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首页> 外文期刊>Analytical methods >A practical method for the rapid detection and structural characterization of major constituents from traditional Chinese medical formulas: analysis of multiple constituents in Yinchenhao Decoction
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A practical method for the rapid detection and structural characterization of major constituents from traditional Chinese medical formulas: analysis of multiple constituents in Yinchenhao Decoction

机译：一种中药配方中主要成分的快速检测和结构表征的实用方法：银chen蒿汤中多种成分的分析

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摘要

The components of traditional Chinese medical formulas (TCMFs) are generally extremely complex, belonging to hundreds of compound classes with diverse chemical and physical properties. Rapid and effective characterization of TCMFs is imperative in order to provide a first step toward determining which components are responsible for the therapeutic effects of a particular medical plant. A practical method based on Find by Formula (FBF) algorithms is described, which provides the rapid detection and structural characterization of major constituents from TCMFs. Results are presented by the analysis of classical TCMFs of Yinchenhao Decoction (YCHD). The data of the YCHD extract were acquired using a high performance liquid chromatography/quadrupole time-of-flight mass spectrometry (HPLC-Q/TOFMS/ MS) system, which feature high resolution, mass accuracy, and sensitivity. Based on a prepared simple database file and requisite filter template, the FBF approach was developed and employed to rapidly distinguish the peaks of target compounds from mass chromatograms, and the particular FBF spectrum with its MS/MS information were listed simultaneously. By this approach, 77 compounds from YCHD were rapidly characterized. The present results demonstrate that this strategy possesses significant advantages. This approach is adaptable to analyze complex components from TCMFs, as well as the availability to investigate all potential metabolites of one compound with specific molecular formulas.
机译：传统中药配方（TCMF）的成分通常非常复杂，属于数百种具有不同化学和物理特性的化合物类别。必须快速有效地表征TCMF，以提供第一步，以确定哪些成分对特定药用植物的治疗作用负责。描述了一种实用的基于公式查找（FBF）算法的方法，该方法可以快速检测和分析TCMF中的主要成分。通过对银杏浩汤（YCHD）的经典TCMF的分析得出结果。 YCHD提取物的数据使用高效液相色谱/四极杆飞行时间质谱（HPLC-Q / TOFMS / MS）系统获取，该系统具有高分辨率，质量准确度和灵敏度高的特点。在准备好的简单数据库文件和必要的过滤器模板的基础上，开发了FBF方法并将其用于从质谱图中快速区分目标化合物的峰，同时列出了特定的FBF光谱及其MS / MS信息。通过这种方法，快速鉴定了来自YCHD的77种化合物。目前的结果表明该策略具有明显的优势。这种方法适用于分析TCMF中的复杂成分，也适用于研究具有特定分子式的一种化合物的所有潜在代谢产物。

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