分析与检测

超高效液相色谱-四极杆/飞行时间质谱鉴别红葡萄酒的品种和产地

  • 韩静雯 ,
  • 李国辉 ,
  • 钟其顶 ,
  • 王道兵 ,
  • 樊双喜 ,
  • 刘洋
展开
  • (中国食品发酵工业研究院有限公司,北京,100015)
第一作者:硕士研究生(李国辉高级工程师为通信作者,E-mail:liguohui193@163.com)

收稿日期: 2021-12-17

  修回日期: 2022-01-06

  网络出版日期: 2022-11-01

基金资助

中国食品发酵工业研究院强院工程专项基金项目(院强院20-标信-504);北京市朝阳区高精尖专项(CYGX2104)

Identification of red wine varieties and origins based on ultra-high performance liquid chromatography-quadrupole/time of flight mass spectrometry

  • HAN Jingwen ,
  • LI Guohui ,
  • ZHONG Qiding ,
  • WANG Daobing ,
  • FAN Shuangxi ,
  • LIU Yang
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  • (China National Research Institute of Food and Fermentation Industries, Beijing 100015, China)

Received date: 2021-12-17

  Revised date: 2022-01-06

  Online published: 2022-11-01

摘要

为探究红葡萄酒品种鉴别和产地溯源的可行性,将红葡萄酒样品用甲醇进行稀释后过滤,采用超高效液相色谱-四极杆/飞行时间质谱仪和C18色谱柱对样品进行分析,进行指纹图谱数据的递归特征提取,利用主成分分析法、偏最小二乘法、支持向量机法和随机森林4种模型鉴别国产红葡萄酒品种和产地信息。通过对不同模型优化改进及其正确率进行对比,选择对红葡萄酒品种鉴别和产地溯源具有良好识别性的随机森林预测模型,其训练正确率均为100%,交叉验证正确率均在96%以上,为红葡萄酒真实性鉴别提供了有效的方法。

本文引用格式

韩静雯 , 李国辉 , 钟其顶 , 王道兵 , 樊双喜 , 刘洋 . 超高效液相色谱-四极杆/飞行时间质谱鉴别红葡萄酒的品种和产地[J]. 食品与发酵工业, 2022 , 48(19) : 250 -256 . DOI: 10.13995/j.cnki.11-1802/ts.030494

Abstract

In order to explore the feasibility of red wine variety identification and origin traceability, the red wine samples were diluted with methanol and then filtered. They were analyzed using an ultra-high performance liquid chromatography-quadrupole/time of flight mass spectrometry(UPLC-QTOF-MS) and C18 column. The recursive feature extraction of fingerprint data was carried out. Principal component analysis, partial least squares-discriminant analysis, support vector machine and random forest were used to identify the varieties and origin information of domestic red wine. The random forest prediction model with strong recognition for red wine variety identification and origin traceability was chosen after the optimization and enhancement of four models and analyzing their accuracy. The training accuracy was 100%, and the cross-validation accuracy was over 96%, which provided an effective method for red wine authenticity identification.

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