无缝代谢物中鉴定检测方案(液质联用仪)

The detection and identifi cation of metabolites is a critical step in the early drug discovery phase. The identifi cation 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 identifi cation 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 workfl ow is demonstrated by predicting and identifying primary metabolites from rat hepatocyte incubation of warfarin for 24 hours.