Comprehensive Identification of the Chemical Substances in Effective Component Groups of Polygalae Radix Based on Targeted Tandem Mass Spectrometry Analysis Strategy

Hongping Wang, Chunlan Fan, Ping Peng, Zijian Wang, Zhao-Zhou Lin, Shuwu Zhao
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Abstract

Polygalae Radix is a commonly used traditional Chinese medicine with multiple pharmacological activities. Modern research have revealed that saponins, xanthones, and oligosaccharide esters are its effective component groups. However, up to date the chemical substances in these effective component groups are still unclear, which has become a fundamental scientific issue needing to be addressed. In our study, an analysis strategy based on targeted tandem mass spectrometry (MS/MS) analysis was proposed to comprehensively identify the chemical substances in effective component groups. First, the extract of the Polygalae Radix was detected by ultra‐performance liquid chromatography coupled with electrospray ionization–orbitrap mass spectrometry in a full MS scan mode to minimize the losses of signals; second, the precursor ions of all compounds were extracted from the obtained full MS scan data using Compound Discoverer software; third, the interested precursor ions were locked based on their molecular features and constructed in a precursor ion list; finally, each precursor ion in the list was subjected to targeted MS/MS analysis for structure characterization. Using our analysis strategy, a total of 565 components were successfully identified.
基于靶向串联质谱分析策略的远志有效成分组化学物质的综合鉴定
远志是一种常用的传统中药,具有多种药理活性。现代研究发现,皂苷、黄酮和寡糖酯是其有效成分群。然而,迄今为止,这些有效成分群中的化学物质仍不明确,这已成为一个亟待解决的基本科学问题。本研究提出了一种基于靶向串联质谱(MS/MS)分析的分析策略,以全面鉴定有效成分组中的化学物质。首先,采用超高效液相色谱-电喷雾离子化-轨道质谱法对远志提取物进行全质谱扫描检测,以减少信号的损失;其次,使用 Compound Discoverer 软件从获得的全质谱扫描数据中提取所有化合物的前体离子;第三,根据其分子特征锁定感兴趣的前体离子,并构建前体离子列表;最后,对列表中的每个前体离子进行定向 MS/MS 分析,以确定其结构特征。利用我们的分析策略,共成功鉴定出 565 种成分。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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