Ricardo Vessecchi

Revisiting the Fragmentation of Ketoconazole by Positive Electrospray Ionization Tandem Mass Spectrometry and Density Functional Theory Calculations

ABSTRACT Rationale Ketoconazole (KCZ) is a clinically essential antifungal and potent CYP3A4 inhibitor. Its gas‐phase fragmentation under positive electrospray ionization tandem mass spectrometry (ESI‐MS/MS) remains poorly characterized, undermining metabolite profiling and struc...