Table 1.
Identification of Serum Endogenous Metabolites During LPS-Induced Acute Systemic Inflammation
| No. | RT | m/z | Mode | Metabolites | Formula | KEGG | Pathway | VIP | P | Fold Change CTRL/LPS | Tendency in Model Samples | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | Amino acid | 85.52 | 147.04796 | [M]- | L-Glutamic acid | C5H9NO4 | C00025 | 1, 4, 7, 33, 50 | 2.1417 | 5.612E-08 | 2.3650 | Down |
| 2 | 92.35 | 104.10701 | [M+H]+ | Gamma-Aminobutyric acid | C4H9NO2 | C00334 | 1, 7, 11 | 2.0993 | 5.699E-08 | 1.5024 | Down | |
| 3 | 396.96 | 298.09602 | [M+H]+ | 5-Methylthioadenosine | C11H15N5O3S | C00170 | 3 | 2.0409 | 4E-07 | 0.3102 | Up | |
| 4 | 85.88 | 132.02873 | [M-H]- | L-Aspartic acid | C4H7NO4 | C00049 | 1, 20, 22 | 2.0384 | 1.292E-06 | 2.0208 | Down | |
| 5 | 106.83 | 613.15095 | [M+H]+ | Oxidized glutathione | C20H32N6O12S2 | C00127 | 4 | 2.0367 | 4.531E-07 | 3.6806 | Down | |
| 6 | 391.91 | 206.08193 | [M-H]- | N-Acetyl-L-phenylal\ine | C11H13NO3 | C03519 | 9 | 1.9666 | 6.555E-06 | 0.2031 | Up | |
| 7 | 95.63 | 288.0738 | [M+H]+ | Indoleglycerol phosphate | C11H14NO6P | C03506 | 5 | 1.9568 | 3.517E-06 | 2.7345 | Down | |
| 8 | 102.83 | 116.07015 | [M+H]+ | L-Proline | C5H9NO2 | C00148 | 7 | 1.8878 | 1.451E-05 | 1.5651 | Down | |
| 9 | 93.86 | 239.01536 | [M-H]- | L-Cystine | C6H12N2O4S2 | C00491 | 3 | 1.8875 | 2.833E-05 | 0.3699 | Up | |
| 10 | 219.24 | 136.07489 | [M+H]+ | 2-Phenylacetamide | C8H9NO | C02505 | 9 | 1.8839 | 1.562E-05 | 1.3932 | Down | |
| 11 | 709.51 | 117.05395 | [M]- | Guanidoacetic acid | C3H7N3O2 | C00581 | 7, 22 | 1.8622 | 4.282E-05 | 0.3102 | Up | |
| 12 | 812.56 | 116.92614 | [M-H]- | Methylmalonic acid | C4H6O4 | C02170 | 16, 18, 43 | 1.8387 | 6.167E-05 | 0.2975 | Up | |
| 13 | 463.66 | 219.11207 | [M+H]+ | N-Acetylserotonin | C12H14N2O2 | C00978 | 13 | 1.8041 | 6.027E-05 | 5.0426 | Down | |
| 14 | 84.31 | 188.05558 | [M-H]- | N-Acetylglutamic acid | C7H11NO5 | C00624 | 47 | 1.7666 | 0.00017 | 2.1637 | Down | |
| 15 | 397.18 | 136.0616 | [M]+ | Phenylacetic acid | C8H8O2 | C07086 | 9 | 1.6887 | 0.0002962 | 0.5972 | Up | |
| 16 | 92.99 | 106.04999 | [M+H]+ | L-Serine | C3H7NO3 | C00065 | 3, 22, 32 | 1.6002 | 0.0008134 | 1.4324 | Down | |
| 17 | 418.32 | 198.11233 | [M+H]+ | Metanephrine | C10H15NO3 | C05588 | 23 | 1.5776 | 0.0010297 | 0.3770 | Up | |
| 18 | 839.83 | 101.07103 | [M]+ | 1-Aminocyclopropanecarboxylic acid | C4H7NO2 | C01234 | 3 | 1.5383 | 0.0015187 | 0.4098 | Up | |
