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

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。

Analysis of Chemical Constituents in Polygoni Multifori Radix Processed by Different Methods Using UPLC-QTOF-MS

An ultra-performance liquid chromatography coupled with time-of-flight mass spectrometric(UPLC-QTOF-MS) method was developed for the analysis of the differences among chemical compositions in Polygoni Multifori Radix processed by different methods.The samples were extracted with methanol by ultrasonic at room temperature and centrifuged.The extracts were analyzed by UPLC-QTOF-MS.After peak matching,peak alignment and noise filtering of characteristic peak extraction,the obtained data were analyzed by principal component analysis(PCA) and partial least-squares discriminant analysis(PLS-DA).The results demonstrated that there were significant differences among the samples of Polygoni Multifori Radix with different processing methods.Accurate mass measurements and CID experiments as well as the software of database searching and literature component identification were applied to identify.The chemical compositions of Polygoni Multifori Radix by different processing methods were analyzed,and 33 constituents were identified.Among them,15 constituents were the common chemical composition presented in different changing laws.The research provided experimental data for revealing the laws of different processing methods on metabolites of Polygoni Multifori Radix.