Metabolite_name RefMet_name HT29-TX08-1 HT29-TX08-10 HT29-TX08-2 HT29-TX08-3 HT29-TX08-4 HT29-TX08-5 HT29-TX08-6 HT29-TX08-7 HT29-TX08-8 HT29-TX08-9 HT29-TX05-S-1 HT29-TX05-S-10 HT29-TX05-S-2 HT29-TX05-S-3 HT29-TX05-S-4 HT29-TX05-S-5 HT29-TX05-S-6 HT29-TX05-S-7 HT29-TX05-S-8 HT29-TX05-S-9 HT29-TX05-E-1 HT29-TX05-E-10 HT29-TX05-E-2 HT29-TX05-E-3 HT29-TX05-E-4 HT29-TX05-E-5 HT29-TX05-E-6 HT29-TX05-E-7 HT29-TX05-E-8 HT29-TX05-E-9 HT29-1 HT29-10 HT29-2 HT29-3 HT29-4 HT29-5 HT29-6 HT29-7 HT29-8 HT29-9 Factors - Treatment:Condition-1 Treatment:Condition-1 Treatment:Condition-1 Treatment:Condition-1 Treatment:Condition-1 Treatment:Condition-1 Treatment:Condition-1 Treatment:Condition-1 Treatment:Condition-1 Treatment:Condition-1 Treatment:Condition-2 Treatment:Condition-2 Treatment:Condition-2 Treatment:Condition-2 Treatment:Condition-2 Treatment:Condition-2 Treatment:Condition-2 Treatment:Condition-2 Treatment:Condition-2 Treatment:Condition-2 Treatment:Condition-3 Treatment:Condition-3 Treatment:Condition-3 Treatment:Condition-3 Treatment:Condition-3 Treatment:Condition-3 Treatment:Condition-3 Treatment:Condition-3 Treatment:Condition-3 Treatment:Condition-3 Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control Treatment:Control 2-hydroxyglutarate+Na 2-Hydroxyglutaric acid 11303 11672 5505 5388 13504 13124 9377 10440 20536 17440 21066 20269 15874 17765 21453 24468 17910 33522 18784 20491 5887 21721 13156 12301 7276 12723 5520 10846 21692 25482 17669 6247 4689 6039 10725 11895 15187 13660 16015 6307 2-Hydroxyphenylalanine;L-TYROSINE 2-Hydroxy-L-Phenylalanine 13500000 17200000 10500000 10900000 10600000 12600000 12900000 15800000 18000000 20200000 27700000 24400000 13900000 20900000 24700000 23800000 13000000 20900000 16900000 23000000 13500000 21600000 18400000 17000000 10400000 14400000 14100000 9779960 22900000 21100000 21800000 16600000 13400000 14200000 13100000 13500000 20500000 17800000 21000000 10500000 3^-CMP 3'-CMP 38077 20353 33527 29931 12148 27463 27443 43838 20594 19956 37813 38573 104366 23783 30052 44203 80055 112265 109141 32344 35619 25852 28451 30077 32758 41664 50318 37543 27335 25262 15283 27746 5926 22185 24756 20342 14974 27653 18122 33667 3-UREIDOPROPIONATE Ureidopropionic acid 76609 42595 44157 72422 25555 41948 54014 107087 36056 76400 106602 76949 59787 55270 95763 93448 51515 110182 57231 71382 94437 75897 61485 124535 67536 71576 118203 58715 77576 83930 64757 108328 38885 69837 100678 57879 80123 65753 49583 98740 4-AMINOBUTANOATE (GABA);2-AMINO-2-METHYLPROPANOATE;3-AMINOISOBUTANOATE gamma-Aminobutyric acid 2038483 1784864 1014326 1006578 873441 1802273 1521243 2299701 2222704 2457833 6132144 5621744 2623327 4791316 5923486 5899307 3333178 6165570 3991052 5248066 1956554 2831610 1983251 2760889 917817 2004672 1836792 1036343 3064643 2677647 2626258 2522106 1228358 2140907 1861789 1739084 2646395 3195248 2386979 1164998 4-GUANIDINOBUTANOATE 4-Guanidinobutanoic acid 665919 557984 359584 364377 539887 528172 610155 691585 1259667 1071146 909430 817944 374699 655365 888414 1039088 446275 1163316 616289 762440 559473 1759097 719192 797141 411582 632388 578455 285199 1175200 1190259 1087870 839923 482779 680589 961115 582556 1102181 1218080 870802 344907 5-AMINOLEVULINIC ACID;4-HYDROXYPROLINE;trans-4-Hydroxy-L_Proline 5-Amino-levulinic acid 209151 261051 154201 193550 187843 211639 199192 280487 279869 321061 692713 645978 327884 513528 710348 598955 423466 588277 436070 517645 253275 407927 369098 308569 177727 240416 275883 187408 418752 485896 164479 197841 86901 172548 143394 132657 143744 180963 131666 97110 5^-DEOXYADENOSINE 5'-Deoxyadenosine 148533 67240 216048 275258 44245 197401 342985 270549 45388 69410 232447 933113 36904 661020 393902 793536 162417 130655 1836165 658877 191352 36691 80614 175921 303199 170768 198983 200776 93304 78947 74918 164460 69561 128169 196052 258286 74449 123588 77819 234046 5-HYDROXYINDOLEACETATE 5-Hydroxyindoleacetic acid 213747 231102 126531 182488 155842 200559 193825 263718 277535 300225 564746 429743 530502 376917 474802 421820 506603 872056 683290 460920 210735 366374 329426 225015 160889 232835 246090 175258 413717 341358 281351 210070 139106 186514 196327 194882 260281 236446 275753 130779 5-HYDROXY-L-TRYPTOPHAN 5-Hydroxy-tryptophan 9727 7847 7759 7825 9709 19222 21349 21451 23598 15258 19378 16747 13115 18466 14051 16698 13583 21654 15417 18170 9558 21981 11042 19724 6847 13945 11194 12583 20664 21386 9454 12721 12574 14835 8203 9359 14802 16982 16194 8058 5-Hydroxymethyl-2-furaldehyde 5-Hydroxymethyl-2-furancarboxaldehyde 820674 960347 764994 637471 737720 740335 786317 704961 337579 896016 1167783 1074115 688436 1037820 1100605 1066122 802743 869205 864581 962432 903995 891829 919423 879490 604959 826575 1061244 623782 911320 894152 822378 822403 543426 783956 812715 690678 723181 894670 697195 344689 5-Hydroxy-N-formylkynurenine 5-Hydroxy-N-formylkynurenine 175123 194421 175883 201782 185885 213093 212307 172090 176399 171918 145740 171780 164395 169783 128084 170757 163819 186603 164593 160548 182562 161741 169388 168631 173927 178718 239095 167647 164868 127113 154381 163724 167053 162745 157668 167803 152533 175398 193710 148725 5-OXO-L-PROLINE;Pyroglutamic Acid Pyroglutamic acid 6753349 7507657 3615237 4637810 4920069 5268393 5725785 8742128 8967249 9912147 10400000 10200000 5098418 8924984 10400000 10400000 5871159 10800000 6287313 8769243 6079485 10300000 6957632 7848897 3781509 7247053 5774096 3254979 10500000 10100000 12200000 8210058 5361435 8421379 5887920 4935046 11200000 9795299 10500000 3973565 6C-SUGAR ALCOHOL_R1 643856 190606 375973 363351 99532 514647 491510 666536 173919 236761 1315208 1063705 702402 951742 1238899 1047840 757573 1330865 967323 1088340 660486 156487 150395 726636 316952 564511 657378 323016 180867 177612 260212 820418 136956 668038 614118 607962 254632 851881 219335 341748 6C-SUGAR ALCOHOL_R2 71324 58443 