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Low and high resolution gas chromatography-mass spectrometry for untargeted metabolomics: A tutorial


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Título : Low and high resolution gas chromatography-mass spectrometry for untargeted metabolomics: A tutorial
Autor : Rey-Stolle, María Fernanda
Dudzik, Danuta
González Riaño, Carolina
Fernández García, Miguel
Alonso-Herranz, Vanesa
Rojo Blanco, David
Barbas Arribas, Coral.
García Fernández, Antonia
Materias: Compound identificationGC-MS protocolsHigh-resolution mass spectrometryMetabolic fingerprintingMetabolomics or metabonomicsSpectral library.
Editorial : Elsevier
Citación : Rey-Stolle F, Dudzik D, Gonzalez-Riano C, Fernández-García M, Alonso-Herranz V, Rojo D, Barbas C, García A. Low and high resolution gas chromatography-mass spectrometry for untargeted metabolomics: A tutorial. Anal Chim Acta. 2022 Jun 1;1210:339043. doi: 10.1016/j.aca.2021.339043. Epub 2021 Sep 9. PMID: 35595356.
Resumen : GC-MS for untargeted metabolomics is a well-established technique. Small molecules and molecules made volatile by derivatization can be measured and those compounds are key players in main biological pathways. This tutorial provides ready-to-use protocols for GC-MS-based metabolomics, using either the well-known low-resolution approach (GC-Q-MS) with nominal mass or the more recent high-resolution approach (GC-QTOF-MS) with accurate mass, discussing their corresponding strengths and limitations. Analytical procedures are covered for different types of biofluids (plasma/serum, bronchoalveolar lavage, urine, amniotic fluid) tissue samples (brain/hippocampus, optic nerve, lung, kidney, liver, pancreas) and samples obtained from cell cultures (adipocytes, macrophages, Leishmania promastigotes, mitochondria, culture media). Together with the sample preparation and data acquisition, data processing strategies are described specially focused on Agilent equipments, including deconvolution software and database annotation using spectral libraries. Manual curation strategies and quality control are also deemed. Finally, considerations to obtain a semiquantitative value for the metabolites are also described. As a case study, an illustrative example from one of our experiments at CEMBIO Research Centre, is described and findings discussed.
URI : http://hdl.handle.net/10637/15431
Derechos: http://creativecommons.org/licenses/by-nc-nd/4.0/deed.es
ISSN : 0003-2670
Fecha de publicación : 1-jun-2022
Centro : Universidad San Pablo-CEU
Aparece en las colecciones: Medicina





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