Table 2.
Chemical formulae, molecular ions, mass accuracies, retention times, and positive biological samples for cyanide adducts of ketoconazole and its metabolites.
| Adducts | Formula | [M+H]+ (m/z) | Error (ppm) | tR (min) | Identified in | References and Comments | |
|---|---|---|---|---|---|---|---|
| Theoretical | Observed | ||||||
| KCZ-CN | C27H27Cl2N5O4 | 556.1513 | 556.1513 | −0.07 | 7.2 | MLM, HLM | [11,28,29] |
| OH-KCZ-CN | C27H27Cl2N5O5 | 572.1462 | 572.1457 | −0.89 | 7.0 | MLM, HLM | [11,28,29] |
| N-deacetyl-KCZ-CN | C25H25Cl2N5O3 | 514.1407 | 514.1416 | +1.71 | 6.5 | MLM, HLM | Novel |
MLM: mouse liver microsomes; HLM: human liver microsomes.