Table 3.
RT (min) | Catabolites | Chemical Structure | [M-H]− Exp. (m/z) | Δ (ppm) | MSIMI a |
---|---|---|---|---|---|
10.6 | 3-(4-Hydroxyphenyl)propanoic acid | C9H10O3 | 165.0546 | 1.54 | 1 |
7.9 | 3-Phenylacetic acid | C8H8O2 | 135.0440 | 0.84 | 1 |
8.8 | (-)-Epicatechin | C15H14O6 | 289.0706 | 0.14 | 1 |
10.4 | Norathyriol | C13H8O6 | 259.0216 | −2.07 | 2 |
a Metabolite Standards Initiative Metabolite Identification (MSIMI) levels [27]. Reference compounds were available for all compounds identified at MSIMI level 1.