基于UPLC-Triple TOF MS/MS技术分析不同产地何首乌的差异化学成分

为了探讨不同产地对何首乌代谢物合成积累的影响,采用超高效液相色谱-串联四极杆飞行时间高分辨质谱法(UPLC-Triple TOF MS/MS)结合多元统计分析技术对不同产地何首乌中差异性化学成分进行研究。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,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;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。结果显示,4个不同产地的何首乌样品间的化学组成可得到有效区分;初步筛选出36种差异显著的化学成分并鉴定出33种成分,其中有12种共有差异化学成分呈现不同的变化规律。该结果可为揭示产地对何首乌代谢物合成积累的影响规律提供基础资料。

Difference of Chemical Compositions in Polygoni Multifori Radix from Different Habitats by UPLC-Triple TOF MS/MS

In order to study the influence of the different origin on the synthesis and accumulation of metabolites in Polygoni Multifori Radix, the UPLC-Triple TOF MS/MS method combined with multivariate statistical analysis was used to analyze the differences of chemical compositions in Polygoni Multifori Radix from different habitats. Through the analysis of the multistage tandem mass spectrometry, the characteristic peaks were extracted with mass spectrometry data peak matching, peak alignment and noise filtering. Principal component analysis (PCA) and partial least-squares discriminant analysis (PLS-DA) were used for data processing. The chemical compositions were identified or tentative presumed according to MS accurate mass and MS/MS spectrometry fragmentation information, combined with the software of database search and literature. The results showed that the differences among samples of Polygoni Multifori Radix from different habitats are distinguishable. A total of 36 differential chemical compositions were screened in Polygoni Multifori Radix from different habitats, and 33 chemical constituents of which were identified. Among of them, there were 12 kinds of common differential chemical compositions, such as 3,5-dihydroxyphenol-1-O-β-D-(6″-O-galloyl)-glucopyranoside, gallic acid, pocyanidin B-7-3 - O -gallate, catechin glycosidase, piceatannol-3-O-β-D-(6″-O-galloyl)-glucopyranoside, stilbene glucoside, THSG-glucuronide, torachrysone-O-β-D-glucopyranoside, emodin-8-O-(6′-O-malonyl)-β-D-glucopyranoside, emodin, palmidin A and physcion, which presented different change laws. The results showed that stilbene glucoside, torachrysone-O-β-D-glucopyranoside and emodin-8-O-(6′-O-malonyl)-β-D-glucopyranoside are much higher in the samples from Shibing county Guizhou province, 3,5-dihydroxyphenol-1-O-β-D-(6″-O-galloyl)-glucopyranoside, gallic acid and palmidin A are much higher in the samples from Yingshan city Hubei province, catechin glycosidase, piceatannol-3-O-β-D-(6″-O-galloyl)-glucopyranoside, THSG-glucuronide and emodin are much higher in the samples from Gaozhou city Guangdong province, pocyanidin B-7-3-O-gallate, and physcion are much higher in the samples from A’ba county Sichuan province. This study can provide basic information for revealing the influence law of the different origin on the biosynthesis of metabolites in Polygoni Multifori Radix.