SE199:/AM1

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Sample Set Information

ID	SE199
Title	Untargeted metabolome analysis of rice using LC-MS / LC-MSを用いたイネのノンターゲットメタボローム解析
Description	Untargeted metabolome analyses of rice using liquid chromatography-mass spectrometry (LC-MS). Two rice cultivars, Koshichikar and Nipponbare, were used. The information on the peaks detected in rice was available at the Plant Metabolome Repository website (http://metabolites.in/plants). 液体クロマトグラフィー-質量分析（LC）を用いたイネのノンターゲットメタボローム解析です。試料として、二種類のレタス（コシヒカリとニッポンバレ）を用いました。検出されたピークは、植物メタボロームレポジトリ (http://metabolites.in/plants) から公開されています。
Authors	Sakurai N1,2, Suda K1, Keiichi Kanno3, Soichi Kojima3, Akimoto N1, Hoshi K1, Osawa S1, Ikeda C1, Ozawa K1, Yamada M1, Muneto R1, Shibata D1 (1 Kazusa DNA Research Institute, 2 National Institute of Genetics), Contact: sakurai AT nig.ac.jp (replace AT with @) 櫻井望1,2、須田邦裕1、菅野圭一3、小島創一3、秋元奈弓1、星久美1、大澤祥子1、池田千晶1、小澤馨史1、山田学1、宗藤玲子1、柴田大輔1（1 かずさDNA研究所, 2 国立遺伝学研究所、3 東北大学農学研究科）
Reference
Comment

ID	AM1
Title	Characterization by compound database search and FlavonoidSearch
Description	Database searching Compound database searching was performed using the accurate mass value and the estimated adduct. The following databases are used: KEGG, KNApSAcK, Human Metabolome Database (HMDB), LipidMAPS, flavonoid database in metabolomics.jp. The UC2 database in the MFSearcher web service (Sakurai et al., 2018, Bioinformatics 34: 698-) was used for rapid cross-database searching and compiling the constitutional isomers in one record. FlavonoidSearch Prediction of flavonoid aglycones was conducted by FlavonoidSearch (Akimoto et al., 2017, Sci Rep 7: 1243 ) using MS2 and MS3 spectra in positive mode. The possibility of the peak being a flavonoid is high when a higher hit score, usually larger than 0.3, is observed. Candidates of known flavonoids are listed in the FlavonoidSearch results.
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