metabolite_name FMT1 FMT2 FMT3 FMT4 FMT5 FMT6 FMT7 FMT8 FMT9 FMT10 FMT11 FMT12 FMT13 FMT14 FMT15 FMT16 FMT17 FMT18 Adenine 4.3 4.0 8.0 4.8 4.7 3.6 6.0 0 7.6 6.1 6.0 5.3 4.9 3.8 4.4 5.5 6.5 7.8 Adenosine 19 9.5 15 21 19 15 22 11 15 23 15 18 10 10 9.0 7.1 7.4 16 ADMA 43 21 23 18 22 19 34 11 24 34 35 25 14 15 12 11 11 15 Agmatine 13 5.9 7.0 3.8 4.2 4.5 12 4.8 9.1 6.5 7.6 7.8 2.7 2.3 3.1 2.8 4.0 3.8 Ala 2847 1300 1690 932 907 1150 2388 1340 1723 954 932 854 447 413 457 746 818 956 Ala-Ala 648 203 336 261 206 228 499 153 363 191 195 164 84 48 73 112 149 179 Allantoin 200 166 137 223 145 216 294 199 494 156 63 15 131 86 100 127 133 572 alpha-Aminoadipate 31 24 28 28 27 26 35 31 36 31 32 24 27 21 19 20 25 27 Alpha-Methylserine 16 9.8 10 9.5 6.2 11 33 14 26 16 13 17 11 0 12 9.8 15 0 Arg 1578 436 779 428 444 327 947 301 708 542 833 529 219 213 206 306 378 426 Asn 936 357 566 141 209 213 723 249 527 51 227 70 106 125 118 134 136 134 Asp 2487 1070 1257 975 1267 1134 2209 992 1586 923 1276 812 312 463 495 417 491 651 beta-Ala 231 46 53 50 41 39 144 30 72 150 88 69 35 29 31 32 37 48 beta-Imidazolelactate 59 0 37 22 42 43 70 55 74 64 67 65 0 0 0 0 0 0 Betaine 40 40 65 74 96 94 86 102 64 131 150 122 67 98 65 31 50 60 Betonicine 0 15 0 0 0 0 0 0 0 0 0 0 0 0 0 6.5 0 12 Cadaverine 31 18 24 9.7 12 13 16 11 16 21 19 16 14 12 21 15 19 15 Carnitine 22 22 14 21 26 19 45 16 27 75 101 61 45 39 48 35 48 59 Choline 116 120 91 96 108 117 135 139 130 98 56 72 85 94 103 73 90 101 Citrulline 70 62 38 57 56 62 47 48 53 279 86 226 58 67 56 99 77 201 Creatine 18 27 9.8 16 15 30 30 97 15 14 6.9 11 77 675 51 48 32 461 Creatinine 8.7 7.0 13 9.4 9.4 11 9.8 23 11 8.7 8.1 9.5 13 18 15 15 14 31 Cyclohexylamine 2.5 2.2 0 0 0 0 0 0 0 0 3.0 0 0 0 0 0 0 2.7 Cytidine 11 0 0 12 10 8.9 0 0 0 25 11 23 0 0 0 0 0 0 Cytosine 0 0 0 0 0 0 21 15 20 0 6.1 5.4 5.2 4.9 0 0 0 0 Diethanolamine 49 13 32 5.3 29 19 22 124 68 61 75 37 63 3.0 12 44 8.4 26 Ectoine 5.3 4.2 4.3 3.6 5.3 4.5 5.8 5.8 6.4 5.2 4.2 5.0 4.0 3.0 3.5 3.7 3.5 3.8 GABA 112 92 78 43 65 64 75 160 84 77 36 94 56 56 44 100 95 73 gamma-Butyrobetaine 324 133 210 154 136 159 217 85 161 201 291 266 90 77 76 118 149 128 gamma-Glu-2AB 154 96 97 111 134 99 139 89 150 0 0 0 0 0 0 0 0 0 gamma-Guanidinobutyrate 28 25 24 14 22 24 22 61 28 6.1 4.8 6.4 8.6 6.7 9.2 8.8 9.8 12 Gln 828 438 580 334 384 479 448 281 440 320 339 320 223 195 214 218 265 458 Glu 34744 22198 15983 15128 18105 16346 22498 13800 20363 11529 10589 9333 4334 4472 4165 5504 6567 10481 Glucosaminate 15 9.2 15 8.0 9.1 5.7 0 9.8 0 12 0 0 0 0 0 0 0 0 Glucosamine 56 0 52 0 0 0 58 0 67 68 70 69 33 39 37 34 36 26 Gly 821 533 745 691 771 854 1288 775 1044 638 903 585 488 557 409 352 365 707 Glycerophosphorylcholine 40 56 29 36 34 