743512 3-Hydroxyisovaleric acid-2TMS 3-Hydroxyisovaleric acid 104033 104878 179631 129881 118103 161794 162207 103704 104897 142804 139235 112064 133103 107822 108591 110380 96938 88235 107385 80748 178050 102614 71007 73045 199325 195211 3-Hydroxypropionic acid-2TMS Hydroxypropionic acid 478513 516219 554001 869175 494208 554356 604318 431644 407959 526698 698527 594098 619016 510361 513368 563940 459509 634482 297663 606262 836425 651969 360596 361280 514297 445558 3-Methyladipic acid-2TMS 3-Methyladipic acid 9934 10301 15133 19584 10170 11735 40267 19354 28847 32113 25075 18613 19392 19592 20202 19041 7693 8428 7122 4898 22373 6103 11484 16778 29989 25688 3-Phosphoglyceric acid-4TMS 3-Phosphoglyceric acid 18946 19500 47860 45892 24914 29189 33716 11204 10175 32991 64396 30905 51409 23923 27855 22466 29442 30293 9332 30455 36285 18207 25325 47264 41722 6377 4-Aminobutyric acid-3TMS 4-Aminopentanoic acid 384464 517848 472422 647524 462470 389795 670128 1910042 415567 608737 694041 831921 616735 629053 619428 435501 457243 458373 985729 246432 2453950 200778 398073 428663 915562 1801702 4-Hydroxyphenyllactic acid-3TMS 4-Hydroxyphenyllactic acid 212665 195153 168738 284593 183932 162642 374369 255286 328607 247305 378440 330435 327970 315122 306285 312011 304186 317212 306909 221307 407048 207583 266106 372786 394011 798405 5-Aminovaleric acid-3TMS 5-Aminopentanoic acid 21002 27003 40499 36864 40819 33695 43737 33170 40625 172396 46445 65668 57056 58043 51875 41656 75441 64208 23448 31729 35422 31924 46542 17887 157243 34070 5-Methoxytryptamine-2TMS 5-Methoxytryptamine 119442 110332 110677 212897 168927 128045 275542 70914 144055 200067 164808 177058 153730 151930 154152 133436 166492 147779 128541 101231 350756 80572 89680 120386 143275 223233 5-Oxoproline-2TMS Pyroglutamic acid 31348811 31998729 31060666 36767674 36444512 32027848 36021036 26267500 35169961 34882961 35897868 34595178 34716529 35017820 35758539 34929975 36350064 34527661 34434351 33975776 38674865 34216706 33275826 30564756 31722240 37529693 Acetoacetic acid-2TMS(2) Acetoacetic acid 43009 39636 44233 42913 42235 39159 48219 41560 41070 39580 44846 43782 35089 39831 38232 37159 36914 36875 35018 34970 54163 39081 35693 37441 53013 57428 Acetylglycine-2TMS N-Acetylglycine 24495 22367 25725 35938 31758 29940 65048 31996 54134 67404 30233 33243 31505 45615 40834 47289 19066 20174 13460 20230 35021 17465 27062 24331 23684 33139 Adenine-2TMS Adenine 303960 341150 467164 500643 338049 350352 627424 192326 389416 444124 606532 417268 503601 354955 377076 348265 257074 299147 196467 240068 507621 200408 268067 363020 369853 632674 Adenosine-4TMS Adenosine 276097 317004 455762 13561 318609 459810 1234474 236828 495914 609974 785224 506760 507305 416411 430473 348316 569161 370245 206196 303179 370894 228114 375774 299929 567650 579733 Adipic acid-2TMS Adipic acid 93726 71748 197539 77216 64713 82425 218075 85313 127952 81722 88716 78512 82988 68788 73415 71442 39169 24116 31051 21518 48804 25425 29069 36883 42328 36411 Alanine-2TMS Alanine 1953713 1880343 2255442 2986646 2377415 1590630 4490937 2847733 2357744 3344898 4464499 4506120 4298531 4314360 4436682 4391863 6006784 4675256 5512240 4028172 6066451 4028418 5541426 4487912 6563251 7535138 Arabitol-5TMS Arabitol 17448 19854 17605 37891 32777 17891 8565 8534 13649 14151 29678 30282 29999 26857 29641 30253 33846 25574 33497 20119 35330 19048 23941 26208 18508 45972 Arachidonic acid-TMS Arachidonic acid 2489604 2314397 3277361 3908744 3409605 2505093 6160684 2121653 3334731 4130247 4736742 3617028 4238561 3287075 3368016 3560119 3229127 2291770 2656038 1770679 4541496 2569778 1970335 2787016 3434264 5404842 Arginine-3TMS Arginine 44826 45384 45175 59490 50111 43689 100403 54120 35650 39406 119709 71860 70851 67599 63590 68850 48764 42785 167446 40446 208318 31768 34717 26832 50474 136650 Asparagine-3TMS Asparagine 157650 205275 93879 182746 154954 155604 134937 179756 81160 90925 198802 191783 197581 216505 233009 217028 154265 163629 858071 111222 740374 