60333 70474 61818 60719 103913 83267 71486 50152 42528 53819 41156 45200 66578 33428 74647 34309 45759 70337 34650 62739 51689 99436 56685 46250 71920 84586 44614 38018 98511 62670 99232 54057 116905 73833 53596 46314 71698 ALANINE/SARCOSINE Alanine/Sarcosine 9749168 11200000 7315728 7932300 7202298 8959246 9350193 9895063 12000000 14400000 24500000 20800000 13100000 17400000 23400000 19100000 13300000 16800000 15500000 19500000 10100000 18100000 14100000 12800000 8146658 10300000 10800000 7624027 18600000 17800000 15400000 12100000 9187384 9727681 9819031 9957708 15300000 13000000 14300000 6347771 ALDO/KETO-HEXOSE Hexose 41200000 33500000 22500000 22700000 23500000 33300000 30300000 38100000 31600000 42200000 53600000 46700000 29300000 46000000 50800000 49500000 37100000 54800000 41800000 47000000 32900000 51800000 38300000 42400000 19700000 35800000 35600000 23400000 52900000 45300000 44400000 47500000 29800000 40800000 36000000 36000000 40600000 51200000 41000000 22600000 Allopurinol Allopurinol 7170961 11800000 7049147 4461801 7854235 6599387 5070514 6822068 10200000 12700000 30200000 27300000 16700000 22100000 26600000 23500000 20800000 29600000 27400000 22800000 7319525 16800000 18600000 6555515 5120838 4958562 9270868 3502485 26300000 22700000 7712835 3585361 5881156 3377419 3638152 4095789 6958589 4199983 9904809 2780966 ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE;L-2-Aminoadipic Acid 55365 136063 101967 72302 56282 120417 297591 68723 65399 67821 503259 553684 137342 284468 678022 979367 198160 309519 222887 475183 54175 78651 64583 59007 85926 94899 68230 60088 72795 65277 62558 78841 57282 58340 63820 111071 65420 114691 141238 88158 Anthranilate 2-Aminobenzoic acid 63816 80030 70831 64797 78248 56318 83670 61021 73613 60565 75956 68119 62439 56714 74004 59274 69302 66970 57876 65644 64587 58247 57158 64632 73734 62413 79385 65519 80708 61424 184296 83439 72265 63070 72557 69136 64181 54382 74477 60659 ASPARTATE Aspartic acid 19000000 18300000 10300000 12300000 12100000 16400000 15800000 16800000 16800000 22100000 21700000 21500000 17400000 20600000 21000000 19200000 17300000 22200000 20100000 19800000 15200000 23500000 19300000 19300000 9569791 15400000 16200000 10100000 23100000 21600000 21500000 17200000 15000000 17600000 15700000 14400000 21500000 20700000 21700000 8954155 BOC-D-Phenylalanine 47700000 48100000 46900000 47700000 45100000 45100000 47300000 49200000 42900000 46400000 47900000 44400000 44900000 45900000 44900000 47300000 44300000 44100000 47300000 48500000 44900000 48700000 47600000 46500000 48000000 46800000 47000000 43900000 51100000 43700000 45400000 47200000 45500000 48100000 50500000 47100000 45500000 46800000 46800000 48200000 BOC-L-Tyrosine_R1 Tyrosine 92100000 86900000 92500000 94100000 90300000 88400000 91700000 89900000 92300000 89800000 85600000 90700000 85600000 88000000 83800000 85900000 83800000 87500000 82100000 94400000 89600000 85900000 91600000 91100000 91900000 91100000 94000000 87200000 96000000 79900000 85400000 91700000 87000000 86200000 85300000 86500000 82300000 89900000 87400000 89400000 BOC-L-Tyrosine_R2 Tyrosine 524570 511574 507195 481692 565767 551536 503174 576095 506885 557653 487372 556116 527251 524819 589138 502725 551336 473911 477617 539769 546093 484021 573852 554283 532008 482238 589728 521141 525859 509326 539075 498122 468120 507390 525565 554819 523554 524509 501987 526882 BUTYROBETAINE 3-Dehydroxycarnitine 1239700 1227603 499863 585835 512655 1105994 877941 1306930 1546492 1689004 3460249 3029186 1362295 2588032 3227336 3528065 1782621 3702800 2217431 2919524 1186267 2061313 1452700 1622765 409826 1149306 1141061 505604 2191522 1885616 1824303 1549490 780266 1390653 1050988 1074561 1897075 2144367 1613877 673419 Butyrylcarnitine CAR 4:0 341157 685643 109043 115079 220518 267360 255282 284890 879430 723937 954704 926297 253814 791305 922815 1153811 422823 1114876 331292 813221 330025 817259 481024 463827 103161 349270 280873 144862 638018 564627 971845 629867 393701 471084 341286 367933 1063060 721893 774862 206601 Caffeine-D3 Caffeine 10200000 10800000 9917816 10600000 10400000 9834608 10500000 10400000 10700000 10300000 9348677 9178799 9935858 10000000 9201733 11000000 8915778 9069540 9896088 10300000 9783389 9431457 10500000 10300000 10100000 9559995 10300000 8885531 10100000 9241534 10200000 10200000 11200000 10100000 9813147 10400000 10500000 10900000 10000000 9817918 Choline Choline 116000000 66600000 104000000 107000000 67100000 113000000 123000000 134000000 73500000 78500000 40200000 34900000 25200000 35300000 37600000 37500000 20800000 29400000 27800000 33100000 121000000 86300000 79900000 152000000 97400000 125000000 121000000 96900000 78500000 80000000 84500000 140000000 83900000 133000000 124000000 139000000 83300000 144000000 88800000 121000000 Citrate+Na;CITRATE 372674 370856 244329 233201 247823 168579 319756 504763 408391 495101 691938 474616 363574 516329 662437 654215 391524 566405 519880 533473 334157 566919 383996 612972 220731 449911 319014 212787 506753 478576 630932 603483 522996 491766 455364 463188 646601 555565 630004 264587 Citrate+NH3 Citric acid 552451 604082 423126 380754 395568 295246 573255 891665 728226 861183 1147484 961713 553347 863260 1022346 1129291 654175 937158 899350 883838 565268 952349 687148 995254 364962 752461 564838 352390 834180 784553 991632 999978 819707 783263 741085 792877 1167449 1048348 1046585 443472 Citrate source fragment (+H and + NH3) 477994 475813 350535 310993 337615 212191 411491 682138 540198 632706 915876 611623 511070 691758 929618 842285 561642 720463 664968 679890 460864 732383 489807 808251 310816 572506 407382 276462 718317 658551 859107 771764 670628 609708 650893 640228 810963 700234 824325 359720 Citrate source fragment (+NH3)_R1 186835 187047 129236 120854 130388 86963 161054 260827 215338 254833 333578 269208 172230 263640 311539 343798 192360 302865 267642 280616 