Table 1.
Validated urinary metabolites at 4 and 24 h in wild-type and p53−/− mice after ionizing radiation exposure.
| Metabolite | Adduct | RT (min) |
Experimental (m/z) | Calculated (m/z) | Mass Error (ppm) | Formula | HMDB ID | Metabolic Pathway |
|---|---|---|---|---|---|---|---|---|
| Carnitine | [M + H]+ | 0.29 | 162.1137 | 162.1130 | 4.3 | C7H15NO3 | 0000062 | Fatty acid β oxidation |
| Kynurenic acid | [M + H]+ | 1.36 | 190.0512 | 190.0504 | 4.2 | C10H7NO3 | 0000715 | Tryptophan metabolism |
| Hippuric acid | [M + H]+ | 1.75 | 180.0669 | 180.0661 | 4.4 | C9H9NO3 | 0000714 | Phenylalanine metabolism/Glycine conjugation |
| Phenylacetylglycine | [M + H]+ | 2.33 | 194.0817 | 194.0817 | 0.0 | C10H11NO3 | 0000821 | Phenylalanine metabolism/Glycine conjugation |
| Creatine | [M + H]+ | 0.29 | 132.0780 | 132.0773 | 5.3 | C4H9N3O2 | 0000064 | Amino acid metabolism |
| 4-Pyridoxic acid | [M + H]+ | 0.34 | 184.0603 | 184.0610 | 3.8 | C8H9NO4 | 0000017 | Vitamin B6 metabolism |
| MHPG-SO4 | [M − H]− | 0.39 | 263.0224 | 263.0226 | 0.6 | C9H12O7S | 0000559 | Noradrenaline metabolism |
| 1-Methylhistamine | [M + H]+ | 0.25 | 126.1033 | 126.1031 | 1.4 | C6H11N3 | 0000898 | Histidine metabolism |
| 1-Methylnicotinamide | [M + H]+ | 0.28 | 137.0722 | 137.0715 | 5.2 | C7H8N2O | 0000699 | Nicotinate and nicotinamide metabolism |
| N1-Acetylspermidine | [M + H]+ | 0.25 | 188.1769 | 188.1763 | 3.3 | C9H21N3O | 0001276 | Polyamine metabolism |
* Metabolic pathways identified in MetaboAnalyst using the Kyoto Encyclopedia of Genes and Genomes (KEGG), The Small Molecule Pathway Database, and the Human Metabolome Database (HMDB).