Proposed minimum reporting standards for chemical analysis

Authors Organisations
  • Lloyd W. Sumner(Author)
  • Alexander Amberg(Author)
  • Dave Barrett(Author)
  • Michael H. Beale(Author)
  • Richard Beger(Author)
  • Clare Daykin(Author)
  • Teresa Fan(Author)
  • Oliver Fiehn(Author)
  • Royston Goodacre(Author)
  • Julian L. Griffin(Author)
  • Thomas Hankemeier(Author)
  • Nigel Hardy(Author)
  • James Harnly(Author)
  • Richard Higashi(Author)
  • Joachim Kopka(Author)
    Max Planck Institute, Golm
  • Andrew N. Lane(Author)
  • John C. Lindon(Author)
  • Philip Marriott(Author)
  • Andrew W. Nicholls(Author)
  • Michael D. Reily(Author)
  • John J. Thaden(Author)
  • Mark R. Viant(Author)
Type Article
Original languageEnglish
Pages (from-to)211-221
Number of pages11
JournalMetabolomics
Volume3
Issue number3
DOI
Publication statusPublished - 01 Sep 2007
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Abstract

There is a general consensus that supports the need for standardized reporting of metadata or information describing large-scale metabolomics and other functional genomics data sets. Reporting of standard metadata provides a biological and empirical context for the data, facilitates experimental replication, and enables the re-interrogation and comparison of data by others. Accordingly, the Metabolomics Standards Initiative is building a general consensus concerning the minimum reporting standards for metabolomics experiments of which the Chemical Analysis Working Group (CAWG) is a member of this community effort. This article proposes the minimum reporting standards related to the chemical analysis aspects of metabolomics experiments including: sample preparation, experimental analysis, quality control, metabolite identification, and data pre-processing. These minimum standards currently focus mostly upon mass spectrometry and nuclear magnetic resonance spectroscopy due to the popularity of these techniques in metabolomics. However, additional input concerning other techniques is welcomed and can be provided via the CAWG on-line discussion forum at http://msi-workgroups.sourceforge.net/ or http://Msi-workgroups-feedback@lists.sourceforge.net. Further, community input related to this document can also be provided via this electronic forum.

Keywords

  • metabolomics, metabolite profiling, metabolite identification, minimum reporting standards, chemical analysis, mass spectrometry, nuclear magnetic resonance, flux, isotopomer analysis, GC-MS, LC-MS, CE-MS, NMR, quality control, method validation