32 35 32 0 0 0 0 0 0 0 0 0 0 Gly-Gly 26 23 24 22 24 29 25 23 24 20 21 14 15 15 11 13 8.9 15 Gly-Leu 57 38 42 48 53 44 64 47 56 39 35 36 29 39 30 25 26 38 Guanidinoacetate 6.5 4.5 2.8 2.9 4.9 5.9 0 8.7 3.9 3.1 0 0 0 8.1 0 3.8 0 13 Guanidinosuccinate 0 0 0 0 10 12 11 0 0 0 0 0 0 0 0 0 0 0 Guanine 51 49 55 48 61 56 70 86 82 45 44 51 88 90 102 67 83 76 Guanosine 0 0 0 0 0 0 0 0 0 28 0 17 0 0 0 0 0 0 His 331 108 196 140 157 129 257 106 218 211 322 206 111 97 108 117 148 140 Histamine 22 14 17 6.9 7.4 5.8 12 7.4 13 8.6 11 8.2 12 7.9 15 11 8.9 10 Homoserine 53 61 52 32 39 41 39 29 44 39 32 40 40 29 39 30 39 30 Homovanillate 96 73 28 41 39 22 131 131 130 93 29 88 0 0 0 0 0 0 Hydroxyproline 123 55 82 313 435 507 802 1617 990 193 196 162 113 111 38 49 49 57 Hypoxanthine 9.8 7.9 9.0 24 28 23 10 8.2 11 75 19 54 10 11 7.4 5.7 8.9 16 Ile 167 99 96 43 58 78 111 73 89 63 60 71 40 61 59 89 120 300 Indole-3-acetaldehyde 904 625 755 748 723 713 967 923 1068 686 724 676 566 426 581 620 551 636 Indole-3-acetamide 103 85 89 61 80 77 71 98 105 64 91 61 47 46 56 77 62 70 Inosine 45 13 21 92 140 125 55 0 0 428 231 420 19 21 0 0 18 36 Isopropanolamine 252 35 72 80 71 49 134 27 103 15 21 117 0 0 0 0 0 8.6 Leu 432 308 234 89 103 134 207 146 143 140 125 149 93 117 114 207 249 691 Lys 5109 1774 2282 2259 2313 2033 3388 1565 2884 3081 3463 3141 1456 1330 1415 1556 2061 2117 Mannosamine 92 57 88 74 83 69 138 85 100 0 0 0 0 0 0 0 0 0 Met 257 152 160 114 137 146 212 116 157 174 135 147 65 70 71 105 113 187 Methionine sulfoxide 61 67 83 54 74 75 71 81 89 59 33 71 75 73 82 89 112 165 N1,N12-Diacetylspermine 4.8 1.5 3.4 0 0 1.7 1.7 0 0 2.8 0 0.96 1.0 0 0 1.6 1.7 1.5 N1,N8-Diacetylspermidine 143 43 72 53 57 49 61 30 58 52 8.8 11 6.5 5.6 5.9 100 61 82 N1-Acetylspermidine 180 74 121 71 57 79 114 24 72 80 174 55 20 12 16 57 25 27 N6,N6,N6-Trimethyllysine 19 7.0 10 8.6 9.9 10 15 9.5 14 19 16 18 35 14 11 55 12 55 N8-Acetylspermidine 22 5.5 14 11 8.6 11 13 4.7 8.6 7.6 0 5.8 2.2 2.4 2.7 9.8 3.9 4.3 N-Acetylglucosamine 184 95 0 0 118 138 84 0 147 0 0 0 0 0 0 0 0 132 N-Acetylglucosylamine 0 0 72 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-Acetylornithine 31 15 21 17 16 19 23 16 22 19 17 17 12 10 7.2 10 14 15 N-Acetylputrescine 240 97 133 163 204 184 284 194 234 475 71 172 59 36 32 29 43 91 N-epsilon-Acetyllysine 48 25 22 23 26 24 36 19 33 28 30 28 15 14 19 15 20 18 Nicotinamide 63 35 41 55 46 43 63 43 52 102 71 100 53 48 58 40 64 61 N-Methylalanine 0 0 0 0 0 0 0 0 0 6.1 0 5.9 5.6 0 8.0 0 5.6 6.3 o-Acetylcarnitine 0 0 0 0 0 0 0 0 0 2.1 0 0 0 4.0 0 0 0 0 O-Acetylserine 43 15 25 15 10 0 0 0 0 20 16 0 0 0 0 0 0 0 Ophthalmate 77 33 52 65 76 61 84 57 71 0 0 0 0 0 0 0 0 0 Ornithine 342 339 145 83 95 149 161 147 147 117 135 