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Roullier-Gall, C. ; Signoret, J.* ; Hemmler, D. ; Witting, M. ; Kanawati, B. ; Schaefer, B.W.* ; Gougeon, R.D.* ; Schmitt-Kopplin, P.

Usage of FT-ICR-MS metabolomics for characterizing the chemical signatures of barrel-aged whisky.

Front. Chem. 6:29 (2018)
Verlagsversion Forschungsdaten DOI PMC
Open Access Gold
Creative Commons Lizenzvertrag
Whisky can be described as a complex matrix integrating the chemical history from the fermented cereals, the wooden barrels, the specific distillery processes, aging, and environmental factors. In this study, using Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) and liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS), we analyzed 150 whisky samples from 49 different distilleries, 7 countries, and ranging from 1 day new make spirit to 43 years of maturation with different types of barrel. Chemometrics revealed the unexpected impact of the wood history on the distillate's composition during barrel aging, regardless of the whisky origin. Flavonols, oligolignols, and fatty acids are examples of important chemical signatures for Bourbon casks, whereas a high number of polyphenol glycosides, including for instance quercetin-glucuronide or myricetin-glucoside as potential candidates, and carbohydrates would discriminate Sherry casks. However, the comparison of barrel aged rums and whiskies revealed specific signatures, highlighting the importance of the initial composition of the distillate and the distillery processes.
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Publikationstyp Artikel: Journalartikel
Dokumenttyp Wissenschaftlicher Artikel
Korrespondenzautor
Schlagwörter Ft-icr-ms ; Lc-ms ; Barrel ; Distillate ; Rum ; Whisky ; Wood; Mass-spectrometry; Oak Wood; Wines; Maturation; Volatile; Spirits; Extraction; Ethanol; Flavor; Proof
ISSN (print) / ISBN 2296-2646
e-ISSN 2296-2646
Zeitschrift Frontiers in Chemistry
Quellenangaben Band: 6, Heft: , Seiten: , Artikelnummer: 29 Supplement: ,
Verlag Frontiers
Verlagsort Lausanne
Nichtpatentliteratur Publikationen
Begutachtungsstatus Peer reviewed
Institut(e) Research Unit Analytical BioGeoChemistry (BGC)