title: Proposed minimum reporting standards for chemical analysis Chemical Analysis Working Group (CAWG) Metabolomics Standards Initiative (MSI).
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.
authors.affiliation: The Samuel Roberts Noble Foundation, Ardmore, OK, USA.
authors.forename: Lloyd W
authors.initials: LW
authors.lastname: Sumner
authors.forename: Alexander
authors.initials: A
authors.lastname: Amberg
authors.forename: Dave
authors.initials: D
authors.lastname: Barrett
authors.forename: Michael H
authors.initials: MH
authors.lastname: Beale
authors.forename: Richard
authors.initials: R
authors.lastname: Beger
authors.forename: Clare A
authors.initials: CA
authors.lastname: Daykin
authors.forename: Teresa W-M
authors.initials: TW
authors.lastname: Fan
authors.forename: Oliver
authors.initials: O
authors.lastname: Fiehn
authors.forename: Royston
authors.initials: R
authors.lastname: Goodacre
authors.forename: Julian L
authors.initials: JL
authors.lastname: Griffin
authors.forename: Thomas
authors.initials: T
authors.lastname: Hankemeier
authors.forename: Nigel
authors.initials: N
authors.lastname: Hardy
authors.forename: James
authors.initials: J
authors.lastname: Harnly
authors.forename: Richard
authors.initials: R
authors.lastname: Higashi
authors.forename: Joachim
authors.initials: J
authors.lastname: Kopka
authors.forename: Andrew N
authors.initials: AN
authors.lastname: Lane
authors.forename: John C
authors.initials: JC
authors.lastname: Lindon
authors.forename: Philip
authors.initials: P
authors.lastname: Marriott
authors.forename: Andrew W
authors.initials: AW
authors.lastname: Nicholls
authors.forename: Michael D
authors.initials: MD
authors.lastname: Reily
authors.forename: John J
authors.initials: JJ
authors.lastname: Thaden
authors.forename: Mark R
authors.initials: MR
authors.lastname: Viant
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
references.citation: Nat Biotechnol. 2004 Dec;22(12):1601-6
references.pmid: 15583675
references.citation: Metabolomics. 2007;3:189-194
references.pmid: 25653575
references.citation: Nat Biotechnol. 2005 Jul;23(7):833-8
references.pmid: 16003371
references.citation: Nat Biotechnol. 2004 May;22(5):613-4
references.pmid: 15122299
references.citation: Analyst. 2006 Aug;131(8):875-85
references.pmid: 17028718
references.citation: Plant Physiol. 2005 May;138(1):67-77
references.pmid: 15888680
references.citation: Trends Plant Sci. 2004 Sep;9(9):418-25
references.pmid: 15337491
references.citation: OMICS. 2006 Summer;10(2):158-63
references.pmid: 16901221