Q Exactive四极杆-静电场轨道阱高分辨质谱系统对丹皮酚经大鼠肝微粒体体外代谢产物的分析

Mass Spectrometric Technology of Q Exactive for Analysis of Metabolites of Paeonol in Rat Liver Microsomes

以丹皮酚和2,4-二羟基苯乙酮为研究对象,采用Q Exactive四极杆-静电场轨道阱高分辨质谱系统,及内置有Ⅰ相和Ⅱ相代谢途径分析的MetWorks代谢物鉴定软件,系统分析丹皮酚经肝微粒体代谢的Ⅰ相代谢及其Ⅰ相代谢产物2,4-二羟基苯乙酮经微粒体代谢的Ⅱ相代谢产物。结果表明,丹皮酚在大鼠肝微粒体中经Ⅰ相代谢后产物主要为4位去甲基化的2,4-二羟基苯乙酮和1位相邻羰基的脱甲基化的2-羟基-4-甲氧基苯甲醛以及5位的羟基化代谢产物2,5-二羟基-4-甲氧基苯乙酮,而2,4-二羟基苯乙酮的Ⅱ相代谢产物主要为4位葡萄糖醛酸化的糖苷化代谢产物2-羟基-4'-O-葡萄糖醛酸苯乙酮。

Paeonol and resacetophenone in rat liver microsomes were analyzed by mass technology of Q exac- tire and the chemical structures of metabolites of paeonol and resacetophenone were analyzed in vitro by using the metabolites software of MetWorks with build-in metabolic pathways of phase Ⅰ and phase Ⅱ. The results suggested that 2＇ ,4＇-dihydroxyaeetophenone was 4＇-0-demethylation metabolites of paeonol. Other metabolites such as 2＇-hydroxy-4＇-methoxybenzaldehyde and 2＇, 5 ＇-dihydroxy-4＇-methoxyacetophenone were determined in reaction. It was also found that 2-hydroxy-O-4＇-monoglucuronideacetophenone was the principal metabolites of resacetophenone in phase Ⅰ.