东莨菪碱及其大鼠体内代谢物的电喷雾串联质谱研究

Scopolamine and Its Metabolites in Rats by Electrospray Ionization Tandem Mass Spectrometry

用液相色谱-电喷雾串联质谱(LC-ESI-MSn)法检测东莨菪碱及其大鼠粪样中的代谢物。收集灌胃50mg.kg-1东莨菪碱的大鼠粪样,水浸泡后,用乙酸乙酯萃取,采用LC-MS及LC-MSn等方法检测原药及其代谢物。与空白粪样及东莨菪碱比较,根据代谢物分子量的变化(ΔM)及其多级质谱数据,鉴定并阐述其结构。在服药后的大鼠粪样中发现8种代谢物,分别为莨菪品、N-去甲基莨菪品、N-去甲基脱水东莨菪碱、脱水东莨菪碱、N-去甲基东莨菪碱、羟基东莨菪碱、N-氧化羟基东莨菪碱以及托品酸等。这些代谢物的鉴定可用于该药物体内代谢途径的研究。

A method was described for identification of scopolamine and its metabolites in rat feces by liquid chromatography and electrospray ionization tandem mass spectrometry （LC- ESI-MS^n）. The feces samples were collected after single administration of 50 mg·kg^-1 scopolamine to rats, and dipped in water for 1 h. The samples were extracted by ethyl acetate. Identification of the metabolites and their structural eluciution were performed by comparing their changes in molecular masses （AM）, with those of the parent drug and blank feces. retention-times and full scan MSn spectra The results reveal that the parent drug and its eight metabolites （norscopine, scopine, tropic acid, aponorscopolamine, aposcopolamine, norscopolamine, hydroxyscopolamine and hydroxyscopolamine N-oxide） exists in rat feces. The identification of these metabolites is useful for further study of metabolic pathway of the drug in vivo.