GC-MS和化学计量学组合方法研究赤芍二氯甲烷提取物化学成分

目的：系统分析加速溶剂萃取法获得的赤芍二氯甲烷提取物化学组分。方法：气相色谱-质谱（GC-MS）检测提取物，利用化学计量学组合方法，即重叠色谱峰用粗糙惩罚平滑法处理后，经直观推导式演进特征投影（HELP）法解析，得到提取物中各成分的色谱和质谱信息，通过利用各组分质谱信息和谱库标准质谱相似度而获得定性分析结果，用总体积积分法和归一化法相对定量。结果：解析获得71个色谱峰，定性分析出52个组分，占总含量的86.97%。二氯甲烷提取物中主要含有酸、酚、醇和酯类等物质，其中苯甲酸、牡丹酚和邻甲基苯酚含量依次最高。结论：提出了简便快速对赤芍二氯甲烷提取物化学成分进行系统研究的方法。所得结果信息量多，定性准确度高，可为赤芍的研究和质量控制提供依据。

Objective: To systematically study the chemical components in the dichloromethane extracts of Radix Paeoniae Rubra obtained by accelerated solvent extraction(ASE). Methods: The chemical compositions were detected by GC-MS.After the overlapping chromatographic peaks,which were first treated with the roughness penalty smoothing method,were resolved into pure chromatograms and spectra by heuristic evolving latent projection(HELP),qualitative analysis was acquired by similarity search in NIST library with the pure mass spectrum of each component and the quantitative results were acquired by calculating the volume of total two-way response and the normalization method. Results: Totally,52 of the 71 separated components in the dichloromethane extracts of Radix Paeoniae Rubra were identified and quantified,which accounted for 86.97% of the total content.The main components were acids,alcohols,esters and phenols.Benzoic acid,paeonol and o-methyl phenol showed the highest content sequentially. Conclusions: A simple and rapid method for a systematic study of the chemical composition in the dichloromethane extracts of Radix Paeoniae Rubra is developed.Not only more information is obtained,but also the qualitative analysis of components is improved to a reliable degree.The established method can provide foundation for a further development and quality control of Radix Paeoniae Rubra.