199948 109396 126594 111644 381997 Aspartic acid-3TMS Aspartic acid 13643265 17472118 20488747 21324492 16777994 17874888 15245589 10959698 8092247 12274399 20020913 19090057 18721698 18637715 18548671 18172232 21914576 20984511 20869406 20403458 27307216 19390623 13472280 6047003 10475962 13260281 Benzoic acid-TMS Benzoic acid 1100511 1587614 1027810 1576565 1818685 2442695 1536231 1027850 1341812 1521037 1710442 1353763 2230885 1596414 1535209 1979517 1351163 1288637 1071366 1281130 1538209 1773167 1251248 845301 1641060 1473621 Cadaverine-3TMS Cadaverine 77518 86207 115069 156732 164829 68774 130439 83708 87425 136917 105733 134752 87098 120406 126675 115716 139434 100186 104041 82543 138397 72167 80193 110517 117988 286647 Caproic acid-TMS Caproic acid 263430 233520 453052 219481 284958 424677 368764 275332 265092 247663 368519 273694 387036 287116 288895 308049 307178 327570 228400 287650 540112 346609 225846 258715 375601 482866 Cholesterol-TMS Cholesterol 3431135 3736563 4148953 5318323 4245832 3936251 3224514 1574837 2544010 3281232 4156741 3610970 3533929 3269165 3236660 3168253 3600043 3069480 3339969 2917812 4311742 2642845 1623371 2002253 1880807 2514241 Citramalic acid-3TMS Citramalic acid 98962 81246 120656 86457 68193 72783 94663 60198 37133 105165 126890 113687 110636 101642 103650 105367 98482 106799 129886 87769 245529 119448 121989 79832 84213 148898 Citric acid-4TMS Citric acid 359630 362916 441493 462132 400503 390553 433440 79647 194813 379541 459624 416144 408449 391580 378352 362980 373876 308197 321294 337855 1102210 250410 208612 242242 206007 517857 Creatinine-3TMS Creatinine 121420 141690 229844 209122 167376 199626 155134 43842 57849 79410 136188 117619 134936 109079 102989 111877 81428 79603 100258 78922 147318 79315 30464 45723 55948 83194 Cystathionine-4TMS Cystathionine 2000 1718 3717 5309 15528 2689 8149 1454 5579 10112 16191 9649 11655 14835 14329 11823 16986 16279 22036 5599 47708 4612 23296 13393 16200 27771 Cysteine-3TMS Cysteine 3659793 4576439 5663718 5029906 3597810 6090041 5946424 2366438 3379168 3304765 4796124 3214245 4273761 2940600 3020487 3156633 2739133 3810301 2394696 4479642 6365632 5049042 1427364 1171290 1422005 2909667 Cytosine-2TMS Cytosine 22354 27039 37979 42109 37697 29528 25987 10911 16559 21088 49610 31484 34612 25781 31742 29859 28739 26415 28870 21662 77775 23496 13753 13279 16747 31697 Decanoic acid-TMS Capric acid 196687 140668 189410 155871 159890 192076 203068 139402 172216 163079 151203 150681 158879 172836 156923 155146 183778 177067 133955 169472 192495 239275 143450 136968 174941 166254 Dihydrouracil-2TMS Dihydrouracil 153116 206645 230197 344143 206669 196853 147183 22379 99743 130473 151433 151898 149150 154791 153413 152653 192608 184476 11677 134623 69617 152966 79584 124923 99680 25148 Dihydroxyacetone phosphate-meto-3TMS(2) Dihydroxyacetone phosphate 3065931 3651488 5429838 6840064 5609221 4670536 5286121 1842234 4855338 5143005 7051809 6124496 5974193 5544658 5661806 5263755 7806003 6140643 3590554 5192008 7033671 4881366 4392505 5293609 6819072 5387849 Dimethylglycine-TMS Dimethylglycine 134492 156344 205311 205741 342714 137819 211022 123455 177186 188716 260658 206657 209718 197010 207943 187195 218655 163308 138528 173654 222265 184017 206456 228980 280468 279270 Docosahexaenoic acid-TMS Docosahexaenoic acid 290737 288332 383094 467618 368697 309427 770296 275351 427091 508704 587237 427965 401939 372539 390841 333038 321362 219416 277376 159255 378439 160294 188350 286840 260770 575404 Eicosapentaenoic acid-TMS Eicosapentaenoic acid 2488874 2364142 3329725 3986638 3460542 2565979 6257183 2153782 3400002 4220756 4843722 3680019 4340923 3347153 3427583 3633821 3297842 2315654 2724580 1796064 4608325 2618351 1994568 2807640 3513309 5490780 Elaidic acid-TMS Elaidic acid 412296 411306 452752 590647 499522 456323 790009 379115 426609 475982 705812 549100 622987 571666 594715 590254 706821 421671 669908 470083 847759 615129 346114 418647 604168 877218 Erythrulose-meto-3TMS(2) Erythrulose 18772 