title: Metabolomics Workbench: An international repository for metabolomics data and metadata, metabolite standards, protocols, tutorials and training, and analysis tools.
abstract: The Metabolomics Workbench, available at www.metabolomicsworkbench.org, is a public repository for metabolomics metadata and experimental data spanning various species and experimental platforms, metabolite standards, metabolite structures, protocols, tutorials, and training material and other educational resources. It provides a computational platform to integrate, analyze, track, deposit and disseminate large volumes of heterogeneous data from a wide variety of metabolomics studies including mass spectrometry (MS) and nuclear magnetic resonance spectrometry (NMR) data spanning over 20 different species covering all the major taxonomic categories including humans and other mammals, plants, insects, invertebrates and microorganisms. Additionally, a number of protocols are provided for a range of metabolite classes, sample types, and both MS and NMR-based studies, along with a metabolite structure database. The metabolites characterized in the studies available on the Metabolomics Workbench are linked to chemical structures in the metabolite structure database to facilitate comparative analysis across studies. The Metabolomics Workbench, part of the data coordinating effort of the National Institute of Health (NIH) Common Fund's Metabolomics Program, provides data from the Common Fund's Metabolomics Resource Cores, metabolite standards, and analysis tools to the wider metabolomics community and seeks data depositions from metabolomics researchers across the world.
authors.affiliation: San Diego Supercomputer Center, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92037, USA.
authors.forename: Manish
authors.initials: M
authors.lastname: Sud
authors.affiliation: San Diego Supercomputer Center, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92037, USA.
authors.forename: Eoin
authors.initials: E
authors.lastname: Fahy
authors.affiliation: San Diego Supercomputer Center, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92037, USA.
authors.forename: Dawn
authors.initials: D
authors.lastname: Cotter
authors.affiliation: San Diego Supercomputer Center, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92037, USA.
authors.forename: Kenan
authors.initials: K
authors.lastname: Azam
authors.affiliation: San Diego Supercomputer Center, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92037, USA.
authors.forename: Ilango
authors.initials: I
authors.lastname: Vadivelu
authors.affiliation: University of Michigan, 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105, USA.
authors.forename: Charles
authors.initials: C
authors.lastname: Burant
authors.affiliation: University of Florida, 2250 Shealy Drive, Gainesville, FL 32608, USA.
authors.forename: Arthur
authors.initials: A
authors.lastname: Edison
authors.affiliation: University of California, Davis, 451 Health Sciences Dr, Davis, CA 95616, USA.
authors.forename: Oliver
authors.initials: O
authors.lastname: Fiehn
authors.affiliation: University of Kentucky, 789 S. Limestone, 521 Biopharm Bldg, Lexington, KY 40536, USA.
authors.forename: Richard
authors.initials: R
authors.lastname: Higashi
authors.affiliation: Mayo Clinic, 200 First street SW, Rochester, MN 55902, USA.
authors.forename: K Sreekumaran
authors.initials: KS
authors.lastname: Nair
authors.affiliation: RTI International, 3040 Cornwallis Rd, Research Triangle Park, NC 27709, USA.
authors.forename: Susan
authors.initials: S
authors.lastname: Sumner
authors.affiliation: San Diego Supercomputer Center, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92037, USA Departments of Bioengineering, Computer Science and Engineering, Cellular and Molecular Medicine, and Chemistry and Biochemistry, University of California, San Diego, La Jolla, CA 92093, USA shankar@ucsd.edu.
authors.forename: Shankar
authors.initials: S
authors.lastname: Subramaniam
mesh_terms: D000818:Animals; D062126:Databases, Chemical; D006801:Humans; D009682:Magnetic Resonance Spectroscopy; D013058:Mass Spectrometry; D055432:Metabolomics / Q000193:education / Q000379:methods / Q000592:standards; D015394:Molecular Structure; D012015:Reference Standards; D012984:Software; D014584:User-Computer Interface