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.
Database Integration Coordination Program by the National Bioscience Database Center (Japan)
Grant-in-Aid for Young Scientists (B) (Japan) 25871136
US National Science Foundation (NSF)–Japan Science and Technology Agency (JST) Strategic International Collaborative Research Program (SICORP) for Japan–United States metabolomics
ST-Core Research for Evolutionary Science and Technology (JST-CREST)
NSF (NSF MCB 113944)
National Institutes of Health (NIH) (Grants P20 HL113452 and U24 DK097154)