Application Note: Metabolomic Profiling of Wines using LC QTOF MS
14 November 2012

This application note presents a non-targeted metabolomic analysis approach to the classification of wine varieties using LC/QTOF MS and MassHunter Workstation software from Agilent Technologies. Molecular feature extraction, data filtering and statistical analysis utilizing ANOVA and PCA identified 26 marker compounds. These were then used to build a PLSDA prediction model. This method enables an overall accuracy of 95.6% when discriminating between Cabernet Sauvignon, Merlot and Pinot Noir red wine varieties. This approach is widely applicable to the analysis and characterization of foods.