Seamless metabolite detection

The detection and identification of metabolites is a critical step in the early drug discovery phase. The identification of metabolites from complex biological samples is often challenging, as they may be present at trace levels. This application note describes the seamless integration of a high sensitivity Agilent LC/Q-TOF instrument with software tools (Mass MetaSite software) for the identification of drug metabolites. Mass MetaSite can predict metabolic transformations, estimate the primary site of metabolism, and assign the structures of metabolites from accurate mass MS/MS data. The workflow is demonstrated by predicting and identifying primary metabolites from rat hepatocyte incubation of warfarin for 24 hours.