Metabolite_name RefMet_name EW-02-ACC EW-06-ACC EW-07-ACC EW-10-ACC EW-02-RCH EW-06-RCH EW-07-RCH EW-10-RCH EW-02-RT EW-06-RT EW-07-RT EW-10-RT Factors - Treatment:ACC Treatment:ACC Treatment:ACC Treatment:ACC Treatment:RCH Treatment:RCH Treatment:RCH Treatment:RCH Treatment:RT Treatment:RT Treatment:RT Treatment:RT 1_3-DIAMINOPROPANE 1,3-Diaminopropane 106368 186141 170578 118800 120038 178238 138937 183785 113473 98486 67894 108454 1-AMINOCYCLOPROPANE-1-CARBOXYLATE 1-Aminocyclopropanecarboxylic acid 6769450 4969331 5676716 4920918 4222375 3775521 3640376 5349305 2957357 4006366 2922677 4630321 2-hydroxyglutarate 2-Hydroxyglutaric acid 98876 95005 99307 92242 120013 97782 116369 165878 100104 87519 84403 139577 2-hydroxyglutarate+Na 2-Hydroxyglutaric acid 616981 583050 645801 473184 736639 765009 744117 1206384 738751 600559 547362 1041106 2-hydroxyglutarate-water_R1 1860360 1746591 1948054 1523112 2272473 2284314 2236115 3604805 2141646 1781657 1689983 3178187 2-hydroxyglutarate-water_R2 62797 146874 829529 31161 235295 583654 464863 1482286 543438 290619 147808 626555 2-Phenylglycine 2-Phenylglycine 59764 46307 65794 29839 18422 30404 108025 75685 8618 26591 24641 94488 3_4-DIHYDROXY-L-PHENYLALANINE DOPA 196809 54632 71023 127737 102000 162953 544283 198471 59908 140875 148178 164506 3-HYDROXYKYNURENINE Hydroxykynurenine 38031 42751 37172 42749 34817 34716 33148 36310 26547 26029 19921 43238 3-UREIDOPROPIONATE Ureidopropionic acid 185078 159184 204473 261470 169817 163577 347718 427230 165986 98957 189728 410719 4-AMINOBUTANOATE (GABA)_R1 gamma-Aminobutyric acid 13600000 15800000 12100000 14800000 12400000 10300000 13600000 19700000 8167469 18900000 11600000 23300000 4-AMINOBUTANOATE (GABA)_R2 gamma-Aminobutyric acid 7609487 14600000 10200000 11900000 7778520 6565484 6471887 11200000 6548090 10400000 6441855 13100000 4-GUANIDINOBUTANOATE 4-Guanidinobutanoic acid 8971929 9249359 11400000 4946117 5692240 5046283 11700000 5815241 2661496 5344111 2010593 5941291 4-HYDROXY-L-PHENYLGLYCINE_R1 4-Hydroxyphenylglycine 30513 20555 23212 33955 35947 19633 64541 146484 34578 29583 18840 46076 4-HYDROXY-L-PHENYLGLYCINE_R2 4-Hydroxyphenylglycine 194588 30230 24339 74558 31605 171138 76261 216017 156036 31557 72202 4-IMIDAZOLEACETIC ACID Imidazoleacetic acid 12300000 10200000 11400000 4821642 2393538 2485571 11800000 10500000 1204697 4807662 1353998 8841756 5_6-DIHYDROURACIL Dihydrouracil 108730 73293 87081 112242 94172 108792 150812 252238 110070 82701 87997 165737 5-AMINOLEVULINIC ACID_R1 5-Amino-levulinic acid 3603507 3701080 3602222 4163588 3047091 2850733 3361663 4303132 2429645 3887983 2301939 4867458 5-AMINOLEVULINIC ACID_R2 5-Amino-levulinic acid 1531519 605292 2370881 1651092 3773033 886409 3127554 2381408 2949739 845366 1047541 2295027 5-AMINOLEVULINIC ACID_R3 5-Amino-levulinic acid 143781 161862 350077 155281 54458 55052 342983 244181 42619 47293 47638 143035 5-hydroxyindoleacetic acid 5-Hydroxyindoleacetic acid 555623 379075 333869 381572 585960 874100 966461 422273 321734 643976 360756 494754 5-HYDROXY-L-TRYPTOPHAN_R1 5-Hydroxy-tryptophan 215890 422670 331022 281620 270953 480405 193350 225335 153546 247334 98652 208839 5-HYDROXY-L-TRYPTOPHAN_R2 5-Hydroxy-tryptophan 164697 48162 57110 114031 53262 78611 51948 43581 75174 45953 58927 56652 5-HYDROXY-L-TRYPTOPHAN_R3 