SE127:/SS1

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Sample Set Information

ID TSE6
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
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The raw data files are available at DROP Met web site in PRIMe database of RIKEN.

Sample Preparation Details Information

ID SS1
Title The quenching procedure of algae strains.
Description One mL cell suspensions were injected into 1 mL of –80 °C cold quenching solution composed of 70% methanol in water, centrifuged at 12,000 g for 2 min, and pellets were lyophilized and stored at −80 °C until further analysis. The same quenching procedure was used for all algae strains.
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