Recommendations for Metabolomics

Metabolomics studies are used to find biomarkers for disease and susceptibility. Lipidomics is a special form of metabolomics, but is also described in more detail in a separate section because of its special relevance to COVID-19 research.

Repositories

For a curated list of relevant repositories see FAIRsharing using the query ‘metabolomics‘.

Data and metadata standards

For a curated list of relevant standards see FAIRsharing using the query ‘metabolomics‘.

  • Core Information for Metabolomics Reporting CIMR standard
  • For identifying chemical compounds use SMILES or InChl
  • To document Investigation/Study/Assay data, use the ISA Abstract Model, also implemented as a tabular format, ISA-Tab in MetaboLights. For an introduction to ISA, see (Sansone S-A et al., 2012)
  • Recommended formats for LC-MS data: ANDI-MS specification, an analytical data interchange protocol for chromatographic data representation and/or mzML
  • Recommended formats for NMR data: nmrCV, nmrML