Metabolite_name RefMet_name 140603actsa06_1 140603actsa25_1 140603actsa27_1 140603actsa30_1 140603actsa03_1 140603actsa07_1 140603actsa17_1 140603actsa35_1 140603actsa18_1 140603actsa20_1 140603actsa29_1 140603actsa33_1 140603actsa13_1 140603actsa16_1 140603actsa32_3 140603actsa38_1 140603actsa10_1 140603actsa24_1 140603actsa31_1 140603actsa40_1 140603actsa02_1 140603actsa05_1 140603actsa11_1 140603actsa22_1 140603actsa19_1 140603actsa26_1 140603actsa36_1 140603actsa37_1 140603actsa01_1 140603actsa08_1 140603actsa09_1 140603actsa14_1 140603actsa12_1 140603actsa23_1 140603actsa34_1 140603actsa39_1 140603actsa04_1 140603actsa15_1 140603actsa21_1 140603actsa28_1 Factors - Organ:Duodenum | Treatment:Aminoguanidine 10 mg/kg s.c. Organ:Duodenum | Treatment:Aminoguanidine 10 mg/kg s.c. Organ:Duodenum | Treatment:Aminoguanidine 10 mg/kg s.c. Organ:Duodenum | Treatment:Aminoguanidine 10 mg/kg s.c. Organ:Duodenum | Treatment:Metformin 100mg/kg (oral administration) Organ:Duodenum | Treatment:Metformin 100mg/kg (oral administration) Organ:Duodenum | Treatment:Metformin 100mg/kg (oral administration) Organ:Duodenum | Treatment:Metformin 100mg/kg (oral administration) Organ:Duodenum | Treatment:Metformin 25mg/kg (oral administration) Organ:Duodenum | Treatment:Metformin 25mg/kg (oral administration) Organ:Duodenum | Treatment:Metformin 25mg/kg (oral administration) Organ:Duodenum | Treatment:Metformin 25mg/kg (oral administration) Organ:Duodenum | Treatment:Metformin 50mg/kg (oral administration) Organ:Duodenum | Treatment:Metformin 50mg/kg (oral administration) Organ:Duodenum | Treatment:Metformin 50mg/kg (oral administration) Organ:Duodenum | Treatment:Metformin 50mg/kg (oral administration) Organ:Duodenum | Treatment:Saline (oral administration) Organ:Duodenum | Treatment:Saline (oral administration) Organ:Duodenum | Treatment:Saline (oral administration) Organ:Duodenum | Treatment:Saline (oral administration) Organ:Ileum | Treatment:Aminoguanidine 10 mg/kg s.c. Organ:Ileum | Treatment:Aminoguanidine 10 mg/kg s.c. Organ:Ileum | Treatment:Aminoguanidine 10 mg/kg s.c. Organ:Ileum | Treatment:Aminoguanidine 10 mg/kg s.c. Organ:Ileum | Treatment:Metformin 100mg/kg (oral administration) Organ:Ileum | Treatment:Metformin 100mg/kg (oral administration) Organ:Ileum | Treatment:Metformin 100mg/kg (oral administration) Organ:Ileum | Treatment:Metformin 100mg/kg (oral administration) Organ:Ileum | Treatment:Metformin 25mg/kg (oral administration) Organ:Ileum | Treatment:Metformin 25mg/kg (oral administration) Organ:Ileum | Treatment:Metformin 25mg/kg (oral administration) Organ:Ileum | Treatment:Metformin 25mg/kg (oral administration) Organ:Ileum | Treatment:Metformin 50mg/kg (oral administration) Organ:Ileum | Treatment:Metformin 50mg/kg (oral administration) Organ:Ileum | Treatment:Metformin 50mg/kg (oral administration) Organ:Ileum | Treatment:Metformin 50mg/kg (oral administration) Organ:Ileum | Treatment:Saline (oral administration) Organ:Ileum | Treatment:Saline (oral administration) Organ:Ileum | Treatment:Saline (oral administration) Organ:Ileum | Treatment:Saline (oral administration) 1_5-anhydroglucitol 1,5-Anhydrosorbitol 483 604 669 532 1055 361 603 624 905 678 850 499 892 659 1055 1009 540 1041 379 1400 658 647 771 482 563 866 620 576 611 354 597 916 1125 986 1045 1224 722 831 1394 636 1-monopalmitin MG 16:0/0:0/0:0 1333 6046 1805 534 597 2946 741 18683 702 857 1514 1497 469 1110 2941 89 34880 569 2746 583 1722 2868 1625 1285 550 1108 12726 1224 277 1700 1932 1140 1328 589 1668 394 747 568 366 359 2_5-dihydroxypyrazine NIST 2,5-Dihydroxypyrazine 356 277 386 580 177 75 251 74 590 116 113 278 734 237 759 532 44 539 198 61 374 254 150 280 612 577 436 364 411 307 196 718 477 671 984 906 265 377 620 307 2-deoxytetronic acid NIST 3,4-Dihydroxybutyric acid 151 116 136 78 150 85 176 109 189 167 191 164 75 142 216 182 121 128 162 153 107 122 195 110 102 154 97 109 144 147 84 240 162 180 209 218 155 142 203 158 2-hydroxybutanoic acid 2-Hydroxybutyric acid 505 521 345 508 755 439 757 907 609 466 443 783 1057 661 1712 855 616 1075 1042 865 392 911 664 578 1128 831 306 491 556 765 327 481 805 779 1094 887 1015 565 1977 804 2-hydroxyglutaric acid 2-Hydroxyglutaric acid 29 20 40 28 58 37 27 23 68 70 53 26 9 18 51 26 41 45 42 103 48 20 52 30 47 28 24 9 26 37 27 56 27 29 24 67 50 23 42 79 2-ketoisocaproic acid Ketoleucine 126 171 131 165 170 90 4413 2807 94 86 81 1756 122 145 158 142 53 139 130 227 93 159 206 108 175 136 970 117 129 109 102 152 199 200 154 156 135 95 217 103 2-monopalmitin MG 0:0/16:0/0:0 14091 31215 11182 