8071 6471 36902 33036 3040 6206 1013 5597 8609 12329 36254 7933 22132 18262 11745 74482 19310 41719 11008 25731 8963 53537 35350 34443 21383 Fructose 1-phosphate-meto-6TMS(1) Fructose 1-phosphate 22923 30975 16259 64134 53693 19851 55717 41624 39959 40355 97989 88433 94031 77057 80063 67901 92269 57899 118695 52058 227388 50959 74664 132982 110552 317899 Fructose 6-phosphate-meto-6TMS Fructose 6-phosphate 13817 15921 9582 29032 40852 12006 41009 7195 9347 18344 88375 70190 70019 56995 55931 48412 55341 34208 142324 27874 282330 95858 31889 58844 49953 295444 Fructose-meto-5TMS(1) Fructose 91959 101368 60149 190290 224426 73832 174207 264039 132695 137204 983323 897006 887495 792204 800947 760315 281155 200351 2182993 148434 1818962 384418 314194 558084 441511 10871900 Fumaric acid-2TMS Fumaric acid 1159555 967368 1225086 977914 815487 993561 1927826 1038831 764894 1364357 1557136 1451624 1356672 1336164 1326206 1242149 1124628 1038635 1297967 823934 2281544 1107077 1194065 873404 1148645 1699950 Galacturonic acid-meto-5TMS(2) Galacturonic acid 2114429 2695479 2811536 4175995 4246160 2345281 11383075 4341609 6331933 9978385 8627990 7775177 7619779 6812274 6822555 6815742 7001359 6474874 3159722 5386728 14654908 3989214 7312097 8909500 6306648 10880997 Glucaric acid-6TMS Glucaric acid 10951 9766 12714 21533 16459 12499 34383 13271 20638 48860 31694 24202 24991 24370 23795 22697 21198 19398 10623 20955 59128 12619 19911 25869 14252 35916 Gluconic acid-6TMS Gluconic acid 82673 83208 71304 130270 101886 64613 195352 181135 146678 125761 299029 183435 255372 140167 143080 170345 89297 120059 129829 88512 379034 60740 136159 191727 280380 397588 Glucono-1_4-lactone-4TMS 7047 8799 8990 22718 13790 7688 39679 16957 25582 40630 36649 23754 29480 33755 32195 36266 36141 28276 16145 21634 82935 40125 32455 44482 39184 58006 Glucosamine-5TMS(1) Glucosamine 222250 217400 153460 534503 422135 163741 418065 351842 550248 537099 831836 719479 734881 633472 640105 625283 667168 496118 740093 364794 831234 405280 975118 1172981 1350261 2000775 Glucose 6-phosphate-meto-6TMS(1) Glucose 6-phosphate 56848 71988 39837 287684 363758 48904 36211 15981 33191 64001 786207 591599 571925 448166 445166 328623 487558 378839 1504343 317205 3416724 867245 316434 434501 480070 3001419 Glucose-meto-5TMS(1) Glucose 32148178 31631336 29453853 37236076 36075002 29556637 35705647 34763208 37343008 37000405 39908769 38583274 38732894 38360413 37909791 37064850 38428601 35996584 38824354 33974336 38828745 34357141 40344784 40962379 41326396 44906888 Glucose-meto-5TMS(2) Glucose 20484456 19578351 14873435 28425604 26221566 15448679 25505125 24910354 28167547 28256393 31581001 30527489 30391896 29609729 28710446 28424061 29535367 27220759 30385221 23951203 30574302 24079251 31658868 33326154 33236878 37277457 Glucuronic acid-meto-5TMS(1) Glucuronic acid 47124 51479 37724 79193 161456 40408 143259 64347 130897 149589 325732 225406 238731 172917 151232 109258 270965 162736 328721 121966 359399 142743 266284 399006 205341 859665 Glutamic acid-3TMS Glutamic acid 4736482 5659580 7181241 9601911 7408202 7241191 5218421 9735732 2189049 5139041 7472604 6612215 6432445 6177285 6144363 5844950 7105105 7715136 6179903 6929900 15604998 6098746 2941561 1871096 3338249 3763815 Glutamic acid 5-methylester-2TMS 69165 72493 58811 58271 70374 82166 151787 56451 83681 55192 87563 76182 71215 68689 66883 67030 90524 45054 50787 52833 64793 72340 35881 59704 53628 81798 Glutamine-3TMS Glutamine 1430886 1212190 1468804 3531337 5002710 1893718 4450759 329733 5750070 4671786 4259336 4023996 3920370 3795027 4039746 4285267 5709131 3455094 3244861 2642948 10561054 1651828 3513195 4048340 4201411 9596240 Glutaric acid-2TMS Glutaric acid 81888 66559 103485 71825 79199 83040 154307 118473 148801 160306 104554 92809 88317 85168 85827 88353 35716 42039 27040 29356 42123 27073 32177 49799 64262 38426 Glutathione-nTMS Glutathione 8700321 9088172 6526366 11172651 10932774 7230976 8294055 3180290 5366644 4746982 9034668 9037361 5756257 8875257 