181668 287989 201938 298528 116501 229109 164790 109997 257960 226981 289668 303854 250605 236797 221977 235977 338529 303703 314437 129984 Citrate source fragment (+NH3)_R2 87966 93446 66016 65269 62754 44388 81899 125765 100637 122575 175608 114838 99548 131293 176575 159941 101756 138553 143996 137167 85727 138989 102050 163536 60969 108236 77368 52890 136161 130762 165693 153493 128071 122570 129799 109731 159800 129656 159907 73010 CITRULLINE Citrulline 362171 293196 653380 1122047 721218 605036 1333387 534655 427522 419703 1139506 1060914 471357 988576 1007454 954798 461647 1493314 683996 921615 476920 396725 378384 586727 839871 588090 602385 532480 559820 850955 442506 608054 541478 450701 537222 448449 345817 377294 440439 421640 CMP CMP 2422452 2560066 1591743 1716228 1852365 1929977 1912074 2425022 2418224 2863248 1920758 1611101 980576 1383208 1596658 1714633 1061816 2043196 1384985 1472694 2010787 2998997 2330240 2356197 1551248 2114007 2320150 1723326 3170413 2676574 3345120 2916622 2069197 2574301 2458946 2377180 3252019 3109340 3068337 1969073 CREATINE Creatine 89500000 101000000 43000000 44600000 44800000 72900000 63200000 95500000 121000000 129000000 172000000 152000000 82700000 132000000 166000000 162000000 109000000 177000000 120000000 144000000 82200000 137000000 95700000 111000000 34000000 84600000 80500000 39400000 143000000 134000000 153000000 109000000 64900000 98400000 82200000 75200000 142000000 134000000 133000000 50500000 Creatine-D3 Creatine 29500000 29500000 33100000 30900000 33700000 30200000 28900000 29300000 26000000 29800000 28200000 26500000 31100000 29800000 28500000 26700000 31400000 26100000 28900000 28100000 30700000 27900000 30700000 30200000 32100000 29700000 29300000 29100000 40200000 102000000 30500000 66900000 32100000 30300000 32000000 29900000 27800000 28300000 29800000 30900000 Cyclic-ADP Ribose Cyclic ADP-ribose 143270 146081 72661 93983 77440 110208 101828 167498 206871 209367 212644 166376 123220 142903 196804 203891 140233 265991 160538 175926 112797 259699 153540 165392 52978 122405 139039 55784 219917 168044 202994 199360 107113 139798 126014 121315 221493 201794 179730 92122 CYS-GLY Cys-Gly 413370 573452 97529 357784 198685 394194 408513 399585 702102 612787 633102 731348 1039685 472788 533478 878994 841845 2879096 2308160 815542 403865 478160 567498 413302 109413 320533 490972 206961 811357 401003 456461 365716 304785 317485 231272 325126 790900 839458 522118 99768 CYTIDINE Cytidine 127589 250795 148421 197899 385451 130273 204819 118730 156755 243665 4729513 3498052 2429599 2768544 3910802 3533716 2467506 4499490 3864613 3653062 120004 207356 237919 92056 175474 116875 140401 146662 343322 196144 365713 159568 470181 187086 223148 188384 391300 226145 429926 136851 CYTIDINE 5^-DIPHOSPHOCHOLINE CDP-choline 914451 1188747 510338 507140 585063 749428 687763 955631 1365168 1349371 1329775 1222894 458913 1156306 1258730 1402214 460000 828130 569100 1025263 821278 1362380 878748 1094045 407877 882858 830958 433056 1251222 1191618 1458349 1206541 697420 1068738 934634 712536 1354512 1383149 1261393 733144 CYTOSINE_R1 Cytosine 587410 727222 252063 313484 399794 463795 445376 620973 818659 886762 784714 704962 308054 666301 770054 591493 350183 482387 422455 605027 581529 742171 559289 673062 276922 556247 522586 314738 734958 771921 937855 714288 467447 646695 615899 516163 782788 802250 737367 483738 CYTOSINE_R2 Cytosine 517464 758129 396036 363154 420365 428636 463123 496222 804867 684958 714594 238815 318482 652445 421074 600191 329454 435221 287132 632672 529966 722900 529680 666660 350900 572660 493499 369039 736889 696183 1007765 704597 496216 608542 605142 523881 793058 639606 723507 452002 DIETHANOLAMINE Diethanolamine 9532924 4215451 10500000 3808645 4235134 3729411 3495677 3488215 3980594 4002339 3859601 3674459 4250893 7361125 6784394 1548664 1613609 1515683 1563822 3670984 3094028 1351799 3793705 2695613 3310589 3119730 3178788 1334646 1521947 1461182 7312899 8851315 7062800 5086732 5701212 5530907 6687523 5735278 6458308 10300000 DIHYDROXYACETONE PHOSPHATE Dihydroxyacetone phosphate 281810 248120 416882 286565 345664 307035 310034 328700 401690 354041 898982 618071 203069 631029 560101 495654 276206 302994 238382 668266 352898 431653 508402 371952 381908 350884 388292 225295 516525 515614 351603 220018 237882 256101 228948 260048 280135 304586 211315 198532 DL-5-HYDROXYLYSINE 5-Hydroxylysine 37173 15686 53703 37619 37656 49669 46646 37766 29524 29851 14524 26570 9036 33335 30416 10172 11175 23035 13057 37050 56707 25305 56305 19822 44922 46486 23678 33014 30165 31410 50644 30980 26702 43230 37846 41388 53464 56083 18987 D-(+)-RAFFINOSE Raffinose 4383 5121 93592 10061 5894 2778 4442 3411 14900 4709 3773 3426 929092 3912 3275 5330 10664 3691 4462 3297 9360 2767 30815 2641 17658 3317 14997 3201 3590 3507 4924 4066 5484 3068 3228 D-Ribose;ALDOPENTOSE Ribose 449088 163954 340635 363215 196749 284302 251393 389561 145585 189776 449100 377470 359331 412263 381602 319097 285737 331971 377997 417083 495830 201857 297623 419042 506444 313213 612786 399708 288687 259414 158550 288461 99135 243685 249232 251531 154932 256131 153186 267356 D-SACCHARIC ACID Glucaric acid 139996 102558 99845 70690 80629 80070 88824 117701 63416 128158 181257 201222 94724 189655 149973 128631 137759 118328 124606 129505 119704 150713 103837 130523 85559 93436 99734 83948 150462 142569 109867 124526 65463 88201 104321 88277 130033 120613 158712 127573 ETHANOLAMINE PHOSPHATE;2-AMINOETHYL DIHYDROGEN PHOSPHATE Phosphoethanolamine 756800 5636168 474628 502267 3083677 900115 807628 847853 4018383 6782185 86172 75278 75256 62467 64503 53964 75213 55808 63119 69610 806755 718584 713019 779937 446321 603250 921188 495133 851082 811842 5877983 898029 3576946 806110 761330 728007 6257877 1126175 5856406 327782 Formyl-5-hydroxykynurenamine Formyl-5-hydroxykynurenamine 128514 146125 117246 135081 