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Identification of Imperatorin and Its Metabolites in Vitro and in Vivo by HPLC-QTrap-MS Technology

??OBJECTIVE To identify the metabolites of imperatorin in rat urine, feces and bile after oral administration as well as the transformation products of imperatorin after incubation with rat liver microsomes with HPLC-QTrap-MS technology. METHODS The combination use of HPLC-QTrap-MS scanning mode including multiple ion monitoring-information dependent acquisition-enhanced product ion (MRM/MIM-IDA-EPI)mode, precursor scan-enhanced resolution-information dependent acquisition-enhanced product ion (PREC-ER-IDA-EPI)mode and enhanced product ion (EPI) mode were performed for the identification of the metabolites. Based on the simultaneous appearance of M+H]⁺ and M+NH₄]⁺ in the spectrum of PREC, the molecular weight could be unambiguously identified. The structures of compounds were then identified by the fragment ions generated from these three modes. RESULTS With the HPLC-QTrap-MS method, 32 metabolites in urine sample, 14 metabolites in faces sample, 6 metabolites in bile sample and 17 transformation products from the rat liver microsomes sample were detected. CONCLUSION Imperatorin is metabolized mainly in liver and excreted through kidney. The metabolic profiles of imperatorin in vivo and in vitro have good correlation.