3349 2556 18711 3786 86204 2272 9689 17657 6399 3081 3787 38135 3452 168525 2928 12078 3506 8034 12723 3118 6280 3850 3933 30321 2865 758 6531 8095 2754 4952 2521 6414 3953 1243 2571 1511 1758 3-hydroxybutyric acid 3-Hydroxybutyric acid 15732 13236 6738 19945 20375 9431 22446 15814 13134 12957 13739 16874 23155 18793 14120 22451 2551 8878 20995 20766 8307 13339 17619 10208 25533 27948 6196 4981 9793 13416 8204 14484 28869 17179 21233 18028 1969 10423 24617 14399 4-hydroxybutyric acid 4-Hydroxybutyric acid 103 231 100 115 73 61 33 169 107 82 96 73 146 126 206 125 128 105 183 112 67 53 212 41 140 122 49 107 110 71 64 136 140 134 217 163 151 90 223 176 5-aminovaleric acid 5-Aminopentanoic acid 623 304 475 553 281 676 514 525 300 1090 634 236 436 253 191 440 146 332 222 338 398 260 274 288 413 289 352 352 406 391 454 317 331 385 747 283 259 411 146 258 5-methoxytryptamine 5-Methoxytryptamine 164 74 129 92 151 135 102 133 326 165 308 97 154 162 167 218 146 59 314 159 229 70 505 91 198 156 334 234 113 204 168 298 129 319 426 112 259 197 348 83 6-deoxyglucose Quinovose 39 226 91 462 182 76 98 141 106 134 128 86 173 187 481 157 113 2253 644 186 124 255 764 67 413 227 199 238 347 94 75 214 2073 562 711 486 833 123 2570 1194 adenosine Adenosine 37 35 49 41 60 19 36 56 83 51 25 75 58 40 39 51 32 77 70 46 24 49 102 73 36 37 26 36 45 30 37 66 83 30 27 45 38 40 188 56 adenosine-5-monophosphate AMP 89 73 45 71 96 76 75 82 133 123 116 47 108 133 169 187 138 71 83 71 47 63 125 43 141 46 51 52 68 67 63 131 72 59 75 114 114 46 99 61 alanine Alanine 228339 200823 220978 235830 236119 222110 245493 191089 233396 183346 202162 234538 235634 235217 219519 228360 122760 232449 202028 212303 273063 221713 223607 263905 250318 237327 182096 226181 295861 245239 229399 275157 235291 248162 228330 238707 242447 245280 273329 265796 alanine-alanine Ala-Ala 4471 1426 1778 2849 862 4107 2047 4228 921 9401 6891 1475 1539 976 5537 2770 2595 1349 713 3693 1693 1240 717 1649 1426 738 1369 1468 1248 1558 1296 1290 765 1024 1359 727 1124 1297 1039 989 allantoic acid Allantoic acid 136 61 66 113 98 58 80 41 74 28 55 65 98 67 60 45 63 42 63 48 155 125 75 133 242 112 61 104 123 217 138 173 160 229 285 73 232 92 56 224 alpha-ketoglutarate 2-Oxoglutaric acid 38 29 33 32 39 50 54 62 65 63 96 32 52 26 122 53 46 31 56 117 50 41 78 39 115 29 24 54 36 46 42 53 39 87 65 37 33 42 55 62 aminomalonate Aminomalonic acid 2819 2281 2983 2481 2782 1602 2550 3039 5125 2403 3030 3392 2727 3337 763 3237 2370 3984 2682 7315 2344 2359 3312 2615 2475 3233 2082 2731 3034 2320 2382 3350 2832 2996 3571 3440 3689 4229 3431 1365 arachidic acid Arachidic acid 1934 4264 2269 1600 1335 2770 1132 7945 2032 2984 3125 1992 1688 1646 4654 1603 16158 1453 2362 2887 1372 2646 1780 1996 1472 1782 5031 1547 739 1771 1482 1228 1696 1369 2106 2244 1063 1113 1595 1192 arachidonic acid Arachidonic acid 44505 49152 48878 52025 59235 33821 46467 62117 66872 53477 49379 50772 62990 54958 66680 61405 48682 56552 65364 74166 34589 74969 114414 50007 58521 42227 31080 24787 33409 46344 41082 60444 68028 50349 67113 83136 70065 33585 48698 21439 ascorbic acid Vitamin C 18 43 170 238 707 23 3945 18 143 26 34 94 5953 55 16 142 38 138 43 46 177 820 748 418 37 1114 1212 31 62 279 231 1025 19 797 31 1578 190 317 54 89 asparagine Asparagine 6588 3527 4860 5767 3639 7064 6654 3626 3391 8443 3875 4436 4796 4334 9009 5118 965 4320 2194 7327 5122 3577 2573 5129 3700 2612 3451 4047 4071 4600 4815 4235 3099 3848 4076 3473 3232 4720 2000 3084 aspartic acid Aspartic acid 49752 45399 54337 59333 52815 28344 44469 38163 45633 42362 45344 45693 45779 48104 48044 50636 19924 57898 43982 46486 59423 40565 43039 46575 60095 55551 50125 65163 74253 52913 51252 62989 67461 60553 63678 55222 54792 66830 50435 44817 behenic acid Behenic acid 556 983 709 482 516 655 458 1519 754 661 561 744 758 702 1302 659 2784 563 705 697 403 816 739 706 590 566 1252 458 308 524 390 491 759 446 811 829 415 406 629 324 benzoic acid Benzoic acid 601 614 797 845 714 589 774 692 953 596 680 988 654 1049 387 632 596 808 713 1097 690 572 888 913 837 1017 517 714 760 667 487 478 1208 756 585 795 725 703 1224 1447 beta-alanine beta-Alanine 548 893 818 858 952 581 599 654 930 965 905 582 974 850 820 1299 376 726 789 1573 613 452 854 486 596 685 715 806 840 388 421 942 848 928 1065 1281 501 984 1262 414 beta-glutamic acid Isoglutamic acid 1203 102 71 1467 84 31 71 48 77 88 43 77 85 48 55 57 24 1334 40 41 95 69 1128 48 388 169 56 73 133 465 886 177 165 43 326 47 250 117 36 120 beta-glycerolphosphate sn-Glycero-2-phosphate 37 116 69 89 