UPLC-Q-TOF/MSE结合UNIFI信息学平台快速检测与鉴别九味镇心颗粒中的化学成分  

Rapid detection and identification of compounds in Jiuwei Zhenxin Granules based on UPLC-Q-TOF/MS^E and UNIFI software

作　　者：袁付丽 刘传鑫 王强 姚柯男 宋扬 何涛 王文鑫 黄建梅[1] YUAN Fuli;LIU Chuanxin;WANG Qiang;YAO Kenan;SONG Yang;HE Tao;WANG Wenxin;HUANG Jianmei(School of Traditional Chinese Material Medica,Beijing University of Chinese Medicine,Beijing 100029,China)

机构地区：[1]北京中医药大学中药学院,北京100029

出　　处：《药物评价研究》2020年第10期1997-2008,共12页Drug Evaluation Research

基　　金：国家自然科学基金资助项目(81173541)。

摘　　要：目的建立UPLC-Q-TOF/MSE结合UNIFI用于九味镇心颗粒化学成分的快速检测与鉴别方法。方法采用UPLC-QTOF/MSE技术对九味镇心颗粒中的化合物进行分析,使用Waters Acquity UPLC BEH C18色谱柱(100 mm×2.1 mm,1.7μm),以0.1%甲酸水(A)-0.1%甲酸乙腈(B)洗脱(0~14 min,2%B;14.0~16.5 min,60%B;16.5~20.0 min,98%B),体积流量设为0.3 mL/min,柱温为40℃,进样量5μL。质谱分析采用电喷雾离子源,正、负离子模式下依赖MSE方式采集数据,采集范围为m/z 50~1 200,基于UNIFI在线软件结合MassLynx软件及人工审核进行化学成分鉴定与匹配。结果实现了九味镇心颗粒中89种化学成分的快速鉴别,其中有29个来源于君药(人参、酸枣仁),47个来源于臣药(茯苓、五味子、延胡索、远志),12个来源于佐药(地黄、天冬),1个来源于使药(肉桂)。结论建立的基于UPLC-Q-TOF/MSE结合UNIFI方法首次对九味镇心颗粒的化学成分进行快速的筛选,为发现中药大复方中的非靶向分析和成分鉴定提供了新的视角,也可以为其物质基础、质量控制的研究提供依据。Objective To evaluate a method for rapid detection and identification of compounds in Traditional Chinese Medicine preparation based on UPLC-Q-TOF/MSEand UNIFI software.Method UPLC-Q-TOF/MSEwas used to rapidly analyze chemical constituents of Jiuwei Zhenxin Granules, chromatographic separation was performed on an Waters Acquity UPLC BEH C18(100 mm ×2.1 mm, 1.7 μm) for gradient elution with the mobile phase of 0.1% formic acid solution(A) and 0.1% formate acetonitrile solution(B) for gradient elution(0-14 min, 2%B;14.0-16.5 min, 60%B;16.5-18.0 min, 98%B;18-20 min, 98%B), the flow rate was 0.3 mL/min, the column temperature was 40 ℃, the injection volume was 5 μL.The mass spectrographic analysis was used with electrospray ionization(ESI), sample MS data was acquired by time-dependent MSEin both positive and negative ion mode, the collection range was m/z 50-1 200.Chemical composition identification and matching based on UNIFI online software,Masslynx software and manual verification.Result Tatolly 89 chemical components in Jiuwei Zhenxin Granules was successfully identified,including 29 from principle drug(Ginseng and Semen Zizyphi spinosae), 47 from minister drug(Poria cocos, Chinese Magnoliavine fuit, Corydalis tuber, and Polygala tenuifolia), 12 from assistant drug(Rehmannia root and Asparagi radix), and 1 from envoy drug(Cinnamon).Conclusion The rapid method based on UPLC-Q-TOF/MSEand UNIFI was achieved for screene of chemical components in Jiuwei Zhenxin granules for the first time.The study indicated that it is a practical method for non-targeted analysis and identification of compounds in Traditional Chinese Medicine preparation, and also give evidences for pharmacodynamic material and quality control of Traditional Chinese Medicine preparation.

关 键 词：UPLC-Q-TOF/MSE UNIFI 九味镇心颗粒 定性鉴别 快速分析 

分 类 号：R284.1[医药卫生—中药学]