Table 2.
Interpretation of the MS and MS2 results for VUF11211 and its metabolites M1–M8. F1–F5 are characteristic fragments seen in MS2 spectra as depicted in Fig. 7. A–E represent different parts of the structure as depicted in Fig. 7
| m/z | Parent 504.229 |
F1 476.198 |
F2 380.221 |
F3 297.148 |
F4 208.088 |
F5 125.016 |
Proposed interpretation |
|---|---|---|---|---|---|---|---|
| Compound | Δ | Δ | Δ | Δ | Δ | Δ | |
| Parent | = | = | = | Parent compound, VUF11211 | |||
| M1 | +16 | = | = | +O in ABC | |||
| M2 | +16 | = | +O in E | ||||
| M3 | +16 | = | +O in A | ||||
| M4 | +16 | +16 | +O in DE | ||||
| M5 | +16 | = | +O in ABC | ||||
| M6 | −28 | = | = | N-dealkylation of amide (- C2H4 from A) | |||
| M7 | −124 | = | = | N-dealkylation of piperidine, loss of E | |||
| M8 | −207 | = | N-dealkylation of piperazine, loss of DE |