Abstract
This chapter describes a protocol for the analysis of the metabolomic fingerprint of wine by liquid chromatography-mass spectrometry. The straightforward, optimized sample preparation procedure is limited to a single-step dilution with water or acetonitrile. The separation of wine analytes is carried out by two columns with orthogonal selectivity, including both reversed-phase (C18) and hydrophilic interaction (HILIC) chromatography, while the detection is assured by a high-resolution quadrupole time-of-flight mass spectrometer operating in negative and positive electrospray ionization mode, in order to obtain four different chromatograms for each sample. This validated protocol, or parts of it, could be applied in several oenological topic experimental designs, including wine quality and wine authenticity.
This is a preview of subscription content, log in via an institution.
Buying options
Tax calculation will be finalised at checkout
Purchases are for personal use only
Learn about institutional subscriptionsReferences
Nicholson JK, Lindon JC (2008) Systems biology: metabonomics. Nature 455:1054–1056
Gika HG, Theodoridis GA, Vrhovsek U et al (2012) Quantitative profiling of polar primary metabolites using hydrophilic interaction ultrahigh performance liquid chromatography-tandem mass spectrometry. J Chromatogr A 1259:121–127
Theodoridis G, Gika H, Franceschi P et al (2011) LC-MS based global metabolite profiling of grapes: solvent extraction protocol optimisation. Metabolomics 8:175–185
Theodoridis GA, Gika HG, Want EJ et al (2012) Liquid chromatography–mass spectrometry based global metabolite profiling: a review. Anal Chim Acta 711:7–16
Naz S, Vallejo M, García A et al (2014) Method validation strategies involved in non-targeted metabolomics. J Chromatogr A 1353:99–105
Buscher JM, Czernik D, Ewald JC et al (2009) Cross-platform comparison of methods for quantitative metabolomics of primary metabolism. Anal Chem 81:2135–2143
Cajka T, Fiehn O (2016) Toward merging untargeted and targeted methods in mass spectrometry-based metabolomics and Lipidomics. Anal Chem 88:524–545
Arapitsas P, Speri G, Angeli A et al (2014) The influence of storage on the “chemical age” of red wines. Metabolomics 10:816–832
Arapitsas P, Ugliano M, Perenzoni D et al (2016) Wine metabolomics reveals new sulfonated products in bottled white wines, promoted by small amounts of oxygen. J Chromatogr A 1429:155–165
Mattivi F, Arapitsas P, Perenzoni D et al (2015) Influence of storage conditions on the composition of red wines - advances in wine research - ACS symposium series. In: ACS symposium series. ACS Publications, Washington, DC, pp 29–49
Franceschi P, Mylonas R, Shahaf N et al (2014) MetaDB a data processing workflow in untargeted MS-based metabolomics experiments. Front Bioeng Biotechnol 2:72
Smith CA, Want EJ, O' Maille G et al (2006) XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification. Anal Chem 78(3):779–778
Katajamaa M, Miettinen J, Oresic M (2006) MZmine: toolbox for processing and visualization of mass spectrometry based molecular profile data. Bioinformatics 22:634–636
Lommen A (2009) MetAlign: interface-driven, versatile metabolomics tool for hyphenated full-scan mass spectrometry data preprocessing. Anal Chem 81:3079–3086
Xia J, Wishart DS et al (2016) Using MetaboAnalyst 3.0 for comprehensive metabolomics data analysis. Curr Protoc Bioinformatics 55:14.10.1–14.10.91. https://doi.org/10.1002/cpbi.11
Sumner LW, Amberg A, Barrett D et al (2007) Proposed minimum reporting standards for chemical analysis chemical analysis working group (CAWG) metabolomics standards initiative (MSI). Metabolomics 3:211–221
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2018 Springer Science+Business Media, LLC, part of Springer Nature
About this protocol
Cite this protocol
Arapitsas, P., Mattivi, F. (2018). LC-MS Untargeted Protocol for the Analysis of Wine. In: Theodoridis, G., Gika, H., Wilson, I. (eds) Metabolic Profiling. Methods in Molecular Biology, vol 1738. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-7643-0_16
Download citation
DOI: https://doi.org/10.1007/978-1-4939-7643-0_16
Published:
Publisher Name: Humana Press, New York, NY
Print ISBN: 978-1-4939-7642-3
Online ISBN: 978-1-4939-7643-0
eBook Packages: Springer Protocols