119 55 70 145 113 106 173 124 117 86 130 117 122 55 105 105 58 110 214 71 110 119 46 63 90 72 65 106 124 90 154 106 92 70 58 101 bisphosphoglycerol NIST 58 91 71 64 57 49 82 67 65 51 83 91 214 77 397 152 67 36 161 97 43 113 164 47 100 89 21 29 45 54 36 81 135 41 174 305 74 70 77 189 butyrolactam NIST 2-Pyrrolidinone 76 161 59 142 188 410 62 140 115 73 83 92 113 137 53 103 75 175 112 161 68 98 153 78 345 159 97 131 168 99 74 196 229 210 327 138 115 125 222 171 capric acid Capric acid 289 541 673 89 95 524 62 2067 104 167 142 169 147 117 1021 104 6024 89 191 146 547 127 128 127 223 426 2056 1751 74 443 735 133 282 160 881 126 156 259 164 137 cholestan-3-ol Epi-cholestanol 70 78 87 53 125 80 122 92 112 105 63 89 85 112 39 93 86 87 98 116 99 83 260 59 126 48 77 58 86 127 99 89 119 49 141 105 99 127 55 73 cholesterol Cholesterol 47448 51576 49514 44788 80666 47625 66653 62286 86419 50080 36949 64024 65689 80051 62545 77380 62411 49999 87006 76694 50503 71964 82295 44412 66649 47383 56641 51314 48530 62513 49660 78034 69718 43947 71094 92617 63953 77551 57570 23732 cis-gondoic acid cis-Gondoic acid 100 602 111 153 34 207 39 1280 97 128 188 133 98 70 601 71 3396 72 122 139 135 203 111 80 139 178 1633 220 78 140 200 119 170 102 228 174 111 64 69 67 citric acid Citric acid 1152 262 870 812 315 1060 944 4107 2851 3514 5456 277 475 1553 977 1196 3086 2417 1798 10229 1777 872 5784 1073 4737 4735 3760 3426 4115 2284 2524 5300 5311 6203 5776 1616 5635 5057 3856 5437 citrulline Citrulline 563 268 581 574 170 407 418 416 256 590 504 298 266 345 370 293 329 304 192 283 328 144 194 809 432 263 442 251 275 309 242 309 245 481 427 107 258 436 265 522 conduritol-beta-epoxide Conduritol epoxide 42 85 48 115 101 75 80 70 94 68 97 95 96 37 135 73 62 136 106 44 123 147 174 77 244 581 417 505 458 157 89 208 836 654 433 248 331 688 84 274 creatinine Creatinine 29376 62177 36478 48135 49714 28013 38710 29734 37077 36252 34511 27775 56150 29842 60478 48420 18653 73509 49890 28186 24744 46745 57590 29871 41068 44149 24885 25752 31238 24442 35614 41250 51864 53825 50218 55636 41392 39368 50067 44277 cysteine Cysteine 6474 7758 14195 7980 13628 11385 13388 7518 12604 12989 9991 6913 12078 7900 12132 11483 3739 11835 5783 16335 8920 8178 7864 10618 5745 7250 6030 8369 6169 9138 10607 7450 6115 8158 6633 10849 8964 13680 4170 4059 cysteine-glycine Cys-Gly 489 164 121 216 77 129 67 233 77 128 337 77 110 83 486 203 298 71 126 68 80 108 70 102 126 83 196 95 47 104 94 82 96 164 97 85 40 54 68 68 cystine Cystine 471 608 2135 550 256 1761 1363 1164 2009 1831 465 1482 297 1410 1112 801 1460 584 219 2505 940 972 357 1957 324 533 505 424 172 1129 2087 691 154 606 492 469 929 330 144 585 cytidine Cytidine 489 138 100 297 179 583 200 330 195 1007 444 63 290 376 504 311 516 96 158 553 25 84 46 80 53 31 32 29 39 38 46 79 32 38 29 147 52 23 146 38 cytidine-5-monophosphate NIST CMP 82 71 66 57 69 96 78 162 47 253 150 48 53 67 158 142 227 57 112 136 32 48 57 20 32 35 38 28 30 35 21 73 30 28 27 58 69 32 54 85 cytosin Cytosine 62 85 62 104 27 64 91 124 69 165 259 92 85 68 62 90 81 64 68 269 38 35 42 81 29 42 24 32 58 29 27 95 42 28 44 66 53 50 119 80 dehydroascorbic acid Dehydroascorbic acid 1904 540 6751 3084 10994 3033 7518 2332 15504 3696 3767 7719 4805 4918 1841 13186 1522 2183 5394 9021 12941 2160 1609 10750 1783 4041 2903 4119 5904 10078 13497 7261 1725 9842 5208 3410 8076 12016 1202 2546 dihydroxyacetone Dihydroxyacetone 322 401 411 297 676 622 716 232 461 613 345 774 486 556 4034 506 163 457 439 793 470 374 481 659 202 163 168 331 128 624 659 399 333 295 216 607 501 958 266 188 doconexent NIST DHA 1630 2083 933 1926 1904 1618 1158 3033 2181 2128 1635 1953 2701 1538 2078 1722 5479 1537 1961 3772 1293 1973 2924 1159 1794 1913 3422 1380 1229 1429 1190 2310 2104 1999 2434 2128 2285 1140 1726 522 erythronic acid lactone Erythrono-1,4-lactone 35 50 62 48 76 28 49 32 74 28 31 64 49 91 24 64 35 53 62 48 43 85 98 46 43 107 29 73 70 43 57 93 62 64 104 65 69 39 121 143 erythrose Erythrose 43 62 158 46 237 138 176 47 260 124 85 214 92 93 65 115 32 91 58 311 268 103 177 205 34 53 74 75 58 254 262 66 25 48 24 95 93 196 50 49 ethanolamine Ethanolamine 91092 98499 44046 54619 129075 76796 51870 94581 134264 92170 93435 116937 106964 116141 86408 115691 46867 111756 124418 67452 102598 111329 145801 108364 83027 102703 67049 80157 114506 50853 98794 39692 64497 42272 105503 94472 126868 46015 144441 92788 ethanol phosphate NIST Ethylphosphate 162 236 154 148 652 84 295 91 343 254 45 412 1601 717 496 791 409 3546 573 2878 551 181 2302 249 123 2638 317 145 2305 