5-Hydroxy-tryptophan 43485 16157 37137 31665 42479 52532 37054 63507 39434 28094 14301 29469 5-Hydroxymethyl-2-furaldehyde 5-Hydroxymethyl-2-furancarboxaldehyde 2728576 1237664 1365004 1569015 2969090 1743650 4005593 3018902 4631040 3852190 1134876 2655249 5-Hydroxy-N-formylkynurenine 5-Hydroxy-N-formylkynurenine 325933 292136 332317 263347 266020 282872 263710 283762 291382 329781 254230 352656 5-OXO-L-PROLINE Pyroglutamic acid 6095202 3273104 4759204 3004746 5401234 2995612 6043848 9743821 3968251 6891671 7533207 8658357 6C-SUGAR ALCOHOL 159071 85976 181978 57364 1249680 164482 818605 215501 1430924 299206 276275 240435 6-DEOXY-HEXOSE_R1 170397 93212 247051 64638 60070 48285 191768 137133 53324 62356 54117 180347 6-DEOXY-HEXOSE_R2 91559 49831 168361 41075 62709 16524 197457 148300 73594 58739 68570 183749 6-Quinolincarboxylic Acid 1-Nitronaphthalene 569655 139088 31843 186847 149070 91889 136089 72848 29766 81479 7523 105172 7-(b-Hydroxyethyl)theophylline 23671 21843 35346 12649 6640 29786 72802 Acetaminophen/Paracetamol_R1 Acetaminophen 50318 27229 28590 57501 193219 120397 113103 75943 44189 112587 31118 74021 Acetaminophen/Paracetamol_R2 Acetaminophen 46675 9622 24091 17115 41621 36927 25657 65054 31963 23097 10366 27520 ADENOSINE Adenosine 10600000 4705386 4810963 6921186 7882912 3292499 9125838 7502421 8898345 5865755 1470797 8408823 AGMATINE SULFATE Agmatine 41100000 5707208 626512 6935878 13200000 5448964 5846314 7048123 9975772 6123496 811380 3808859 ALANINE/SARCOSINE Alanine/Sarcosine 47900000 49000000 52000000 52500000 72200000 54600000 90600000 107000000 67700000 84000000 63200000 117000000 ALDO/KETO-HEXOSE Hexose 20300000 15200000 13700000 15900000 22200000 18000000 18500000 14600000 24200000 19200000 11900000 16900000 ALDOPENTOSE Aldopentose 87843 65930 42972 75201 73386 67401 51478 64752 72118 53386 31714 80764 ALLANTOIN Allantoin 3029825 3076843 3821037 1773190 1135662 1131071 2368636 1178881 692363 716661 461479 715509 Allopurinol Allopurinol 22100000 12400000 8940375 16200000 22000000 23300000 14600000 21400000 12000000 11200000 8564159 25300000 ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE 394468 83970 131239 153216 488382 269908 246105 450137 142348 455093 102064 352524 Anthranilate 2-Aminobenzoic acid 215754 248338 391159 263997 154411 204186 373619 230729 148363 199573 324854 297959 ASPARTATE_R1 Aspartic acid 6049750 1656875 1435774 1503793 1543579 1999548 1265212 1084932 1392798 2892997 1093263 1317836 ASPARTATE_R2 Aspartic acid 109424 175692 76750 56508 39628 33171 126335 73610 60998 50925 53757 53682 BOC-D-Phenylalanine_R1 56200000 52800000 60300000 52600000 53000000 52800000 56400000 50900000 49400000 56200000 52000000 53000000 BOC-D-Phenylalanine_R2 129918 147371 160468 108641 146343 107991 100213 103161 106792 129287 112851 115149 BOC-L-Tyrosine Tyrosine 95600000 92200000 97600000 92500000 91500000 99400000 96700000 91000000 94800000 93100000 96700000 91600000 BUTYROBETAINE 3-Dehydroxycarnitine 5770357 5152920 3219538 5335703 4196177 3579413 4304334 7785588 3141474 5345700 3449272 8785486 Butyrylcarnitine CAR 4:0 99839 88799 121986 66515 80207 63685 128577 130454 49838 79999 75207 119092 C5-SUGAR ALCOHOL Dihydroxyquinoline 1234616 557123 1079262 1017034 622275 700140 818167 1172907 568360 931474 709942 1049178 Caffeine-D3 Caffeine 25600000 26900000 