基于质子转移反应时间飞行质谱(PTR-TOF-MS)结合多变量分析识别不同种类的建阳白茶

Different Types of Jianyang White Tea Were Identified based on the Proton Transfer Reaction Time-To-Flight Mass Spectrometry (PTR-TOF-MS) Combined with Multivariate Analysis

采用质子转移反应时间飞行质谱(PTR-TOF-MS)对四种白茶种类(白牡丹、寿眉、贡眉、白毫银针)样品进行了挥发性香气分析。通过质谱分析初步确认相应的质量峰对应的挥发性有机化合物(VOCs)。采用双向正交偏最小二乘-判别分析(O2PLS-DA)识别不同种类的白茶之间的差异性,并且通过方差分析(cross-validate residuals)和排列检验(permutation test)来评估O2PLS-DA模型的稳定性和有效性。通过选择VIP值和P值来找出识别不同种类白茶的关键质谱峰。通过层次聚类分析(HCA)进一步验证不同种类白茶可以通过挥发性有机化合物进行分类。因此,O2PLS-DA判别模型可用于识别不同种类白茶样品。

The volatile aroma analysis of four white tea species (white peony,longevity eyebrow,eyebrow,white millisilver needle) was performed using proton transfer reaction time flight mass spectrometry (PTR-TOF-MS).The volatile organic compounds (VOCs) of the corresponding mass peaks were preliminarily confirmed by mass spectrometry analysis.Two-way orthogonal partial least squares-discriminant analysis (O2PLS-DA) was used to identify the variability between different types of white tea,and to evaluate the stability and effectiveness of the O2PLS-DA model was determined by analysis of variance (analysis of variance of cross-validate residuals) and permutation test (permutation test).Key MS peaks identifying different types of white tea based on identification by selecting VIP and P values.Hierarchical clustering analysis (HCA) was further verified that different types of white tea can be classified by volatile organic compounds.Therefore,the O2PLS-DA discriminant model can be used to identify different kinds of white tea samples.