基于UHPLC⁃QTRAP⁃MS/MS(MRM)特征轮廓谱技术的药用紫草化学成分分析

Chemical Constituents of Arnebiae Radix Based on UHPLC-QTRAP-MS/MS( MRM) Characteristic Chemical Profile

目的:应用UHPLC⁃QTRAP⁃MS/MS(MRM)技术构建药用紫草的特征轮廓谱并应用该谱对不同来源药用紫草的品质进行评价。方法:应用UHPLC⁃QTRAP⁃MS/MS(MRM)技术构建药用紫草的特征轮廓谱并鉴定其化学成分;采用聚类分析、主成分分析、偏最小二乘法判别分析对22批紫草饮片进行综合分析。结果:成功构建了药用紫草的特征轮廓谱并鉴定了73个可能的化合物,其中15个为首次鉴定。聚类分析和主成分分析结果表明不同种属紫草的化学成分差异显著,偏最小二乘法判别分析发现4个差异性成分,分别为:lithospermidin F、1/4⁃methoxy⁃lithospermidin J、β,β⁃二甲基丙烯酰紫草素和6⁃(11′⁃deoxyalkannin)⁃alkannin/shikonin β,β⁃dimethylacrylate。结论:基于UHPLC⁃QTRAP⁃MS/MS(MRM)技术的特征轮廓谱分析方法为揭示药用紫草的药效物质基础与资源品质评价提供了重要详实的数据基础和技术保障。

Objective:To establish the characteristic chemical profile of Arnebiae Radix by UHPLC-QTRAP-MS/MS(MRM)tech-nology and evaluate the quality of Amebiae Radix from different species.Methods:The characteristic chemical profile of Armebiae Radix was obtained using UHPLC-QTRAP-MS/MS(MRM)technology and the compounds were identified.Cluster analysis,principal compo-nent analysis and partial least squares discriminant analysis were used to analyze 22 batches of Arnebiae Radix decoction pieces.Results:The chemical characteristic profile of Arnebiae Radix was successfully established and 73 possible compounds were i dentified,15 of which were identified for the first time.The results of cluster analysis and principal component analysis showed that the chemical constituents of different species of Arnebiae Radix were significantly different.Partial least squares discriminant analysis re-vealed 4 different components,which were lithospermidin F,1/4-methoxylithospermidin J,β,B-dimethylacrylshikonin and 6-(11'-deoxy-alkannin)-alkannin/shikoninβ,βdimethylacrylate.Conclusion:The chemical characteristic profile based on UHPLC-QTRAP-MS/MS(MRM)technology provides important and detailed data basis and technical support for revealing the pharmacodynamic material basis and quality evaluation of Amebiae Radix.