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LC-MS Untargeted Protocol for the Analysis of Wine

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Part of the book series: Methods in Molecular Biology ((MIMB,volume 1738))

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.

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References

  1. Nicholson JK, Lindon JC (2008) Systems biology: metabonomics. Nature 455:1054–1056

    Article  CAS  Google Scholar 

  2. 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

    Article  CAS  Google Scholar 

  3. 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

    Article  Google Scholar 

  4. 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

    Article  CAS  Google Scholar 

  5. Naz S, Vallejo M, García A et al (2014) Method validation strategies involved in non-targeted metabolomics. J Chromatogr A 1353:99–105

    Article  CAS  Google Scholar 

  6. 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

    Article  CAS  Google Scholar 

  7. Cajka T, Fiehn O (2016) Toward merging untargeted and targeted methods in mass spectrometry-based metabolomics and Lipidomics. Anal Chem 88:524–545

    Article  CAS  Google Scholar 

  8. Arapitsas P, Speri G, Angeli A et al (2014) The influence of storage on the “chemical age” of red wines. Metabolomics 10:816–832

    Article  CAS  Google Scholar 

  9. 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

    Article  CAS  Google Scholar 

  10. 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

    Google Scholar 

  11. 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

    Article  Google Scholar 

  12. 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

    Article  CAS  Google Scholar 

  13. Katajamaa M, Miettinen J, Oresic M (2006) MZmine: toolbox for processing and visualization of mass spectrometry based molecular profile data. Bioinformatics 22:634–636

    Article  CAS  Google Scholar 

  14. Lommen A (2009) MetAlign: interface-driven, versatile metabolomics tool for hyphenated full-scan mass spectrometry data preprocessing. Anal Chem 81:3079–3086

    Article  CAS  Google Scholar 

  15. 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

    Article  Google Scholar 

  16. 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

    Article  CAS  Google Scholar 

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Correspondence to Panagiotis Arapitsas .

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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

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  • DOI: https://doi.org/10.1007/978-1-4939-7643-0_16

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  • Publisher Name: Humana Press, New York, NY

  • Print ISBN: 978-1-4939-7642-3

  • Online ISBN: 978-1-4939-7643-0

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