SE127:/S7

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
Comment

PubMed

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

Sample Information

ID	S7
Title	Nannochloropsis oculata (UTEX LB2164)
Organism - Scientific Name	Nannochloropsis oculata
Organism - ID	NCBI taxonomy 43925
Compound - ID
Compound - Source
Preparation	The cultures of Euglena gracilis (UTEX B367), Cricosphaera carterae (UTEX LB1014), Nannochloropsis oculata (UTEX LB2164), Dunaliella salina (UTEX LB200), and Pavlova lutheri (UTEX LB1293) were purchased from the UTEX culture collection of algae.
Sample Preparation Details ID	SS1
Comment

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.
Comment_of_details