| 19 | 93.54 | 148.07961 | [M]+ | 2,3-Dihydroxy-3-methylvalerate | C6H12O4 | C06007 | 26 | 1.5335 | 0.0015901 | 0.6896 | Up | |
| 20 | 320.58 | 173.0789 | [M]+ | 2-Oxoarginine | C6H11N3O3 | C03771 | 7, 29 | 1.5202 | 0.0018031 | 0.4542 | Up | |
| 21 | 92.13 | 124.00605 | [M-H]- | Taurine | C2H7NO3S | C00245 | 50, 53 | 1.5014 | 0.0027829 | 1.5417 | Down | |
| 22 | 71.26 | 111.05538 | [M+H]+ | Imidazole-4-acetaldehyde | C5H6N2O | C05130 | 28 | 1.4950 | 0.0022704 | 1.9201 | Down | |
| 23 | 196.33 | 166.05778 | [M]+ | D-Phenyllactic acid | C9H10O3 | C05607 | 9 | 1.4933 | 0.0023051 | 2.3332 | Down | |
| 24 | 336.58 | 246.1525 | [M+H]+ | Beta-Alanyl-L-arginine | C9H19N5O3 | C05340 | 30 | 1.4840 | 0.0025047 | 0.4130 | Up | |
| 25 | 154.62 | 247.13983 | [M+H]+ | D-Octopine | C9H18N4O4 | C04137 | 7 | 1.4473 | 0.003436 | 2.9978 | Down | |
| 26 | 93.62 | 147.07582 | [M+H]+ | L-Glutamine | C5H10N2O3 | C00064 | 1, 2, 33 | 1.4442 | 0.0035253 | 0.7408 | Up | |
| 27 | 93.52 | 90.055385 | [M+H]+ | Beta-Alanine | C3H7NO2 | C00099 | 20, 30 | 1.4077 | 0.0047457 | 1.3380 | Down | |
| 28 | 70.63 | 131.97461 | [M]+ | Glutaric acid | C5H8O4 | C00489 | 35, 44 | 1.3731 | 0.006202 | 0.9227 | Up | |
| 29 | 196.31 | 182.08095 | [M+H]+ | Beta-Tyrosine | C9H11NO3 | C04368 | 23 | 1.3581 | 0.0069395 | 1.3754 | Down | |
| 30 | 152.83 | 136.06155 | [M]+ | 4-Hydroxyphenylacetaldehyde | C8H8O2 | C03765 | 23 | 1.3544 | 0.0071325 | 0.7163 | Up | |
| 31 | 150.66 | 136.95299 | [M]+ | 2-Aminobenzoic acid | C7H7NO2 | C00108 | 13 | 1.3477 | 0.0074936 | 0.7611 | Up | |
| 32 | 326.52 | 177.10205 | [M+H]+ | 5-Hydroxytryptamine | C10H12N2O | C00780 | 13 | 1.3426 | 0.0077805 | 1.6931 | Down | |
| 33 | 102.76 | 154.01655 | [M+H]+ | 3-Sulfinoalanine | C3H7NO4S | C00606 | 3, 50 | 1.3352 | 0.0082028 | 2.4910 | Down | |
| 34 | 348.68 | 209.09192 | [M+H]+ | 3-Anthraniloyl-L-alanine | C10H12N2O3 | C00328 | 13 | 1.3330 | 0.0083362 | 0.6056 | Up | |
| 35 | 102.36 | 427.09116 | [M+H]+ | S-Glutathionyl-L-cysteine | C13H22N4O8S2 | C05526 | 3 | 1.3297 | 0.0085367 | 1.3485 | Down | |
| 36 | 78.37 | 89.107679 | [M+H]+ | Putrescine | C4H12N2 | C00134 | 4, 7, 29 | 1.3263 | 0.0087457 | 0.3685 | Up | |
| 37 | 444.35 | 130.06486 | [M-H]- | 3-Methylindole | C9H9N | C08313 | 13 | 1.3236 | 0.0106792 | 0.4467 | Up | |
| 38 | 181.61 | 130.04916 | [M+H]+ | Pyroglutamic acid | C5H7NO3 | C01879 | 4 | 1.3064 | 0.0100556 | 1.3047 | Down | |
| 39 | 451.31 | 191.08114 | [M]+ | 2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid | C7H13NO5 | C16850 | 5 | 1.2849 | 0.0116425 | 1.9810 | Down | |
