SE127:/S4

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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 Information

ID S4
Title Chlorella variabilis (ATCC NC64A)
Organism - Scientific Name Chlorella variabilis
Organism - ID NCBI taxonomy 554065
Compound - ID
Compound - Source
Preparation
Sample Preparation Details ID SS2
Comment


Sample Preparation Details Information

ID SS2
Title The cultivation procedure of Chlorellas
Description UTEX 2341 (originally classified as Chlorella minutissima), Chlorella sorokiniana (UTEX 2805), and Chlorella variabilis (ATCC NC64A) were plated on ATCC #5 agar and colonies were selected for inoculation into liquid cultures. All three Chlorella strains were cultivated simultaneously in 250 mL hybridization tubes with four independent cultures per strain. Hybridization tubes were filled with 200 mL media and maintained in a 28 °C water bath. Aeration was supplied at 125 mL per minute with 2% CO2 mixed with air (v/v). Reactors were illuminated horizontally (10,000 lx) by T5 growth lamps operating on a 16:8 light/dark cycle and cultures were mixed by stir bar operating at ∼150 rpm. UTEX 2341 was cultivated in N8-NH4 medium, C. sorokiniana in N8 medium and C. variabilis in N8-NH4 medium supplemented with 20 mg/L yeast extract. Culture samples (1 mL) were quenched for lipidomics analysis during the late log growth 00stage.
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