UPLC-Q-TOF-MS^E技术结合UNIFI数据库快速定性分析补气通络颗粒的化学成分

Rapid qualitative analysis of chemical constituents of Buqi Tongluo Granules by UPLC-Q-TOF-MS^E technology combined with UNIFI database

目的应用超高效液相色谱联用四级杆飞行时间质谱仪(UPLC-Q-TOF-MS^E)结合UNIFI数据平台对补气通络颗粒的化学成分进行快速定性分析。方法应用时间依赖型MSE法采集样品质谱数据,结合自动检出及人工核对方法分析补气通络颗粒的化学成分。结果通过UNIFI数据库自动检测结果、搜索在线和离线数据库以及人工核对相关文献,鉴定黄酮类、皂苷类、萜类、酯类、氨基酸和酚酸类共72种化合物。其中,7种来自红芪,14种来自三七,24种来自泽泻,9种来自当归,2种来自川芎,6种来自蝉蜕,6种来自郁金,4种来自桂枝。结论本方法可快速定性分析补气通络颗粒的多种化学成分,为补气通络颗粒的质量控制、药效物质基础解析、作用机制阐明和组分配伍中药的开发提供参考。

Objective To rapidly and qualitatively analyze the chemical constituents of Buqi Tongluo Granules by using ultra-performance liquid chromatography quadrupole time-of-flight mass spectrometry(UPLC-Q-TOF-MS^E)combining UNIFI data platform.Methods The mass spectrometry data were collected by time-dependent MS^E acquisition mode.The chemical constituents of Buqi Tongluo Granules were analyzed by automatic detection and artificial checking.Results Through automated test by UNIFI database,searching online and offline databases and manually checking related literature,72 compounds were identified including flavonoids,saponins,terpenoids,esters,amino acids and phenolic acids.Among them,7 compounds from Radix hedysari,14 compounds from Panax notoginseng,24 compounds from Alisma orientalis,9 compounds from Angelica sinensis,2 compounds from Chuanxiong,6 compounds from Cicada moult,6 compounds from Radix curcumae and 4 compounds from Cinnamon twig.Conclusion This method can quickly and qualitatively analyze the chemical constituents of Buqi Tongluo Granules,meanwile,the reaserch can also provide reference for the quality control of Buqi Tongluo Granules,the analysis of pharmacodynamic substances,the elucidation of action mechanism and the development component compatibility of Chinese herbal medicine.