| 40 | 451.06 | 160.07442 | [M+H]+ | Indoleacetaldehyde | C10H9NO | C00637 | 13 | 1.2233 | 0.0173649 | 1.9142 | Down | |
| 41 | 431.86 | 190.04945 | [M+H]+ | Kynurenic acid | C10H7NO3 | C01717 | 13 | 1.2212 | 0.0175879 | 0.6294 | Up | |
| 42 | 160.73 | 248.05441 | [M-H2O-H]- | S-Ribosyl-L-homocysteine | C9H17NO6S | C03539 | 3 | 1.2138 | 0.021276 | 1.7743 | Down | |
| 43 | 96.11 | 174.08755 | [M-H]- | L-Citrulline | C6H13N3O3 | C00327 | 47 | 1.1905 | 0.024337 | 0.6324 | Up | |
| 44 | 787.66 | 105.06989 | [M+H-H2O]+ | 2-Phenylethanol | C8H10O | C05853 | 9 | 1.1857 | 0.0218212 | 1.6524 | Down | |
| 45 | 101.15 | 116.04561 | [M]+ | Glutarate semialdehyde | C5H8O3 | C03273 | 35 | 1.1769 | 0.0229994 | 0.7723 | Up | |
| 46 | 96.48 | 145.0493 | [M]+ | 2-Oxoglutaramate | C5H7NO4 | C00940 | 1 | 1.1653 | 0.0246083 | 1.3173 | Down | |
| 47 | 230.53 | 305.09713 | [M+H]+ | N-Acetylaspartylglutamic acid | C11H16N2O8 | C12270 | 1 | 1.1556 | 0.0260294 | 0.5559 | Up | |
| 48 | 794.90 | 156.12007 | [M]+ | 3-Indoleacetonitrile | C10H8N2 | C02938 | 13 | 1.1492 | 0.0269884 | 1.2237 | Down | |
| 49 | 132.43 | 166.05252 | [M+H]+ | L-Methionine S-oxide | C5H11NO3S | C02989 | 3 | 1.1051 | 0.0344715 | 1.3616 | Down | |
| 50 | 76.92 | 120.98084 | [M]+ | L-Cysteine | C3H7NO2S | C00097 | 3, 20, 22, 50 | 1.1003 | 0.0353727 | 3.3363 | Down | |
| 51 | 152.87 | 219.09713 | [M+H]+ | Gamma-Glutamylalanine | C7H11N2O5R | C03740 | 4 | 1.0870 | 0.0379579 | 0.5292 | Down | |
| 52 | 111.67 | 155.04301 | [M+H]+ | Imidazole pyruvate | C6H6N2O3 | C03277 | 28 | 1.0862 | 0.0381262 | 0.5728 | Up | |
| 53 | 222.79 | 132.10128 | [M+H]+ | L-Isoleucine | C6H13NO2 | C00407 | 43 | 1.0849 | 0.0383927 | 1.4439 | Down | |
| 54 | 185.84 | 162.07566 | [M+H]+ | O-Acetyl-L-homoserine | C6H11NO4 | C01077 | 3 | 1.0759 | 0.0402448 | 0.5791 | Up | |
| 55 | 207.90 | 177.04056 | [M]- | N-Formyl-L-methionine | C6H11NO3S | C03145 | 3 | 45 | 0.0456168 | 1.6241 | Down | |
| 56 | 257.22 | 161.04418 | [M+H]+ | Oxoadipic acid | C6H8O5 | C00322 | 8, 13 | 1.0535 | 0.0451565 | 0.4988 | Up | |
| 57 | Carbohydrate | 76.28 | 146.02944 | [M]+ | Oxoglutaric acid | C5H6O5 | C00026 | 6, 33, 35, 47, 50 | 1.9426 | 4.812E-06 | 2.6342 | Down |
| 58 | 84.08 | 117.01783 | [M-H]- | Succinic acid | C4H6O4 | C00042 | 1, 6, 11, 14 | 1.9358 | 1.199E-05 | 1.8537 | Down | |
| 59 | 76.45 | 151.03491 | [M+H]+ | D-Ribose | C5H10O5 | C00121 | 10, 22, 32 | 1.8615 | 2.339E-05 | 2.4030 | Down | |