230 422 107 2325 3864 2406 2381 1972 599 3150 1060 fructose Fructose 1494 2106 752 3104 2309 1118 1228 2170 1234 1549 771 1866 1834 1394 3422 1642 1170 3757 2251 1169 1114 3927 3587 1311 3294 2162 1951 1919 1582 1228 1601 3661 3854 2929 1708 3959 2535 1929 3464 3595 fructose-1-phosphate Fructose 1-phosphate 29 14 21 27 39 25 35 175 29 125 141 39 38 52 134 37 187 22 30 160 49 27 390 37 273 444 13 52 181 135 88 255 95 188 415 42 29 6 40 63 fructose-6-phosphate Fructose 6-phosphate 25 34 30 33 33 37 26 394 34 206 161 58 28 33 258 65 373 33 22 205 71 38 570 25 553 530 110 154 345 307 174 592 391 813 1559 69 64 101 61 114 fucose Fucose 405 360 393 468 411 376 324 755 628 912 676 303 499 530 681 655 634 610 492 1368 281 398 684 330 594 324 320 388 572 313 377 482 596 522 708 601 572 384 629 450 fumaric acid Fumaric acid 3066 2250 3327 3919 3682 2340 3617 3396 4360 3903 4961 3494 4577 3485 4979 4201 1583 3492 3644 4866 2372 2923 4509 2412 4608 3492 1897 2307 3454 2795 2128 5420 3732 3579 5384 5887 3022 3405 4700 2895 gluconic acid Gluconic acid 33 35 42 10 68 25 29 203 27 31 35 48 51 50 312 38 31 60 40 57 44 93 69 53 234 56 40 22 59 47 50 122 51 134 132 237 26 55 80 71 glucose Glucose 5291 4645 5605 10596 8095 6557 12197 11736 9650 6352 13441 5764 8451 8363 14284 7480 10402 17017 10827 19168 7561 9275 24875 6154 16644 30166 12487 18334 14281 11519 10669 13509 24651 27173 19358 14001 17026 16402 16879 23609 glucose-6-phosphate Glucose 6-phosphate 11 19 21 28 35 13 22 746 39 260 132 64 22 31 406 64 528 34 26 353 61 42 1026 23 992 1045 164 269 627 526 252 1096 709 1696 2916 63 74 105 70 128 glutamic acid Glutamic acid 74761 80270 83133 84936 81887 62534 70026 72608 100478 57707 72568 88702 76219 84945 62431 77768 52974 83557 74337 108297 74768 71711 102405 81369 100916 89284 64941 80627 96838 87733 77372 97424 95447 91609 78626 83680 94952 97363 81825 76123 glutamine Glutamine 11508 5710 10274 12345 6616 11695 12168 3416 6819 11547 8358 4378 7344 11564 9019 5730 2265 9774 6352 2694 11120 7377 6290 11432 11018 8339 6320 7819 11275 11291 10250 10681 8639 12666 8198 6289 9647 12885 8121 11449 glyceric acid Glyceric acid 3473 5774 1489 5210 3887 2002 1933 6097 3150 3844 4537 2186 4666 3549 6558 4571 2759 7982 7075 5677 1054 5675 4560 834 9716 3660 2689 3393 3366 1647 1875 7060 6966 6105 4621 8046 4437 2900 8803 5116 glycerol Glycerol 68215 80197 67895 66307 90736 65675 66660 10499 47146 54087 81102 88773 46034 91412 26599 66122 29161 56781 87858 95380 76725 83311 65552 79536 83159 83654 37205 69829 75307 80923 67575 92442 81972 78370 45143 60558 100680 69699 105657 84415 glycerol-3-galactoside Galactosylglycerol 160 86 185 103 138 120 126 370 253 229 480 106 156 168 283 134 374 124 161 517 204 136 341 112 266 392 538 376 249 255 176 289 467 538 315 165 273 275 334 310 glycerol-alpha-phosphate sn-Glycero-3-phosphate 5121 11368 1651 10646 3097 3328 4978 9049 7042 8548 11254 9601 14204 7586 15297 12599 8070 3949 14404 6782 1181 7379 9718 2635 5015 6589 1337 2155 1969 4978 2240 3669 14424 7081 13878 10024 3486 958 3426 833 glycine Glycine 37645 35264 41208 40437 53304 37362 46368 32721 51830 36413 35902 51117 42905 42829 83538 40962 35571 44970 40700 48781 54214 44910 55546 51457 45102 45823 30024 39079 54400 45757 45297 45388 44507 45947 38143 38892 56060 48259 52103 46165 glycolic acid Glycolic acid 153 259 343 254 262 73 157 238 281 103 200 269 145 442 138 181 114 260 243 361 124 197 383 281 549 284 105 319 227 213 139 530 190 259 299 311 285 233 503 712 glycyl tyrosine Gly-Tyr 500 134 187 272 77 569 305 403 167 751 388 116 161 126 746 508 122 142 101 304 225 108 50 113 122 44 178 80 109 107 150 120 46 101 107 54 105 110 46 147 guanosine Guanosine 46 41 62 32 70 31 27 101 50 127 133 38 43 58 74 40 180 40 49 480 25 52 28 31 23 26 67 20 32 63 20 33 25 26 17 47 32 24 49 27 heptadecanoic acid Margaric acid 2733 10105 4788 2244 2535 4104 1861 16738 3025 3114 3970 3663 2901 2677 9185 2251 37069 2406 3824 2468 4068 5995 3355 2184 2858 4377 21095 4028 1136 4479 4710 2288 4185 2412 5310 4507 2518 2646 1706 1739 hexadecylglycerol NIST MG O-16:0 88 93 59 134 134 67 90 39 95 63 21 110 130 116 135 48 52 173 48 59 101 139 317 82 215 168 114 133 178 91 109 589 284 191 185 302 225 161 238 99 hexitol Sorbitol 253 603 318 443 598 263 326 257 470 399 910 358 373 328 913 379 226 590 378 284 363 511 931 370 560 524 446 559 703 388 476 892 1074 775 799 1044 589 413 571 399 hexonic acid Gluconic acid 33 48 39 32 29 51 61 56 91 94 67 73 107 36 78 82 38 76 88 78 36 50 20 47 23 45 127 25 47 68 73 96 65 32 80 14 114 30 33 68 hexose-6-phosphate