TABLE 1
Accurate mass measurement and the postulated structures of the ARQ 501 metabolites in whole blood
| Compound | [M + H]+ | ΔM | Calculated | Measured Mass | Difference | Elemental Composition | Structure |
|---|---|---|---|---|---|---|---|
| Da | Da | mDa | |||||
| ARQ 501 | 243 | 243.1021 | 243.1018 | -0.3 | C15H15O3 |
| |
| M1 | 259 | +16 | 259.0970 | 259.0965 | -0.5 | C15H15O4 |
|
| M2 | 277 | +34 | 277.1076 | 277.1080 | 0.4 | C15H17O5 |
|
| M3 | 261 | +18 | 261.1127 | 261.1136 | 0.9 | C15H17O4 |
|
| M4 | 231 | -12 | 231.1021 | 231.1025 | 0.4 | C14H15O3 |
|
| M5 | 215 | -28 | 215.1072 | 215.1080 | 0.8 | C14H15O2 |
|
| M6 | 231 | -12 | 231.1021 | 231.1024 | 0.3 | C14H15O3 |
|