MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 25938372.
- Also identified by DOI 10.1038/nmeth.3393 and PMC identifier 4449330.
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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.
Medical subject headings
- Chlorophyta
- Chromatography, Liquid
- Metabolome
- Software
- Tandem Mass Spectrometry