107 65 76 73 88 103 151 p-Aminobenzoate 0 0 0 0 0 0 0 0 0 0 0 0 5.9 0 6.5 0 0 0 Phe 179 85 100 47 63 64 118 64 86 60 56 69 41 73 51 65 85 163 Phosphorylcholine 127 80 56 142 144 87 182 86 89 126 76 69 27 18 0 29 34 28 Pipecolate 80 42 52 44 59 51 73 69 72 71 47 81 51 62 69 64 66 72 Pro 1979 701 1135 1840 3134 2201 3861 6095 3644 1853 1759 1712 824 654 417 669 723 844 Putrescine(1,4-Butanediamine) 59 33 43 25 27 34 40 19 39 76 43 42 17 19 25 22 17 28 Pyridoxal 23 15 15 8.8 12 13 15 13 16 17 10 17 16 14 15 13 16 14 Pyridoxamine 2.7 0 0 0 0 0 0 0 0 3.2 0 0 0 0 0 0 0 0 Pyridoxamine 5'-phosphate 22 0 8.9 0 11 0 21 0 0 11 17 12 0 0 0 0 0 0 Saccharopine 26 15 19 33 40 38 36 27 47 13 12 0 0 0 0 0 0 0 SAM+ 48 17 21 32 24 23 58 22 39 45 88 73 11 8.5 10 9.5 11 13 Sarcosine 66 65 63 70 66 103 82 91 66 112 139 97 125 152 53 67 58 103 SDMA 23 11 12 14 14 13 14 11 16 22 21 19 9.8 8.3 11 9.4 11 11 Ser 718 403 449 482 562 596 831 550 765 678 395 528 351 373 335 259 297 554 Serotonin 12 0 12 14 9.7 10 0 12 14 16 19 9.9 8.8 11 17 12 11 0 Spermidine 385 68 138 70 68 82 156 32 122 183 130 120 29 28 41 40 33 39 Synephrine 0 0 26 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Taurine 1458 999 878 1025 1466 3007 963 2034 1096 1719 1289 2414 214 2084 107 119 88 190 Thiamine 9.7 0 6.2 8.5 12 11 12 7.6 12 20 17 21 13 18 34 43 39 31 Thr 433 212 279 262 299 273 550 200 389 316 474 300 114 137 131 112 160 226 Thymidine 114 79 89 77 74 58 110 0 86 84 101 107 56 0 78 82 0 78 Thymine 120 122 114 168 150 173 154 158 153 175 137 163 101 115 109 114 104 124 Trigonelline 4.8 5.9 4.3 2.8 4.3 5.5 5.1 11 3.9 0 0 0 0 9.8 0 0 0 0 Trp 136 47 59 60 69 59 127 34 91 87 84 92 29 38 34 37 56 63 Tryptamine 4.4 0 5.6 0 0 0 3.6 0 4.6 0 0 0 0 0 0 0 0 0 Tyr 520 156 226 142 176 148 415 122 248 193 225 276 63 105 87 155 212 289 Tyramine 34 25 20 11 12 14 8.8 6.9 15 16 13 11 7.4 5.4 9.1 5.9 5.2 12 Uracil 0 0 0 0 0 0 0 0 0 55 58 0 0 0 0 0 0 0 Urea 0 0 58 40 0 0 0 0 0 0 0 42 34 0 0 0 0 0 Uridine 336 115 108 131 138 119 294 269 282 386 193 258 103 74 112 94 87 113 Urocanate 23 13 12 20 18 15 16 9.1 11 35 16 32 9.1 8.7 7.6 5.1 7.8 23 Val 572 373 275 146 177 229 354 265 291 283 200 225 182 219 209 339 381 931 Xanthine 0 0 0 0 0 0 0 0 0 224 0 167 0 0 0 0 0 0 Xanthurenate 0 0 0 0 0 0 0 0 9.0 0 0 0 0 0 0 0 0 0 1-Methylnicotinamide 41 19 20 22 23 21 22 7.2 16 0 0 0 0 5.1 0 0 0 0 1,3-Diaminopropane 0 0 0 0 0 0 0 0 0 6.5 0 11 0 0 0 0 0 0 2AB 251 106 126 58 69 79 137 73 110 178 154 144 78 59 80 122 175 129 3-Aminoisobutyrate 129 101 83 50 102 120 138 129 98 84 12 17 3.7 8.8 8.9 10 9.9 12 3-Aminopropane-1,2-diol 51 23 30 32 35 31 54 25 46 37 47 35 14 11 9.2 20 21 18 3-Hydroxyanthranilate 0 30 9.8 0 0 18 146 18 24 0 18 0 0 0 13 75 17 20 