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利用 UHPLC-Q-TOF-MS 对白芍的质谱碎片裂解规律及化学成分进行快速鉴定。

Cleavage rules of mass spectrometry fragments and rapid identification of chemical components of Radix Paeoniae Alba using UHPLC-Q-TOF-MS.

机构信息

School of Traditional Chinese Materia Medica, Tianjin University of Traditional Chinese Medicine, Tianjin, China.

Department of Kidney Disease and Blood Purification, The Second Hospital of Tianjin Medical University, Tianjin, China.

出版信息

Phytochem Anal. 2021 Sep;32(5):836-849. doi: 10.1002/pca.3029. Epub 2021 Jan 27.

DOI:10.1002/pca.3029
PMID:33503685
Abstract

INTRODUCTION

Radix Paeoniae Alba (RPA) presents several pharmacological effects, including analgesia, liver protection, and toxicity reduction. RPA consists mostly of monoterpenes and their glycosides, tannins, flavonoids, and organic acids, with monoterpenes being the main active pharmaceutical ingredients.

OBJECTIVE

To establish an effective method for rapid classification and identification of the main monoterpenes, flavonoids, and organic acids in RPA.

METHODS

We used ultrahigh-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS) and data post-processing technology to rapidly classify and identify the monoterpenoids, flavonoids, and organic acids in RPA. We also summarised the diagnostic product ions and neutral losses of monoterpenoids, flavonoids, and organic acids in RPA reported in the literature.

RESULTS

We identified 24 components, namely 18 monoterpenoids, one flavonoid, and five organic acids.

CONCLUSION

In this study, we analysed the chemically active pharmaceutical ingredients and assessed the quality of RPA. In addition, we demonstrated that UHPLC-Q-TOF-MS can be used to qualitatively classify and identify the variety of chemical components of traditional Chinese medicines (TCMs) to a certain extent. Moreover, we confirmed that mass spectrometry can be used to identify the components of TCMs.

摘要

简介

白芍具有多种药理作用,包括镇痛、护肝和减毒。白芍主要由单萜及其糖苷、单宁、类黄酮和有机酸组成,其中单萜是主要的活性药物成分。

目的

建立一种快速分类鉴定白芍中主要单萜、黄酮和有机酸的方法。

方法

采用超高效液相色谱四极杆飞行时间质谱(UHPLC-Q-TOF-MS)和数据后处理技术,快速分类鉴定白芍中单萜、黄酮和有机酸。同时,总结了文献报道的白芍中单萜、黄酮和有机酸的特征诊断产物离子和中性丢失。

结果

共鉴定出 24 个成分,分别为 18 种单萜、1 种黄酮和 5 种有机酸。

结论

本研究分析了白芍的化学活性药物成分,评估了白芍的质量。此外,研究表明 UHPLC-Q-TOF-MS 可在一定程度上用于定性分类鉴定中药的多种化学成分。同时,本研究还证实了质谱可用于鉴定中药的成分。

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