基于LC-QTOF MS/MS技术分析不同产地杜仲的差异化学成分

Difference of chemical constituents in Eucommiae Cortex from different habitats by LC-QTOF MS/MS

为了探讨生态环境对杜仲代谢物合成积累的影响,本文采用液相色谱-串联三重四级杆飞行时间高分辨质谱(LCQTOF MS/MS)结合多元统计分析技术对不同产地杜仲中化学成分差异性进行研究。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,并进行特征峰提取;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;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、标准品比对及相关文献进行成分鉴定。结果显示,3个不同产地杜仲样品间的化学组成得到有效区分;初步鉴定出23个差异化学成分,其中14种共有差异化学成分呈现不同的变化规律。该结果为揭示生态环境对杜仲代谢物合成积累的影响规律提供基础资料。

In order to study the influence of ecological environment regarding the synthesis and accumulation of metabolites in Eu- commiae Cortex, LC-QTOF MS/MS method combined with multivariate statistical analysis was used to analyze the differences of chemi- cal constituents in Eucommiae Cortex 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 compo- nent analysis （PCA） and partial least-squares discriminant analysis （PLS-DA） were used for data processing. The chemical constitu- ents were identified or tentative presumed according to MS accurate mass and MS/MS spectrometry fragmentation information, combined with the software of database search, comparison with reference standards and literature. The results show the differences among sam- ples of Eucommiae Cortex from different habitats are distinguishable. A total of 23 chemical constituents in Eucommiae Cortex were identified or tentative presumed. Among of them, 14 kinds of common differential chemical constituents （aucubin, geniposidic acid, neochlorogenic acid, syringin, olivil-4＇ ,4＇-di-Oβ-D-glucopyranoside, chlorogenic acid, cryptochlorogenic acid, 1-hydroxypinoresinol- 4＇, 4＇-di-O-β-D-glucopyranoside, caffeic acid, pinoresinol-di-O-β-D-glucopyranoside, syringaresiord-di-O-β-D-glucopyranoside, pi- noresinol-4＇-O-β-D-glucopyranoside, eucommiol, isochlurogenic acid C and asiatic acid） presented different changing laws. This study provides basic information for revealing the influence law of ecological environment on the biosynthesis of metabolites in Eucommiae Cortex.