Analysis of Barrel-Aged Kentucky Bourbon Whiskey by Ultrahigh Resolution Mass Spectrometry
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Analysis of Barrel-Aged Kentucky Bourbon Whiskey by Ultrahigh Resolution Mass Spectrometry Kundi Yang 1 & Arpad Somogyi 2 & Caitlyn Thomas 1 & Huan Zhang 1 & Zishuo Cheng 1 & Shenyuan Xu 1 & Callie Miller 1 & Devin Spivey 1 & Colin Blake 3 & Clay Smith 3 & David Dafoe 3 & Neil D. Danielson 1 & Michael W. Crowder 1 Received: 5 May 2020 / Accepted: 25 August 2020 # Springer Science+Business Media, LLC, part of Springer Nature 2020
Abstract In an effort to characterize differently aged bourbons and to determine whether bourbons could be “fingerprinted” by their chemical compositions, we used Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) and liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS) to characterize 2 distinct sets of bourbon samples. The first set of bourbons were prepared using the same mash bill but were aged differently (unaged (0 years), 2 years, 4 years, and 6 years) in oak barrels. The results showed an increase in the number of chemical compounds present as the bourbon ages. Most of the large changes in chemical composition occur in the first 2 years of aging. We also analyzed single barrel bourbons, which were produced identically but maturated in different, adjacent barrels, and the results suggested that significant differences exist among these samples. These results suggest that “fingerprinting” of different bourbons for authentication purposes may be complicated and that careful analyses, coupled with more comprehensive identification of chemical compounds in bourbons, are needed. Keywords Fourier transform ion cyclotron resonance (FT-ICR) . Orbitrap . Mass spectrometry . Bourbon whiskey . Barrel aging
Introduction Whiskey is one of the largest classes of spirits sold in the world, and it is produced in Scotland (major form is called Scotch whisky), Ireland (major form is called Irish whiskey), Japan (Japanese Whisky), India, Canada (Canadian whisky), the USA (Bourbon Whiskey), and in many other countries (Russell et al. 2014). One of the largest producers of whisky in the world is Scotland, and Scotch has been analyzed with sensory analyses (Murray 2017) and many analytical techniques, such as liquid chromatography (LC) and gas Electronic supplementary material The online version of this article (https://doi.org/10.1007/s12161-020-01850-z) contains supplementary material, which is available to authorized users. * Michael W. Crowder [email protected] 1
Department of Chemistry & Biochemistry, Miami University, Oxford, OH 45056, USA
2
Campus Chemical Instrumentation Center, Mass Spectrometry and Proteomics Facility, The Ohio State University, Columbus, OH 43210, USA
3
Moonshine University and Grease Monkey Distillery, Louisville, KY, USA
chromatography (GC) coupled with flame ionization detection (FID) or mass spectrometry (MS) (Collins et al. 2014; Pryde et al. 2011; Teodoro et al. 2017; Wiśniewska et al. 2015). Recently, Kew et al. utilized Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) to analyze 85 different Scotch
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