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基于 UPLC-Q-Orbitrap-MS/MS 和化学计量学的绿茶和普洱生茶的化学特征分析与判别。

Chemical profiling and discrimination of green tea and Pu-erh raw tea based on UPLC-Q-Orbitrap-MS/MS and chemometrics.

机构信息

Faculty of Agriculture and Food, Kunming University of Science and Technology, Kunming 650500, China.

Key Laboratory of Hunan Province for Water Environment and Agriculture Product Safety, College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China; Key Laboratory of Materials Processing and Mold (Ministry of Education), Zhengzhou University, Zhengzhou 450002, China.

出版信息

Food Chem. 2020 Oct 1;326:126760. doi: 10.1016/j.foodchem.2020.126760. Epub 2020 Apr 20.

DOI:10.1016/j.foodchem.2020.126760
PMID:32447157
Abstract

To reveal the characteristic chemical profiles of Pu-erh raw tea (PRT) and traditional green tea (TGT), a high-throughput analytical method based on UPLC-Q-Orbitrap-MS/MS was proposed. 145 components were characterized with a three-level qualitative strategy and the integrated filtering strategy combining nitrogen rule, mass defect, and diagnostic ions information. 124 components were quantified using an internal standard method. The total contents of flavan-3-ols and derivatives, phenolic acids and derivatives were higher in PRT than TGT, while flavonoids were reversed. Furthermore, partial least squares-discriminant analysis (PLS-DA) models were established to classify TGT and PRT. 23 characteristic components were revealed by variable importance in projection method. Their difference in content is between 1.5 and 7.3 times for PRT and TGT. The results showed the chemical characteristics of TGT and PRT clearly and comprehensively. The high-throughput method demonstrated considerable potential in the analysis of complex chemical system, such as food and herbs.

摘要

为揭示普洱生茶(PRT)和传统绿茶(TGT)的特征化学特征,提出了一种基于 UPLC-Q-Orbitrap-MS/MS 的高通量分析方法。采用三级定性策略和结合氮规则、质量亏损和诊断离子信息的综合过滤策略,对 145 种成分进行了表征。采用内标法对 124 种成分进行定量分析。PRT 中黄烷-3-醇及其衍生物、酚酸及其衍生物的总量高于 TGT,而类黄酮则相反。此外,还建立了偏最小二乘判别分析(PLS-DA)模型来对 TGT 和 PRT 进行分类。通过投影变量重要性方法揭示了 23 个特征成分。PRT 和 TGT 的含量差异在 1.5 到 7.3 倍之间。该结果清晰全面地显示了 TGT 和 PRT 的化学特征。高通量方法在分析食品和草药等复杂化学体系方面具有很大的潜力。

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