9142694 7719450 12166610 8139492 9052686 10646023 4182470 7329812 8382199 7787606 2719298 7306861 Glyceric acid-3TMS Glyceric acid 1532353 2127951 2742055 2068696 1012808 2903526 1934137 1161261 857699 1081146 5401061 1462662 4672126 1102826 1081708 1387212 496017 2383709 336913 2291807 6214677 2179719 399728 320377 1083999 541846 Glycerol 2-phosphate-4TMS sn-Glycero-2-phosphate 110888 92464 133990 153379 127947 128130 153730 90810 112286 133854 147879 140197 147024 134411 157758 136808 158307 131730 126021 134849 173487 207824 96169 116044 107955 147740 Glycerol 3-phosphate-4TMS sn-Glycero-3-phosphate 6869724 8246793 12327772 15535897 12893546 10619682 11860539 4046635 10840166 11567975 15706770 13807478 13690306 12648371 12734321 11846425 16739787 13873575 8272266 11804202 15453121 11003666 9856419 11992563 15223813 11907020 Glycerol-3TMS Glycerol 1715652 1871108 1290785 1617967 1498958 1721487 4096650 2655497 2795883 1736367 2725181 2354323 2783899 2473418 2305725 2559931 1500867 1443190 2364941 1228027 5771117 1988790 1345561 1668700 2424455 4824141 Glycine-2TMS Glycine 3021190 2686614 3624271 3809832 3596833 3416328 8356132 3719716 5113792 4516887 6848373 5158506 6421549 6323134 6557777 7237781 6276357 5395519 6584650 4618302 4872969 5312243 6136076 6141063 2416984 4029593 Glycine-3TMS Glycine 22544819 22380896 22845144 22736427 21809240 18108048 28077896 24244159 25342346 22131870 22624741 24843560 21333486 22352195 21843174 17113220 21609988 17669169 20889284 17129802 30588257 16051166 22318921 18021303 27122021 30352688 Glycolic acid-2TMS Glycolic acid 1087933 1490910 2091616 1516172 936267 2032001 1715898 1025749 984266 1060803 2361256 1296354 2114799 1129345 1103893 1245741 819321 1390952 659518 1459960 2688044 1419892 713461 744511 1213599 1186495 Glycyl-Glycine-4TMS Gly-Gly 30651 41156 42919 49867 50367 40649 62810 40927 45133 43178 49211 45301 43885 53422 49805 42921 43631 37771 98500 33737 137823 37073 30056 31264 39452 95554 Glyoxylic acid-meto-TMS Glyoxylic acid 135397 152049 191616 198713 309986 137977 198811 116637 167718 176628 246390 191056 195430 184889 196949 174714 203470 155719 134204 165648 222316 177149 192087 209844 253474 263269 Guanine-3TMS Guanine 21410 21270 21735 23237 19304 21435 33868 12545 15062 15001 32902 20079 20888 17702 16107 15359 11167 12979 14211 12183 23599 10925 8632 11528 9518 17950 Guanosine-5TMS Guanosine 12611 11406 25126 17163 23817 17857 141037 63558 31832 24704 37641 32458 26888 29017 29305 26365 21914 9213 34471 12628 35579 9804 13510 12032 25653 55024 Histidine-3TMS Histidine 231960 313173 214471 777337 1060226 275799 958396 240332 347044 569564 765314 673316 518860 806115 1130892 767766 863861 408262 1690900 393041 3827808 456164 647536 535197 259736 2184936 Homocysteine-3TMS Homocysteine 24351 26394 20884 29088 25338 23707 57093 42840 31594 22241 39154 39028 47326 48596 44147 42015 26196 27107 69426 17771 185877 25867 18482 28379 41229 146829 Hypotaurine-3TMS Hypotaurine 258193 283105 398671 606162 623815 209192 504232 266887 270818 505464 373365 522269 320048 441693 439281 368819 512374 317773 342369 290876 470547 236667 276827 433003 425410 1021813 Hypoxanthine-2TMS Hypoxanthine 4492508 4422653 3303586 3394747 3554202 3204502 18298353 11459754 3596432 2698317 6502975 5819465 5573154 5243784 5315890 5051752 2053771 1523014 12855253 1233207 14706340 2186306 761430 1801410 1865836 13487690 Inosine-4TMS Inosine 3713545 3809734 3450079 4234297 4847461 3434765 21196226 10799408 6250216 4438612 7530916 6689732 6586638 6277781 6379539 6158534 3067511 1963364 7624461 1442336 10271614 2699687 1351037 3344790 5638758 18157722 Inositol-6TMS(2) Inositol 5160136 5235683 7319963 7811261 7261453 4491292 10996173 5182724 7464973 10237252 9017555 8123114 8168572 7754711 7819711 7507385 7789810 5192426 5718895 4364727 8376317 5275313 6002009 8259405 8217091 11101805 Inositol phosphate-7TMS Inositol phosphate 1612828 1712122 1655811 1969154 1442072 1512963 2913768 1478239 1877933 2095361 2229748 1991536 1704085 1904837 