MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis
Nature methods, 2015•nature.com
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 …
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 …
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.
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