| 60 | 87.23 | 105.01774 | [M-H]- | Glyceric acid | C3H6O4 | C00258 | 32 | 1.7429 | 0.0002301 | 1.8800 | Down | |
| 61 | 687.24 | 139.9865 | [M]+ | Acetylphosphate | C2H5O5P | C00227 | 14, 50 | 1.7397 | 0.0001532 | 3.6373 | Down | |
| 62 | 84.16 | 259.02215 | [M-H]- | Fructose 6-phosphate | C6H13O9P | C00085 | 45, 48 | 1.7231 | 0.000294 | 1.7743 | Down | |
| 63 | 847.75 | 165.0766 | [M+H]+ | L-Fucose | C6H12O5 | C00507 | 24 | 1.5687 | 0.0011267 | 0.8916 | Up | |
| 64 | 580.84 | 181.0493 | [M+H]+ | D-Fructose | C6H12O6 | C00095 | 24, 45, 48 | 1.5002 | 0.0021661 | 0.4046 | Up | |
| 65 | 86.07 | 324.09389 | [M-H]- | N-Glycolylneuraminic acid | C11H19NO10 | C03410 | 51 | 1.4693 | 0.0036356 | 1.3034 | Down | |
| 66 | 420.15 | 177.05451 | [M+H]+ | 2-Hydroxy-3-oxoadipate | C6H8O6 | C03217 | 32 | 1.4467 | 0.0034521 | 1.5977 | Down | |
| 67 | 82.99 | 115.00212 | [M-H]- | Maleic acid | C4H4O4 | C01384 | 11, 23, 51 | 1.4185 | 0.0054211 | 1.3706 | Down | |
| 68 | 85.78 | 194.03817 | [M]- | D-Glucuronic Acid | C6H10O7 | C00191 | 52 | 1.3863 | 0.0068905 | 0.4635 | Up | |
| 69 | 97.55 | 181.07057 | [M-H]- | Galactitol | C6H14O6 | C01697 | 48 | 1.3828 | 0.0070679 | 1.6941 | Down | |
| 70 | 84.58 | 289.03361 | [M-H]- | Sedoheptulose 7-phosphate | C7H15O10P | C05382 | 10 | 1.3491 | 0.0089739 | 2.0111 | Down | |
| 71 | 398.36 | 183.10128 | [M+H]+ | Mannitol | C6H14O6 | C00392 | 24 | 1.3477 | 0.0074953 | 0.4008 | Up | |
| 72 | 131.53 | 89.02275 | [M-H]- | L-Lactic acid | C3H6O3 | C00186 | 14, 18, 24 | 1.3014 | 0.0123705 | 0.4545 | Up | |
| 73 | 447.22 | 102.09117 | [M]+ | Succinic acid semialdehyde | C4H6O3 | C00232 | 1, 11, 17, 23 | 1.2481 | 0.0148418 | 1.6362 | Down | |
| 74 | 416.39 | 164.07022 | [M]+ | L-Rhamnofuranose | C6H12O5 | C02431 | 24 | 1.2473 | 0.0149114 | 1.6877 | Down | |
| 75 | 153.00 | 179.04493 | [M+H]+ | Gluconolactone | C6H10O6 | C00198 | 10 | 1.1577 | 0.0257119 | 0.5064 | Up | |
| 76 | 76.89 | 102.97047 | [M+H]+ | 2-Ketobutyric acid | C4H6O3 | C00109 | 3, 18, 22, 26 | 1.1473 | 0.0272784 | 2.6591 | Down | |
| 77 | 44.62 | 116.10698 | [M]+ | Fumaric acid | C4H4O4 | C00122 | 11, 14, 23, 39, 47 | 1.1402 | 0.0283987 | 0.6892 | Up | |
| 78 | 754.41 | 343.29421 | [M+H]+ | Sucrose | C12H22O11 | C00089 | 45, 48 | 1.0393 | 0.0485209 | 1.5138 | Down | |
| 79 | Cofactors and Vitamins | 299.22 | 168.06561 | [M-H]- | Pyridoxine | C8H11NO3 | C00314 | 17 | 1.8292 | 7.101E-05 | 13.4700 | Down |
