液相色谱-四级杆飞行时间串联质谱对法国波尔多地区葡萄酒产地溯源研究初探

Traceability of the wine in Bordeaux region from France based on liquid chromatography-quadrupole-time of flight tandem mass spectrometry

目的通过主成分分析和建立偏最小二乘法预测模型,鉴别法国波尔多地区葡萄酒产地信息。方法将葡萄酒样品直接进行离心、过膜,采用C_(18)分析型色谱柱,液相色谱.四级杆飞行时间串联质谱(LC-Q-TOF-MS)在正离子模式下测定葡萄酒中的物质组分,并结合统计学方法对特征物质进行筛选,进行主成分分析,以偏最小二乘法建立预测模型。主要考察了产地溯源的可行性,并尝试鉴别掺假制假。结果对质谱采集的信息进行化合物提取,共得到9322个化合物,过滤得46个化合物,主成分分析得到四种主要成分,其累计贡献率为80.5%。预测模型对产地鉴别和掺假鉴别有较好的识别性。结论基于LC-Q-TOF-MS对检测到的物质进行主成分分析在反应葡萄酒产地方面具有应用价值。使用LC-Q-TOF-MS对葡萄酒进行产地追溯具有可行性,建立预测模型的方法为葡萄酒身份信息鉴定提供了一种思路。

Objective To identify the adulteration of wine origin information in the Bordeaux region of France by conducting principal component analysis and establishing prediction model through partial least square method. Methods The wine samples were centrifuged directly. Liquid chromatography-quadrupole-time of flight tandem mass spectrometry (LC-Q-TOF-MS) with C18 analytical column was used to determine the components of wine in the positive ion mode, and combined with statistical methods to filter features of compounds, then conducted principal component analysis. Prediction model was established by the partial least square method. It mainly investigated the feasibility of the roots of origin and attempted to identify the adulteration of counterfeiting. Results Mass spectrometry acquisition information had a total of 9322 compounds after compounds extracted, and there were 46 compounds through filtering. There were 4 main components after conducting principal component analysis, and the cumulative contribution rate was 80.5%. Prediction model has good recognition properties for the identification of habitats and adulteration identification. Conclusion It has application value in wine regions reaction based on LC-Q-TOF-MS which can analyze principal component of the detected material. It is feasible to trace the origin of wine using LC-Q-TOF-MS. Establishing prediction model provides a new idea for identification of wine information.