基于超高效液相质谱联用和多重质量亏损过滤技术研究儿茶素的体外代谢产物

Identification of metabolites of (+)-catechin in rat liver microsomes based on UPLC-LTQ-Orbitrap and multiple mass defect filter method

目的:采用超高效液相质谱联用和多重质量亏损过滤技术(MMDF)研究儿茶素在大鼠肝微粒体中的代谢产物。方法:体外培育大鼠肝微粒体代谢模型,采用UPLC-LTQ-Orbitrap和MMDF鉴定儿茶素的体外代谢产物。结果:通过高分辨质谱数据,保留时间和碎片离子,在肝微粒体中共鉴定7个新的代谢产物,主要为羟基化和葡萄糖结合物。并首次推测了儿茶素在肝微粒体中的代谢途径。结论:采用UPLC-LTQ-Orbitrap和质量亏损过滤技术快速,准确,灵敏的鉴定了儿茶素在体外的代谢产物研究,丰富了儿茶素的代谢产物种类,为儿茶素的新药研发,提供理论基础。

OBJECTIVE To investigate biotransformation rule of（＋）-catechin in vitro.METHODS An ultra high performance liquid chromatography LTQ-Orbitrap combined with multiple mass defect filter method was applied to profile and identify metabolites of（＋）-catechin in rat liver microsomes for the first time.RESULTS A total of 7 metabolites（7 new）were unambiguously or tentatively identified based on accurate mass measurements,fragmentation patterns and chromatographic retention times.Metabolic pathways of（＋）-catechin in vitro were also proposed for the first time.CONCLUSION Our results are very helpful for better comprehension of metabolism of（＋）-catechin and also can give strong indications on new drug researches of（＋）-catechin.