27600000 23200000 29300000 26500000 29500000 27700000 27700000 27500000 29000000 27000000 CARNOSINE_R1 Carnosine 769791 239719 180599 182727 515046 206976 250394 358471 186623 264497 139301 300187 CARNOSINE_R2 Carnosine 46838 24072 29967 38266 45721 425249 16619 34337 21254 172158 Choline Choline 156000000 77500000 155000000 103000000 131000000 110000000 189000000 119000000 82300000 109000000 115000000 175000000 Citrate+Na Citric acid 1077970 532904 1201169 1293470 636366 415547 1147557 1448917 579014 1627912 789155 1480769 Citrate+NH3 Citric acid 1496442 842446 1539554 2083491 881789 523452 1622111 1774164 654367 2277520 1197456 1689175 Citrate source fragment (+H and + NH3) 1338135 692551 1649387 1640577 808407 534605 1422208 1712004 785592 2096219 1063760 1885395 Citrate source fragment (+NH3)_R1 525947 269379 561804 643793 295494 198168 521774 639013 257233 758561 397914 650907 Citrate source fragment (+NH3)_R2 277274 139902 325702 340464 157287 110571 302077 349276 147895 423888 212492 383988 CITRULLINE Citrulline 903787 971986 2257514 1186463 655061 2588031 1681660 3221208 1548681 7601489 946370 5492837 CMP CMP 343840 296325 273689 455070 427072 394693 447022 975648 292839 418631 340301 837244 CREATINE Creatine 72140 49427 38311 23910 32806 23946 34255 32559 31013 35921 28272 36834 Creatine-D3_R1 Creatine 83300000 84700000 80400000 83800000 84900000 79500000 81500000 83000000 85200000 82800000 82000000 85900000 Creatine-D3_R2 Creatine 2441522 2804363 2209841 3977834 2648022 2465623 1593904 1891245 2628997 2399973 3267771 1995860 CYTIDINE Cytidine 238154 154421 137364 306169 398874 260296 294332 436061 196616 230970 233538 744694 CYTIDINE 2^_3^-CYCLIC MONO-PHOS-PHATE 2',3' cyclic CMP 27752 20399 6432 25379 37391 33457 25899 44323 25070 22745 6255 117269 CYTIDINE 5^-DIPHOSPHOCHOLINE CDP-choline 142328 101830 108966 119270 85335 79607 161416 258233 96713 153211 135951 213656 CYTOSINE_R1 Cytosine 397312 477308 669379 297721 324636 292518 1106840 544533 321342 328556 656058 493079 CYTOSINE_R2 Cytosine 98928 91605 90863 134055 124337 119438 116486 273301 99059 130335 104645 219606 D-(+)-GALACTOSAMINE Galactosamine 14800000 2769770 3494384 6851102 4468711 5102014 2551861 18800000 3760613 3135452 52696 7038977 D-GLUCOSAMINE 6-PHOSPHATE Glucosamine 6-phosphate 879826 261885 242825 460414 408020 256404 353454 262386 250514 240077 170840 243180 Dimer of Lactose 15801 250901 374904 282828 869337 335182 761970 647187 872460 388418 323738 676710 DL-5-HYDROXYLYSINE 5-Hydroxylysine 57541 18219 75893 46288 69888 55990 77238 49739 53668 33234 32797 72001 DOPAMINE Dopamine 1049270 652210 253433 169471 383600 178827 322755 511766 228094 564017 455207 288261 D-(+)-RAFFINOSE Raffinose 216893 281398 286373 293297 1936194 927995 1276919 1382213 2048030 1025293 776349 1816149 D-Ribose Ribose 93286 70132 111342 125347 112408 120033 155846 126460 117908 112486 91155 148675 Ergothioneine Ergothioneine 4272 67346 4251 11241 8370 ETHANOLAMINE PHOSPHATE Phosphoethanolamine 1880615 2432196 2497792 2742003 2813071 2886590 3206790 3532382 2075243 2704501 1957483 3116094 Formyl-5-hydroxykynurenamine Formyl-5-hydroxykynurenamine 206226 160592 226797 166298 189819 195965 153127 186316 181860 200984 170356 211224 Formylkynurenine_R1 N-Formyl-L-kynurenine 399112 320810 433977 308683 314441 351397 336629 