TABLE 1.
Variable identification | Observed m/z [M+H]+ | Retention time | Empirical formula | Mass error | Putative identification |
min | ppm | ||||
I | 105.034 | 2.2 | C7H5O | 0 | Hippuric acid fragment |
II | 202.049 | 2.2 | C9H9NO3Na | 7 | Hippuric acid [Na+] adduct |
III | 180.066 | 2.2 | C9H10NO3 | 2 | Hippuric acid |
IV | 330.117 | 0.3 | C14H20NO8 | 4 | Dopamine glucuronide |
V | 228.065 | 3.9 | C11H11NO3Na | 8 | Cinnamoylglycine |
[Na+] adduct |
CTRL, control; WB, white button.