111634 138120 151782 102508 119104 121027 96283 125851 102228 112821 95076 122459 105165 130263 110389 108118 118386 114542 120430 110319 103125 102320 178171 114212 106321 93058 95097 108875 121786 95391 81026 124915 97983 105588 118876 101590 Formylkynurenine N-Formyl-L-kynurenine 467453 446517 445066 509278 460153 422457 465887 389445 484692 422535 368404 364918 430694 389582 301935 400262 474368 428188 417730 418703 410167 421138 417791 332472 369342 420980 501626 321065 391461 317369 428472 391535 440310 378320 335762 400750 396527 345024 524083 466042 GLUCOSE/FRUCTOSE-PHOSPHATE 465707 1152491 353496 231244 745929 236745 313088 284257 476221 676790 1297873 1273915 289812 978843 1371676 1527875 647550 800228 878974 1227350 362734 831675 712017 286446 284911 389505 559997 491086 1029673 910906 740084 468746 371641 425603 411403 279017 467948 394310 463317 331014 Glutathione Disulfide Oxidized glutathione 6945636 5441216 5875170 2722338 2716054 4274747 3822074 7148879 4461700 5854927 5084708 6260258 2489321 4934852 4596493 6690327 6827117 6559399 5771816 4622445 5778010 7460042 4572788 9473443 2516534 5201452 5291366 4052585 6863297 6479240 4896972 8834768 3670861 5405437 5663940 4757314 5739876 8010398 6598275 7547000 Glycerophosphocholine sn-Glycero-3-phosphocholine 63800000 143000000 16600000 16200000 56700000 43300000 30100000 59100000 158000000 177000000 108000000 93100000 51700000 81200000 100000000 97700000 62200000 113000000 75700000 86400000 48900000 195000000 136000000 57800000 9438711 51100000 52900000 13000000 205000000 172000000 187000000 66900000 75300000 60100000 44000000 33700000 177000000 104000000 172000000 16000000 GLYCINE Glycine 1602811 2249920 1191727 1651537 1643944 1655113 1858058 1816902 1483666 2788976 3151917 2966076 1549339 2520301 2981696 2378309 1567847 2208460 1549510 2610726 1873748 2864612 2499616 2160606 1809012 1752901 1779614 1311998 3047726 2892927 3006926 1845886 1866264 1744738 1864863 1674947 2981150 2203234 2978798 1059670 Glycyl-L-leucine_R1 Gly-Leu 910207 3097169 1138800 1178706 1383813 1441871 1592010 1500885 2201759 3215514 5134322 4128438 2840443 4072574 5032944 5163382 2448208 4760704 4040564 4644867 1619794 1749314 2913837 1691551 987971 1839019 1421079 981020 2185057 3046341 2619190 1711386 1855496 1386338 1218358 1248104 2727445 1777413 2909586 916570 Glycyl-L-leucine_R2 Gly-Leu 111369 123769 97475 112239 84967 123976 134129 178894 123143 148986 235783 215342 214947 173995 220794 215383 192633 328859 281642 207664 128550 151893 149003 124338 93838 157381 126708 87190 203430 153023 127986 119970 87641 87290 102394 105618 132040 125954 137100 84509 HEXOSE-DISACCHARIDE;Lactose+Na 523453 412594 20400000 611561 297732 560394 542083 954205 418268 491074 564750 1091604 1432635 610004 1266887 12500000 1423736 1804042 1490279 1014007 510091 533057 431142 677082 424462 793649 521616 350434 595057 549818 779752 589095 330114 515261 571982 424446 430367 489912 446314 363464 Hippuric Acid Hippuric acid 432647 408390 353793 428483 402334 393985 382570 381711 433607 392661 371197 367219 366458 348437 353404 389088 339702 322882 363465 405197 379952 354521 367095 410085 362599 354946 445328 358989 395866 322447 372524 410773 457034 359340 361144 387690 398613 401127 367183 358887 HYPOTAURINE Hypotaurine 194503 309923 65217 118018 137195 201769 150694 158976 332005 404308 458290 345446 194151 356762 455590 421556 249978 359111 285159 398394 181496 373969 356221 261359 87449 197893 164049 93222 417433 442169 446880 245680 201932 215024 174530 187850 448977 323083 371341 65423 ISOCITRIC ACID_R1 Isocitric acid 28364 32291 24326 25968 25609 28570 24094 41184 36304 41015 53369 46265 29189 42837 47619 60546 36894 51616 45193 38385 25683 50334 25955 45227 17039 41213 29289 17389 44580 38127 48846 46425 23168 34079 38741 34816 56056 44800 47517 26524 ISOCITRIC ACID_R2 Isocitric acid 17597 20447 53566 5527 5629 15906 6479 18970 8869 34281 224201 162195 13622 94310 127875 82044 23337 31126 24293 103252 11844 61141 45276 21849 4214 18909 8333 5513 81469 55474 25894 24838 5847 13690 22208 16009 25084 21416 28627 9037 Isocytosine 2-Amino-4-hydroxypyrimidine 125504 212785 176352 175076 341645 139739 169665 121689 154471 225110 3915641 2912847 2020777 2445846 3402251 3006546 2210067 3676825 3115035 3038983 136237 174746 202575 97076 182461 121792 152232 141080 288773 226163 363028 146123 432052 155393 222211 190389 334211 205321 364083 148174 Isovalerylcarnitine;Valerylcarnitine CAR 4:0;3Me 434651 951898 169567 199522 379147 346811 334447 375041 1023353 1081679 1690741 1841621 888801 1462570 1591164 2022984 1121525 2711706 1368770 1560778 375273 1740354 1171337 505782 172076 399778 338004 202274 1586026 1336723 1028125 531623 552541 399294 362345 383322 1222532 690248 993792 231702 L-ARGININE Arginine 138000000 107000000 134000000 145000000 111000000 139000000 140000000 146000000 96800000 132000000 199000000 179000000 203000000 162000000 185000000 162000000 187000000 235000000 210000000 167000000 142000000 127000000 125000000 145000000 156000000 143000000 149000000 137000000 136000000 126000000 127000000 145000000 115000000 131000000 153000000 139000000 120000000 147000000 127000000 115000000 L-ASPARAGINE Asparagine 7650961 8773802 6097902 7285016 6511391 7663498 8033516 8041147 7136739 10600000 17500000 16000000 8735914 13800000 15200000 13600000 8300232 11700000 10000000 14800000 7900783 11500000 11000000 9430032 7543360 8161587 8543951 6682980 11900000 11200000 9762847 8407413 7140932 7083796 7902783 7518595 9446157 8945625 9776293 4927928 L-CYSTATHIONINE Cystathionine 16770 22511 30964 17924 12298 21198 16729 29127 20848 24476 52453 32978 66651 29987 81580 42139 77855 89892 98830 40669 25077 18374 21354 25373 9929 21425 14500 7990 25111 28421 21216 23968 9021 38478 25267 14793 23158 32734 21486 9471 L-CYSTEINE Cysteine 2715393 3364848 871478 2545038 1895720 2794542 2692444 2780990 