Hexose 6-phosphate 25 24 24 38 23 32 18 180 30 84 77 41 18 32 138 32 145 25 28 116 54 32 335 18 329 360 56 110 239 173 95 364 224 557 956 46 41 43 55 110 hexuronic acid Hexuronic acid 2472 2539 2144 3492 2327 1805 3130 1465 2524 2275 1381 1845 2055 1593 2237 2403 655 3435 2050 1958 2412 2587 3056 1835 3162 1368 2662 3489 972 1463 2199 2262 1455 3369 1970 2203 2876 2376 3915 3340 hydroxycarbamate NIST Hydroxycarbamic acid 80 88 141 84 82 44 85 76 161 42 78 128 100 137 21 89 82 148 85 137 75 80 155 143 99 175 84 148 107 72 57 124 115 122 102 124 87 85 208 276 hydroxylamine Hydroxylamine 513 701 816 888 558 391 792 559 1008 487 421 936 564 1008 157 723 521 694 761 406 486 525 903 1142 896 953 600 723 553 630 481 1043 636 862 586 692 518 435 1275 2562 hypoxanthine Hypoxanthine 779 687 822 54 1875 631 465 2084 6616 3208 10713 1542 7061 4374 3486 3079 840 72 3421 20858 5172 26 363 1870 159 4828 3304 2148 2056 2323 2315 2654 1028 6838 3968 743 1211 7564 1429 1361 inosine Inosine 166 203 130 155 314 102 88 498 584 1130 5424 182 870 462 1217 495 700 225 306 10368 468 118 119 149 92 144 371 142 129 147 211 282 110 671 302 231 184 471 200 155 inositol-4-monophosphate Inositol 4-phosphate 131 61 73 56 43 76 52 525 58 216 434 24 67 47 193 76 690 59 37 445 191 59 1382 64 585 1126 196 178 586 323 314 277 282 524 1869 73 130 235 24 126 isoheptadecanoic acid NIST 15-Methylpalmitic acid 546 1919 1051 773 792 768 425 2540 703 624 620 1024 670 769 1478 306 6223 627 717 315 458 1394 346 593 417 495 3430 523 177 653 710 307 362 374 767 953 276 349 396 256 isoleucine Isoleucine 76254 47205 72066 76638 46448 85842 92497 47885 42088 87759 49545 53171 48991 52370 69464 53087 15111 62985 31137 37355 77726 51961 38176 70620 65157 43010 62051 76402 72203 72968 76783 61956 51518 66032 62405 38346 60954 77783 29799 73111 isolinoleic acid NIST 262 107 60 187 64 215 180 44 88 461 28 31 114 109 312 251 40 106 39 180 105 54 50 82 144 24 129 34 84 54 31 113 29 118 95 59 102 79 43 129 isothreonic acid D-Threonic acid 42 79 42 63 57 30 35 53 56 36 36 36 52 55 48 49 29 60 78 45 63 41 97 54 86 69 31 39 79 51 51 77 83 61 81 89 70 62 116 119 lactic acid Lactic acid 22789 31140 24090 753 35362 19128 20306 19473 34572 19182 1133 27740 38959 34775 32305 25945 10511 35574 35660 32767 4857 31968 46065 22667 36089 30016 11536 22577 30141 23378 27266 41000 1049 40091 37229 50796 39997 30112 59627 38883 lauric acid Lauric acid 4411 14281 8677 890 1044 9875 855 38588 1075 3026 3552 4983 1703 1384 13286 976 101009 902 3507 2150 11976 4091 1435 2921 4077 9697 39876 18963 890 12369 13515 2163 5752 2950 14092 2770 2948 6337 1553 1316 leucine Leucine 156688 98636 147378 147503 111251 162967 159168 131207 90438 138179 129258 116057 116937 120916 39656 136352 46379 124390 70832 96604 157575 117873 77114 129910 133853 97663 126631 149070 160136 146415 142250 129354 107149 137915 116208 77478 118224 152604 64449 139622 lignoceric acid Lignoceric acid 68 126 72 67 50 121 102 390 83 99 70 98 75 92 165 63 900 121 65 112 67 225 71 65 104 101 235 69 69 88 56 81 97 70 124 105 63 76 95 62 lysine Lysine 61834 7339 19029 33170 5725 54626 20981 23454 10416 69803 39000 8805 6768 15311 29407 29102 18742 8272 4934 6440 23696 6001 6633 27171 23099 7199 9863 8610 9203 17066 12241 11186 6073 16485 12975 3120 8198 14265 6683 13459 lyxitol L-Arabitol 110 97 150 107 175 116 142 151 233 174 207 159 75 171 265 178 81 330 242 331 139 100 99 163 235 207 84 77 158 167 149 232 260 213 166 167 273 185 264 282 malic acid Malic acid 3921 2620 4196 4801 3616 2405 4556 3876 5787 3289 5731 3552 4232 4176 4336 3661 2570 3888 4716 5921 2728 3305 5311 3257 5385 4471 2745 3257 3634 3835 2680 6317 4335 4465 7343 6214 3273 3910 5986 3858 mannose Mannose 1456 1524 1418 3025 1691 1517 1605 2924 2325 2242 1770 1912 1468 1367 2632 1631 1765 3136 2098 2792 2287 2611 7275 1441 4037 6351 2341 3739 3923 3033 3497 3564 4565 3886 3683 2856 4034 3428 3155 5801 methanolphosphate Methanolphosphate 64 837 220 68 111 42 84 94 80 112 120 335 155 119 285 108 72 285 262 819 116 130 519 256 152 504 60 95 372 103 131 164 623 410 333 191 173 156 522 248 methionine Methionine 22969 13226 18582 22088 13352 25579 22188 16172 10411 28390 15090 12862 18582 14227 26169 19816 4490 17682 8466 10596 21247 13037 8077 16843 18049 9527 15385 17323 20443 18182 18894 13097 13938 19124 15574 11123 12688 17284 6939 10337 methionine sulfoxide Methionine sulfoxide 271 271 274 462 83 187 414 242 253 276 151 517 190 431 208 201 219 307 270 166 524 534 461 645 536 510 902 674 474 397 806 959 417 626 1102 267 1020 356 385 2192 monomyristin