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Proposed minimum reporting standards for chemical analysis |
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| Authors: | 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 John J Thaden Mark R Viant |
| Institution: | (1) The Samuel Roberts Noble Foundation, Ardmore, OK, USA;(2) Sanofi-Aventis Deutschland GmbH, Frankfurt, Germany;(3) Centre for Analytical Bioscience, School of Pharmacy, University of Nottingham, Nottingham, UK;(4) National Centre for Plant and Microbial Metabolomics, Rothamsted Research, West Common, Harpenden, Herts, UK;(5) National Center for Toxicological Research, Jefferson, AR, USA;(6) Division of Molecular and Cellular Science, School of Pharmacy, University of Nottingham, Nottingham, UK;(7) Department of Chemistry, University of Louisville, Louisville, KY, USA;(8) UC Davis Genome Center, University of California, Davis, CA, USA;(9) School of Chemistry and Manchester Interdisciplinary Biocentre, The University of Manchester, Manchester, UK;(10) The Department of Biochemistry, University of Cambridge, Cambridge, UK;(11) Division Analytical Biosciences, Leiden University, Leiden, The Netherlands;(12) Department of Computer Science, University of Wales Aberystwyth, Aberystwyth, UK;(13) Food Composition and Methods Laboratory, Beltsville Human Nutrition Research Center, Agricultural Research Service, U.S. Department of Agriculture, Beltsville, MD, USA;(14) Max Planck Institute of Molecular Plant Physiology, Golm, Germany;(15) James Graham Brown Cancer Center, University of Louisville, Louisville, KY, USA;(16) Department of Biomolecular Medicine, Imperial College London, London, UK;(17) School of Applied Sciences, RMIT University, Melbourne, Australia;(18) Investigative Preclinical Toxicology, GlaxoSmithKline, Ware, UK;(19) Discovery Biomarkers, Pfizer Global R&D, Ann Arbor, MI, USA;(20) College of Medicine, University of Arkansas for Medical Sciences, Little Rock, AR, USA;(21) School of Biosciences, The University of Birmingham, Birmingham, UK |
| 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 or . Further, community input related to this document can also be provided via this electronic forum. The contents of this paper do not necessarily reflect any position of the Government or the opinion of the Food and Drug Administration Sponsor: Metabolomics Society http://www.metabolomicssociety.org/ Reference: http://msi-workgroups.sourceforge.net/bio-metadata/reporting/pbc/ http://msi-workgroups.sourceforge.net/chemical-analysis/ Version: Revision: 5.1 Date: 09 January, 2007 |
| 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 |
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