SE127:/DS2
From Metabolonote
Sample Set Information
ID | TSE6 |
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Title | MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis |
Description | 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. |
Authors | Hiroshi Tsugawa, Tomas Cajka, Tobias Kind, Yan Ma, Brendan Higgins, Kazutaka Ikeda, Mitsuhiro Kanazawa, Jean VanderGheynst, Oliver Fiehn & Masanori Arita |
Reference | Tsugawa et al. (2015) Nature Methods 12(6):523–526 |
Comment |
The raw data files are available at DROP Met web site in PRIMe database of RIKEN.
Data Analysis Details Information
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Comment_of_details |