超高效液相色谱-四极杆飞行时间质谱分析不同加工何首乌中差异化学成分

发布时间：2018-08-14 16:41

【摘要】：建立了超高效液相色谱-四极杆飞行时间质谱(UPLC-QTOF-MS)结合多元统计分析技术对不同加工何首乌中化学成分差异的分析方法。何首乌样品采用甲醇在室温下超声提取后,采用UPLC-QTOF-MS进行分析,对采集的图谱通过峰匹配、峰对齐、滤噪处理等进行特征峰提取,然后用主成分分析(PCA)和偏最小二乘法-判别分析(PLS-DA)对数据进行分析。结果显示,不同加工何首乌样品间的化学组成存在显著性差异;根据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,初步筛选并鉴定出33种不同加工何首乌间差异显著的化学成分,其中15种为共有差异化学成分,并呈现出不同的变化规律。研究结果可为揭示不同加工方法对何首乌代谢产物差异性的影响规律提供依据。
[Abstract]:A high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS) combined with multivariate statistical analysis was developed for the analysis of chemical components in Polygonum multiflorum. The samples of Polygonum multiflorum were extracted by methanol at room temperature and analyzed by UPLC-QTOF-MS. The characteristic peaks were extracted by peak matching, peak alignment, noise filtering and so on. Then principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) are used to analyze the data. The results showed that there were significant differences in chemical composition among different processed samples of Polygonum multiflorum, according to the accurate mass charge ratio of first-order mass spectrometry and the fragment information of second-order mass spectrometry, combined with the search of software database and related literature, the components were identified. 33 different chemical constituents of Polygonum multiflorum were preliminarily screened and identified, of which 15 were common and varied. The results can provide a basis for revealing the influence of different processing methods on the difference of metabolites of Polygonum multiflorum.
【作者单位】：南京中医药大学药学院;贵州昌昊中药发展有限公司研发部;
【基金】：国家科技支撑计划项目(2011BAI13B04) 江苏高校优势学科建设工程资助项目(ysxk-2014)
【分类号】：R284.1;O657.63

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