MG 14:0 62 397 108 28 38 164 23 1747 25 42 87 72 25 29 204 26 3294 28 150 32 88 74 68 70 30 85 817 63 29 71 117 45 39 23 80 52 28 41 47 60 myo-inositol Myo-inositol 28825 25183 32266 31201 43870 25392 30793 31827 37697 27528 26647 36720 27063 38572 29468 33450 31195 34363 41622 34046 34970 40302 55161 39095 38851 41967 31638 33006 39721 36385 26299 47171 32417 50804 3451 46707 33578 33551 44031 49806 myristic acid Myristic acid 18481 58817 21246 3644 3801 30076 3262 146483 4934 14215 28117 16314 4790 4482 46955 4712 247569 3233 26449 8801 23355 23271 5725 12058 11063 28890 133788 35135 3314 29740 29496 5902 14149 8729 23153 8333 8323 12426 4275 5399 N-acetylaspartic acid N-Acetylaspartic acid 102 73 89 121 151 79 73 208 164 106 167 95 103 100 160 126 231 77 232 352 102 108 264 77 118 149 113 124 158 108 108 101 145 171 230 117 173 119 295 140 n-acetyl-d-hexosamine N-Acetylhexosamine 1823 2940 1180 2839 2442 1007 1551 1872 1971 1354 835 1654 1830 1254 2734 1585 974 3670 3453 927 724 2239 1465 954 1825 772 1221 1340 877 851 833 2278 2783 1953 1258 2943 2756 1414 5076 1756 N-acetylgalactosamine N-Acetylgalactosamine 703 821 866 982 1154 606 910 878 1082 780 560 714 1120 868 994 1146 575 1133 899 1173 424 876 733 739 432 270 294 311 239 341 356 619 356 689 305 1351 839 480 1524 579 N-acetylglutamate N-Acetylglutamic acid 24 32 31 34 44 34 35 38 46 33 23 58 21 41 76 30 55 30 54 113 24 35 55 48 39 52 23 38 46 30 26 50 80 39 22 61 31 23 90 63 nicotinamide Niacinamide 3836 4703 3445 4633 5053 2714 3956 3597 5904 4289 4372 3777 6332 4776 5563 5096 3043 4885 5546 5889 2366 3426 5067 2971 4627 4283 1940 2988 3975 3197 3198 4562 5814 5373 5863 6151 3943 3577 8639 4051 nicotinic acid Nicotinic acid 27 54 136 49 96 162 113 604 101 42 42 86 60 89 51 127 107 48 123 288 379 89 192 105 232 110 821 137 107 83 194 55 119 79 77 38 564 275 522 136 N-methylalanine N-Methylalanine 4679 2905 3790 2701 3479 1700 2839 7618 6011 3420 4024 4156 4689 4367 3375 8170 6276 4076 9522 8383 1593 1401 2300 1743 4136 3995 1453 1634 2005 2395 1360 1730 2818 2792 2556 3119 2662 2072 14795 5062 nonadecanoic acid Nonadecylic acid 469 1620 697 339 372 812 276 3083 439 764 690 575 381 349 2062 360 6171 395 412 542 521 932 511 345 382 618 3406 580 143 709 688 330 566 288 728 773 388 320 449 207 octadecylglycerol MG O-18:0 103 169 76 168 91 74 181 45 141 75 34 121 155 119 108 93 41 288 148 36 237 259 869 159 530 319 195 317 325 314 336 469 500 271 644 227 501 339 256 135 oleic acid Oleic acid 12139 36285 15640 5262 5199 67721 4340 46228 5668 9985 75411 13108 7493 6176 26887 5090 61854 7558 18497 7874 14832 27896 7844 7477 11968 17877 50898 67596 5142 16006 58153 5815 17599 9496 16453 11019 8557 8539 4135 2709 ornithine Ornithine 13538 7714 17743 13431 7125 10046 9243 7549 9866 12458 8946 7196 6595 6231 10264 8464 5783 7099 3839 6090 6603 5475 3136 9758 5324 4230 6679 4504 4840 6234 6215 4263 3531 4700 4122 2713 5151 6870 4039 5416 orotic acid Orotic acid 161 403 77 288 152 79 121 80 239 108 78 155 140 81 77 118 52 260 170 89 126 186 606 148 193 394 109 108 228 118 161 246 165 155 136 155 228 154 451 225 oxalic acid Oxalic acid 358 530 270 605 385 239 155 24 214 30 175 350 294 330 81 290 43 761 507 141 76 477 841 182 637 481 178 332 393 157 124 408 1147 634 736 531 501 168 1204 418 oxoproline Oxoproline 65473 66884 71357 85891 60528 66987 71156 95237 91634 102542 90493 74980 66593 72448 74564 82323 61423 82238 75169 138143 59601 58164 77305 76339 69720 67214 60259 73861 74048 61883 60392 76971 80443 86119 75634 72010 67646 70137 100217 83390 palmitoleic acid Palmitoleic acid 25860 47373 11918 2947 2330 27096 3082 703 2348 14563 44753 11954 3200 4409 29275 3150 1149 2574 51106 5758 11641 16169 5457 15797 11099 29642 72727 29578 2100 15888 15907 4704 11089 8422 11919 4643 8735 5476 2727 4537 pantothenic acid Pantothenic acid 151 202 189 220 289 156 242 178 297 207 208 182 263 219 177 272 86 102 227 387 107 198 201 116 124 150 98 140 119 79 130 172 195 109 154 249 172 150 295 152 parabanic acid NIST Parabanic acid 462 165 440 589 82 552 534 590 245 527 609 139 202 390 534 407 239 221 162 486 471 165 157 280 532 150 316 204 133 489 377 272 152 334 352 166 221 139 200 158 p-cresol P-Cresol 26098 30635 36973 33762 32579 21391 33021 27282 44291 22153 28853 38717 30549 46912 14542 31165 27661 32462 35753 36082 30199 29489 43716 44073 37933 45087 25917 31733 32377 32212 25532 48083 36184 33491 26527 33339 28419 34366 59528 84307 pelargonic acid Pelargonic acid 905 1020 807 2924 740 1251 963 3590 1002 641 2126 1569 757 1367 404 1226 4334 852 930 1758 