Table 1.
ESI-Mode | Metabolites | Pathway(s) involved | Fold change | p-value | m/z | Retention time | Adduct |
---|---|---|---|---|---|---|---|
Positive | UTP | UDP-N-acetyl-D glucosamine biosynthesis I Anhydromuropeptides recycling | 204.8 | 2.0e-3 | 506.9561 | 4.05 | M + Na[1 +] |
Negative | CDP-glycerol | Teichoic acid (poly-glycerol) biosynthesis | 162.8 | 2.6e-4 | 460.0502 | 3.59 | M-H2O + H[1 +] |
Negative | dTTP | Pyrimidine deoxyribonucleotide phosphorylation | 125.5 | 1.1e-3 | 504.9785 | 3.73 | M + Na[1 +] |
Positive | dGDP | Guanosinedeoxyribonucleotides de novo biosynthesis I | 16.0 | 9.6e-4 | 410.0251 | 5.96 | M-H2O + H[1 + |
Negative | (2S,3S)-2,3-dihydroxy-2,3- dihydrobenzoate | 2,3-dihydroxybenzoate biosynthesis | 15.6 | 5.9e-7 | 140.0233 | 5.28 | M-NH3 + H[1 +] |
Positive | Succinate | 4-aminobutanoate degradation II | 9.7 | 3.9e-4 | 136.0610 | 5.41 | M + NH3 + H[1 |
Positive | CMP | Teichoic acid (poly-glycerol) biosynthesis | 7.6 | 1.1e-4 | 324.0582 | 5.46 | M + H[1 +] |
Negative | Indole | L-tryptophan biosynthesis | 4.2 | 7.1e-4 | 135.0918 | 4.59 | M + NH3 + H[1 + |
Positive | Meso-diaminopimelate | UDP-N-acetylmuramoylpentapeptide biosynthesis I | 3.9 | 1.9e-3 | 175.1069 | 5.29 | M-H2O + H[1 + |
Positive | Histidinal | L-histidine biosynthesis | 3.2 | 7.7e-4 | 82.0391 | 2.01 | M + H + Na[2 +] |
Positive | Uracil | Pyrimidine deoxyribonucleosides degradation | 2.0 | 1.4e-4 | 113.0343 | 1.68 | M + H[1 +] |
Positive | N-acetyl-L-glutamate 5- semialdehyde |
L-arginine biosynthesis II (acetyl cycle) L-ornithine biosynthesis I |
1.7 | 1.9e-3 | 191.1022 | 5.89 | M + NH3 + H[1 |