MS data (m/z) for T138067 and T138068 metabolites and their sources of origin
| Compound | Calculated Mass | Determined Mass | HepG2 Cells | Mouse Urine | Mouse Bile |
|---|---|---|---|---|---|
| T138067 | 371.01 | 3711-a | |||
| Metabolite I | 658.08 | 659.1 | √ | √ | |
| Metabolite II | 529.04 | 530.2 | √ | ||
| Metabolite III | 472.02 | 473.2 | √ | √ | |
| Metabolite IV | 514.03 | 515.2 | √ | ||
| Metabolite V | 384.99 | 3861-b | √ | ||
| T138068 | 353.01 | 3531-a | |||
| Metabolite I | 640.09 | 641.2 | √ | ||
| Metabolite II | 511.05 | 512.0 | √ | ||
| Metabolite III | 454.03 | 455.3 | √ |
Mass data for the parent compounds T138067 and T138068 were obtained by electron impact/MS using a gas chromatograph as the inlet source for the ionization chamber. Metabolite V was analyzed by chemical ionization/MS (ionization gas methane). All other MS data were obtained by ES/MS (positive ion spray mode). The samples were introduced into the ion source by flow injection after HPLC purification. √ indicates the presence of the metabolites in the various samples.