743 978 1108 1686 964 1062 1179 1900 835 922 729 1252 3387 928 969 1319 947 1070 1382 2075 pentadecanoic acid Pentadecylic acid 2476 8202 3474 1682 1549 3930 953 14673 1868 2791 3726 3203 2181 1220 7782 1746 30678 1768 2863 2192 3763 4005 3907 1892 2927 3853 15589 4434 1030 5430 5269 2207 4350 2310 5198 2725 2527 2398 1146 1295 pentonic acid 154 227 33 226 74 20 18 136 48 83 77 30 44 27 149 65 76 185 270 51 23 79 205 47 133 114 42 52 82 55 34 69 132 100 107 42 145 51 427 128 pentono-1_4-lactone Ribonolactone 92 72 606 135 78 87 507 84 655 170 122 18 567 44 168 40 44 114 93 46 64 73 99 60 92 77 39 58 97 29 20 59 114 60 103 49 46 28 195 132 phenylalanine Phenylalanine 69889 32745 47899 65807 26993 77375 58088 58340 27812 53954 64818 31838 43977 34245 78418 55818 16579 40063 20911 36518 38421 28163 21042 33476 36279 22642 40208 37391 38251 40864 44112 32013 29390 36907 42052 22297 30715 38277 16706 34102 phenylethylamine Phenylethylamine 1028 2603 2268 3345 3630 1024 978 2337 2567 1387 1869 1388 2494 2375 2199 4422 2854 1776 2474 4257 1544 2605 6498 1085 2699 4464 1814 2044 2307 2110 1631 3074 8077 3046 2718 2817 3112 4766 2959 3196 phosphate Phosphoric acid 21022 26447 29085 28710 37775 4612 20513 27040 39887 13327 25642 37018 27889 40675 21239 23005 27560 30402 26573 24608 17563 31976 25101 18638 4273 34112 25483 26938 30732 15271 24016 19916 32316 23657 24696 34157 32821 11777 38682 50663 phosphoethanolamine Phosphoethanolamine 87 16 95 146 47 67 106 596 124 853 1443 25 77 146 294 338 1930 71 145 4638 51 51 558 65 183 1883 93 105 351 255 109 545 170 129 1816 213 58 93 85 134 proline Proline 64208 71529 87252 66189 103921 72930 82891 45951 61724 57735 53433 95228 74793 75196 64949 57599 29872 78750 59910 57997 122857 84184 78657 103132 85385 80977 75208 108138 125975 118852 120739 82009 84518 98184 73933 73452 103178 130911 45172 70942 propane-1_3-diol NIST Propane-1,3-diol 185 138 199 214 211 129 207 144 284 138 89 207 167 283 44 179 175 212 193 210 146 188 311 266 230 243 128 153 193 197 140 293 195 198 127 202 182 182 387 539 pseudo uridine Pseudouridine 274 211 127 186 182 166 134 214 165 233 124 161 172 173 274 173 165 194 157 202 115 128 176 174 115 182 105 135 91 120 58 200 182 137 171 233 215 158 152 194 putrescine Putrescine 593 1143 735 561 361 401 406 523 227 422 381 586 405 358 555 422 566 186 398 148 507 489 883 333 195 248 765 141 83 474 415 174 251 316 510 426 297 281 607 306 pyrophosphate Pyrophosphate 176 372 426 170 116 137 274 295 706 409 984 520 146 502 242 310 512 314 186 561 190 285 972 447 543 865 402 783 202 488 300 669 473 630 550 564 215 318 356 812 ribitol Ribitol 115 142 158 138 160 131 100 194 313 134 177 137 249 204 271 229 122 126 286 232 82 108 203 120 157 132 103 115 147 91 112 142 160 247 197 244 227 167 316 130 ribonic acid Ribonic acid 122 200 33 201 52 20 18 150 48 74 42 30 52 27 125 45 88 158 307 51 23 100 160 47 65 94 26 28 64 55 34 96 98 82 89 67 127 51 481 189 ribose Ribose 46320 40013 44114 61341 62750 42359 60380 26110 55071 48177 24420 45076 81197 58773 71302 72517 13532 60972 61719 48842 21351 31085 10919 40624 15675 8261 14843 14091 10847 19178 19668 25855 26951 24543 16738 54964 36088 29685 71447 29719 salicylaldehyde 2-Hydroxybenzaldehyde 72 41 128 112 113 74 84 70 74 107 94 138 89 106 53 68 78 83 62 160 75 53 58 7 139 85 54 95 52 60 66 181 92 94 104 89 94 82 212 191 serine Serine 76142 63831 74820 91414 68625 77579 103173 42885 72883 74082 51111 84882 80055 81221 67982 73379 22351 86358 66632 54552 84232 58671 61344 92657 79044 71625 66528 78020 86061 90938 80667 84053 76489 86643 85034 67999 81954 89330 55399 76002 shikimic acid Shikimic acid 22 17 27 32 50 35 24 289 44 1260 639 29 47 21 591 32 29 171 43 174 104 27 295 35 26 150 35 52 128 105 99 77 150 75 63 72 241 133 468 207 sorbitol Sorbitol 5827 4527 10676 2204 2278 3493 4873 8835 1387 39484 28802 279 1856 496 713 454 1014 814 13570 2722 4508 1042 1407 509 2055 571 11740 6064 1365 6905 7333 2388 283 590 402 305 840 5076 1887 1084 spermidine Spermidine 440 503 246 345 159 374 143 1184 175 911 550 110 113 192 2002 441 706 172 243 262 153 171 89 218 374 81 239 72 62 416 98 214 106 117 223 330 94 94 157 140 squalene Squalene 62 40 61 55 65 86 100 134 74 189 76 107 90 117 152 109 330 106 93 124 118 236 71 88 95 85 15 154 39 80 85 268 95 62 148 83 61 17 73 58 stearic acid Stearic acid 149747 208452 210462 146735 161549 176868 125185 116794 193883 159955 203481 176543 178202 167684 109088 155185 323411 144526 239063 169178 141698 249371 180247 126763 153719 198786 220426 157971 75220 166670 158306 132988 