基于UPLC-Q-TOF/MS鉴定健脾益肠散大鼠体内外源物成分

目的 基于UPLC-Q-TOF/MS技术研究健脾益肠散在正常大鼠体内的原型成分和代谢产物，归纳总结不同类型化合物的体内代谢规律。方法 采用Agilent ZORBAX Eclipse Plus C₁₈(100 mm×2.1 mm,1.8μm)色谱柱，流动相为甲醇(A)-0.1%甲酸水(B)，梯度洗脱，体积流量0.4 mL/min，柱温30℃，电喷雾离子源(ESI)，在正、负离子模式下对色谱流出物进行质谱检测。结果 从大鼠血浆、尿液、粪便中鉴定出34个原型成分、79个代谢成分，主要代谢途径包括氧化、还原、甲基化、葡糖醛酸结合、硫酸结合等。结论 对健脾益肠散在大鼠体内的外源物成分进行快速有效的定性，为揭示其功效成分的作用机制提供物质基础。

Identification of xenobiotics of Jianpi Yichang Powder in rats based on UPLC-Q-TOF/MS

Objective To study the prototypes and their metabolites of Jianpi Yichang Powder (健脾益肠散) in normal rats by UPLC-Q-TOF/MS, and summarize the metabolic rules of different types of compounds in vivo. Methods The separation was performed on Agilent ZORBAX Eclipse Plus C₁₈ column (100 mm × 2.1 mm, 1.8 μm) with methyl alcohol (A) and 0.1% formic acid water (B) as the mobile phase by gradient elution, and the flow rate was 0.4 mL/min, the column temperature was 30 °C. The electro-spray ionization (ESI) was applied for the qualitative analysis of chromatographic effluents under the positive and negative ion modes. Results A total of 34 prototypes and 79 metabolites were identified from rat plasma, urine, and feces. The main metabolic pathways mainly included oxidation, reduction, methylation, glucuronic acid binding, sulfuric acid binding and so on. Conclusion The rapid and effective qualitative identification of the xenobiotics of Jianpi Yichang Powder in rats would provide a material basis for revealing the mechanism of action of its functional components.