PTR-MS in enology: Advances in analytics and data analysis

The present communication deals with the improvement of proton transfer reaction mass spectrometry (PTR-MS) wine headspace analyses. In contrast to previous PTR-MS investigations of wine, where wine headspace was ionized by protonated ethanol clusters, the headspace was diluted by a factor of 1:40 with N2 and ionized by H3O+ ions. This method is better suited for routine applications than the previously reported method since it is simpler, faster, and the mass spectra obtained are less complex. A test wine was mixed with ethanol and with water to yield ethanol contents ranging from 10 to 15% (v/v) and these mixtures were analyzed to assess whether any quantitative differences in the composition of volatiles were detectable. The data showed no impact of the ethanol content on the wine headspace composition. The new method was applied to eight different wine samples produced from two different grape varieties: Pinot Noir and Cabernet Sauvignon. Each variety was grown in two different locations in South Tyrol (Northern Italy) and harvested at two different dates. Quantitative (but not qualitative) differences in PTR-MS spectra between the two wine varieties were observed. Using principal component analysis of selected m/z signals differentiation between Pinot Noir and Cabernet Sauvignon samples was achievable.