Untargeted lipidomic approach in studying pinot noir wine lipids and predicting wine origin

Abstract

An untargeted lipidomic profiling approach based on ultra - performance liquid chromatography - time-of-flight tandem mass spectrometry (UPLC-TOF-MS/MS) was successfully used to study the origin of commercial Pinot noir wines. The total wine lipids were extracted using a modified Bligh-Dyer method. In all wine samples, the total lipids were less than 0.1% (w/w) of wine. The wines analyzed consisted of 222 lipids from 11 different classes. 48 commercial Pinot noir wine samples were collected from producers in Burgundy, California, Oregon, and New Zealand. Lipidomic data was studied using advanced multivariate analysis methods, random forest, k-nearest neighbor (k-NN), and linear discriminant analysis. The overall classification accuracy was 97.5% for random forest and 90% for k-NN. Wine lipids showed a strong potential for classifying wines by origin, with the top 58 lipids contributing to the discrimination. This information could potentially be used for further study of the impacts of lipids on wine characteristics and authenticity.

Keywords: Discriminant analysis; Lipidomic fingerprinting; Random forest; Wine authentication; Wine classification.