Application of liquid chromatography combined with low-field drift tube ion mobility time-of-flight mass spectrometry (HPLC×IM-TOFMS) for red wine fingerprinting

Causon, Tim and Ivanova, Violeta and Petruseva, Dragana and Bogeva, Elena and Hann, Stephan (2018) Application of liquid chromatography combined with low-field drift tube ion mobility time-of-flight mass spectrometry (HPLC×IM-TOFMS) for red wine fingerprinting. In: 25th Congress of SCTM, 19-22 Sept 2018, Ohrid, R. Macedonia.

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Abstract

Phenolic compounds are important quality components in red wine affecting the taste of bitterness and astringency, the color and long wine stability and aging. In this study, a rapid and sensitive analytical technique was used for detailed phenolics fingerprinting of 42 Macedonian red wines produced from different wine regions. Analyses were performed using high performance liquid chromatography in combination with low-field drift tube ion mobility time-of-flight mass spectrometry (HPLC×IMS-TOFMS). The reliability of DTCCSN2 values, based on consensus values from a standardized and reproducible workflow, was evaluated as an identification point for wine metabolomics. Using appropriate software tools for alignment and statistical evaluation, a full dataset for each wine was obtained, including retention time, accurate mass, fragment spectra and DTCCSN2. 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. Up to seven identification points for a single compound can be generated when data from both positive and negative mode measurements are combined. The correlation between abundance across the two ionization modes was found to be very good in many examples with correlation coefficients (R2) values of 0.63-0.97 for eleven putative metabolites in Vranec wines, and 0.70-0.99 for nine putative metabolites in Pinot Noir. Acknowledgments: The Ministry of Education and Science of the Republic of Macedonia and the Austrian Agency for International Cooperation in Education and Research (OeAD) are thanked for financial support (Bilateral Project between Austria and R. Macedonia, MK 12/2016). Vienna Business Agency and EQ BOKU VIBT GmbH are acknowledged for providing mass spectrometry instrumentation. Keywords: wine phenolics fingerprinting, HPLC×IMS-TOFMS.

Item Type: Conference or Workshop Item (Poster)
Subjects: Natural sciences > Chemical sciences
Divisions: Faculty of Agriculture
Depositing User: Violeta Ivanova Petropulos
Date Deposited: 04 Oct 2018 08:54
Last Modified: 04 Oct 2018 08:54
URI: http://eprints.ugd.edu.mk/id/eprint/20452

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