180934 125819 197048 242764 124294 124488 126352 132438 succinate semialdehyde Succinic acid semialdehyde 552 821 530 652 686 556 1618 965 654 810 767 561 963 474 956 939 220 215 395 562 469 610 401 362 842 426 307 409 221 780 533 781 228 509 466 571 206 493 237 179 sucrose Sucrose 26 26 22 30 33 18 24 41 26 24 21 33 28 30 34 29 29 54 9 47 23 31 26 37 28 33 20 19 33 13 22 39 35 21 23 30 34 42 53 57 sulfuric acid TG 16:0_18:1_18:1 15 136 118 299 37 12 598 32 19 15 73 85 108 27 14 20 17 1047 36 15 101 93 142 1686 116 128 17 39 157 22 19 165 420 622 123 26 50 52 1857 845 taurine Taurine 15481 26872 18107 31355 17313 3727 23658 6280 16374 7240 12525 13385 34453 20392 4946 18517 8946 36395 16759 13752 25864 23643 20161 27079 42171 49172 10441 22734 37054 27727 19931 34954 40969 33067 30806 10667 32225 26998 46393 39028 threonic acid Threonic acid 324 368 438 422 241 209 140 94 393 282 143 364 618 632 327 331 122 217 181 297 102 206 583 257 241 544 193 659 244 146 232 1191 194 410 210 334 510 163 1197 1612 threonine Threonine 31863 23494 31999 37615 26166 32662 40612 20873 31623 35590 22842 33294 25806 27598 27367 29346 12001 32164 25762 27397 36303 24687 25251 38958 31782 29977 26885 35832 37165 35754 35434 33015 29147 31312 30726 23686 31972 38332 22497 34654 thymine Thymine 96 60 253 84 201 125 323 99 21 85 79 148 154 171 95 111 52 269 82 86 185 200 266 634 231 141 139 151 271 117 199 402 184 218 148 219 323 184 285 353 tocopherol alpha- alpha-Tocopherol 186 167 129 134 245 103 224 433 334 217 175 269 236 218 266 210 415 123 298 195 191 241 277 118 247 180 211 188 167 204 159 364 202 145 153 293 174 198 283 140 trans-4-hydroxyproline trans-4-Hydroxyproline 4234 3805 3430 3734 4084 3014 2361 4717 5904 4261 5488 3087 4520 4523 4938 5385 5880 3120 2833 7832 2335 2638 3895 2845 3720 3006 2307 3065 3348 2692 3010 3520 4050 4937 3169 4470 3948 3231 4105 2640 tryptophan Tryptophan 27852 5791 25903 21222 5445 29155 16957 9004 8713 40215 20336 8663 9371 11303 17411 15456 2980 9880 4763 10812 15232 9511 4601 10649 12593 5979 4613 7939 7159 17363 13073 8294 7758 10591 12249 5486 7201 5357 3527 5848 tyrosine Tyrosine 7264 14104 11676 9750 15219 11081 11494 17255 12760 12323 11425 22367 21275 8934 13748 8028 3799 15522 14016 29317 7692 15354 10674 6959 5645 12682 23619 21894 18235 9301 10702 12138 13801 6696 13843 16378 13451 18767 7958 18976 UDP GlcNAc UDP-N-acetylglucosamine 25 19 22 29 31 23 21 63 34 50 63 43 19 31 44 27 49 20 21 112 20 24 38 47 42 50 31 10 61 46 20 30 11 56 65 22 40 15 37 44 UDP-glucuronic acid UDP-glucuronic acid 40 44 31 49 59 25 95 24 19 22 28 24 27 35 40 27 35 92 59 19 83 41 103 39 109 30 125 203 136 65 42 85 82 96 72 32 71 93 162 106 uracil Uracil 16448 22248 16200 21853 22405 12374 16451 15284 21514 14879 8759 16807 23630 20967 18122 22918 7541 22384 24218 17724 10345 14640 22931 14310 17610 15221 7990 10244 12522 11642 12321 15423 15328 14759 13561 26022 17854 14494 35073 18650 urea Urea 23694 18119 8510 14349 16008 6452 13886 9009 18852 13801 14138 13132 19070 14266 15437 16881 9791 15740 7905 17240 440 11203 16882 14553 690 16629 492 6099 4366 5338 99 13110 23629 10465 9355 25259 867 1251 19455 13135 uric acid Uric acid 8563 9591 11560 9748 13641 8166 10888 5582 10926 7095 2917 10219 10114 12432 3984 4392 9810 7890 12562 1012 3270 12759 15416 8595 9185 10111 8507 9943 10132 8050 7218 13857 7470 14547 5450 5231 8744 3619 22602 14553 uridine Uridine 307 381 169 230 254 208 221 963 152 822 1730 226 259 208 540 243 882 364 269 2616 268 256 754 182 307 364 336 211 142 147 223 574 440 2239 664 243 416 180 420 369 valine Valine 85656 64767 86800 91419 67123 91951 105143 60624 59036 89833 61910 77571 69858 71126 85516 68619 21950 80421 43536 55709 106786 68190 54935 98127 81253 65070 72373 92725 98742 89715 90229 77865 69470 80967 73707 53610 79392 103147 45295 93851 xanthine Xanthine 3828 4758 7350 109 7863 3892 4141 5783 14237 9705 8852 6606 11536 9040 6517 9266 3063 179 9276 11137 7193 60 2473 9592 420 10262 4574 4843 6018 7794 8645 6731 3501 8867 5089 3107 5698 10448 4135 5110 xanthosine Xanthosine 35 63 38 27 28 22 50 12 32 22 34 22 58 50 40 60 45 26 21 53 42 31 80 65 50 86 42 53 79 73 68 78 85 71 62 59 96 60 84 79 xylitol Xylitol 1135 1343 2091 1712 2756 1086 968 1647 1837 1179 1846 1869 2032 1768 1754 1800 1093 1348 2694 1498 768 1123 1279 1378 1431 748 1137 864 717 950 1126 1644 1262 1421 857 1693 1493 809 3071 903 xylose Xylose 321 106 251 279 277 178 307 252 336 237 81 189 294 176 302 169 203 393 310 352 293 136 377 309 446 266 310 255 391 282 296 175 342 151 478 382 345 301 473 369