基于GC-MS和UPLC-Q-TOF-MS的改良型新药健儿清解颗粒的药效物质组成研究  

UPLC-Q-TOF-MS/MS and GC-MS Reveal the Composition of Pharmacodynamic Substances of the Improved New Drug Jian’er Qingjie Granules

作　　者：姚利娟 徐云辉[1] 周靖[1] 石辰风 王日晴 华茉莉[1] YAO Lijuan;XU Yunhui;ZHOU Jing;SHI Chenfeng;WANG Riqing;HUA Moli(National Key Laboratory of Lead Druggability Research,Shanghai Institute of Pharmaceutical Industry Co.,Ltd.,China State Institute of Pharmaceutical Industry,Shanghai 201203,China)

机构地区：[1]中国医药工业研究总院上海医药工业研究院有限公司先导物成药性研究全国重点实验室,上海201203

出　　处：《中国现代中药》2025年第3期498-510,共13页Modern Chinese Medicine

基　　金：上海市2023年度“科技创新行动计划”生物医药科技支撑课题(23S21901300)。

摘　　要：目的:研究中药改良型新药健儿清解颗粒的药效物质组成。方法:采用气相色谱-质谱法(GC-MS)和超高效液相色谱-四极杆串联飞行时间质谱法(UPLC-Q-TOF-MS)分析健儿清解颗粒中挥发油组分和水提液组分的化学成分。GC-MS选用HP-5MS UI色谱柱(30 m×0.25 mm,0.25μm),采用程序升温法、电子轰击电离(EI)源、质量扫描范围为m/z 40~500;UPLC-Q-TOF-MS选用Waters HSS T3色谱柱(150 mm×2.1 mm,1.8μm),采用0.1%甲酸水溶液-乙腈为流动相、梯度洗脱、电喷雾电离源(ESI)、质量扫描范围m/z 50~1 500。结果:健儿清解颗粒中挥发油组分中,共鉴定出66个化学成分,涉及单萜、单萜醇和倍半萜类等;水提液部分共鉴定出98个化学成分,包括苯乙醇苷类、木脂素类、萜类、有机酸类、黄酮及其苷类等。结论:确认了改良型新药健儿清解颗粒的主要药效物质组成,为其质量控制和药效物质基础研究提供参考。Objective:To clarify the composition of pharmacodynamic substances in Jian'er Qingjie Granules,an improved new drug of traditional Chinese medicine.Methods:The volatile oil and aqueous extract of Jian'er Qingjie Granules were analyzed by gas chromatography-mass spectrometry(GC-MS)and ultra-performance liquid chromatography-quadrupole tandem time-of-flight mass spectrometry(UPLC-Q-TOF-MS).GC-MS was performed with a HP-5MS UI column(30 m×0.25 mm,0.25μm),programmed temperature rising,an ion source of electron ionization(EI),and the mass scanning range of m/z 40-500.UPLC-Q-TOF-MS was conducted with a Waters HSS T3 column(150 mm×2.1 mm,1.8μm),a mobile phase of 0.1%formic acid water-acetonitrile,gradient elution,an ion source of electrospray ionization(ESI),and the mass scanning range of m/z 50-1500.Results:A total of 66 chemical components were identified in the volatile oil of Jian'er Qingjie Granules,involving monoterpenes,monoterpene alcohols,and sesquiterpenoids.The aqueous extract contained a total of 98 chemical components,including phenylethanol glycosides,lignans,terpenoids,organic acids,and flavonoids and their glycosides.Conclusion:This study identifies the main pharmacodynamic substance composition of the improved new drug Jian'er Qingxie Granules,laying a foundation for the quality control of this drug and the research on the pharmacodynamic substances.

关 键 词：健儿清解颗粒 化学成分 超高效液相色谱-四极杆串联飞行时间质谱法 气相色谱-质谱法 

分 类 号：R284[医药卫生—中药学]