332166 351035 411663 306966 372679 Formylkynurenine_R2 N-Formyl-L-kynurenine 36297 40104 45208 33915 37369 42709 30367 29511 37244 41682 31355 30196 GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE_R1 Gluconic acid/Gulonolactone 583637 353423 817343 479689 755981 218913 2057430 1211163 1481170 2658366 606970 1144534 GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE_R2 Gluconic acid/Gulonolactone 138808 106885 102499 93395 95576 80941 79732 81153 78236 107830 111263 86827 GLUCOSAMINE/MANNOSAMINE 10400000 4763537 4648385 6355452 8026014 6022578 9962226 12700000 10600000 9782430 5579796 6075554 GLUCOSE/FRUCTOSE-PHOSPHATE 216417 118755 113379 160927 266681 227375 281883 187596 259762 246690 147881 210709 GLUTARATE Glutaric acid 2926 5441 5494 10407 6048 3466 GLYCEROL Glycerol 734979 275294 287083 428411 494818 520409 727711 506463 607640 905357 254826 482438 Glycerophosphocholine sn-Glycero-3-phosphocholine 234000000 121000000 124000000 138000000 123000000 80100000 159000000 183000000 95600000 109000000 71800000 155000000 GLYCINE Glycine 10100000 8211928 7207581 8958486 6210115 5530360 5479329 7042821 4410570 6458532 4750925 9118601 Glycyl-L-leucine Gly-Leu 1043360 391463 604594 354639 378967 350988 601097 766691 186032 265532 308898 902304 GUANIDINOACETATE Guanidoacetic acid 265269 907701 384795 849757 838469 656690 1235852 821980 709309 979092 712936 1072775 HEXOSE-6-PHOSPHATE Hexose 6-phosphate 7787034 4069721 4088768 5482425 4403487 4351094 4244850 4901389 2928001 2930680 1508630 5211404 HEXOSE-DISACCHARIDE_R1 Hexose disaccharide 1209799 5126266 6545811 5409137 9432906 4863360 10200000 8413402 11500000 6325302 6389147 8458689 HEXOSE-DISACCHARIDE_R2 Hexose disaccharide 2205430 3469443 3246790 1692536 2867410 3392555 4955665 5409804 4294234 2845710 2303120 3801833 HISTAMINE Histamine 83700000 115000000 78000000 50600000 47900000 51800000 86900000 58600000 28200000 56100000 35500000 57200000 HYPOXANTHINE Hypoxanthine 97900000 23200000 26800000 29400000 21500000 30100000 38600000 51000000 15800000 33700000 20500000 45300000 Isobutyrylcarnitine CAR 3:0;2Me 294700 138756 167376 115636 135082 105205 259241 225001 82375 139989 101982 289178 ISOCITRIC ACID_R1 Isocitric acid 27643 78266 142526 96772 81872 42767 79354 34095 67295 115369 156496 52082 ISOCITRIC ACID_R2 Isocitric acid 55216 30223 67269 77212 43440 13884 62707 67452 38991 57011 47916 72385 Isocytosine 2-Amino-4-hydroxypyrimidine 286607 183515 176309 294599 401381 272402 268850 464963 226131 256967 244297 790893 Kynurenic Acid Kynurenic acid 58000000 14400000 7019094 5087197 11800000 13600000 17100000 10400000 3264904 7339325 2160339 9127630 Lactose Lactose 57056 87351 75184 179201 59426 234297 167446 203478 64958 67594 164202 Lactose+K Lactose 31184 158083 193307 177860 358587 194757 368248 387381 420404 256241 231655 374510 L-ALLOTHREONINE Allothreonine 92136 129390 45329 59612 65836 110135 63056 44519 96764 42245 113261 154615 L-ARGININE Arginine 329000000 309000000 286000000 309000000 207000000 219000000 214000000 340000000 165000000 254000000 191000000 332000000 L-ASPARAGINE Asparagine 26900000 14600000 12800000 15800000 17900000 13600000 14500000 16400000 7887478 10200000 7081811 20000000 L-CARNITINE Carnitine 40500000 30000000 34600000 41800000 36200000 26100000 58700000 58800000 21100000 28300000 