• National Metabolomics Data Repository

    Upload and Manage
    Browse and Search

    As of 08/05/21 a total of 1818 studies have been processed by the National Metabolomics Data Repository (NMDR). There are 1543 publicly available studies and the remainder (275) will be made available subject to their embargo dates.

    Recently released studies on NMDR

    ST001860 - Spontaneous hydrolysis and spurious metabolic properties of α-ketoglutarate esters; Homo sapiens; University of British Columbia

    ST001489 - Metabolomics by UHPLC-HRMS reveals the impact of heat stress on pathogen-elicited immunity in maize; Zea mays; Agricultural Research Service, United States Department of Agriculture

    ST001877 - Targeted Sphingolipid analysis of HeLa knockout for expression of GRASP55; Homo sapiens; IBBC, CNR

  • Summary reports on metabolites in NMDR

    Typical metabolite concentration ranges via MetStat in NMDR

    View typical concentration ranges for a metabolite depending on species, tissue/organ, analysis method, etc. using MetStat. For example, what are typical concentrations of metabolites detected in human blood samples by MS or NMR? MetStat provides summary information across over 1,400 studies in NMDR. Here is a quick tutorial.

    Higlights/News archive

  • NMDR studies and Jupyter Notebooks

    Analyze Workbench studies via Python-based Jupyter Notebooks. Launch notebooks on Binder or download notebooks from GitHub and run them locally.
  • Exemplary Studies

    A list of exemplary studies are listed here which adhere to the submission guidelines of Metabolomics Workbench. Specifically, publically available studies having all or most of the features below were identified as exemplary studies.

    • Well-written study summary
    • Detailed metadata for collection/treatment/chromatography/MS/NMR, etc.
    • Post-processing details
    • Presence of control samples
    • Raw data availability for samples and controls
    • One-to-one mapping of sample names to raw data file name
    • Internal standards (with measurements)
    • Clear and organized metabolite annotations

    These include different analysis (GC-MS, LC-MS, NMR) and species type. We recommend looking at these studies as a model example before submitting to Metabolomics Workbench.

NIH Common Fund Stage 2 Metabolomics Consortium Centers
Metabolomics Consortium Coordinating Center (M3C)
Richard Yost, U. of Florida
Metabolomics Workbench/NMDR
Shankar Subramaniam, UC San Diego
(this website)
Compound Identification Cores (CIDCs)
Arthur Edison, U. of Georgia
Alexey Nesvizhskii, U. of Michigan
Oliver Fiehn, UC Davis
Dean Paul Jones, Emory University
Thomas Metz, Pacific Northwest Nat. Lab.
Data and Tools Cores (DTCs)
John Weinstein, MD Anderson Cancer C.
Jamey Young, Vanderbilt University
Xiuxia Du, U. of North Carolina Charlotte
Shuzhao Li, Emory University
Alla Karnovsky, U. of Michigan
Katerina Kechris, U. of Colorado, Denver
Gary Patti, Washington U. at St. Louis

YOUR FEEDBACK- Please tell us about your experiences with the Metabolomics Workbench.

Please cite:Metabolomics WorkbenchYou will get more info on how to cite here