1923273 1934401 1502257 1494004 1969671 1310616 2053145 1497575 1348979 1507229 1075288 1937001 Isocitric acid-4TMS Isocitric acid 20978 17696 20949 27030 22030 18989 24046 7727 15033 23282 22373 25788 23733 21352 23922 20657 19115 18191 21711 21338 47249 17273 14050 21805 13208 37288 Isoleucine-2TMS Isoleucine 8737394 9717078 9223357 12314568 10910797 9613629 17704283 10293214 9968928 10043150 12822333 11401280 11291561 10986635 10981940 10734178 8974347 7162560 14202006 5662509 19612844 6327144 8308759 8482784 7763786 16482637 Kynurenine-2TMS Kynurenine 1800940 1848981 2575828 2749209 2594951 1616846 3810198 1818828 2608671 3572926 3141075 2847842 2871382 2738329 2846717 2730498 2798027 1895256 2078012 1576020 3051710 1974103 2169499 2963968 3032086 3943437 Lactic acid-13C3-2TMS Lactic acid 3089498 3322293 2904354 4804870 3193987 2716411 3546376 2447971 3571631 3052306 5676251 5347976 5063418 4945353 5024175 4885416 7605258 5769153 4931659 4859586 6345152 4655125 5528124 6625978 6786418 9088748 Lauric acid-TMS Lauric acid 136519 102278 127238 127855 125153 138303 205395 143486 137242 137551 173488 144299 148871 143927 150715 164095 145997 133654 121906 145698 191207 163054 136551 114717 171211 205726 Leucine-2TMS Leucine 20578897 21821923 19807665 22577667 21971698 20734493 26398786 23673702 21961675 20121090 23677347 22973346 22727813 22375989 22446682 22174303 19721874 17800497 25883233 15916998 28110480 17864788 17819433 19469657 18183716 26177973 Linoleic acid-TMS Linoleic acid 1342624 1323536 1283173 1762408 1814772 1607973 3035769 1559148 2451192 2069838 2228098 2063413 2351448 2072582 2193188 2327475 1948428 1490007 2049836 1478679 3179306 1627880 1537805 1975911 1911147 3894115 Lysine-4TMS Lysine 1011545 1154876 1744933 1884149 1567186 933676 3964165 1905196 2070025 1946127 1994143 2135400 1797456 1763296 1806593 1244635 1496828 909437 2235283 939966 5006762 654212 1473152 1364195 1537379 4361885 Malic acid-3TMS Malic acid 483778 401693 594014 426775 328378 348246 472700 295741 168000 511447 632855 566352 558711 517227 503218 507938 480382 516673 628098 429405 1243481 557543 625293 375001 373497 701575 Mannose 6-phosphate-meto-6TMS(1) Mannose 6-phosphate 63997 82058 45795 303753 231174 50959 116421 79072 87020 81051 405003 336599 325104 278790 268082 231702 275625 192857 767731 184631 1628033 447661 205517 219044 247293 1240068 Mannose-meto-5TMS(1) Mannose 1142494 1032797 677781 2740597 2667934 761206 3291303 3202165 2472692 1829111 9834906 8432437 8185512 7285721 6961326 6308948 3753238 2357746 21172114 1480411 19519349 3183597 3756553 8583762 5209672 29241689 Mesaconic acid-2TMS Mesaconic acid 23783 25117 32541 26858 27588 25282 24895 13611 15330 19838 27704 22880 23427 22967 20934 21002 23211 21218 25409 18950 32689 20843 14437 18134 13938 17463 meso-Erythritol-4TMS Erythritol 16570 13241 12302 35033 26025 14548 36118 21688 26068 24411 33829 32474 31540 32701 31314 35041 30292 15602 23395 16453 38574 19494 20209 35372 41783 59697 Methionine-2TMS Methionine 91702 101825 50356 92932 78644 61160 78408 46908 38273 37683 95369 95225 77503 84694 79158 62944 85143 48863 334921 44314 346774 53540 40699 56198 29284 191549 Myristic acid-TMS Myristic acid 241821 239749 269580 228914 258856 295732 445081 277732 334191 248376 339603 310840 319002 299182 342316 365378 291813 244318 304191 255096 409900 341900 231596 254949 308871 587827 N-Acetylaspartic acid-2TMS N-Acetylaspartic acid 20409 21872 32960 30435 16309 23142 2182 1097 877 2050 19082 13316 11990 8510 11492 8641 13470 9025 11571 11298 28243 8927 983 1656 2693 2889 N-Acetyl-L-alanine-TMS N-Acetylalanine 58829 62780 31405 38755 48393 40915 61410 54002 26104 19124 56674 49766 47047 46720 50521 42794 33761 30569 101582 28724 139027 46803 18548 21276 18018 96378 N-Acetylmannosamine-meto-4TMS(1) N-Acetyl-mannosamine 83170 214664 99815 87937 55381 66564 464025 644033 101483 67517 172108 139848 150710 123068 128256 98965 62295 50496 162677 23917 267951 43544 30454 36841 23077 226559 N-Acetylserine-2TMS N-Acetylserine 