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

Hiroshi Tsugawa, Tomas Cajka, Tobias Kind, Yan Ma, Brendan Higgins, Kazutaka Ikeda, Mitsuhiro Kanazawa, Jean Vandergheynst, Oliver Fiehn, Masanori Arita

Research output: Contribution to journalArticle

446 Scopus citations

Abstract

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.

Original languageEnglish (US)
Pages (from-to)523-526
Number of pages4
JournalNature Methods
Volume12
Issue number6
DOIs
StatePublished - May 28 2015

ASJC Scopus subject areas

  • Biotechnology
  • Molecular Biology
  • Biochemistry
  • Cell Biology

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    Tsugawa, H., Cajka, T., Kind, T., Ma, Y., Higgins, B., Ikeda, K., Kanazawa, M., Vandergheynst, J., Fiehn, O., & Arita, M. (2015). MS-DIAL: Data-independent MS/MS deconvolution for comprehensive metabolome analysis. Nature Methods, 12(6), 523-526. https://doi.org/10.1038/nmeth.3393