3-Methylhistidine 11 6.5 7.8 6.2 7.9 7.3 8.1 5.8 6.9 9.7 9.6 8.6 5.1 3.0 3.7 6.1 5.8 10 4-(beta-Acetylaminoethyl)imidazole 16 11 9.8 3.8 4.0 3.1 6.1 5.3 5.0 5.6 5.9 4.3 8.1 6.2 13 9.1 11 9.4 4-Hydroxymethylimidazole 8.0 5.4 4.2 6.2 5.4 6.4 7.2 5.6 8.4 6.7 7.1 7.9 8.6 6.9 10 5.5 9.3 6.8 5-Aminolevulinate 0 10 0 8.1 8.7 7.3 20 13 14 16 11 10 9.6 9.1 13 10 15 12 5-Aminovalerate 51201 3885 31871 6825 9425 16397 7395 11899 8969 3189 2223 3857 8464 7080 571 6819 7601 7163 5-Hydroxyindoleacetate 1510 1232 1316 826 912 849 820 825 908 1205 923 990 752 710 955 767 864 700 5-Hydroxylysine 144 75 77 72 81 73 88 55 82 80 152 89 5.8 35 14 7.5 8.9 9.8 5-Methylthioadenosine 13 6.2 5.6 12 9.2 8.0 17 9.6 13 21 29 29 4.9 5.5 5.8 5.3 7.6 6.2 6-Aminohexanoate 0 0 0 0 0 0 0 0 0 0 0 11 8.2 5.5 19 6.3 23 11 6-Hydroxynicotinate 55 33 31 51 48 26 61 32 51 0 0 0 0 0 0 0 0 0 7-Methylguanine 27 15 21 18 26 22 22 17 23 19 14 14 0 0 0 0 0 0 metabolite_name RefMet name Formula Mass MW structure KEGG ID quantitated m/z retention times Adenine Adenine C5H5N5 135.0545 37038 C00147 136.0613661 11.11578063 Adenosine Adenosine C10H13N5O4 267.0968 37045 C00212 268.1040275 14.25856178 ADMA Dimethylarginine C8H18N4O2 202.143 37857 C03626 203.1479849 11.19762165 Agmatine Agmatine C5H14N4 130.1218 37797 C00179 131.1288463 7.541970319 Ala Alanine C3H7NO2 89.0477 37109 C00041 90.05523397 13.08768025 Ala-Ala Ala-Ala C6H12N2O3 160.084793 78656 C00993 161.0919248 13.43278646 Allantoin Allantoin C4H6N4O3 158.044 50218 C01551 159.0606065 30.16124392 alpha-Aminoadipate Aminoadipic acid C6H11NO4 161.0688 2017 C00956 162.0756897 15.78383852 Alpha-Methylserine Alpha-Methylserine C4H9NO3 119.058244 78601 C02115 120.065469 14.9611186 Arg Arginine C6H14N4O2 174.1117 37289 C00062 175.1190553 10.40115416 Asn Asparagine C4H8N2O3 132.0535 37114 C00152 133.0609177 15.08741597 Asp Aspartic acid C4H7NO4 133.0375 37126 C00049 134.0450518 16.55239501 beta-Ala beta-Alanine C3H7NO2 89.0477 37049 C00099 90.05517983 10.7138078 beta-Imidazolelactate C05568 157.0631238 12.82569689 Betaine Betaine C5H11NO2 117.079 37042 C00719 118.0864536 16.21922653 Betonicine Betonicine C7H13NO3 159.0895 43824 C08269 160.0960398 18.74705213 Cadaverine Cadaverine C5H14N2 102.1157 38124 C01672 103.123005 7.325844391 Carnitine Carnitine C7H15NO3 161.1052 42914 C00318 162.1120293 12.37780825 Choline Choline C5H14NO 104.1075 37073 C00114 104.1073502 10.03469472 Citrulline Citrulline C6H13N3O3 175.0957 37494 C00327 176.1028341 15.9096643 Creatine Creatine C4H9N3O2 131.0695 37054 C00300 132.0769637 12.87027956 Creatinine Creatinine C4H7N3O 113.0589 37310 C00791 114.0663429 10.66721381 Cyclohexylamine Cyclohexylamine C6H13N 99.1048 44859 C00571 100.1123225 11.25419629 Cytidine