UPLC-Q-TOF/MS技术结合UNIFI数据库快速分析止痛化癥胶囊的化学成分
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篇名: UPLC-Q-TOF/MS技术结合UNIFI数据库快速分析止痛化癥胶囊的化学成分
TITLE:
摘要: 目的:对止痛化癥胶囊(简称“ZTHZC”)中的化学成分进行快速鉴定,为进一步阐明其药效物质基础和全面质量控制提供参考。方法:采用超高效液相色谱与飞行时间质谱联用(UPLC-Q-TOF/MS)技术对ZTHZC中化学成分进行分离。通过查阅ZTHZC化学成分及其单味中草药的化学成分相关的文献报道,将化学成分的化学结构保存成.mol格式的文件,补充完善UNIFI数据库。通过UNIFI数据库筛查,对ZTHZC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:共鉴定出了70个化学成分,包括 38个有机酸及有机酸酯类、8个生物碱类、9个黄酮类、5个三萜皂苷类、5个醛类、2个酮类、1个醌类、1个聚炔类和1个单萜类化合物。结论:建立的方法能快速检测、鉴定ZTHZC的化学成分,本研究结果为其质量控制、药效物质基础的阐明提供了科学依据。
ABSTRACT: OBJECTIVE: To rapidly identify chemical components of Zhitong huazheng capsules (shorted for “ZTHZC”), and to provide reference for further elucidating the pharmacodynamic material basis and overall quality control. METHODS: UPLC-Q-TOF/MS method was adopted to separate the chemical components of ZTHZC. By reviewing literatures that related to chemical components of ZTHZC and its single Chinese traditional medicinal crops, the chemical structure of the chemical components was saved into a .mol format file, and supplemented the UNIFI database. The chemical constituents of ZTHZC 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, combined reference information and literature reports. RESULTS: A total of 70 chemical components were identified in this experiment, including 38 organic acids and organic acid esters, 8 alkaloids, 9 flavonoids, 5 triterpenoid saponins, 5 aldehydes, 2 ketones, 1 quinone, 1 polyacetylene and 1 monoterpenoid. CONCLUSIONS: This study provides a rapid detection and identification method for chemical components of ZTHZC, and also provides a scientific basis for the clarification of ZTHZC’s quality control and pharmacodynamics.
期刊: 2019年第30卷第17期
作者: 吴福林,王翠竹,董庆海,王涵,谭静,林红强,刘金平,李平亚
AUTHORS: WU Fulin,WANG Cuizhu,DONG Qinghai,WANG Han,TAN Jing,LIN Hongqiang,LIU Jinping,LI Pingya
关键字: 止痛化癥胶囊;化学成分;UNIFI数据库;超高效液相色谱与飞行时间质谱联用技术
KEYWORDS: Zhitong huazheng capsules; Chemical components; UNIFI database; UPLC-Q-TOF/MS
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