Table 1.
Metabolite | Formula | Adduct | Theoretical m/za |
Experimental m/z |
Mass Error (ppm) |
---|---|---|---|---|---|
Glutathione | C10H17N3O6S | + H | 308.0911 | 308.0914 | 1 |
Cysteine | C3H7NO2S | + H | 122.0270 | 122.0266 | −3.4 |
Glutamine | C5H10N2O3 | + H | 147.0764 | 147.0765 | 0.4 |
DHEA | C19H28O2 | + H | 289.2162 | 289.2154 | −2.7 |
dUMP | C9H13N2O8P | + H | 309.0482 | 309.0485 | 0.9 |
FA 14:0 | C14H28O2 | − H | 227.2017 | 227.2019 | 1.2 |
FA 14:1 | C14H26O2 | − H | 225.1860 | 225.1856 | −1.6 |
FA 16:0 | C16H32O2 | − H | 255.2330 | 255.2328 | −0.7 |
FA 16:1 | C16H30O2 | − H | 253.2173 | 253.2172 | −0.6 |
FA 18:0 | C18H36O2 | − H | 283.2643 | 283.2643 | 0.1 |
FA 18:1 | C18H34O2 | − H | 281.2486 | 281.2486 | −0.2 |
Values acquired from database entries. m/z, mass-to-charge ratio.