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Profiling bourbons based on congener concentrations
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DOI：10.1016/j.jfca.2022.105019.png)
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Abstract
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1H NMR spectroscopy was used to analyze the chemical compositions of several distilled spirits (differently-aged, barrel-conditioned, single barrel, and non-aged) and bourbon whiskeys from seven distilleries. Our approach allowed for quantitation of 17 congeners in the samples. Our initial hypothesis was that the relative concentrations of these congeners would be sufficiently different to identify one bourbon from another. However, the differences in congener concentrations in the bourbons from different distilleries are not sufficient to allow for chemical finger-printing or distillery identification, when using routine statistical analyses. By applying Uniform Manifold Approximation and Projection (UMAP), a dimension reduction technique, we can discriminate between bourbons and identify the distilleries of origin. This study highlights that NMR spectroscopy combined with chemometrics can be used to uncover insights about the chemistry and provenance of bourbon whiskeys.
Keywords:
Bourbon whiskeys
Nuclear magnetic resonance spectroscopy
NMR
Uniform manifold approximation and
projection
UMAP
Congeners
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