56200000 60800000 L-CYSTATHIONINE_R1 Cystathionine 277696 408125 398581 335793 282998 263832 233496 283095 261556 207214 96437 211742 L-CYSTATHIONINE_R2 Cystathionine 270949 66225 65513 64553 62855 88656 104066 55584 22993 70525 L-CYSTEINE Cysteine 700477 357905 338337 312851 615541 303877 402264 288430 288281 399770 404471 556870 L-Cystine Cystine 325029 110581 120248 95849 197084 211532 101068 145148 142806 339604 134284 185904 Leu Pro_R1 Leu-Pro 2248001 698831 385117 802026 482535 883648 611110 1030951 222450 335474 204085 646966 Leu Pro_R2 Leu-Pro 1172349 324641 738665 306174 369382 274034 539246 301093 119215 219822 137475 531996 L-GLUTAMINE Glutamine 208000000 163000000 189000000 166000000 177000000 159000000 186000000 254000000 116000000 211000000 153000000 256000000 L-HISTIDINE Histidine 144000000 54300000 70400000 69900000 70200000 41100000 74500000 86600000 30100000 45400000 30400000 114000000 L-Isoleucine Isoleucine 134000000 57100000 74300000 66700000 80100000 50700000 68400000 74300000 44100000 47500000 39800000 97500000 L-KYNURENINE Kynurenine 3668775 2841533 2217653 2831290 4268845 5543308 7098347 2772205 2367062 4515075 2661290 3877465 LL-2_6-DIAMINOHEPTANEDIOATE_R1 2,6-Diaminopimelic acid 283600 469180 135003 156976 250814 342616 232238 329507 279805 310529 75073 197027 LL-2_6-DIAMINOHEPTANEDIOATE_R2 2,6-Diaminopimelic acid 552217 237746 217180 283570 257884 251182 264004 375120 137552 180666 88705 395510 L-(+)-Lactic Acid_R1 Lactic acid 56668 28185 61319 29811 114369 45951 135391 104954 94764 38545 46998 82388 L-(+)-Lactic Acid_R2 Lactic acid 24982 5771 13593 25430 23917 9777 8758 13934 L-LEUCINE Leucine 191000000 77900000 91600000 106000000 74500000 103000000 131000000 55700000 59400000 47500000 134000000 L-Leucine 13C6 Leucine 43600000 47800000 44100000 49500000 54400000 44400000 51400000 45700000 51700000 48500000 53300000 54800000 L-LYSINE Lysine 49800000 14100000 14900000 20800000 27700000 16500000 23300000 19800000 16200000 11400000 11200000 26500000 L-METHIONINE Methionine 18700000 7698688 8120400 11000000 7367424 5312548 11500000 20300000 2987134 4004262 5514674 19800000 L-PROLINE Proline 976000000 769000000 669000000 1010000000 499000000 376000000 473000000 741000000 373000000 536000000 424000000 740000000 L-SERINE Serine 30800000 18200000 15800000 21300000 24900000 15400000 15900000 21500000 14800000 18900000 13400000 27900000 Methionine Sulfoxide Methionine sulfoxide 64500000 55900000 56400000 51100000 60300000 31600000 71100000 56000000 41400000 33600000 40200000 64800000 METHYL BETA-D-GALACTOSIDE Methyl beta-D-galactoside 920071 708912 170178 798415 793896 1464045 867961 1201300 738605 109735 180222 695244 N-Acetyl-Arginine N-Acetylarginine 212583 233420 380736 199963 97871 111423 247830 459398 54481 158431 88635 291203 N-ACETYL-DL-GLUTAMIC ACID N-Acetylglutamic acid 1859836 2771716 2381700 2809363 2602277 2951128 3203713 5106824 2264403 4941169 3417084 5356142 N-ACETYL-DL-SERINE N-Acetylserine 170977 133564 174037 125474 127876 96194 158886 187716 75009 128666 90317 213904 N-ACETYLGLYCINE N-Acetylglycine 1800424 2305128 2236717 1830806 2262740 1298478 4508820 6341962 610827 4081519 5503664 3091887 N-ACETYL-HEXOSAMINE N-Acetylhexosamine 775406 45178 32010 44033 55299 46131 334952 24195 36195 34984 102285 N-ACETYL-L-ASPARTIC ACID N-Acetylaspartic