What types of input does MetaboAnalyst accept?

MetaboAnalyst accepts all data formats commonly generated in metabolomics, including

  • Targeted profiling (compound list, or concentration tables)
  • Fingerprinting approaches (spectral bins, peak lists) produced from either NMR, LC-MS, or GC-MS.
  • Raw LC-MS spectra saved in open data format (mzML, mzXML, NetCDF)

For format specification and example datasets, please check the “Data Formats” from MetaboAnalyst for more details.