SE227:/S006/M90

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Sample Set Information

ID	SE227
Title	LC-MS based untargeted metabolome analysis of various samples
Description	Compounds in various samples were analyzed using liquid chromatography-mass spectrometry (LC-MS). The same analytical conditions are applied to all samples. Therefore, the compound peaks can be compared to each other by the mass values, the retention time of the LC, and the CID mass spectrum. The data were obtained for the construction of the “Thing Metabolome Repository” website (http://metabolites.in/things).
Authors	Nozomu Sakurai (National Institute of Genetics, Kazusa DNA Research Institute, email: sakurai (at) kazusa.or.jp)
Reference	The Thing Metabolome Repository family (XMRs): comparable untargeted metabolome databases for analyzing sample-specific unknown metabolites. Sakurai N, Yamazaki S, Suda K, Hosoki A, Akimoto N, Takahashi H, Shibata D and Aoki Y, Nucleic Acids Research Database Issue) 51 (D1): D660-D677 (2023), DOI: 10.1093/nar/gkac1058
Comment

ID	S006
Title	Barley drink 2 / 青汁2
Organism - Scientific Name
Organism - ID
Compound - ID
Compound - Source
Preparation	The sample was commercially available.
Sample Preparation Details ID	SS1
Comment

ID	SS1
Title	Homogenated and stored at -80 C
Description	After harvesting, the sample was immediately frozen in liquid nitrogen and stored at -80 degree C. The sample was ground to a fine powder under liquid nitrogen using mortar and pestle and stored at -80 degree C until use.
Comment_of_details

ID	M90
Title	PSEUDO: Positive, A set of analyses for valid peak selection.
Method Details ID
Sample Amount
Comment	This metadata represents a set of data obtained below for the convenience of the subsequent data analysis, including peak alignment between the data. SE227_S006_M01 (http://metabolonote.kazusa.or.jp/SE227:/S006/M01) SE227_S901_M01 (http://metabolonote.kazusa.or.jp/SE227:/S901/M01) SE227_S901_M02 (http://metabolonote.kazusa.or.jp/SE227:/S901/M02)