TABLE 4.
Metabolites | Retention time | m/z | Quasi-molecular ion | Formula | Fold changea | P-valueb | VIPc | Pathway |
L-Cystathionine | 0.560483333 | 223.0760692 | M + H, M + Na | C7H14N2O4S | 0.67 | 0.002 | 2.15 | Glycine, serine, and threonine metabolism |
L-Threonine | 0.574766667 | 120.0655604 | M + H | C4H9NO3 | 0.83 | 0.011 | 1.27 | |
L-Cystine | 0.560483333 | 241.0323026 | M + H | C6H12N2O4S2 | 0.75 | 0.015 | 1.69 | |
L-Glutamate 5-semialdehyde | 0.574766667 | 154.048303 | M + Na | C5H9NO3 | 0.61 | 0.009 | 2.31 | Arginine and proline metabolism |
Gamma-aminobutyric acid | 0.574766667 | 86.06001831 | M + H-H2O, M + H | C4H9NO2 | 0.72 | 0.002 | 1.90 | Alanine, aspartate, and glutamate metabolism |
L-Valine | 3.441466667 | 100.075989 | M + H-H2O | C5H11NO2 | 0.75 | 0.043 | 1.96 | Valine, leucine, and isoleucine degradation |
Gamma-L-glutamyl-L-cysteine | 0.5462 | 289.024166 | M + K | C8H14N2O5S | 0.60 | 0.011 | 2.48 | Glutathione metabolism |
Thiourocanic acid | 1.535566667 | 208.9778765 | M + K | C6H6N2O2S | 1.79 | 0.043 | 2.30 | Histidine metabolism |
N6-acetyl-L-lysine | 0.631916667 | 189.1251847 | M + H | C8H16N2O3 | 1.28 | 0.023 | 1.58 | Lysine degradation |
Piperideine | 0.482616667 | 84.08092021 | M + H | C5H9N | 1.66 | 0.009 | 2.23 | |
Homomethionine | 0.576166667 | 198.0370165 | M + Cl | C6H13NO2S | 0.52 | 0.005 | 2.17 | Glucosinolate biosynthesis |
Glycogen | 0.619033333 | 701.1910202 | M + Cl | C24H42O21 | 0.61 | 0.043 | 1.70 | Glucagon signaling pathway |
7-Dehydrocholesterol | 10.14997 | 367.3376 | M + H-H2O | C27H44O | 0.64 | 0.023 | 2.04 | Steroid biosynthesis |
4Alpha-methylzymosterol-4-carboxylate | 10.14997 | 425.3443 | M + H-H2O | C29H46O3 | 0.70 | 0.035 | 1.75 | |
Lanosterol | 10.29927 | 444.4204 | M + NH4 | C30H50O | 1.13 | 0.043 | 1.01 | |
(25R)-3-oxocholest-4-en-26-oate | 8.741267 | 397.3108 | M + H-H2O | C27H42O3 | 0.64 | 0.035 | 1.57 | Steroid degradation |
Allotetrahydrodeoxy corticosterone | 9.182733 | 373.2154 | M + K | C21H34O3 | 1.21 | 0.029 | 1.34 | Steroid hormone biosynthesis |
7Alpha-hydroxy-3-oxo-4-cholestenoate | 8.158333 | 431.3167 | M + H | C27H42O4 | 0.56 | 0.043 | 2.99 | Primary bile acid biosynthesis |
3Alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al | 7.2404 | 457.3272 | M + Na | C27H46O4 | 0.79 | 0.043 | 1.19 | |
2-Polyprenyl-6-methoxyphenol | 9.587783 | 299.1411 | M + K | C12H16O2.[C5H8]n | 0.76 | 0.029 | 1.49 | Ubiquinone and other terpenoid-quinone biosynthesis |
Alpha-tocopherol | 10.14997 | 448.4177 | M + NH4 | C29H50O2 | 0.45 | 0.023 | 3.26 | |
Pyridoxamine | 0.4969 | 191.0781 | M + Na | C8H12N2O2 | 1.51 | 0.015 | 1.91 | Vitamin B6 metabolism |
6-Deoxyerythronolide B | 4.238683 | 425.2278 | M + K | C21H38O6 | 12.5 | 0.043 | 3.14 | Biosynthesis of 12-, 14-, and 16-membered Macrolides |
10-Deoxymethynolide | 5.888833 | 314.2346 | M + NH4 | C17H28O4 | 4.82 | 0.009 | 2.92 | |
Narbomycin | 10.96792 | 510.3421 | M + H | C28H47NO7 | 1.23 | 0.009 | 1.27 | |
N1-acetyl-tabtoxinine-beta-lactam | 0.574767 | 248.1248 | M + NH4 | C9H14N2O5 | 3.06 | 0.029 | 2.57 | Monobactam biosynthesis |
(S)-4-hydroxymandelate | 0.939767 | 203.0131 | M + Cl | C8H8O4 | 2.13 | 0.009 | 1.81 | |
N-acetylbialaphos | 9.182733 | 383.1681 | M + NH4 | C13H24N3O7P | 1.58 | 0.029 | 2.07 | Biosynthesis of antibiotics |
Actinamine | 0.90195 | 189.1252 | M + H-H2O | C8H18N2O4 | 1.24 | 0.043 | 1.63 | |
Traumatic acid | 3.975083 | 246.1716 | M + NH4 | C12H20O4 | 3.43 | 0.007 | 2.77 | Biosynthesis of secondary metabolites |
Glucoselysine-6-phosphate | 7.716867 | 427.0872 | M + K | C12H25N2O10P | 0.83 | 0.023 | 1.43 | Phosphotransferase system |
aFold change in the S. Pullorum challenged control compared with the unchallenged. bVIP (variable importance in the projection) values were obtained from PLS-DA models. cP-values were calculated from Kruskal–Wallis test.