Metabolite MW (Da) | Tentative identification | HMDB ID | Formula | RT (min) | q value | Fold change | Pathway/process | Confirmation of identity |
---|---|---|---|---|---|---|---|---|
60.0325 | Urea | HMDB00294 | CH4N2O | 1.45 | 2.51E−05 | 1.70 | (a) | |
76.0160 | Glycolic acid | HMDB03035 | C2H4O2 | 3.88 | 1.50E−02 | 1.34 | Glyoxylate and dicarboxylate metabolism [1] | (a) |
101.5395 | Unknown | – | – | 1.51 | 1.83E−04 | 8.03 | – | – |
113.0589 | Creatinine | HMDB00562 | C4H7N3O | 3.11 | 1.43E−02 | 1.13 | Arginine and proline metabolism [1] | (a, c) |
118.0266 | Succinic acid | HMDB00254 | C4H6O4 | 3.08 | 4.99E−02 | 1.08 | (a, c) | |
119.0582 | l-Threonine | HMDB00167 | C4H9NO3 | 6.53 | 4.08E−04 | 3.02 | (a, c) | |
125.0147 | Taurine | HMDB00251 | C2H7NO3S | 4.29 | 2.96E−05 | 5.39 | Taurine metabolism, Nitrogen metabolism [1] | (a, c) |
128.0837 | 1,3-Diacetylpropane | HMDB29165 | C7H12O2 | 6.46 | 7.62E−04 | 35.89 | Polyamine metabolism [2] | (a) |
129.0790 | Pipecolic acid | HMDB00070 | C6H11NO2 | 2.18 | 3.28E−02 | 1.34 | Lysine degradation [1] | (a) |
130.1106 | N-Acetylputrescine | HMDB02064 | C6H14N2O | 6.62 | 3.23E−04 | 1.69 | (a, b) | |
139.0633 | 3,4-Dihydroxybenzylamine | HMDB12153 | C7H9NO2 | 3.25 | 7.57E−04 | 2.00 | Not available | (a) |
162.0528 | 3-Hydroxyadipic acid | HMDB00345 | C6H10O5 | 1.50 | 2.66E−05 | 3.40 | Fatty acid metabolism [1] | (a) |
172.0736 | 2-Octenedioic acid | HMDB00341 | C8H12O4 | 6.46 | 1.52E−04 | 7.20 | Fatty acid metabolism [1] | (a, b) |
174.1546 | N-Acetylasparagine | HMDB06028 | C6H10N2O4 | 3.61 | 7.33E−06 | 2.27 | Asparagine catabolism [1] | (a) |
187.1685 | N-Acetylspermidine | HMDB01276 | C9H21N3O | 11.90 | 9.18E−05 | 1.72 | (a, b) | |
188.0797 | N-Acetylglutamine | HMDB06029 | C7H12N2O4 | 3.59 | 2.30E−04 | 3.33 | Not available | (a) |
188.1525 | Trimethyl-l-lysine | HMDB01325 | C9H20N2O2 | 7.41 | 9.44E−07 | 2.60 | Carnitine biosynthesis [1] | (a) |
195.0532 | 3-Hydroxyhippuric acid | HMDB06116 | C9H9NO4 | 4.05 | 2.05E−03 | -3.00 | Fatty acid metabolism [1] | (a) |
208.0955 | Unknown | – | – | 6.80 | 1.46E−03 | 4.44 | – | |
209.0434 | Unknown | – | – | 1.41 | 3.80E−07 | 2.18 | – | |
210.0528 | Vanilpyruvic acid | HMDB11714 | C10H10O5 | 1.46 | 1.56E−03 | 4.36 | Vanilactic acid biosynthesis [1] | (a) |
212.0794 | Unknown | – | – | 3.88 | 1.43E−05 | 3.36 | – | – |
217.1063 | Alanyl-glutamine | HMDB28685 | C8H15N3O4 | 6.87 | 2.45E−05 | 5.45 | Protein catabolism [1] | (a) |
244.0694 | Uridine | HMDB00296 | C9H12N2O6 | 1.64 | 6.83E−07 | 1.63 | (a, c) | |
252.1222 | Prolyl-Histidine | HMDB29019 | C11H16N4O3 | 2.93 | 8.29E−05 | 5.86 | Protein catabolism [1] | (a) |
268.0808 | Inosine | HMDB00195 | C10H12N4O5 | 1.42 | 2.17E−06 | 2.62 | (a, c) | |
281.1124 | 1-Methyladenosine | HMDB03331 | C11H15N5O4 | 5.68 | 8.07E−05 | 1.51 | Not available | (a) |
282.0961 | 1-Methylinosine | HMDB02721 | C11H14N4O5 | 1.78 | 1.26E−03 | 2.15 | Not available | (a) |
285.0961 | N4-Acetylcytidine | HMDB05923 | C11H15N3O6 | 1.56 | 5.76E−05 | 3.37 | Degradation of transfer ribonucleic acid (tRNA) [1] | (a) |