Proposed minimum reporting standards for chemical analysis

Chemical Analysis Working Group (CAWG) Metabolomics Standards Initiative (MSI)

Lloyd W. Sumner, Alexander Amberg, Dave Barrett, Michael H. Beale, Richard Beger, Clare A. Daykin, Teresa W M Fan, Oliver Fiehn, Royston Goodacre, Julian L. Griffin, Thomas Hankemeier, Nigel Hardy, James Harnly, Richard Higashi, Joachim Kopka, Andrew N. Lane, John C. Lindon, Philip Marriott, Andrew W. Nicholls, Michael D. Reily & 2 others John J. Thaden, Mark R. Viant

Research output: Contribution to journalArticle

1245 Citations (Scopus)

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/.

Original languageEnglish (US)
Pages (from-to)211-221
Number of pages11
JournalMetabolomics
Volume3
Issue number3
DOIs
StatePublished - Sep 2007

Fingerprint

Metabolomics
Chemical analysis
Metadata
Metabolites
Genomics
Quality Control
Nuclear magnetic resonance spectroscopy
Quality control
Mass spectrometry
Mass Spectrometry
Magnetic Resonance Spectroscopy
Experiments
Processing

Keywords

  • CE-MS
  • Chemical analysis
  • Flux
  • GC-MS
  • Isotopomer analysis
  • LC-MS
  • Mass spectrometry
  • Metabolite identification
  • Metabolite profiling
  • Metabolomics
  • Method validation
  • Minimum reporting standards
  • NMR
  • Nuclear magnetic resonance
  • Quality control

ASJC Scopus subject areas

  • Biochemistry
  • Cell Biology

Cite this

Proposed minimum reporting standards for chemical analysis : Chemical Analysis Working Group (CAWG) Metabolomics Standards Initiative (MSI). / Sumner, Lloyd W.; Amberg, Alexander; Barrett, Dave; Beale, Michael H.; Beger, Richard; Daykin, Clare A.; Fan, Teresa W M; Fiehn, Oliver; Goodacre, Royston; Griffin, Julian L.; Hankemeier, Thomas; Hardy, Nigel; Harnly, James; Higashi, Richard; Kopka, Joachim; Lane, Andrew N.; Lindon, John C.; Marriott, Philip; Nicholls, Andrew W.; Reily, Michael D.; Thaden, John J.; Viant, Mark R.

In: Metabolomics, Vol. 3, No. 3, 09.2007, p. 211-221.

Research output: Contribution to journalArticle

Sumner, LW, Amberg, A, Barrett, D, Beale, MH, Beger, R, Daykin, CA, Fan, TWM, Fiehn, O, Goodacre, R, Griffin, JL, Hankemeier, T, Hardy, N, Harnly, J, Higashi, R, Kopka, J, Lane, AN, Lindon, JC, Marriott, P, Nicholls, AW, Reily, MD, Thaden, JJ & Viant, MR 2007, 'Proposed minimum reporting standards for chemical analysis: Chemical Analysis Working Group (CAWG) Metabolomics Standards Initiative (MSI)', Metabolomics, vol. 3, no. 3, pp. 211-221. https://doi.org/10.1007/s11306-007-0082-2
Sumner, Lloyd W. ; Amberg, Alexander ; Barrett, Dave ; Beale, Michael H. ; Beger, Richard ; Daykin, Clare A. ; Fan, Teresa W M ; Fiehn, Oliver ; Goodacre, Royston ; Griffin, Julian L. ; Hankemeier, Thomas ; Hardy, Nigel ; Harnly, James ; Higashi, Richard ; Kopka, Joachim ; Lane, Andrew N. ; Lindon, John C. ; Marriott, Philip ; Nicholls, Andrew W. ; Reily, Michael D. ; Thaden, John J. ; Viant, Mark R. / Proposed minimum reporting standards for chemical analysis : Chemical Analysis Working Group (CAWG) Metabolomics Standards Initiative (MSI). In: Metabolomics. 2007 ; Vol. 3, No. 3. pp. 211-221.
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