基于高效液相色谱-高分辨质谱法的非靶标代谢组学方法分析鉴别不同产地番茄

Analysis and identifying geographic origins of Solanum lycopersicum by untargeted metabolomics approach based on high performance liquid chromatography-high resolution mass spectrometry

中文关键词:  番茄  产地溯源  非靶标代谢物分析  液相色谱高分辨质谱  偏最小二乘法判别分析

英文关键词:Solanum lycopersicum  origin traceability  analysis of untargeted metabolomics  high performance liquid chromatography-high resolution mass spectrometry  orthogonal partial least squares analysis discriminant analysis

中文摘要:

      目的 分析不同产地来源番茄内源成分的差异, 建立产地来源判别方法。方法 采用高效液相色谱-高分辨质谱法(high performance liquid chromatography-high resolution mass spectrometry, HPLC-HRMS)分析来源于全国5个地区105个番茄样品的乙醇-水提取物化合物组成, 结合主成分分析(principal component analysis, PCA)、正交偏最小二乘法判别分析(orthogonal partial least squares analysis discriminant analysis, OPLS-DA)、双向正交偏最小二乘法判别分析(two-way OPLS-DA, O2PLS-DA)方法, 对采集的HPLC-HRMS数据进行标志成分筛选和产地溯源模型构建。结果 以全部875个化合物为变量构建O2PLS-DA模型, 筛选出其中99个对模型判别贡献较大的特征成分, 重新构建了番茄产地的OPLS-DA判别模型, 判别正确率达到99.05%。对特征成分进行了化合物结构分析, 确定了其中18个有机酸、黄酮类特征化合物。结论 本研究建立的基于HPLC-HRMS的非靶标代谢组学方法能够科学、准确地用于番茄产地溯源, 该研究为番茄产地溯源提供了一种新的策略。

英文摘要:

      Objective To analyze the difference of endogenous components of Solanum lycopersicum from different origins, and establish a method for origin identification. Methods The compound composition of ethanol-water extract in 105 Solanum lycopersicum samples from 5 regions of China was determined by high performance liquid chromatography-high resolution mass spectrometry (HPLC-HRMS). Based on the HPLC-HRMS data, the marker component screening and origin tracing models constructing were implemented by stoichiometry including principal component analysis (PCA), orthogonal partial least squares analysis discriminant analysis (OPLS-DA) and two-way OPLS-DA (O2PLS-DA). Results The O2PLS-DA model was constructed with all 875 compounds as variables, and 99 of the characteristic components that contributed more to the model identification were screened out. The new OPLS-DA identification model of Solanum lycopersicum origin was reconstructed, and the identification accuracy reached 99.05%. The compound structures of the characteristic components were analyzed, 18 characteristic compounds of organic acids and flavonoids were identified. Conclusion The untargeted metabolomics method based on HPLC-HRMS established in this study can be scientifically and accurately applied to Solanum lycopersicum origin traceability, and this study provides a new strategy for Solanum lycopersicum origin traceability.