MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis

Nat Methods. 2015 Jun;12(6):523-6. doi: 10.1038/nmeth.3393. Epub 2015 May 4.


Data-independent acquisition (DIA) in liquid chromatography (LC) coupled to tandem mass spectrometry (MS/MS) provides comprehensive untargeted acquisition of molecular data. We provide an open-source software pipeline, which we call MS-DIAL, for DIA-based identification and quantification of small molecules by mass spectral deconvolution. For a reversed-phase LC-MS/MS analysis of nine algal strains, MS-DIAL using an enriched LipidBlast library identified 1,023 lipid compounds, highlighting the chemotaxonomic relationships between the algal strains.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Chlorophyta / genetics
  • Chlorophyta / metabolism*
  • Chromatography, Liquid / methods*
  • Gene Expression Regulation, Plant
  • Lipid Metabolism / genetics
  • Lipid Metabolism / physiology
  • Lipids / chemistry
  • Metabolome*
  • Software*
  • Species Specificity
  • Tandem Mass Spectrometry / methods*


  • Lipids