title: Profiling of nonvolatiles in whiskeys using ultra high pressure liquid chromatography quadrupole time-of-flight mass spectrometry (UHPLC-QTOF MS).
abstract: Commercial samples of 63 American whiskeys, including bourbon whiskeys, Tennessee whiskeys, rye whiskeys and other blended whiskeys were analysed using ultra high pressure liquid chromatography (UHPLC) coupled with quadrupole time-of-flight (QTOF) mass spectrometry (MS). The non-volatile composition of the whiskeys was used to model differences among the samples using discriminant analysis. The blended American whiskeys were readily distinguished from the remaining types. Additionally, most Tennessee whiskeys could be differentiated from bourbon and rye whiskeys. Similarly, younger (<4 years old) and older (>8 years old) whiskeys could be separated. The compounds important for differentiating among these whiskeys included wood derived phenolic compounds, lignan derived compounds and several C8 and larger lipids. A number of additional compounds differentiated the whiskeys but could not be identified using MS and MS/MS data alone.
authors.affiliation: Department of Viticulture and Enology, University of California, Davis, CA, United States; Food Safety and Measurement Facility, University of California, Davis, United States.
authors.forename: Thomas S
authors.initials: TS
authors.lastname: Collins
authors.affiliation: Agilent Technologies, Inc., Wilmington, DE, United States.
authors.forename: Jerry
authors.initials: J
authors.lastname: Zweigenbaum
authors.affiliation: Department of Viticulture and Enology, University of California, Davis, CA, United States; Food Safety and Measurement Facility, University of California, Davis, United States. Electronic address: seebeler@ucdavis.edu.
authors.forename: Susan E
authors.initials: SE
authors.lastname: Ebeler
mesh_terms: D000434:Alcoholic Beverages / Q000032:analysis*; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D016002:Discriminant Analysis; D053719:Tandem Mass Spectrometry / Q000379:methods*
keywords: Authentication; Bourbon whiskey; Discriminant analysis; Multivariate statistics; Nonvolatile composition; Oak; Rye whiskey; Tennessee whiskey