acid 15108 50666 47927 49568 85910 50914 66863 36533 67883 43453 96667 N-ACETYLNEURAMINATE N-Acetylneuraminic acid 1177503 277578 268437 468893 265850 301355 286782 2239605 139189 220966 65935 683135 N-ACETYLPUTRESCINE N-Acetylputrescine 2422859 3099740 3228205 2958179 3641689 3302744 4353219 4057294 2505104 3472322 2278473 3968263 N-ALPHA-ACETYL-L-LYSINE N(2)-Acetyllysine 76827 52707 73479 62431 110158 78259 73302 138292 53853 132345 35633 108764 N-BOC-L-Aspartic Acid_R1 Aspartic acid 12000000 12800000 12300000 12700000 13300000 14000000 13800000 12700000 13200000 13000000 13000000 12900000 N-BOC-L-Aspartic Acid_R2 Aspartic acid 307451 325579 292149 314681 306709 353114 311048 311940 298731 340239 292328 309267 N-BOC-L-tert-Leucine 15000000 14900000 15100000 14100000 14700000 15600000 16300000 15000000 13500000 14300000 15300000 14100000 N-BOC-L-Tryptophan Tryptophan 42800000 37100000 48200000 34400000 35700000 39800000 37000000 37800000 36600000 41200000 36300000 36300000 NEPSILON_NEPSILON_NEPSILON-TRIMETHYLLYSINE N-6-Trimethyllysine 75000000 57600000 69600000 55800000 58600000 50500000 70500000 67500000 41500000 59000000 47100000 66900000 NICOTINAMIDE Niacinamide 6331405 10500000 6519432 5613198 7865711 7085872 13900000 11800000 5153139 12400000 17300000 12100000 NICOTINAMIDE MONONUCLEOTIDE Nicotinamide ribotide 231637 125437 164067 129261 427408 189460 266854 116642 218338 136059 115422 145736 N-METHYL-D-ASPARTIC ACID N-Methyl-D-aspartic acid 221000000 192000000 201000000 187000000 153000000 135000000 138000000 193000000 106000000 141000000 107000000 176000000 N(PAI)-METHYL-L-HISTIDINE 3-Methylhistidine 21100000 14200000 17100000 11900000 15000000 10300000 16300000 17800000 10600000 13200000 7053216 17100000 ORNITHINE Ornithine 2324706 522151 1743127 632411 1093445 426864 1005447 760242 533631 774633 578130 1524652 Orthophosphate Phosphoric acid 11800000 9757323 10300000 11000000 8991484 8859745 11500000 11800000 7668782 8063930 4758468 12200000 Pantothenic Acid Pantothenic acid 3970309 6350822 5234700 4793269 2499705 5016830 3616723 4987192 2719770 6217916 2334821 4974369 PEG n5 Pentaethylene glycol 2243751 3450394 2313969 2127823 2284014 3521424 2849132 2924342 6405235 3957873 3504338 3538893 Phenylalanine Phenylalanine 319000000 66900000 79300000 148000000 10200 110000000 126000000 46500000 50300000 29900000 115000000 Phenylalanine-HCOOH 63200000 12400000 14800000 14400000 27000000 16000000 19600000 24400000 8278425 9311980 4493916 20700000 PHOSPHOCHOLINE_R1 Choline phosphate 362000000 292000000 221000000 327000000 262000000 210000000 269000000 473000000 209000000 267000000 205000000 448000000 PHOSPHOCHOLINE_R2 Choline phosphate 271564 237400 163625 201238 171193 143871 186635 388111 133803 200223 130018 307555 PHOSPHO(ENOL)PYRUVIC ACID Phosphoenolpyruvic acid 48521 15281 20654 25751 61910 12705 127135 94903 40006 26135 33116 80172 PICOLINIC ACID Picolinic acid 19700000 45900000 35600000 13700000 33600000 18400000 73000000 44000000 10100000 63900000 95800000 37100000 PIPECOLATE/L-PIPECOLIC ACID_R1 Pipecolic acid 2969514 582572 828818 1271456 462425 464294 400524 783660 415629 446208 238625 898969 PIPECOLATE/L-PIPECOLIC ACID_R2 Pipecolic acid 776271 223596 336823 300960 321485 277031 332240 313136 205289 367043 238625 325364 Proprionylcarnitine CAR DC3:0 687399 437568 