A novel approach to discriminate the volatilome of Vitis vinifera berries by selected ion flow tube mass Spectrometry analysis and chemometrics.

This study investigated a quick way to discriminate grape varieties based on their composition in volatile compounds through a SIFT-MS scan coupled with simple chemometrics approaches such as analysis of variance (ANOVA), principal component analysis (PCA) and hierarchical ascendant classification (HAC). The 23 studied grape varieties were distinguishable using O, HO and NO as reagent ions, and the combination of these three ions. For its ability to ionize most compounds, to efficiently fragment them to generate ions with distinct m/z ratio, and to enhance the differentiation of compounds of similar masses, O reagent ion should be preferentially considered.