A Chemometrical Approach for Vinegar Classification by Headspace Mass Spectrometry of Volatile Compounds

Abstract

The volatile fraction of ninety-eight different vinegars was analysed using a head-space analysis instrument assembled in our laboratory. This instrument is formed by an automatic sample introduction system, directly coupled to a mass detector without performing any chromatographic separation. The aim of this research was to classify the vinegar samples according to raw material (white or red wine, Sherry, malt, apple, alcohol) and production process (with or without ageing in wood barrels). The information contained in the measured signals was analysed by different chemometrical techniques. Linear Discriminant Analysis was used as classification method, after applying a feature selection technique. The 100% of samples were correctly classified and predicted, by cross-validation procedure, according to raw material and according to the ageing process in wood barrels.