Identification of the age of white tea using proton transfer reaction time‐of‐flight mass spectrometry (PTR‐TOF‐MS) coupled with multivariate analysis

化学 质谱法 主成分分析 偏最小二乘回归 多元分析 多元统计 OPL公司 线性判别分析 色谱法 统计 分子 数学 有机化学 氢键
作者
Weihua Wu,Dandan Zhang,Ye He,Jie Cao,Xiaojing Li
出处
期刊:Rapid Communications in Mass Spectrometry [Wiley]
卷期号:36 (3) 被引量:7
标识
DOI:10.1002/rcm.9215
摘要

In recent years, white tea has become increasingly popular. Some merchants confuse the age of white tea and sell poor-quality products for profit. Therefore, it is necessary to provide technical support for product authentication and valorization in white tea of different marked ages.Volatile organic compounds (VOCs) were detected by proton transfer reaction time-of-flight mass spectrometry (PTR-TOF-MS) and identified as volatile fingerprints. PTR-TOF-MS combined with multivariate analysis was found to identify white tea of four different marked ages (1, 3, 5, and 8 years) for authentication. Principal component analysis (PCA) and orthogonal partial least-squares discriminant analysis (OPLS-DA) were used as classification models to identify key volatile metabolites.The OPLS-DA model achieved the best results (96.67%, 96.67%, 96.67%, and 96.67% in the training set and 96.00%, 96.00%, 100%, and 100% in the prediction set for 1-year, 3-year, 5-year, and 8-year tea samples, respectively), showing that PTR-TOF-MS with the OPLS-DA model could successfully be used in the identification of white tea with different marked ages. Out of the 60 identified VOCs, 26 volatile materials were closely correlated with tea age and were used as markers to discriminate white tea of different ages.PTR-TOF-MS coupled with multivariate analysis could be applied for quality evaluation of tea products of different ages and provided a feasible technical support for product authentication and valorization in white tea of different marked ages.

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