4288326 4062948 6496393 5010168 4292114 4851721 5738162 4128662 1991161 4235833 3501416 5074668 2543501 3987545 3963801 2543163 2006157 2831108 3161738 1381508 4849450 3994749 5183058 2550026 2508676 2241505 2465336 2312992 4445791 3028787 3937086 686293 L-Cystine Cystine 74570 73320 78359 52657 105985 50409 57314 51434 56754 72441 121016 133056 81031 102733 74172 68924 55834 25748 63368 104551 46693 48431 78293 68179 88256 63147 54169 62703 82302 39900 47273 55697 56527 59166 47585 43979 72628 78002 90991 31896 Leu Pro_R1 Leu-Pro 431099 441142 353714 382472 256993 404115 393030 511222 477417 464997 921654 812167 487645 782401 893307 962267 344231 673527 502879 916865 491776 634224 473036 583989 398298 558986 567241 393984 683949 543302 406408 479168 242513 355441 325756 354261 472790 469164 462342 293786 Leu Pro_R2 Leu-Pro 128407 128007 96712 106559 84984 118480 134046 164058 158718 164267 194724 147917 87643 135525 177612 167814 358601 162201 100522 175598 140598 210668 152967 182299 118148 159672 168228 110023 216528 172523 141637 150231 67803 358362 99996 108329 146547 155684 160712 95282 L-GLUTAMINE Glutamine 64300000 61000000 43800000 45900000 44000000 54000000 56300000 64000000 55500000 73500000 123000000 104000000 58800000 95300000 120000000 103000000 62000000 77400000 69700000 102000000 71400000 95600000 79600000 80500000 47500000 66500000 77000000 50900000 95600000 89800000 104000000 83700000 66200000 73100000 70300000 67700000 96800000 92500000 95900000 39100000 L-HISTIDINE Histidine 10300000 12700000 6972221 8275271 9274277 9694506 9617689 12200000 16600000 16000000 19300000 18200000 7764185 15400000 17200000 16500000 8231004 14500000 8875991 15500000 10300000 18000000 14600000 13400000 7712533 10600000 10900000 6639811 18500000 16400000 19600000 13200000 12100000 11100000 11000000 10100000 17900000 15200000 17700000 7056680 L-Isoleucine Isoleucine 29600000 32600000 19100000 19800000 18700000 26000000 25900000 36400000 39200000 42900000 49800000 42200000 25200000 36300000 45300000 40900000 24600000 40200000 29100000 38500000 27500000 50300000 38500000 36300000 17200000 30300000 29100000 17000000 54400000 46000000 51200000 35000000 26100000 29500000 26600000 26100000 47200000 37800000 46000000 19700000 L-KYNURENINE Kynurenine 116431 112322 94611 60944 85566 72624 122663 111570 192904 141479 64574 70714 47826 62381 52416 88381 67601 99673 58592 57510 90481 181548 112079 126850 57493 84466 89028 69614 181526 139270 232611 97173 131230 101760 76963 81863 146012 116365 134476 57365 L-LEUCINE Leucine 53900000 61900000 39500000 39100000 37600000 49700000 48900000 63200000 70000000 80200000 111000000 96700000 63500000 83100000 102000000 94600000 59700000 88800000 70800000 89600000 52100000 92000000 74800000 68400000 36300000 59600000 55600000 35100000 96100000 84000000 82700000 63300000 48400000 52300000 49300000 48800000 79100000 65600000 81000000 39200000 L-Leucine 13C6 Leucine 19100000 19300000 16900000 18400000 18600000 19200000 19400000 18800000 17000000 19900000 16900000 18400000 19500000 19100000 15100000 19000000 16200000 18700000 19100000 19300000 19400000 17900000 20000000 20000000 17800000 19100000 19600000 17400000 19900000 15300000 16200000 18900000 20000000 18100000 17000000 19000000 18700000 18900000 19300000 17400000 L-Leucine-D10 Leucine 16400000 16700000 16600000 16400000 16800000 16500000 16800000 17300000 15400000 17700000 17600000 16200000 17200000 17500000 16400000 17000000 16200000 17200000 17500000 17400000 17000000 17100000 17500000 17100000 16600000 17000000 16900000 15600000 17900000 16600000 16800000 17000000 17600000 17100000 16800000 16600000 16000000 17000000 17400000 16300000 L-LYSINE_R1 Lysine 11700000 9678063 10400000 13700000 9244020 12800000 13500000 13700000 8558858 11600000 20200000 18400000 22300000 15400000 17500000 14200000 17400000 23600000 20700000 15900000 12200000 12900000 12500000 13500000 13300000 13800000 13500000 10200000 12800000 11600000 11500000 11800000 9137113 10800000 12800000 11400000 11100000 12100000 11600000 8069230 L-LYSINE_R2 Lysine 132396 127539 156567 122380 119196 118040 143098 151662 106459 101404 106258 104220 90715 117421 268047 287004 81956 151148 131503 111830 115221 110861 110851 144874 144699 152012 121217 111011 103256 266898 253038 146627 112081 147873 228412 150383 195749 243584 224612 175342 L-METHIONINE Methionine 11200000 11400000 7023920 10300000 6880894 10600000 10200000 13200000 13000000 14800000 24400000 20400000 18400000 17600000 21600000 20900000 15400000 24500000 20100000 21300000 10700000 17200000 14700000 12900000 9334852 13000000 12500000 8274262 19200000 16500000 15600000 12400000 8716348 10000000 11200000 10600000 15400000 12900000 14000000 7039368 L-Phenylalanine 13C6 Phenylalanine 13300000 13600000 13300000 13000000 13900000 13200000 13000000 13600000 12500000 14100000 14200000 13300000 13400000 13800000 13200000 13700000 12700000 13100000 13100000 14000000 13700000 13800000 13600000 13700000 13500000 13500000 13500000 12500000 14100000 13700000 13200000 13500000 13500000 14100000 13700000 13700000 13000000 14200000 14400000 13500000 L-PROLINE Proline 38600000 55800000 24900000 25200000 28200000 33400000 31800000 42500000 63600000 74500000 131000000 113000000 58400000 99600000 124000000 119000000 70400000 123000000 81800000 107000000 37400000 96700000 68900000 51500000 23200000 38900000 35500000 23200000 103000000 98600000 87600000 46000000 41400000 38800000 38800000 37300000 82700000 55100000 74700000 24500000 L-SERINE Serine 15600000 17600000 12200000 16100000 13800000 16700000 17800000 16100000 11500000 20100000 28400000 28900000 14600000 24800000 26200000 23500000 13400000 19300000 15800000 25600000 18300000 17300000 20300000 19900000 16200000 17200000 18800000 14300000 19600000 19100000 18900000 18200000 16400000 15500000 17800000 16800000 20100000 20900000 20300000 9741825 L-Tyrosine 13C6 Tyrosine 2421495 2427224 