Predicted mass, diagnostic ions and assignment of metabolites for compounds 3, 8, and 10
| Compound Identifier | Predicted M + H | Diagnostic Daughter Ions | Notes |
|---|---|---|---|
| 3 | 374.1976 | 175.1; 212.1; | Parent |
| M3-1b | 390.1925 | 373.1888; | Pyridine-N-oxidea |
| M3-2 | 360.1819 | 175.1; 198.1; | Demethylation |
| M3-3b | 390.1925 | 213.1141; 372.1836; | Alternative oxidation on pyrimidinyl substructure |
| M3-4b | 390.1925 | 373.1914; | Pyrimidinyl N-oxidea |
| 8 | 360.1819 | 175.1; 198.1; | Parent |
| M8-1 | 376.1768 | 175.1; 214.1; | Pyridine-N-oxide |
| M8-2 | 346.1663 | 175.1; 184.1; | Demethylation |
| M8-3 | 376.1768 | 198.1; | Alternative oxidation on pyrimidinyl substructure |
| 10b | 374.1976 | 175.1008; 197.0862; | Parent |
| M10-1b | 390.1925 | 175.0974 228.1016; 373.1907; | Pyridine-N-oxidea |
| M10-2b | 360.1819 | 175.1021; 184.0792; | Demethylation |
| M10-3b | 390.1925 | 174.0863; 213.1113; 372.1768; | Alternative oxidation on pyrimidinyl substructure |
| M10-4b | 390.1925 | 175.0955; 228.1010; 373.1862; | Pyrimidinyl N-oxidea |
| M10-5b | 390.1925 | 212.1076; 372.1859; | Alternative oxidation on pyrimidinyl substructure |