基于UPLC-Q-TOF-MS分析沉香化气丸在大鼠体内的代谢产物

Identification of metabolites of Chenxiang Huaqi pill in rats based on UPLC-Q-TOF-MS

应用UPLC-Q-TOF-MS技术分析沉香化气丸在大鼠体内的代谢产物。采用Phenomenex Kinetex C（18）色谱柱（4.6 mm×100 mm,2.7μm）,以乙睛-0.1%甲酸水溶液为流动相,梯度洗脱,流速0.8 m L·min^-1,采用电喷雾正离子模式下采集数据,对空白大鼠与给药大鼠血浆和尿样的总离子流图,进行提取目标离子分析。结果发现,在血浆及尿液中共检测到24个成分,其中包括5个原型成分和19个代谢产物,主要代谢途径包括水化反应、葡萄糖醛酸化、去甲基化、水解反应、羟基化、硫酸化。该实验建立的方法快速、简单、灵敏,可用于快速鉴定沉香化气丸在大鼠体内的代谢产物,为更好地了解沉香化气丸的体内吸收代谢机制提供参考。

To analyze the metabolites of Chenxiang Huaqi pill in rats by using ultra performance liquid chromatography-quadrupoletime of flight-mass spectrometry（ UPLC-Q-TOF-MS）. The separation was performed on Phenomenex Kinetex C（18） column,with the acetonitrile-0. 1% formic acid as the mobile phase for gradient elution at a flow rate of 0. 8 mL·min-（-1）. The data were collected by the positive ion mode of ESI source. The plasma and urine total ion chromatograms of the rats in blank group and treatment group were used to analyze the targeted ion chromatograms. The results showed that 24 compounds were detected in the plasma and urine,including 5 prototype components and 19 metabolites. The major metabolic pathways included hydration,glucuronidation,demethylation,hydrolysis,hydroxylation and sulfation. The method was rapid,simple and sensitive,and can be used to rapidly identify the metabolites of Chenxiang Huaqi pill that can be absorbed in rats,providing a reference for the study of the absorption and metabolism mechanism of Chenxiang Huaqi pill in vivo.