| 80 | 397.19 | 191.02002 | [M-H]- | 2-Dehydro-3-deoxy-D-glucarate | C6H8O7 | C03921 | 49 | 1.6865 | 0.0004511 | 0.2047 | Up | |
| 81 | 328.20 | 183.05099 | [M]+ | 4-Pyridoxic acid | C8H9NO4 | C00847 | 17 | 1.6697 | 0.0003729 | 0.4373 | Up | |
| 82 | 83.71 | 209.02964 | [M-H]- | Galactaric acid | C6H10O8 | C00879 | 49 | 1.4517 | 0.0041889 | 1.5491 | Down | |
| 83 | 746.26 | 583.25244 | [M+H]+ | Biliverdin | C33H34N4O6 | C00500 | 36 | 1.3440 | 0.0077015 | 0.3850 | Up | |
| 84 | 208.94 | 240.10835 | [M+H]+ | Dihydrobiopterin | C9H13N5O3 | C02953 | 37 | 1.2961 | 0.0107908 | 0.5629 | Up | |
| 85 | 90.24 | 189.15935 | [M+H]+ | 7,8-Diaminononanoate | C9H20N2O2 | C01037 | 41 | 1.2250 | 0.0171781 | 0.3611 | Up | |
| 86 | 371.12 | 220.11757 | [M+H]+ | Pantothenic acid | C9H17NO5 | C00864 | 20, 30 | 1.1355 | 0.0291618 | 0.7327 | Up | |
| 87 | 405.28 | 413.13859 | [M]+ | 6-Amino-6-deoxyfutalosine | C19H19N5O6 | C20773 | 21 | 1.1222 | 0.0313913 | 0.4525 | Up | |
| 88 | Energy | 723.67 | 251.12682 | [M+H]+ | Ubiquinone-1 | C14H18O4 | C00399 | 39 | 1.2849 | 0.0116498 | 0.2111 | Up |
| 89 | Lipid | 813.99 | 335.22378 | [M-H]- | Hepoxilin B3 | C20H32O4 | C14810 | 12 | 2.0555 | 8.292E-07 | 6.1510 | Down |
| 90 | 606.61 | 465.30538 | [M]- | Glycocholic acid | C26H43NO6 | C01921 | 46 | 1.9985 | 3.318E-06 | 14.3250 | Down | |
| 91 | 833.89 | 317.2122 | [M-H]- | 5-KETE | C20H30O3 | C14732 | 12 | 1.8617 | 4.318E-05 | 5.2469 | Down | |
| 92 | 93.66 | 102.95519 | [M-H]- | Malonate | C3H4O4 | C00383 | 16, 30, 44 | 1.8564 | 4.696E-05 | 0.7676 | Up | |
| 93 | 606.94 | 335.2211 | [M+H]+ | 12-Keto-leukotriene B4 | C20H30O4 | C05949 | 12 | 1.8505 | 2.832E-05 | 4.7623 | Down | |
| 94 | 85.48 | 171.00529 | [M-H]- | Glycerophosphoric acid | C3H9O6P | C00093 | 27, 42 | 1.7947 | 0.0001164 | 0.5785 | Up | |
| 95 | 818.82 | 378.2431 | [M-H]- | Sphingosine 1-phosphate | C18H38NO5P | C06124 | 27 | 1.7132 | 0.0003308 | 1.5492 | Down | |
| 96 | 34.39 | 148.97762 | [M+H]+ | L-2-Hydroxyglutaric acid | C5H8O5 | C03196 | 35 | 1.7110 | 0.0002237 | 0.9318 | Up | |
| 97 | 732.19 | 313.23964 | [M-H]- | 9,10-DHOA | C18H34O4 | C14828 | 34 | 1.6171 | 0.0009503 | 1.8629 | Down | |
| 98 | 787.12 | 279.23352 | [M-H]- | Rumenic acid | C18H32O2 | C04056 | 34 | 1.5916 | 0.0012235 | 0.5072 | Up | |
| 99 | 830.10 | 382.27236 | [M+H]+ | Sphinganine 1-phosphate | C18H40NO5P | C01120 | 27 | 1.5260 | 0.0017061 | 1.5645 | Down | |
| 100 | 557.52 | 369.22838 | [M-H]- | Thromboxane B2 | C20H34O6 | C05963 | 12 | 1.4837 | 0.0032286 | 2.5713 | Down | |