2349732 2282284 2410114 2314050 2329545 2347537 2211726 2416062 2452424 2311093 2379877 2482859 2298058 2413790 2282412 2329543 2398568 2500069 2360970 2322309 2420864 2437835 2393826 2223370 2332806 2213870 2483586 2237131 2344050 2454911 2381248 2438924 2299553 2358674 2302683 2359444 2384362 2283294 L-VALINE/5-AMINOPENTANOATE/L-NORVALINE;BETAINE 36700000 43800000 27000000 27900000 25800000 33300000 33000000 44800000 49200000 57200000 4640144 4199382 35600000 3713647 4548603 4787862 2864728 4722832 3318255 4083494 37500000 60000000 50100000 48900000 26400000 40700000 39100000 25500000 63100000 62300000 62100000 45300000 34600000 37300000 36000000 35400000 59000000 50200000 58400000 27500000 LysoPC (16:1) LPC 16:1 25668 19310 23724 21022 19955 35273 27155 24156 14918 30960 98561 73968 60003 67359 120884 94201 24641 43408 46417 69787 28046 16836 27558 22313 29736 22992 27472 24233 11154 15845 18486 35916 21743 45645 40837 50495 42225 62268 35132 18588 Methionine Sulfoxide Methionine sulfoxide 3870207 2440497 6593960 2459330 2930224 2558754 3728813 3556006 2598086 2884892 2665251 3969519 1719694 2592493 2003170 2809379 2744536 2814942 2617581 1867751 3456273 4360861 3129967 4832520 3672777 3005298 3040987 3700914 4269445 4037855 3842452 3967327 3000067 2813892 2656323 3079733 3618161 3427474 3762772 5493148 METHYL BETA-D-GALACTOSIDE Methyl beta-D-galactoside 1065108 880912 1246740 1235430 1036409 984709 1105696 1039509 773696 869115 499346 495563 348916 458890 377390 314957 280820 338920 434973 421204 906272 726756 850139 735701 833440 822264 1058006 822306 861138 686733 915536 1019846 921756 1110144 1104503 1175218 1005947 1151015 966577 1003994 N-Acetyl-Arginine N-Acetylarginine 24978 24192 6862 16534 14196 29016 20197 40907 31269 39644 30146 28046 16645 28336 29808 37608 8916 56220 22593 27860 24830 36535 27358 39611 8415 48973 28657 8600 40216 35251 42619 37696 9114 30054 36791 25335 38112 50091 27539 7938 N-ACETYL-DL-GLUTAMIC ACID N-Acetylglutamic acid 34112 33618 22428 17913 17479 31047 32824 45261 37712 44311 34845 30835 21914 30324 37541 34341 34484 38175 29119 30237 30284 43618 29186 43915 17792 39512 30702 20285 41590 43256 54058 50723 22704 43804 36721 31605 43699 59550 44404 27530 N-ACETYL-HEXOSAMINE N-Acetylhexosamine 381093 574968 134577 275448 272011 193784 237935 309618 293090 456997 650279 683196 550142 544672 564468 629658 258808 641284 409121 718948 320692 288693 533945 363185 120127 253740 389321 99465 337945 240987 236063 302163 345959 203530 212203 287446 568878 417282 358377 168383 N-ACETYL-L-ALANINE;3-AMINO-5-HYDROXYBENZOIC ACID N-Acetylalanine 41843 51811 35164 35088 39719 37019 37880 49903 64064 59396 121477 95171 94038 157680 103919 96880 85764 142453 101355 94558 40022 86290 67248 50827 31481 47358 41710 27323 86274 73218 66504 47273 34700 39364 43851 35676 59938 49042 54260 31684 N-ACETYL-L-ASPARTIC ACID_R1 N-Acetylaspartic acid 102109 135481 56296 60634 58704 94820 93599 133677 157679 198103 245630 224405 110749 177379 219470 225084 151927 264525 174439 197968 102314 227494 148214 158363 54490 106924 97791 58225 224596 218109 195862 133899 95195 106458 109492 95292 183280 177343 187029 66831 N-ACETYL-L-ASPARTIC ACID_R2 N-Acetylaspartic acid 47865 19896 15591 30591 26907 35762 5289 31846 95370 44909 54818 11898 49094 50540 85142 47650 49325 22490 14798 31326 18194 15451 54894 69717 21481 55796 48902 24725 111673 20501 15447 61840 16142 55361 38606 29958 58599 88016 19463 32024 N-ACETYLNEURAMINATE N-Acetylneuraminic acid 3006524 4285808 1682301 1828892 2488205 2458934 2193203 2806453 4334815 5426927 3099504 2848251 1564150 2430561 2702793 2938362 1684151 3246221 2356925 2696019 2800494 7154279 5578193 3566150 1474414 2722854 2697880 1626213 7567607 6481827 5239535 3348225 2758743 2934445 2519956 2478340 5381434 4195488 5279033 1592546 N-ACETYLPUTRESCINE N-Acetylputrescine 657732 843298 677014 578823 750532 663348 617689 679292 862139 954606 1585581 1432016 1111387 1415736 1433784 1565293 1130283 1564880 1302178 1399222 709588 1143612 944791 737964 702177 763661 700201 648644 1043760 1024130 856561 693210 661175 670157 655687 659042 845973 719751 875100 646909 N-ALPHA-ACETYL-L-LYSINE N(2)-Acetyllysine 126269 56369 89976 148580 52875 108783 109891 119152 77895 71021 74031 78753 416947 62489 53344 68215 298003 478853 408338 66388 111445 89828 78484 134358 162472 122679 149916 141384 88673 102549 63085 100431 44072 90791 127970 102219 60702 130492 53877 114368 N-BOC-L-Aspartic Acid_R1 Aspartic acid 4662453 4551095 4761282 4730700 4666079 4271687 4847028 4804374 4746486 4706830 4443447 4403894 4608127 4305427 4422956 4588575 4637424 4086087 4494013 4732621 4687432 4500602 4718821 5091881 4571926 4615511 4945302 4235568 5281473 4382328 4721062 4978976 4663593 4499343 4727638 4468611 4580793 4591912 4756030 4369221 N-BOC-L-Aspartic Acid_R2 Aspartic acid 115793 130817 107745 118521 119524 112768 126958 107409 122723 117202 94404 128606 124624 111995 97074 128716 97782 107526 103782 116474 113006 112890 120784 123275 106008 105356 133872 109436 121647 100896 96892 117759 124409 114376 116941 112043 121952 129848 124823 95925 N-BOC-L-tert-Leucine 5070132 4685974 4602462 4705774 4580523 4458280 5003160 4864178 4662280 4793167 4912005 4635116 4913273 5236763 4950484 4955904 4625360 4844719 4892869 4887732 4444104 4669971 4749035 4946959 4580540 4739625 4640248 4284720 5065136 4290600 4509510 4948078 4686631 4720881 4863169 4725956 4485373 4795111 4828106 4835374 N-BOC-L-Tryptophan_R1 Tryptophan 27900000 26700000 25800000 26500000 26000000 28800000 28300000 27900000 25200000 26700000 26500000 27200000 27900000 25900000 27000000 29500000 26300000 28500000 28500000 28100000 28200000 26800000 28300000 27900000 28600000 29100000 26800000 28400000 29300000 25700000 25900000 27100000 26800000 28100000 26700000 28800000 29300000 29200000 27400000 26900000 N-BOC-L-Tryptophan_R2 Tryptophan 1544769 1554525 1546156 