MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis
2015; Nature Portfolio; Volume: 12; Issue: 6 Linguagem: Inglês
10.1038/nmeth.3393
ISSN1548-7105
AutoresHiroshi Tsugawa, Tomáš Čajka, Tobias Kind, Yan Ma, Brendan T. Higgins, Kazutaka Ikeda, Mitsuhiro Kanazawa, Jean S. VanderGheynst, Oliver Fiehn, Masanori Arita,
Tópico(s)Isotope Analysis in Ecology
ResumoA software tool, MS-DIAL, enables the identification of metabolomes by data independent acquisition–based mass spectrometry. 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.
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