Fingerprinting of traditionally produced red wines using liquid chromatography combined with drift tube ion mobility-mass spectrometry

Causon, Tim and Ivanova, Violeta and Petruseva, Dragana and Hann, Stephan (2019) Fingerprinting of traditionally produced red wines using liquid chromatography combined with drift tube ion mobility-mass spectrometry. Analytica Chimica Acta, 1052. pp. 179-189. ISSN 0003-2670

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Abstract

The characterization of wine via MS-based metabolic fingerprinting techniques remains a challenging undertaking due to the large number of phenolic compounds that cannot be confidently annotated and identified within analytical workflows. The combination of high performance liquid chromatography with low-field drift tube ion mobility time-of-flight mass spectrometry (HPLC x IMS-TOFMS) offers potential for the confident characterization and fingerprinting of wine using a metabolomics-type workflow. In particular, the use of collision cross section values from low-field drift tube IMS using nitrogen as drift gas ((CCSN2)-C-DT) in addition to retention time and a high resolution mass spectrum for putative compounds allows rugged statistical assessment and identity confirmation using CCS libraries (<0.5% error) to be performed. In the present work, an HPLC x IMS-TOFMS platform has been utilized for the fingerprinting of 42 traditionally produced red wines emanating from the Republic of Macedonia. After establishing the reliability of (CCSN2)-C-DT as an identification point for wine metabolomics in both ionization modes, fingerprinting of wines according to grape variety was undertaken and a full dataset containing retention, accurate mass and (CCSN2)-C-DT values used to derive lists of compounds found to be statistically characteristic for each variety. Putative compounds were further assessed by assignment of in-source and post-drift mass fragments aligned according to retention time, drift time, and accurate mass providing up to seven identification points for a single compound when data from both positive and negative mode measurements are combined.

Item Type: Article
Subjects: Natural sciences > Chemical sciences
Agricultural Sciences > Other agricultural sciences
Divisions: Faculty of Agriculture
Depositing User: Violeta Ivanova Petropulos
Date Deposited: 20 Jun 2019 07:20
Last Modified: 20 Jun 2019 07:20
URI: http://eprints.ugd.edu.mk/id/eprint/22128

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