11118 14029 13990 20374 14142 13668 16633 11949 11576 26885 24937 24431 25330 22530 18605 20177 22278 19455 20106 18324 63288 17291 30694 26758 13937 35446 N-Butyrylglycine-TMS N-Butyrylglycine 18576 19661 18464 22875 17713 17570 44762 27738 45090 31856 27617 22229 24090 17978 19257 16598 10758 6446 6779 6915 13030 6084 7383 12633 10465 14712 N-Formyl-L-Methionine-meto-TMS N-Formylmethionine 4813405 5022419 6667176 6302332 5500967 5652196 6403455 3303797 4401567 3360005 4241803 4271293 3941956 4177804 4331217 3900136 3394233 2822121 3854389 3315494 4659065 3004476 1674549 2450291 1369798 2705254 Niacinamide-TMS Niacinamide 7596472 7242585 8026714 9274529 8153211 7211015 18992845 7341532 11467575 10959580 12284472 10549442 10367891 9962199 10341142 9817239 9043691 6861355 8437133 6411083 12553996 6227246 7457421 11372754 8472231 19402522 Nicotinic acid-TMS Nicotinic acid 13790 14024 14078 14313 17586 12713 42540 37774 23499 33415 33445 28326 28692 25762 28084 27490 27979 23565 29637 19239 38061 19016 31025 26800 21080 1474 Nonanoic acid-TMS Pelargonic acid 736959 456876 641528 432109 529928 666323 661622 341802 521363 460617 519221 441636 518050 659393 604629 524161 755148 628183 484732 633161 607529 924445 419783 501770 588533 558346 Octadecanol-TMS Stearyl alcohol 41843 29580 51726 44976 29090 1599 51943 28550 38894 37715 90265 75050 70241 74759 119075 145723 44087 80031 44005 37689 39020 46790 43249 25051 66580 39846 Octanoic acid-TMS Caprylic acid 230842 191434 220161 144614 228828 219557 220959 111046 177811 160807 197643 177304 150395 239614 235736 226639 227024 239259 185184 278332 213904 365348 133268 178474 202500 208085 Octopamine-4TMS Octopamine 125187 187489 60190 109303 109855 67243 217992 206724 129255 40649 114923 162546 111652 114644 118476 68729 69711 52451 237243 35041 513965 51782 43830 73234 62520 380312 Oleamide-TMS Oleamide 12690 18636 12973 27127 29262 18972 21392 5324 10979 19362 29863 25852 29436 20201 23429 21649 34631 15257 18814 11567 57739 11426 14472 16497 42568 30151 Oleic acid-TMS Oleic acid 2390728 2273599 2235098 3047229 3088954 2531855 5740186 3234241 4340770 3058360 4272740 3707584 4107165 3530049 3601222 3775366 3508667 2305435 4155067 2335835 6353501 3054282 1993904 2699215 2847400 7709603 O-Phosphoethanolamine-3TMS Phosphoethanolamine 10106029 11905511 16360982 18387684 14224256 16217894 3192128 932641 1788457 2423868 8036629 7348234 6395615 7149612 6728957 5927352 6910397 7208623 7437301 7087632 13336253 4515122 1047923 1080523 673710 940090 O-Phosphoethanolamine-4TMS Phosphoethanolamine 502218 616381 600429 847111 663651 406420 187442 69075 96075 125339 227277 310776 172206 194172 227143 114924 224963 163740 165259 168010 943816 106616 41600 33597 102915 174674 Ornithine-4TMS Ornithine 5482417 5618006 8595408 7083335 8246202 5305641 12131741 6831108 6169617 6075635 7769662 8050549 6848013 6784383 6978133 4848784 6089047 5500446 9194080 3865736 19921998 2733433 3848510 3469885 8252330 11879458 Oxalic acid-2TMS Oxalic acid 1170818 1299487 1502254 1545848 1243328 1510294 1247420 674383 847249 893787 1120682 1105939 1001760 963554 975717 1016814 742017 1076029 477608 1127509 1388187 1092716 514968 402946 691296 406547 Palmitic acid-TMS Palmitic acid 15322821 15024193 16576770 18563977 18331064 17264081 23735809 18005816 20473257 19485257 20792070 19797998 20374230 19097836 19475802 20388695 18595562 15102620 17829659 14268207 21724300 17963977 15118635 18342136 18017953 23681078 Palmitoleic acid-TMS Palmitoleic acid 266854 218447 265257 185411 164147 223842 636014 387017 393670 183262 398816 333924 353695 302714 312811 302778 322277 146056 377873 196478 392017 326147 147037 268707 204372 776222 Pantothenic acid-3TMS Pantothenic acid 42228 44617 85416 97069 53739 43522 178609 115053 71256 150693 112895 95718 101884 89343 88885 81655 64060 57318 72945 40265 101507 34539 66469 79869 89124 181765 Phenylacetic acid-TMS Phenylacetic acid 22894 24729 27298 23488 20020 26517 24835 19586 12694 23954 20318 18558 18970 18988 19714 20225 