1454184 1426716 1720665 1628950 1648485 1425125 1502448 1613519 1520981 1641404 1473459 1693337 1858135 1578406 1677786 1655192 1600336 1584011 1584591 1669492 1660009 1671583 1803445 1508248 1614045 1653764 1552945 1625102 1536115 1480078 1601971 1467394 1629501 1723420 1603333 1576852 1491329 N-Butylbenzenesulfonamide 622959 629000 650386 538421 794146 628183 556927 627779 721880 550859 580583 693964 527777 537456 466933 659323 582327 721128 590202 601566 656427 716696 557714 673214 625122 570313 685921 624288 600316 576684 483241 683818 567461 643518 574318 598567 542198 755100 640615 569608 NEPSILON_NEPSILON_NEPSILON-TRIMETHYLLYSINE N-6-Trimethyllysine 565771 375090 636880 892501 369769 618657 671274 615974 419765 407665 447941 501174 1876546 455163 384651 438730 1411448 1220475 1277158 354113 474785 582693 466296 585972 739109 531183 609367 659633 521140 543968 482627 542630 430122 466131 651202 528026 443065 555598 460123 589511 NICOTINAMIDE MONONUCLEOTIDE Nicotinamide ribotide 84470 51508 160922 108325 75164 111762 123797 130367 42604 61877 57753 42177 39232 34611 43993 43773 36693 34126 44113 46863 112813 54646 82202 107597 142649 110941 144312 112256 91690 76010 51966 67692 74524 85864 96100 91635 62916 71433 73648 103014 NICOTINAMIDE;NIACINAMIDE Niacinamide 6284931 9480503 5078850 5036651 7264337 5252541 6157564 6720417 10700000 12400000 11400000 9588210 5373480 8879135 9632007 10300000 5469617 7132722 6808164 8491861 6489211 15000000 10800000 7552603 4396024 6103529 6630407 4028585 15000000 13300000 10500000 6030475 7328857 5797680 5245033 4976725 9489901 6973533 9896861 5144590 N-METHYL-D-ASPARTIC ACID;O-ACETYL-L-SERINE;L-GLUTAMIC ACID;O-Acetyl-L-Serine N-Methyl-D-aspartic acid 91600000 86700000 54100000 54000000 49800000 76300000 74200000 96500000 85200000 103000000 145000000 140000000 84400000 123000000 142000000 137000000 105000000 151000000 110000000 130000000 82900000 127000000 99400000 114000000 47300000 84200000 82900000 52500000 132000000 127000000 120000000 112000000 73200000 98300000 84100000 82900000 124000000 123000000 116000000 60500000 N(PAI)-METHYL-L-HISTIDINE 3-Methylhistidine 275593 302456 199700 196575 245032 222725 211297 328818 169037 326553 666886 536687 446968 666593 598411 592738 449588 497805 520225 579789 346556 333770 331225 400460 222012 396842 336502 211139 322542 380617 433303 464189 264507 433538 348427 362265 327976 382052 371401 244299 ORNITHINE Ornithine 580189 319375 384084 503871 801700 416285 417591 391347 294521 337824 289901 418360 452142 533104 346008 306865 424092 483996 263511 270817 414620 358733 537059 354638 653250 460060 254395 355935 392824 453549 314317 403740 622884 873416 334939 344428 328181 1077665 532659 239597 Orthophosphate Phosphoric acid 7371479 8569621 5602529 8421732 9301279 7389119 9510685 6668351 2211825 7473165 7152881 7663281 7279462 7299291 7282119 6476612 7131634 7645303 8182882 7162278 8724090 5971850 8354432 7809344 8365717 7312460 9098898 8270884 7159304 8192257 6721132 7679324 9033316 7116773 8356202 8191519 6945777 7231082 7294717 3312104 Pantothenic Acid Pantothenic acid 3728850 4996073 1654686 1848783 2355337 2992861 2603426 4086934 6346163 6894510 3947151 3749173 1991979 3221333 3674135 3935944 2300030 4496694 2945531 3755301 3198411 7235934 5143103 4233651 1307531 3221299 3337206 1605276 7719647 6357482 6890850 4148595 3279601 3484603 2834514 3042837 7440955 5529261 6603111 1968386 PEG n5 Pentaethylene glycol 3663337 2539040 5358169 7530593 4952089 4579362 6735364 5956157 6576196 5330995 2601559 2557736 3477004 3106159 2850578 1946452 2191078 3389959 1640393 2036954 7175585 4132921 3719219 6653070 4777557 5996662 4410297 3678034 4960685 3378068 4191547 4688731 6433139 3206478 4108208 6695919 3205824 4556081 5347693 3829642 Phenylalanine Phenylalanine 38900000 49600000 31300000 30600000 31900000 37300000 36200000 46900000 56000000 60900000 79500000 67900000 41500000 57100000 68800000 65000000 39600000 63700000 49200000 62800000 41100000 68400000 54700000 50200000 29500000 43600000 41000000 29000000 69300000 65900000 62600000 48100000 37400000 41000000 39100000 39100000 58900000 53600000 64400000 31000000 Phe-Phe Phe-Phe 74722 57110 53112 54954 37989 56993 55207 76938 79607 64318 123195 80973 214674 78058 114770 139710 215849 404119 403806 108605 45752 77626 73133 56905 31971 58423 55753 26309 94491 65089 53919 69962 28517 64834 54748 51599 71614 84768 77760 53817 PHOSPHOCHOLINE Choline phosphate 135000000 151000000 76400000 79600000 81500000 113000000 112000000 137000000 169000000 189000000 338000000 296000000 194000000 275000000 334000000 298000000 245000000 325000000 262000000 292000000 117000000 190000000 136000000 157000000 63500000 123000000 136000000 73900000 189000000 181000000 216000000 157000000 108000000 140000000 130000000 121000000 191000000 185000000 189000000 75600000 Proprionylcarnitine CAR DC3:0 93946 122231 43603 44581 75287 88785 65725 105802 129774 183715 214167 181628 119547 196467 210485 216133 129007 297235 160616 190054 84797 164643 128322 111276 38060 91155 98421 48869 168199 146286 155465 142828 83734 112155 102844 110412 171134 174403 138705 59202 PUTRESCINE Putrescine 2813757 4490792 2391292 2147511 4053392 2326422 2438207 2979889 4402823 5832704 13700000 10900000 9009326 11200000 13100000 10600000 9769071 10700000 10100000 11000000 2848462 7884155 6594374 3377022 2395138 3177032 3013712 2140813 7992250 7992032 5200189 2971969 3417906 2835328 2921540 2482078 4242364 3037722 4485080 1988923 PYRIDOXAL Pyridoxal 481083 559735 287479 306742 299176 369483 382611 445555 802674 663558 772979 895623 419260 591697 634019 911016 470365 1036000 657212 742539 449938 726886 562321 557287 209685 363865 511977 258457 834092 606949 570540 478136 329284 349219 380010 326808 776964 668355 591521 257184 PYRIDOXAMINE Pyridoxamine 1580982 1179099 1495735 1780178 1155523 1580297 1835362 1764373 964749 1307195 2293048 