UPLC-Q-TOF/MS技术结合UNIFI数据库快速分析经典名方温经汤标准汤剂的化学成分  

Rapid analysis of chemical components of Wenjing Decoction Standard Decoction based on UPLC-Q-TOF/MS technology combined with UNIFI database

作　　者：王永春 董金香[1] 李军鸽 孟珈同 王振洲 唐秋竹 WANG Yongchun;DONG Jinxiang;LI Junge;MENG Jiatong;WANG Zhenzhou;TANG Qiuzhu(School of Pharmaceutical Sciences Changchun University of Chinese Medicine,Changchun 130117,China)

机构地区：[1]长春中医药大学药学院,吉林长春130117

出　　处：《沈阳药科大学学报》2022年第6期639-652,共14页Journal of Shenyang Pharmaceutical University

摘　　要：目的采用UPLC-Q-TOF/MS技术结合UNIFI天然产物信息平台对温经汤标准汤剂中的化学成分进行快速定性分析。方法采用ACQUITY UPLC BEH C_(13)色谱柱(100 mm×2.1 mm,1.7μm),以体积分数0.1%甲酸水溶液(A)-体积分数0.1%甲酸乙腈溶液(B)为流动相体系进行梯度洗脱,柱温30℃,流速0.4 mL·min^(-1),进样体积10μL^(-1)采用Xevo G2-XS Q-TOF四极杆飞行时间质谱仪,电喷雾(ESI)离子源,正、负离子监测模式,利用UNIFI分析软件对温经汤中化学成分进行定性分析,依据其精确分子质量、特征离子、中性丢失、二级质谱裂解规律、色谱保留行为以及结合对照品信息和文献报道等对其进行验证。结果最终鉴定出了126个化合物,包括16个单萜苷类、32个三萜类、23个黄酮类、9个内酯类、8个倍半萜类、7个有机酸类、6个甾酮类、4个多糖类以及21个其他类化合物。结论UPLC-Q-TOF/MS技术与UNIFI数据库相结合可以对温经汤标准汤剂进行快速、全面、系统的定性分析,以期为进一步阐明其药效物质基准和提升质量评价体系提供参考依据。Objective To rapidly identify the chemical constituents of Wenjing Decoction Standard Decoction by UPLC-Q-TOF/MS and UNIFI informatics platform.Methods The separation was performed on ACQUITY UPLC BEH C_(13)(100 mm×2.1 mm,1.7μm)column with gradient elution.The mobile phase was composed of eluent A(0.1%formic acid in water,V/V)and eluent B(0.1%formic acid in acetonitrile,V/V).The column temperature was 30℃,the flow rate was 0.4 mL·min^(-1),the injection volume was 10μL,The chemical constituents of Wenjing Decoction Standard Decoction were qualitatively analyzed by UNIFI database screening,and validated according to their precise molecular mass,characteristic ions,neutral loss,secondary mass spectrometry cleavage,chromatographic retention behavior,and combined with the analysis of reference information and literature reports.Results A total of 126 chemical compounds in Wenjing Decoction Standard Decoction were identified,including 16 monoterpene glycosides,32 triterpenes,23 flavonoids,9 lactones,8 sesquiterpenoids,7 organic acids,6 phytoecdysterones,4 polysaccharides,and 21 other compounds.Conclusion UPLC-Q-TOF/MS combined with UNIFI database could be used to rapidly and comprehensively characterize the chemical constituents of Wenjing Decoction Standard Decoction.This study provides a reference for quality control of Wenjing Decoction Standard Decoction and clarifying the material basis of its efficacy.

关 键 词：温经汤 经典名方 化学成分 UNIFI数据库 超高效液相色谱与四极杆飞行时间质谱联用技术 

分 类 号：R917[医药卫生—药物分析学]