SE231:/AM1

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Sample Set Information

ID	S231
Title	LC-MS based untargeted metabolome analysis of soybean
Description	Untargeted metabolome analysis in leaves of 79 accessions of soybean provided by the World Soybean Core Collection (The Research Center of Genetic Resources, National Agriculture and Food Research Organization, NARO) was conducted using liquid chromatography-mass spectrometry (LC-MS).
Authors	Nozomu Sakurai (National Institute of Genetics, Kazusa DNA Research Institute, Sakura Scientific, email: sakurai (at) kazusa.or.jp)
Reference
Comment

ID	AM1
Title	Characterization by compound database search and FlavonoidSearch
Description	- Compound database search Following databases are used: KEGG COMPOUND (Kanehisa et al., Nucleic Acids Res 44: D457-D462, 2016), KNApSAcK (Afendi et al., Plant Cell Physiol 53: e1, 2012), Human Metabolome Database (HMDB, Wishart et al., Nucleic Acids Res 41: D801-807, 2013), LIPID MAPS (Fahy et al., J Lipid Res 50: S9-14, 2009), and the flavonoid database in the web site http://metabolomics.jp/wiki/Category:FL. The UC2 database in the MFSearcher web service (Sakurai et al., Bioinformatics 34: 698-700, 2018) was used for rapid cross-database searching and compiling the constitutional isomers in one record. A 20 ppm mass tolerance was applied because the mass detection accuracy may become lower (approx. 16 ppm) in lower intensity peaks less than m/z 200 detected in ESI negative mode, although the accuracy is less than 5 ppm in usual cases. - Prediction of flavonoid aglycones Prediction of flavonoid aglycone based on the MS/MS spectrum was performed for the positive ion peaks using FlanovoidSearch system (Akimoto et al., Scientific Reports 7: 1243, 2017).
Comment_of_details