Cytidine C9H13N3O5 243.0855 37069 C00475 244.09516 14.00455785 Cytosine Cytosine C4H5N3O 111.0433 37339 C00380 112.0503272 10.59376582 Diethanolamine Diethanolamine C4H11NO2 105.079 38524 C06772 106.0863044 11.15933659 Ectoine Ectoine C6H10N2O2 142.0742 51381 C06231 143.081051 13.69350881 GABA gamma-Aminobutyric acid C4H9NO2 103.0633 1864 C00334 104.0709655 11.21602149 gamma-Butyrobetaine 3-Dehydroxycarnitine C7H15NO2 145.1103 39059 C01181 146.1176037 11.75791704 gamma-Glu-2AB - 233.113306 17.74993166 gamma-Guanidinobutyrate 4-Guanidinobutanoic acid C5H11N3O2 145.0851 38341 C01035 146.0927361 12.05088621 Gln Glutamine C5H10N2O3 146.0691 37346 C00064 147.076453 15.47766086 Glu Glutamic acid C5H9NO4 147.0532 37101 C00025 148.060173 15.72363775 Glucosaminate Glucosaminic acid C6H13NO6 195.0743 49871 C03752 196.0826662 17.09245724 Glucosamine Glucosamine C6H13NO5 179.0794 44201 C00329 180.0875658 13.40966179 Gly Glycine C2H5NO2 75.032 37085 C00037 76.03964458 12.07206631 Glycerophosphorylcholine sn-Glycero-3-phosphocholine C8H20NO6P 257.1028 58812 C00670 258.1129011 29.75487709 Gly-Gly Gly-Gly C4H8N2O3 132.053493 78803 C02037 133.060193 12.175084 Gly-Leu Gly-Leu C8H16N2O3 188.116093 78806 C02155 189.1239906 14.15930873 Guanidinoacetate Guanidoacetic acid C3H7N3O2 117.0538 37090 C00581 118.0608587 11.97762055 Guanidinosuccinate Guanidinosuccinic acid C5H9N3O4 175.0593 38261 C03139 176.0673553 14.59713731 Guanine Guanine C5H5N5O 151.0494 37093 C00242 152.0566593 12.05592025 Guanosine Guanosine C10H13N5O5 283.0917 37094 C00387 284.0993509 17.82079315 His Histidine C6H9N3O2 155.0695 37119 C00135 156.0769175 10.65525454 Histamine Histamine C5H9N3 111.0796 37476 C00388 112.0872165 7.020869284 Homoserine Homoserine C4H9NO3 119.0582 37385 C00263 120.0659991 14.55197755 Homovanillate Homovanillic acid C9H10O4 182.0579 37081 C05582 181.0514514 16.40164844 Hydroxyproline Hydroxyproline C5H9NO3 131.0582 C01015 132.0650945 17.25427674 Hypoxanthine Hypoxanthine C5H4N4O 136.0385 37106 C00262 137.0456206 15.83364442 Ile Isoleucine C6H13NO2 131.0946 1871 C00407 132.1017629 14.77735589 Indole-3-acetaldehyde Indoleacetaldehyde C10H9NO 159.0684 37651 C00637 160.0621299 30.14383218 Indole-3-acetamide 1H-Indole-3-acetamide C10H10N2O 174.0793 44027 C02693 175.0788653 30.34607491 Inosine Inosine C10H12N4O5 268.0808 37130 C00294 269.0877731 26.99548474 Isopropanolamine C05771 76.0760983 10.27552758 Leu Leucine C6H13NO2 131.0946 42493 C00123 132.1017903 14.91894399 Lys Lysine C6H14N2O2 146.1055 37121 C00047 147.112491 10.06300296 Mannosamine 2-Amino-2-deoxy-D-mannose C6H13NO5 179.079373 62133 C03570 180.0932575 13.19318125 Met Methionine C5H11NO2S 149.0511 37371 C00073 150.0586913 15.44628957 Methionine sulfoxide