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目的分析苍耳草与苍耳子的差异化学成分。方法采用超高效液相色谱-串联四级杆飞行时间高分辨质谱(UPLC-Triple TOF-MS/MS)技术对不同产地苍耳草与苍耳子8批样品进行测定,通过多级串联质谱分析,对质谱数据进行峰匹配、峰对齐、滤噪处理等,以提取特征峰;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别。结果苍耳草与苍耳子样品的化学组成得到有效区分;初步筛选出44个差异化学成分,并鉴定出41个成分,其中所分析样品的12个共有差异化学成分呈现不同的变化规律。结论从苍耳草与苍耳子化学成分差异的角度,可为揭示二者药性、药效差异的物质基础提供依据。
Objective To analyze the chemical composition of the different genus Xanthium and Xanthium. Methods Eight batches of samples from different regions of Xanthium and Xanthium were determined by UPLC-Triple TOF-MS / MS and analyzed by multistage tandem mass spectrometry , Peak matching, peak filtering and noise filtering were performed on the mass spectra to extract the characteristic peaks. The data were processed by principal component analysis (PCA) and partial least squares (PLS-DA) Mass-to-charge ratio and secondary mass spectrum fragment information, combined with software database search and related literature component identification. Results The chemical constituents of Xanthoceras sorbifolia and Xanthium sibiricum were effectively distinguished. Forty-four differential chemical constituents were screened out and 41 constituents were identified. Among them, 12 common differential chemical constituents showed different variation patterns. Conclusion From the perspective of the differences in the chemical constituents of Xanthium sanguinea and Xanthium sibiricum, it can provide the basis for revealing the material basis of the differences in their medicinal properties and pharmacodynamics.