9787 11711 12422 13461 27742 17002 7222 6410 11042 11312 Phenylalanine-2TMS Phenylalanine 3030917 3513776 2553563 3824405 3426491 2820470 5471767 4271778 2708800 2198523 4436635 3939272 3917684 3642144 3677193 3450984 2787429 2497269 7645369 1805074 12070909 2124052 1806491 2259785 2079536 6516661 Phosphoric acid-3TMS Phosphoric acid 52849129 53492781 53940964 59592543 54564267 51224923 63899340 46240723 53949879 58373311 55586115 55559213 52191644 53104145 54033337 51920746 51858783 47585629 52006885 45695862 51563457 42032943 44716949 49121822 39797729 51987482 Proline-2TMS Proline 14577257 16495449 15734131 19961029 18209724 16139267 21677707 20533319 13480839 10465818 122250 19944079 19782423 20400522 20169183 20609024 18985912 20516186 24533927 18523749 26955465 17833175 16861756 14123066 19326444 25236648 Putrescine-4TMS Putrescine 1473322 2327572 4366427 3330534 3265245 1924581 126325 24720 87855 68497 809183 1003041 686890 705247 752903 432243 1027058 382781 634033 612513 1960943 343781 39750 47973 86764 101755 Pyruvic acid-meto-TMS Pyruvic acid 43769 42878 25463 56330 53138 22273 46909 21716 48801 48156 38554 45393 32498 42528 48240 34634 73415 35826 56287 30249 48311 33244 41363 90456 34274 105989 Pyruvic acid-oxime-2TMS 160487 170144 206927 220662 201435 203388 169107 110442 155105 187146 173912 176628 184649 180982 179944 179591 192840 168176 168200 152837 173783 115139 134265 150129 149054 155133 Ribitol-5TMS Ribitol 26399 26278 25272 32177 33448 26624 706047 561376 98681 60924 154444 137082 133225 125352 124216 123505 30938 21793 97501 18915 86527 25715 31519 68577 55648 454353 Ribonic acid-5TMS Ribonic acid 193382 201540 152276 243005 234436 172220 460681 286928 138071 194258 382500 352939 328984 318953 324083 349861 226014 210909 444106 204975 696207 203869 132977 138253 137119 670492 Ribose 5-phosphate-meto-5TMS(1) Ribose 5-phosphate 32735 43324 65423 71468 51641 34888 79737 26240 78034 126037 73837 63771 60774 57876 63053 50001 75804 44206 27022 34415 26565 24896 69420 59837 71517 54171 Ribose-meto-4TMS Ribose 59063 56551 57430 87101 64488 61671 183782 80318 103496 104878 102642 91203 99375 88001 80807 74899 70389 47771 76410 39930 89591 46184 52466 76223 95214 419203 Sarcosine-2TMS Sarcosine 563258 466787 682431 427827 485441 570057 562286 519162 530126 528221 745535 662159 492598 502431 506794 431609 515814 458348 428644 497647 918070 444893 534188 529201 492500 539760 Sedoheptulose 7-phosphate-meto-7TMS Sedoheptulose 7-phosphate 114110 79788 110205 221369 257074 77651 420777 65493 99523 190617 259368 250945 228985 192323 194337 165000 247672 135966 157000 147735 320883 160383 182939 163963 205919 497513 Sedoheptulose-meto-6TMS (1) Glucoheptulose 65213 57377 49525 144987 192034 52859 852919 436658 248904 166889 481161 398637 404590 368611 358234 346662 239708 112167 455431 98025 364217 145962 275067 468669 295002 2634129 Serine-3TMS Serine 9707889 10276527 6598486 9781207 10993888 7824203 19042684 19232222 9176409 10665525 17004393 15972614 15501888 15340612 15378694 14565718 10836498 9762587 23221665 7716241 26702617 11299538 11009736 8555701 6688791 22115005 Sorbitol-6TMS Sorbitol 200073 174700 131197 360414 307414 112881 665469 654436 533455 298868 912550 827868 803052 769616 749337 722305 344560 317849 598583 166489 573785 229745 492144 1494980 865860 7310476 Stearic acid-TMS Stearic acid 9973252 9681011 11396624 13901942 12632788 11436525 19558004 9796189 13613169 14475258 15946980 14641176 15396200 14657322 15048653 16594132 14612969 12007734 12593662 11102029 17924783 14417972 12307938 13818941 17600807 19783073 Stigmasterol-TMS (Putative) Stigmasterol 522650 672813 866052 1049304 1441337 1596116 150138 245946 1080845 1046666 113519 949930 1486900 1678602 2116107 2486231 1740958 1655947 1777242 1962655 2763676 2125817 1822036 1807692 2575843 2944794 Succinic acid-2TMS Succinic acid 1459665 2057797 5314876 6549167 4009315 3281668 2543891 1155913 3221956 8303540 5151701 4629557 4519674 4354880 4342122 4384020 5517779 4882798 1219772 3326628 