| 101 | 815.19 | 387.19463 | [M+H]+ | Cholesterol | C27H46O | C00187 | 31, 38, 46 | 1.4589 | 0.003114 | 0.7189 | Up | |
| 102 | 858.53 | 317.21005 | [M+H-H2O]+ | Delta-12-Prostaglandin J2 | C20H30O4 | C05958 | 12 | 1.4140 | 0.0045121 | 0.0882 | Up | |
| 103 | 753.98 | 295.22596 | [M+H-H2O]+ | 13(S)-HPOD | C18H32O4 | C04717 | 34 | 1.3934 | 0.0053104 | 0.9383 | Up | |
| 104 | 675.90 | 369.22353 | [M+H]+ | 11-Dehydro-thromboxane B2 | C20H32O6 | C05964 | 12 | 1.3150 | 0.0094714 | 1.2263 | Down | |
| 105 | 622.55 | 363.21553 | [M+H]+ | 18-Hydroxycorticosterone | C21H30O5 | C01124 | 38 | 1.2890 | 0.0113286 | 0.1270 | Up | |
| 106 | 723.59 | 371.25644 | [M+H]+ | 6-Keto-prostaglandin F1a | C20H34O6 | C05961 | 12 | 1.2567 | 0.0140377 | 0.1709 | Up | |
| 107 | 70.81 | 88.076036 | [M]+ | Butyric acid | C4H8O2 | C00246 | 11 | 1.2438 | 0.0152528 | 1.4739 | Down | |
| 108 | 464.75 | 445.18972 | [M-H]- | Estrone glucuronide | C24H30O8 | C11133 | 38 | 1.2126 | 0.0214229 | 0.3373 | Up | |
| 109 | 101.65 | 146.11687 | [M+H]+ | Acetylcholine | C7H16NO2 | C01996 | 42 | 1.1982 | 0.0202529 | 0.6468 | Up | |
| 110 | 833.84 | 279.23355 | [M-H]- | Linoleic acid | C18H32O2 | C01595 | 34 | 1.1799 | 0.0258432 | 0.5599 | Up | |
| 111 | 828.90 | 295.22808 | [M-H]- | 9(10)-EpOME | C18H32O3 | C14825 | 34 | 1.1503 | 0.0304467 | 1.4408 | Down | |
| 112 | 857.49 | 221.18957 | [M+H]+ | 2-trans,6-trans-Farnesal | C15H24O | C03461 | 19 | 1.1469 | 0.0273532 | 0.7329 | Up | |
| 113 | 670.16 | 448.30825 | [M-H]- | Glycochenodeoxycholic acid | C26H43NO5 | C05466 | 46 | 1.0824 | 0.0434284 | 7.9206 | Down | |
| 114 | 421.39 | 283.17422 | [M+H]+ | Oleic acid | C18H34O2 | C00712 | 44 | 1.0479 | 0.0464643 | 0.8811 | Up | |
| 115 | Nucleotide | 107.58 | 283.06836 | [M-H]- | Xanthosine | C10H12N4O6 | C01762 | 2 | 2.1222 | 1.121E-07 | 6.4458 | Down |
| 116 | 331.25 | 153.04041 | [M+H]+ | Xanthine | C5H4N4O2 | C00385 | 2 | 2.0620 | 2.084E-07 | 5.9132 | Down | |
| 117 | 214.95 | 243.06182 | [M-H]- | Uridine | C9H12N2O6 | C00299 | 16 | 1.9477 | 9.548E-06 | 3.3624 | Down | |
| 118 | 288.21 | 268.10346 | [M+H]+ | Adenosine | C10H13N5O4 | C00212 | 2 | 1.6969 | 0.0002674 | 2.0077 | Down | |
| 119 | 153.21 | 228.09663 | [M+H]+ | Deoxycytidine | C9H13N3O4 | C00881 | 16 | 1.6858 | 0.0003071 | 0.7351 | Up | |
| 120 | 106.59 | 112.05117 | [M+H]+ | Cytosine | C4H5N3O | C00380 | 16 | 1.4547 | 0.0032268 | 0.8241 | Up | |
| 121 | 320.66 | 134.04521 | [M-H]- | Adenine | C5H5N5 | C00147 | 2 | 1.4489 | 0.0042826 | 2.8024 | Down | |
