基于UPLC-Q-TOF/MS的大鼠体内茵芋苷代谢特征分析

目的：应用超高效液相色谱-四级杆串联飞行时间质谱法（UPLC-Q-TOF/MS）鉴定并分析大鼠茵芋苷给药后的代谢途径及其在胆汁、血浆、尿液、粪便中的代谢产物。方法：通过UPLC-Q-TOF/MS分析大鼠给药前、灌胃和静脉注射给药后得到的不同时间段的生物样品，并在电喷雾正负离子模式下获取生物样品的质谱数据；使用MassLynx V4.1软件处理UPLC-Q-TOF/MS数据；鉴定茵芋苷在胆汁、血浆、尿液、粪便中的代谢产物。结果：在大鼠的血浆、胆汁、尿液、粪便样品中除原型外共鉴定得到10种代谢产物，其中有8种代谢产物均通过肾脏途径代谢。结论：水解、葡萄糖苷酸结合、氧化、羟基化等是茵芋苷在体内代谢的主要途径；根据尿液中广泛代谢的结果，应重视茵芋苷经肾途径代谢的临床用药指导。

Metabolic characteristics of skimmin in rats by UPLC-Q-TOF/MS

Objective: To identify and analyze the metabolic pathways of skimmin and its metabolites in bile,plasma, urine and feces of rats after administration of UPLC-Q-TOF/MS. Methods: Biological samples of rats were analyzed by UPLC-Q-TOF/MS before and after administration by intragastric or intravenous administration, and the mass spectrometry data of biological samples were obtained in the electrospray positive and negative ion mode; MassLynx V4.1 software was performed to process UPLC-Q-TOF/MS data; The metabolites of skimmin in bile, plasma, urine, and feces samples were identified. Results: In addition to the prototype, a total of 10 metabolites were identified in rat bile, plasma, urine, and feces samples. Among them, 8 metabolites were metabolized by the renal pathway. Conclusion: Hydrolysis, glucuronide conjugation, desaturation and hydroxylation were considered as the main metabolic pathways of skimmin in vivo. Considering the extensive metabolism in urine, attention should be paid to the clinical medication guidance of skimmin via kidney.