ArticleJournal of the American Society for Mass Spectrometry2017
Chemical Diversity and Complexity of Scotch Whisky as Revealed by High-Resolution Mass Spectrometry.
Article in Journal of the American Society for Mass Spectrometry, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
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Who cites it
22 citing papers in PubMed.
- Comprehensive Mapping of Compositional Dynamics in the Formose Reaction Network.Angewandte Chemie (International ed. in English) · 2026Article
- Evaluating Canadian yeast strains for novel new-make spirit applications.FEMS yeast research · 2026Article
- FREDA: A Web Application for the Processing, Analysis, and Visualization of Fourier-Transform Mass Spectrometry Data.Rapid communications in mass spectrometry : RCM · 2025Article
- Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Applications for Metabolomics.Biomedicines · 2024Review
- MS and NMR Analysis of Isotopically Labeled Chloramination Disinfection Byproducts: Hyperlinks and Chemical Reactions.Analytical chemistry · 2024Article
- Utilising Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) to track the oxidation of lignin by an alkaliphilic laccase.The Analyst · 2024Article
- High-Resolution Mass Spectrometry-Based Chemical Fingerprinting of Baijiu, a Traditional Chinese Liquor.ACS omega · 2024Article
- Analysis of Volatile and Nonvolatile Constituents in Gin by Direct-Infusion Ultrahigh-Resolution ESI/APPI FT-ICR Mass Spectrometry.Journal of agricultural and food chemistry · 2023Article
- Identification of Trace Components in Sauce-Flavor Baijiu by High-Resolution Mass Spectrometry.Molecules (Basel, Switzerland) · 2023Article
- Molecular Characterization of Organophosphorus Compounds in Wildfire Smoke Using 21-T Fourier Transform-Ion Cyclotron Resonance Mass Spectrometry.Analytical chemistry · 2022Article
- Photoluminescent Recognition of Strong Alcoholic Beverages with Carbon Nanoparticles.ACS omega · 2021Article
- Circularly polarized lanthanide luminescence for advanced security inks.Nature reviews. Chemistry · 2021Review
- Production, Characterization, and Sensory Profiling of Novel Pepper Distilled Spirit.International journal of food science · 2021Article
- Quantification of whisky congeners byAnalytical science advances · 2020Article
- ftmsRanalysis: An R package for exploratory data analysis and interactive visualization of FT-MS data.PLoS computational biology · 2020Article
- Real-Time Measurement of Ammonia (NHACS omega · 2019Article
- Compositional Differences and Similarities between Typical Chinese Baijiu and Western Liquor as Revealed by Mass Spectrometry-Based Metabolomics.Metabolites · 2018Article
- Complexity on the Menu and in the Meal.Foods (Basel, Switzerland) · 2018Review
- Usage of FT-ICR-MS Metabolomics for Characterizing the Chemical Signatures of Barrel-Aged Whisky.Frontiers in chemistry · 2018Article
- Advanced solvent signal suppression for the acquisition of 1D and 2D NMR spectra of Scotch Whisky.Magnetic resonance in chemistry : MRC · 2017Article
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Scotch Whisky is an important product, both culturally and economically. Chemically, Scotch Whisky is a complex mixture, which comprises thousands of compounds, the nature of which are largely unknown. Here, we present a thorough overview of the chemistry of Scotch Whisky as observed by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Eighty-five whiskies, representing the majority of Scotch Whisky produced and sold, were analyzed by untargeted high-resolution mass spectrometry. Thousands of chemical formulae were assigned for each sample based on parts-per-billion mass accuracy of FT-ICR MS spectra. For the first time, isotopic fine structure analysis was used to confirm the assignment of high molecular weight CHOS species in Scotch Whisky. The assigned spectra were compared using a number of visualization techniques, including van Krevelen diagrams, double bond equivalence (DBE) plots, as well as heteroatomic compound class distributions. Additionally, multivariate analysis, including PCA and OPLS-DA, was used to interpret the data, with key compounds identified for discriminating between types of whisky (blend or malt) or maturation wood type. FT-ICR MS analysis of Scotch Whisky was shown to be of significant potential in further understanding of the complexity of mature spirit drinks and as a tool for investigating the chemistry of the maturation processes. Graphical Abstract ᅟ.
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