| 122 | 294.35 | 115.03875 | [M+H]+ | Dihydrouracil | C4H6N2O2 | C00429 | 16, 20, 30 | 1.4191 | 0.0043329 | 0.4377 | Up | |
| 123 | 182.23 | 135.0284 | [M-H]- | Hypoxanthine | C5H4N4O | C00262 | 2 | 1.3132 | 0.0114433 | 0.2934 | Up | |
| 124 | 77.05 | 125.98603 | [M]+ | Thymine | C5H6N2O2 | C00178 | 16 | 1.2065 | 0.0192534 | 2.5736 | Down | |
| 125 | 106.34 | 244.09162 | [M+H]+ | Cytidine | C9H13N3O5 | C00475 | 16 | 1.1554 | 0.0260572 | 1.4451 | Down | |
| 126 | 157.06 | 243.0618 | [M-H]- | Pseudouridine | C9H12N2O6 | C02067 | 16 | 1.0540 | 0.0499762 | 0.6966 | Up | |
| 127 | Peptide | 831.64 | 250.11792 | [M]+ | Gamma-Glutamylcysteine | C8H14N2O5S | C00669 | 4 | 1.2754 | 0.0124114 | 1.4233 | Down |
Notes: Pathway name: 1 alanine, aspartate and glutamate metabolism; 2 purine metabolism; 3 cysteine and methionine metabolism; 4 glutathione metabolism; 5 phenylalanine, tyrosine and tryptophan biosynthesis; 6 citrate cycle (TCA cycle); 7 arginine and proline metabolism; 8 lysine biosynthesis; 9 phenylalanine metabolism; 10 pentose phosphate pathway; 11 butanoate metabolism; 12 arachidonic acid metabolism; 13 tryptophan metabolism; 14 pyruvate metabolism; 15 hydroxy fatty acids; 16 pyrimidine metabolism; 17 vitamin B6 metabolism; 18 propanoate metabolism; 19 terpenoid backbone biosynthesis; 20 pantothenate and CoA biosynthesis; 21 ubiquinone and other terpenoid-quinone biosynthesis; 22 glycine, serine and threonine metabolism; 23 tyrosine metabolism; 24 fructose and mannose metabolism; 25 saturated fatty acids; 26 valine, leucine and isoleucine biosynthesis; 27 sphingoLipid; 28 histidine metabolism; 29 D-arginine and D-ornithine metabolism; 30 beta-alanine metabolism; 31 steroid biosynthesis; 32 glyoxylate and dicarboxylate metabolism; 33 D-glutamine and D-glutamate metabolism; 34 linoleic acid metabolism; 35 lysine degradation; 36 porphyrin and chlorophyll metabolism; 37 folate biosynthesis; 38 steroid hormone biosynthesis; 39 oxidative phosphorylation; 40 gamma-glutamyl amino acid; 41 biotin metabolism; 42 glycerophosphoLipid; 43 valine, leucine and isoleucine degradation; 44 fatty acid biosynthesis; 45 starch and sucrose metabolism; 46 primary bile acid biosynthesis; 47 arginine biosynthesis; 48 galactose metabolism; 49 ascorbate and aldarate metabolism; 50 taurine and hypotaurine metabolism; 51 amino sugar and nucleotide sugar metabolism; 52 pentose and glucuronate interconversions; 53 primary bile acid biosynthesis.