基于UPLC-Q/TOF-MS的小儿消积止咳口服液化学物质组快速辨识研究

Rapid identification of chemical material basis of Xiao’er Xiaoji Zhike Oral Liquid based on UPLC-Q/TOF-MS

目的基于UPLC-QTOF-MS系统解析小儿消积止咳口服液物质组。方法采用ACQUITY UPLC BEH C18(100 mm×2.1mm,1.7μm)色谱柱,以0.1%甲酸乙腈-0.1%甲酸水溶液进行梯度洗脱,柱温40℃,体积流量0.4 mL/min,进样量5μL;质谱条件为XEVO-G2 QTOF质谱仪,电喷雾离子源,正、负离子模式扫描。结果通过对照品确认、高分辨质谱数据分析及文献检索比对,共鉴别出108个化学成分,包括37个黄酮类、11个生物碱类、13个三萜类、4个木脂素类、2个香豆素类、5个简单苯丙素类、4个苯乙醇苷类、14个有机酸类以及18个包括氨基酸、聚炔类等其他化学成分。结论建立的方法可系统、准确、快速辨识小儿消积止咳口服液中多种化学成分,为后续对口服液质量及药效研究提供物质基础。

Objective To analyze the chemical material basis of Xiao’er Xiaoji Zhike Oral Liquid(小儿消积止咳口服液)by UPLC-Q/TOF-MS.Methods The separation was performed on ACQUITY UPLC BEH C18(100 mm×2.1 mm,1.7μm,Waters US)column with gradient elution of 0.1%formic acid acetonitrile-0.1%formic acid aqueous solution.The column temperature was 40℃,the flow rate was 0.4 mL/min,the injection volume was 5μL,and the mass spectrometry condition was XEVO-G2 Q/TOF mass spectrometer,electrospray ion source,positive and negative mode scanning.Results A total of 108 chemical components were identified by reference substance confirmation,high mass spectrometry data analysis and the comparison of related literature.The chemical material basis was composed of 37 flavonoids,11 alkaloids,13 triterpenes,4 lignanoids,2 coumarins,5 simple phenylpropanoids,4 phenethyl alcohol glycosides,14 organic acids,and 18 other compound including amino acids and polyacetylenes.Conclusion This study can help identify various chemical constituents of Xiao’er Xiaoji Zhike Oral Liquid systematically,accurately and rapidly,which provides the material basis for the follow-up study on the quality and pharmacodynamics of the oral liquid.