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The rapid identification of chemical constituents in Fufang Xiling Jiedu capsule, a modern Chinese medicine, by ultra‐performance liquid chromatography coupled with quadrupole‐time‐of‐flight tandem mass spectrometry and data mining strategy
Journal of Separation Science ( IF 3.1 ) Pub Date : 2021-02-12 , DOI: 10.1002/jssc.202001093
Gui-Yun Cao 1, 2 , Shao-Xuan Geng 1, 2 , Yi Luo 1, 2 , Shuo Tian 1, 2 , Bo Ning 1, 2 , Xue-Song Zhuang 1, 2 , Zhao-Qing Meng 1, 2
Affiliation  

Fufang Xiling Jiedu capsule is an effective Chinese medicine widely used for the treatment of cold and influenza. However, its chemical constituents had not been determined, which entailed a huge obstacle to further pharmacological studies, clinical‐safe medication administration, and quality evaluation. To identify the chemical constituents in Fufang Xiling Jiedu capsule, an efficient and systematic approach using ultra‐high‐performance liquid chromatography coupled with a quadrupole time‐of‐flight mass spectrometry in conjunction with a data mining strategy was adopted in this study. As a result, 145 compounds were qualitatively identified, including 26 phenolic acids, 46 flavonoids, 39 triterpenes, and 34 other compounds, among which 6 were potentially new and 144 were being reported from Fufang Xiling Jiedu capsule for the first time. This research not only provides useful information for quality control of Fufang Xiling Jiedu capsule and its involved single herbs but also serve as basis data for further study of Fufang Xiling Jiedu capsule in vivo. Moreover, it provides a reference for the characterization of the chemical constituents of other Chinese medicine preparations.

中文翻译:

超高效液相色谱-四极杆飞行时间串联质谱法和数据挖掘策略快速鉴定现代中药复方西灵解毒胶囊化学成分

复方西灵解毒胶囊是一种广泛用于治疗感冒和流感的有效中药。然而,其化学成分尚未确定,这给进一步的药理研究、临床安全用药和质量评估带来了巨大障碍。为了鉴定复方西灵解毒胶囊中的化学成分,本研究采用了一种高效、系统的方法,使用超高效液相色谱与四极杆飞行时间质谱联用,并结合数据挖掘策略。结果定性鉴定出145种化合物,其中酚酸26种,黄酮类46种,三萜类39种,其他化合物34种,其中潜在新化合物6种,复方西灵解毒胶囊首次报道144种。本研究不仅为复方西灵解毒胶囊及其单药的质量控制提供了有用的信息,而且为复方西灵解毒胶囊在体内进一步研究提供了基础数据。为其他中药制剂的化学成分表征提供参考。
更新日期:2021-02-12
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