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目的分析凹叶厚朴不同规格药材化学成分的差异。方法采用液相色谱-串联四极杆飞行时间高分辨质谱(LC-Triple TOF MS/MS)结合多元统计分析技术对凹叶厚朴干皮(筒朴)、根皮(根朴)与枝皮(枝朴)的化学组成进行比较分析。通过二级串联质谱分析,对其质谱数据进行峰匹配、峰对齐、滤噪处理等进行特征峰提取;用主成分分析(PCA)和偏最小二乘法-判别分析(PLS-DA)进行数据处理;通过一级质谱精确质荷比和二级质谱碎片信息,结合软件数据库搜索及相关文献进行成分鉴定。结果筒朴、根朴与枝朴的化学组成得到明显区分;初步筛选鉴定出不同规格之间22种差异显著的化学成分,其中所分析样品10种共有差异化学成分呈现不同的变化规律。结论为建立基于中药厚朴代谢组化学信息的规格等级数学预测模型及其商品药材质量的综合评价提供参考资料。
Objective To analyze the differences of the chemical constituents in different specifications of Radix Magnoliae Officinalis. Methods LC-Triple TOF MS / MS combined with multivariate statistical analysis was used to analyze the effects of root and shoot (root) and shoots Park) chemical composition for comparative analysis. The peak of MS spectra was extracted by two-stage tandem mass spectrometry (MS-MS / MS) and PCA (Peak Component Analysis) and PLS-DA (Partial Least Squares- Discriminant Analysis) ; Through the first-level mass spectrometry accurate mass-to-charge ratio and secondary mass spectral fragment information, combined with software database search and related literature component identification. Results The chemical constituents of Radix et Rhizoma, Radix et Rhizoma and Radix et Rhizoma were obviously distinguished. The preliminary screening and identification of 22 kinds of chemical components with significant difference among different specifications were carried out. Among them, the ten common chemical components of the samples analyzed showed different variation rules. Conclusion The paper provides reference materials for establishing a mathematical forecast model based on chemical information of Chinese medicine Magnolia officinalis metabolism group and its comprehensive evaluation of the quality of commercial medicinal materials.