Methionine sulfoxide C5H11NO3S 165.046 57174 C02989 166.053094 17.00500503 N1,N12-Diacetylspermine N1,N12-Diacetylspermine C14H30N4O2 286.2369 38057 C03413 144.1258403 11.05660025 N1,N8-Diacetylspermidine - 230.1864494 14.82692003 N1-Acetylspermidine N1-Acetylspermidine C9H21N3O 187.1685 37703 C00612 188.175596 9.313358996 N6,N6,N6-Trimethyllysine N-6-Trimethyllysine C9H20N2O2 188.1525 37729 C03793 189.1596281 10.50728362 N8-Acetylspermidine N8-Acetylspermidine C9H21N3O 187.1685 38065 C01029 188.1755644 9.425374783 N-Acetylglucosamine N-Acetyl-D-glucosamine C8H15NO6 221.0899 67000 C00140 222.0964255 30.25931436 N-Acetylglucosylamine N-Acetyl-beta-glucosaminylamine C8H16N2O5 220.1059 37602 C01239 221.1119461 14.38522816 N-Acetylornithine N-Acetylornithine C7H14N2O3 174.1004 38303 C00437 175.1078449 13.8578604 N-Acetylputrescine N-Acetylputrescine C6H14N2O 130.1106 38003 C02714 131.1180371 12.29886357 N-epsilon-Acetyllysine N6-Acetyllysine C8H16N2O3 188.1161 37134 C02727 189.123481 16.43955538 Nicotinamide Niacinamide C6H6N2O 122.048 37778 C00153 123.0553196 10.78381075 N-Methylalanine N-Methylalanine C4H9NO2 103.0633 49945 C02721 104.0709078 14.84614692 o-Acetylcarnitine CAR(2:0) C9H17NO4 203.1158 71521 C02571 204.122744 13.11991472 O-Acetylserine O-Acetylserine C5H9NO4 147.0532 38234 C00979 148.0604774 18.02705927 Ophthalmate Ophthalmic acid C11H19N3O6 289.1274 38741 - 290.1347365 18.88384828 Ornithine Ornithine C5H12N2O2 132.0899 37139 C00077 133.0971495 9.978599881 p-Aminobenzoate P-Aminobenzoic acid C7H7NO2 137.0477 37770 C00568 138.0542486 13.91839972 Phe Phenylalanine C9H11NO2 165.079 37108 C00079 166.0863257 15.97255542 Phosphorylcholine Choline phosphate C5H14NO4P 183.066 71621 C00588 184.0714523 28.48555917 Pipecolate Pipecolic acid C6H11NO2 129.079 37384 C00408 130.0864244 14.85629151 Pro Proline C5H9NO2 115.0633 37110 C00148 116.070386 15.58445824 Putrescine(1,4-Butanediamine) C00134 89.10768116 6.920456241 Pyridoxal Pyridoxal C8H9NO3 167.0582 37862 C00250 168.066435 12.69594527 Pyridoxamine Pyridoxamine C8H12N2O2 168.0899 37796 C00534 169.0971228 8.741032124 Pyridoxamine 5'-phosphate Pyridoxamine 5'-phosphate C8H13N2O5P 248.0562 37868 C00647 249.0632163 15.09527514 Saccharopine Saccharopine C11H20N2O6 276.1321 37177 C00449 277.1374863 15.4806433 SAM+ C00019 200.0762172 10.39478846 Sarcosine Sarcosine C3H7NO2 89.0477 37173 C00213 90.05517455 13.70209977 SDMA Symmetric dimethyl-arginine C8H18N4O2 202.143 38294 - 203.1505887 11.37854507 Ser Serine C3H7NO3 105.0426 37123 C00065 106.0501767 14.40936661 Serotonin Serotonin C10H12N2O 176.095 37167 C00780 177.102838 12.73670754 Spermidine Spermidine C7H19N3 145.1579 37687 C00315 146.165307 6.666272022 Synephrine C04548 