2094907 2792014 1995970 2011158 1792814 2410355 2919831 2741792 2051910 1515907 1445167 1502322 1716380 1711179 1694511 1767287 1493400 1544217 1396519 1163254 1463322 1090347 1303274 1593071 1514805 1217356 1419978 1335771 1147638 PYRIDOXINE Pyridoxine 326245 427336 228324 245636 190037 310325 326786 562389 492999 575361 555768 456338 188346 382920 535936 492516 217077 358051 262211 412523 346422 657913 436592 404983 180059 429103 408818 195957 695642 624980 757881 503019 314951 379675 370980 323918 817573 560978 717447 219644 QUINATE Quinic acid 221681 233571 202543 134611 166397 158390 182435 225710 98275 238643 334109 448850 195018 332866 314209 284155 281989 254784 279224 251460 225044 287888 212014 280782 154054 201829 201795 150419 298978 320467 198941 263931 183286 160360 178377 148034 235697 189096 342289 195514 RIBOFLAVIN_R1 Riboflavin 91182 63564 87880 106060 48867 92122 99311 119885 56326 74988 47906 35138 21039 35348 33234 35661 21873 30669 27248 38641 114883 71139 65421 132944 123720 107936 138269 129483 74069 61417 57171 110022 54707 89379 101085 97139 69885 107040 81084 96741 RIBOFLAVIN_R2 Riboflavin 5922 63564 54389 43674 15104 18095 39746 6932 33249 28307 15268 6141 27000 4947 15021 16003 6126 18812 6581 5080 28919 59322 13882 18214 61417 44059 14883 5809 38369 101085 29081 69647 Ribulose 5-Phosphate Ribulose 5-phosphate 1518023 444608 1319490 783224 341931 1282081 807625 1474272 446103 461271 563475 404995 439645 456973 458017 458582 475887 374206 517729 503892 1302901 434788 517452 1450812 1207698 794715 1771254 834720 481966 553792 376085 726461 244379 496429 827570 732285 272151 605261 302757 758697 (R)-MALATE D-Malic acid 261687 449426 101328 79853 150779 171118 125469 153357 543248 590008 1239402 1063298 313955 820085 1071899 994998 534838 952893 572417 885229 251027 771542 484745 316908 99984 228948 238462 107651 809546 761388 851631 326595 167408 338413 186106 169486 679833 516554 545132 114488 S-CARBOXYMETHYL-L-CYSTEINE S-Carboxymethyl-cysteine 34489 58151 22756 30192 29723 38181 28111 61392 58826 66242 109378 81088 70013 67122 75340 130756 138331 137482 145283 93729 51249 168272 84801 63639 32564 62735 57813 60677 163246 216608 55882 34636 29830 33294 37010 36096 58829 31605 71781 22813 SEROTONIN-NH3 Serotonin 28866 8313 16005 17337 6565 19686 19175 31800 17048 20581 68053 46477 30480 65488 71367 67991 33198 50518 39074 62794 19935 14687 9271 26275 14633 22214 26887 12307 19310 17395 21248 25096 8255 26538 21547 15087 24882 20988 19051 17927 Source Fragment TRP 48966 59251 36320 42378 44514 45578 35193 50335 64310 65420 56361 56486 47066 47283 52785 51708 40163 74253 44613 58073 42328 71086 72850 52471 33887 45323 41756 31443 79615 65203 72679 49306 43296 42677 35641 44349 78148 56954 62980 41523 SPERMIDINE Spermidine 77900000 58600000 87600000 79700000 72100000 79400000 81400000 84500000 71500000 76900000 78200000 76600000 63200000 73500000 69800000 63300000 58600000 73600000 70200000 70000000 78900000 74400000 68400000 84900000 83100000 80100000 85800000 71900000 75400000 65600000 69200000 85400000 69000000 77900000 80100000 83600000 73400000 83400000 83100000 75100000 SPERMINE Spermine 2432073 2951423 2060476 1926523 2758001 1731612 1602213 2376463 4581391 3324679 594185 2871888 2840394 2965220 3069300 3360682 2465562 3310638 3317780 3282096 2137142 3983588 2953680 2483367 1881674 2213896 2377889 1545771 4054824 3031429 2587174 2795457 2262596 2231241 1963035 2253602 3271528 2596221 3713979 2616704 TAURINE Taurine 2938208 3736959 1168071 1422138 1897309 2443999 2198004 2577388 4734770 4617069 5981623 6069011 3392856 5406165 6428681 6417828 4231591 6080689 4333792 5943787 2733064 4786690 3714796 3520846 1014142 2541609 2539108 1309056 4973093 4586858 5477829 3347162 2649241 3150062 2566761 2493196 5223577 4248971 4771118 1548734 THREONINE/HOMOSERINE Threonine/Homoserine 29700000 34100000 19700000 21100000 21200000 27100000 27400000 31700000 31800000 40700000 51400000 43400000 23800000 39500000 48300000 41500000 25700000 30900000 27900000 39500000 28500000 47300000 40000000 32800000 19200000 26600000 29900000 19900000 50800000 50500000 48800000 32300000 27900000 27700000 28300000 27000000 43100000 36000000 42700000 17500000 TRANS-CINNAMATE trans-Cinnamic acid 620020 551947 609383 648984 770140 589403 673604 640090 772162 579475 506979 742906 538459 563569 464201 675761 572645 730596 516493 584067 628169 660034 558538 711632 598110 534739 743509 576307 600032 493639 500639 755518 571933 551427 507128 598228 555935 769836 545048 534026 Tryptophan Tryptophan 9973393 11900000 6811166 8466646 8233573 9279621 8799470 11200000 14400000 15800000 12900000 12300000 9413456 10600000 12600000 11700000 9213753 14900000 11500000 10900000 9241702 18900000 14400000 11500000 6275786 9794637 10900000 6746954 19800000 16800000 15400000 10900000 9177045 9170251 8690320 9054823 15400000 12100000 14300000 6764873 Tryptophan-2_3_3-D3 Tryptophan 39500000 41200000 37800000 43300000 42900000 41500000 40900000 41100000 38700000 44300000 38400000 39900000 41000000 43600000 40300000 40500000 39800000 39900000 41800000 40500000 42400000 40500000 43800000 41100000 39300000 40900000 44700000 39300000 46100000 41600000 40900000 42100000 42500000 40600000 40600000 42700000 40600000 42900000 40800000 40200000 URACIL;Uracil Uracil 1590977 587268 1667379 1867491 544526 1514248 1643862 2128056 568958 739561 501374 398138 346355 343804 387394 267627 281969 394407 335615 373028 1836361 916270 991996 2396730 2135242 1836190 2265579 1859363 1209130 1223390 674148 1375349 513257 1175340 1498108 1293562 700902 1273814 980441 1547374 URIDINE Uridine 384281 507410 584064 542367 541888 470323 586647 402747 365918 535143 1735435 1208674 871219 991966 1312672 1203777 727587 1042707 1105523 1221269 450213 589010 723508 327306 650848 340700 532956 416758 1018482 752951 429350 324015 689463 316275 469640 539675 440521 334889 598978 369576