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基于超高效液相色谱- Q Exactive 轨道阱质谱联用技术对经典方剂羌活胜湿汤标准汤剂的化学分析

[Chemical analysis of classical prescription Qianghuo Shengshi Standard Decoction by UHPLC-Q Exactive Orbitrap MS].

作者信息

Cai Xin-Fu, Xu Ya, Liu He-Ping, Shang Qiang, Qiu Jia-Qi, Xu Wen

机构信息

Sichuan Guangda Pharmaceutical Co., Ltd. Pengzhou 611930, China.

the Second Clinical College of Guangzhou University of Chinese Medicine Guangzhou 510405, China.

出版信息

Zhongguo Zhong Yao Za Zhi. 2022 Jan;47(2):343-357. doi: 10.19540/j.cnki.cjcmm.20210312.301.

Abstract

A UHPLC-Q Exactive Orbitrap MS method was used to analyze the chemical constituents of the classical prescription Qianghuo Shengshi Standard Decoction(QHSS). UHPL conditions were as follows: Waters(TM) UPLC(TM) HSS T3 C_(18) column(2.1 mm×100 mm, 1.7 μm) and mobile phase of acetonitrile-0.1% formic acid aqueous solution. Mass spectrometry data of QHSS, each herb extract, and negative sample were collected in both positive and negative ion modes. The chemical constituents of QHSS were identified or tentatively identified based on the accurate molecular weight, retention time, MS fragmentation, comparison with reference substances, and literature reports. A total of 141 compounds were identified, including 18 amino acids, oligosaccharides, oligopeptides, and their derivatives, 19 phenolic acids, 44 coumarins, 18 flavonoids and chromones, 13 saponins, 17 phthalides, and 12 other components. This study comprehensively characterized the chemical constituents of QHSS, laying an experimental basis for the in-depth research on the material basis and quality control of QHSS.

摘要

采用超高效液相色谱-四极杆-轨道阱质谱联用(UHPLC-Q Exactive Orbitrap MS)方法分析经典方剂羌活胜湿汤(QHSS)的化学成分。超高效液相色谱条件如下:沃特世(Waters™)超高效液相色谱(UPLC™)HSS T3 C₁₈色谱柱(2.1 mm×100 mm,1.7 μm),流动相为乙腈-0.1%甲酸水溶液。在正离子和负离子模式下收集QHSS、各药材提取物及阴性样品的质谱数据。基于精确分子量、保留时间、质谱碎片、与对照品比较及文献报道对QHSS的化学成分进行鉴定或初步鉴定。共鉴定出141种化合物,包括18种氨基酸、寡糖、寡肽及其衍生物、19种酚酸、44种香豆素、18种黄酮类和色酮类、13种皂苷、17种苯酞类及12种其他成分。本研究全面表征了QHSS的化学成分,为深入研究QHSS的物质基础和质量控制奠定了实验基础。

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