168.1014496 13.0223278 Taurine Taurine C2H7NO3S 125.0147 37162 C00245 126.022347 30.14369109 Thiamine Thiamine C12H17N4OS 265.1123 37152 C00378 265.1121627 9.693636661 Thr Threonine C4H9NO3 119.0582 37113 C00188 120.065518 15.15444104 Thymidine Thymidine C10H14N2O5 242.0903 37175 C00214 243.1041573 30.23482957 Thymine Thymine C5H6N2O2 126.0429 37168 C00178 127.0400869 30.22036924 Trigonelline Trigonelline C7H7NO2 137.0477 37479 C01004 138.0545088 15.07748869 Trp Tryptophan C11H12N2O2 204.0899 37505 C00078 205.0970373 15.85208681 Tryptamine Tryptamine C10H12N2 160.1 37195 C00398 161.10751 12.10353492 Tyr Tyrosine C9H11NO3 181.0739 37107 C00082 182.0814093 16.32807714 Tyramine Tyramine C8H11NO 137.0841 37197 C00483 138.0909979 12.0564459 Uracil Uracil C4H4N2O2 112.0273 37192 C00106 113.0363286 30.23231424 Urea Urea CH4N2O 60.0324 37188 C00086 61.04079187 29.05646874 Uridine Uridine C9H12N2O6 244.0695 37190 C00299 245.082785 30.22332155 Urocanate Urocanic acid C6H6N2O2 138.0429 37193 C00785 139.0498325 12.05549493 Val Valine C5H11NO2 117.079 37484 C00183 118.0863954 14.50446604 Xanthine Xanthine C5H4N4O2 152.0334 37186 C00385 153.0393186 26.92555611 Xanthurenate Xanthurenic acid C10H7NO4 205.0375 37483 C02470 204.0300494 11.89186312 1-Methylnicotinamide 1-Methyl nicotinamide C7H9N2O 137.0715 67157 C02918 137.0706608 10.73696471 1,3-Diaminopropane 1,3-Diaminopropane C3H10N2 74.0844 37023 C00986 75.09233729 6.486150344 2AB C02356 104.0709972 13.96668563 3-Aminoisobutyrate 3-Amino-isobutanoic acid C4H9NO2 103.0633 1878 C05145 104.0710578 11.42425927 3-Aminopropane-1,2-diol C06057 92.07101983 10.75113034 3-Hydroxyanthranilate 3-Hydroxyanthranilic acid C7H7NO3 153.0426 37817 C00632 154.0504175 15.46158514 3-Methylhistidine 3-Methylhistidine C7H11N3O2 169.0851 37269 C01152 170.0919957 10.93976875 4-(beta-Acetylaminoethyl)imidazole N-Acetylhistamine C7H11N3O 153.0902 42275 C05135 154.09674 12.27188309 4-Hydroxymethylimidazole C05562 99.05528773 10.20396209 5-Aminolevulinate 5-Amino-levulinic acid C5H9NO3 131.0582 1879 C00430 132.0690526 11.63051749 5-Aminovalerate 5-Aminopentanoic acid C5H11NO2 117.079 1865 C00431 118.0864125 11.66209061 5-Hydroxyindoleacetate 5-Hydroxyindoleacetic acid C10H9NO3 191.0582 37412 C05635 192.0656257 30.47974596 5-Hydroxylysine 5-Hydroxylysine C6H14N2O3 162.1004 37255 C16741 163.1079904 10.46270984 5-Methylthioadenosine 5'-Methylthioadenosine C11H15N5O3S 297.0896 37638 C00170 298.0962332 14.56638391 6-Aminohexanoate Aminocaproic acid C6H13NO2 131.0946 1860 C02378 132.0998795 12.2039722 6-Hydroxynicotinate 6-Hydroxynicotinic acid C6H5NO3 139.0269 38187 C01020 140.0339956 30.89298948 7-Methylguanine 7-Methylguanine C6H7N5O 165.0651 37489 C02242 166.0724044 11.96782614