High resolution mass spectrometry for structural identification of metabolites in metabolomics View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2016-01

AUTHORS

Estelle Rathahao-Paris, Sandra Alves, Christophe Junot, Jean-Claude Tabet

ABSTRACT

High resolution mass spectrometry (HRMS) is increasingly used to produce metabolomics data. Thanks to its high mass resolution and mass measurement accuracy, it is also very useful for metabolite identification. Nevertheless, a rigorous methodology is required. This manuscript describes different steps involved in the structural elucidation of metabolites and demonstrates the utility of HRMS for such purpose. After a brief overview of HRMS performances in terms of mass measurement accuracy, peak resolution, isotopic clusters/patterns and the instrumentation used, the first section is devoted to the data processing generally performed to reduce the data set size. Based on the mass accuracy measurements, different post-acquisition data processing procedures have been developed for complex mixture analysis and can be used in metabolomics. The second section describes protocols used to process putative metabolite annotations or identifications with HRMS data, based on elemental composition determined from accurately measured m/z value and mass spectral databases. Non-classical approaches are also proposed for tentative structure elucidation of unknown metabolites. Finally, limitations of the proposed workflow for metabolite structure elucidation are discussed and possible improvements are proposed. More... »

PAGES

10

References to SciGraph publications

  • 2009-11. Spectral accuracy of molecular ions in an LTQ/Orbitrap mass spectrometer and implications for elemental composition determination in JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
  • 2007-12. Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry in BMC BIOINFORMATICS
  • 2010-12. Advances in structure elucidation of small molecules using mass spectrometry in BIOANALYTICAL REVIEWS
  • 2013-04. The use of mass defect plots for the identification of (novel) halogenated contaminants in the environment in ANALYTICAL AND BIOANALYTICAL CHEMISTRY
  • 2011-07. Separation and Classification of Lipids Using Differential Ion Mobility Spectrometry in JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
  • 2013-08. LipidBlast in silico tandem mass spectrometry database for lipid identification in NATURE METHODS
  • 2006-12. Metabolomic database annotations via query of elemental compositions: Mass accuracy is insufficient even at less than 1 ppm in BMC BIOINFORMATICS
  • 2006-12. Isotope pattern evaluation for the reduction of elemental compositions assigned to high-resolution mass spectral data from electrospray ionization fourier transform ion cyclotron resonance mass spectrometry in JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
  • 2010-12. In silico fragmentation for computer assisted identification of metabolite mass spectra in BMC BIOINFORMATICS
  • 2010-11. Dioxin analysis by gas chromatography-Fourier transform ion cyclotron resonance mass spectrometry (GC-FTICRMS) in JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
  • 2012-02. Differentiation of the Stereochemistry and Anomeric Configuration for 1-3 Linked Disaccharides Via Tandem Mass Spectrometry and 18O-labeling in JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
  • 2006-07. Dynamic range of mass accuracy in LTQ orbitrap hybrid mass spectrometer in JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
  • 2009-06. The renaissance of high-energy CID for structural elucidation of complex lipids: MALDI-TOF/RTOF-MS of alkali cationized triacylglycerols in JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
  • 2009-12. Mass-spectrometry-based metabolomics: limitations and recommendations for future progress with particular focus on nutrition research in METABOLOMICS
  • 2015-06. MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis in NATURE METHODS
  • 2010-12. Ozone-induced dissociation on a modified tandem linear ion-trap: Observations of different reactivity for isomeric lipids in JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
  • 2008-06. Towards high-throughput metabolomics using ultrahigh-field Fourier transform ion cyclotron resonance mass spectrometry in METABOLOMICS
  • 2013-03. Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics in METABOLOMICS
  • 2010-12. Computational mass spectrometry for metabolomics: Identification of metabolites and small molecules in ANALYTICAL AND BIOANALYTICAL CHEMISTRY
  • 2010-08. The isotopic mass defect: a tool for limiting molecular formulas by accurate mass in ANALYTICAL AND BIOANALYTICAL CHEMISTRY
  • 2007-09. Proposed minimum reporting standards for chemical analysis in METABOLOMICS
  • 2010-12. MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data in BMC BIOINFORMATICS
  • 2006-03. Application of a linear ion trap/orbitrap mass spectrometer in metabolite characterization studies: Examination of the human liver microsomal metabolism of the non-tricyclic anti-depressant nefazodone using data-dependent accurate mass measurements in JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
  • 2014-11. Post-acquisition data processing for the screening of transformation products of different organic contaminants. Two-year monitoring of river water using LC-ESI-QTOF-MS and GCxGC-EI-TOF-MS in ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
  • 2013-12. Computational mass spectrometry for small molecules in JOURNAL OF CHEMINFORMATICS
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    URI

    http://scigraph.springernature.com/pub.10.1007/s11306-015-0882-8

    DOI

    http://dx.doi.org/10.1007/s11306-015-0882-8

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