BOKU - Universität für Bodenkultur Wien - Forschungsinformationssystem
Gewählte Publikation:
Causon, TJ; Ivanova-Petropulos, V; Petrusheva, D; Bogeva, E; Hann, S.
(2019):
Fingerprinting of traditionally produced red wines using liquid chromatography combined with drift tube ion mobility-mass spectrometry
ANAL CHIM ACTA. 2019; 1052: 179-189.
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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. (C) 2018 Elsevier B.V. All rights reserved.
- Autor*innen der BOKU Wien:
- Causon Tim
- Hann Stephan
- Find related publications in this database (Keywords)
- CCS
- HPLC
- Fingerprinting
- Ion mobility-mass spectrometry
- Metabolomics
- Wine
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