ピーク情報

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Peak #2387 MN MID: SE205_S02_M90

m/z: 455.21347, RT: 31.32, 強度: 3741, ログ強度: 0.05, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside]

DBごとのヒット数: ALL 1 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: -

組成式	分子量	誤差(Δppm）	候補化合物名（代表で最短名を記載）	化合物ID
C19H34O12	454.20503	2.570	Butyl (S)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside]	HMDB: HMDB0039214 LipidMAPS: LMFA03120060, LMFA13010045

Level: 2, プリカーサーm/z: 455.21350

Splash: splash10-004l-0191200000-90a80a5e05ff579f2d66

m/z	Int.	NL	Rel.Int.
276.14	2513	179	1000
293.16	1829	162	727
438.26	1138	17	452
162.96	966	292	384
233.11	960	222	381
395.27	394	60	156
396.29	202	59	80
360.30	181	95	72
437.17	168	18	66
156.88	146	298	57
234.10	134	221	53
413.14	127	42	50

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe)	Flavone	7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
[Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methyl-3-hexenyl))-B(1OH, 1OMe)	Flavanone	Leachianone D
[3-substituted Flavone (3-(3-Hydroxy-3-methylbutyl))]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH)	3-substituted Flavone	5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone
[Dihydroflavonol]-A(2OH, 1Geranyl)-B(1OH, 1OMe)	Dihydroflavonol	Diplacol 4'-methylether
[Dihydroflavonol]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH)	Dihydroflavonol	Kushenol I

Level: 3, プリカーサーm/z: 276.13113

Splash: splash10-001i-0190000000-bb1ece09fa2e7f27fdb4

m/z	Int.	NL	Rel.Int.
233.15	1443	43	1000
114.01	129	162	89
114.96	78	161	53

Level: 3, プリカーサーm/z: 293.21582

Splash: splash10-004i-0190000000-8a226535d6617f7195d0

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Aurone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Aurone	4-Methoxyfurano[2'',3'':6,7]aurone
[2-(alpha-oxobenzyl)benzofuran (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	2-(alpha-oxobenzyl)benzofuran	Derriobtusone A
[alpha-substituted Chalcone (alpha-Methyl)]-A(1OMe, 1Methyl, 1([2,3:@@]-Furano))-B(none)	alpha-substituted Chalcone	Purpuritenin B
[Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(1Methyl)	Chalcone	Purpuritenin A
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	Pongone
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	Cauliflorin A
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	Glabone
[Flavone]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavone	2-(4-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavone	Kanjone
[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavone	9-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one
[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavone	Pinnatin
[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	Flavonol	Karanjin
[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	Flavonol	Ponganone XI

m/z	Int.	NL	Rel.Int.
276.26	977	17	1000
233.08	89	60	91
114.02	78	179	80
275.62	70	18	71
115.00	68	178	69