2918143 3439599 6566164 3663699 5395389 2754975 Sucrose-8TMS Sucrose 176515 285063 217047 239728 790324 241112 845504 202703 5409029 193283 585260 564977 482605 581837 576745 563443 230113 366150 198321 1268733 629261 491332 464190 6615273 343017 381094 Tagatose-meto-5TMS(1) D-Tagatose 117406 101640 73212 199484 153327 91164 155697 97593 129947 128017 144559 175863 118981 157665 162263 157454 111113 111704 98986 99375 149841 137369 113597 106948 109502 176413 Taurine-3TMS Taurine 33571063 34088239 36501643 35724945 34731592 35185533 36118839 30582901 33016639 31161563 33104433 32827582 32363252 32942720 32838059 32149687 31142627 29970700 31770369 30952063 33849143 30218784 25838855 28957470 24321715 29369726 Threonic acid-4TMS Threonic acid 4282719 5547641 7306269 5714177 3877611 7828714 7140029 2842637 3768217 3742588 5713283 3595052 5113916 3174970 3190902 3520716 2434659 4717787 1282944 5604438 7416606 6434210 1267086 808232 1585424 1331796 Threonine-3TMS Threonine 3372581 3640560 2500383 4185906 4122637 3332828 6864810 5210178 3338721 2413119 5270914 4788753 4706287 4496808 4479082 4214948 4310310 3806764 8420578 3063563 15028016 3355652 2488345 2297616 2316042 7341016 Trehalose-8TMS Trehalose 1676995 860239 549514 1469583 2862967 692751 5415396 3245292 3108897 1423231 19485839 15887542 15797957 13281955 12767901 10685600 10851877 3156325 38432876 2509832 29825411 5865162 3267249 11737211 8551536 45297511 Triethanolamine-3TMS Triethanolamine 21734 204273 12628 18081 48789 6776 55380 11393 6119 6853 41425 39403 38927 36979 40811 36745 11914 8996 6130 10803 11529 362167 4119 6770 20526 14889 Tryptophan-3TMS Tryptophan 817996 893355 770620 1437026 1194427 894943 2042838 753607 947077 769095 2057506 1502121 1722665 1925603 1943428 1958121 1994294 1533516 3418637 1054590 8080391 1136750 1363803 1480840 1967155 4765390 Tyramine-3TMS Tyramine 4125973 4672590 7021775 7486431 6342274 3893540 14752104 7380514 8171989 7827853 7713272 8421331 7092803 7336871 7388384 5242696 6181117 3722178 8666542 3922080 17854839 2695079 5905169 5531744 6759355 15981502 Tyrosine-3TMS Tyrosine 5043982 5400266 4056868 6357442 5386244 4389150 15123052 9746887 7081789 4308713 10651475 9543758 9847273 9888045 9830422 9302318 6538471 6691466 18675251 4742537 22494999 5625001 5654081 6755349 7572368 19744608 Uracil-2TMS Uracil 404547 519697 252466 379016 456716 336546 647857 730419 178853 138151 485275 419504 411684 399819 400583 400952 164353 235136 1033286 156109 1056003 267694 52655 96198 111521 900423 Urea-2TMS Urea 31139638 32371010 31550805 33625624 33868519 32229971 34272776 29881111 33168142 34713664 33415777 32588285 32640510 32079029 32669245 32006629 31201076 30607799 30994553 30008819 34524908 27871372 29883181 30594985 31435131 32736544 Uric acid-4TMS Uric acid 338971 420870 521995 1080059 618502 433103 275882 74066 451718 528891 500423 456960 450899 421876 424163 417329 570755 415380 27966 253582 120953 193018 389592 322839 407718 141011 Uridine-4TMS Uridine 68245 52319 50316 90540 74217 68383 214809 87595 80272 52482 88784 95169 89108 99159 115277 120319 59016 47974 117075 37209 266751 40861 42697 53104 11952 272383 Valine-2TMS Valine 15725430 16524656 15985182 18160796 18139683 16741704 23418932 19542111 18228172 18503966 20362714 19620319 19558862 19601234 19384684 19140394 14961464 13768334 22564575 10427669 25412242 12886035 16626312 17223615 16056011 23469949 Xanthine-3TMS Xanthine 2494661 2618509 2074867 2172674 2160942 1823289 8662079 4961034 2843928 2201208 3597291 3208045 3069684 2873736 2878250 2664060 1704402 1171862 3948829 837395 4944636 1262731 807339 1638774 1939225 7485276 Xanthosine-5TMS Xanthosine 81142 102149 67250 117711 93273 54393 336954 281566 285122 164621 256417 200017 201130 173491 178112 160455 119728 86840 106367 42560 157919 47904 141656 244160 372642 600325 Xylitol-5TMS Xylitol 98963 96750 81980 165535 145953 76052 230267 148053 152248 177809 216389 203120 198377 195597 201515 197592 140833 125340 153255 99367 233936 107079 154680 260603 247533 562216