Identification of byakangelicin metabolites in rats via the UHPLC-Q-exactive orbitrap mass spectrometer

Byakangelicin is a furanocoumarin derived from the roots of Angelica dahurica. It exhibits pharmacological properties, including anti-tumor activity, as well as against liver injury and fibrosis. In this study, Ultra-High-Performance Liquid Chromatography with Q-Exactive Orbitrap Mass Spectrometry technology was employed to investigate the metabolic profile of byakangelicin in rats. Following intragastric administration the suspension of byakangelicin, plasma and tissue specimens were harvested. According to high-resolution extracted ion chromatograms, the metabolites of byakangelicin were identified by comparing accurate mass, diagnostic fragment ions, and chromatographic retention times. Data collection was performed in positive ion mode to facilitate metabolite characterization of byakangelicin. Overall, 46 metabolites were successfully characterised. The primary metabolic pathways included hydroxylation, dehydroxylation, methylation, demethylation, reduction, glucuronidation, glycination, and cysteinylation. This systematic investigation of the metabolic characteristics and pathways of byakangelicin in rats provides a valuable reference for future pharmacodynamic evaluations, pharmacological research, and drug development.