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