487169 711984 535805 863550 952856 810199 1028421 812696 655533 835217 PUTRESCINE Putrescine 8698251 1587961 1190951 1454970 7700077 3931085 4817305 2577413 5326725 4036454 1941695 2539813 PYRIDOXAL Pyridoxal 182886 192224 141458 200543 187928 248026 186866 308683 181584 193015 149521 207879 RIBOFLAVIN Riboflavin 818711 672489 490464 365957 640771 565102 324089 354064 353257 201626 80254 225977 (R)-MALATE D-Malic acid 787869 448753 545071 722843 944425 470083 980625 1610303 822428 681135 655840 1879475 SEROTONIN-NH3 Serotonin 37957 67047 32556 35945 33314 29280 51346 56601 25256 15809 22613 55506 SEROTONIN_R1 Serotonin 4722404 2850113 2803330 3676415 1983242 1769704 1844545 3235114 2020924 1522348 1456318 2960538 SEROTONIN_R2 Serotonin 2697547 1761333 1538625 2143090 1467104 1460086 1800186 1426916 1395730 1101940 1437961 1692278 SN-GLYCEROL 3-PHOSPHATE sn-Glycero-3-phosphate 5627562 4890944 3852690 5282010 12900000 9554990 18800000 14900000 18600000 11900000 10100000 16000000 (S)-NICOTINE Nicotine 149000000 196000000 202000000 218000000 121000000 129000000 227000000 399000000 66700000 290000000 219000000 245000000 Source Fragment TRP 140751 143471 156442 161379 125158 235285 101365 91041 99703 103259 62923 122912 Stachydrine Stachydrine 6718003 3763909 3109984 1917034 4621605 3114574 8605491 5669779 1935960 4911548 3931537 5428336 STACHYOSE Stachyose 12984 33959 49791 25090 256827 84332 304193 288391 391223 238756 181281 218733 SUCCINATE Succinic acid 365401 417849 437032 443528 372181 308486 467444 480142 282338 384218 283001 586403 TAURINE Taurine 63600000 82600000 72400000 87400000 71700000 67800000 67600000 84700000 63200000 87700000 78100000 84400000 THIAMINE Thiamine 151591 25420 14863 26098 59459 66296 29532 19415 25823 33145 20237 19880 THREONINE/HOMOSERINE Threonine/Homoserine 49300000 19200000 20400000 24000000 28700000 19400000 19700000 25500000 17700000 17200000 14000000 33700000 THYMINE Thymine 80565 72750 72236 63355 86435 67029 69544 70408 71396 86313 67551 77100 Trigonelline Trigonelline 2830464 2851869 2382409 1990525 2476934 1390605 3780019 3927146 2476408 3294569 2959421 4320613 Tryptophan Tryptophan 35700000 28300000 32200000 37700000 30000000 50700000 21800000 21500000 20100000 22400000 9582690 26400000 Tryptophan-2_3_3-D3 Tryptophan 111000000 120000000 111000000 120000000 122000000 124000000 118000000 111000000 117000000 118000000 116000000 116000000 Tryptophan-2_3_3-D3-NH3 Tryptophan 40700000 40700000 42000000 40100000 40900000 44800000 39700000 40400000 39100000 40300000 39400000 38800000 Tryptophan-NH3 Tryptophan 13800000 10100000 12900000 13600000 10900000 20000000 7836064 8547304 7190805 7925502 3348862 9419116 TYRAMINE Tyramine 3019 404739 5136 518599 609092 4734 515162 448850 312166 361905 572239 725839 URACIL Uracil 778496 703680 712209 654769 927888 648721 794751 1052541 810364 985243 628301 1564986 URATE Uric acid 212000000 76900000 91800000 47600000 65100000 87500000 187000000 141000000 38100000 31900000 14400000 54300000 URIDINE Uridine 151412 92424 86157 84178 285616 206884 164948 159214 232103 151020 81825 282588 URIDINE-5-MONOPHOSPHATE UMP 692176 650465 717098 924559 613952 652955 861091 1371251 402077 659718 607005 1158539 Xanthurenic Acid Xanthurenic acid 6831833 34600 87200 175716 2592990 610542 889822 347883 246418 451077 70094 223297