SUPERA Park of Innovation and Technology of Ribeirão Preto

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...