ピーク情報

はつか大根　根

pos

Peak #3672 MN MID: SE202_S11_M90

m/z: 479.07923, RT: 38.12, 強度: 42296, ログ強度: 1.18, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (5 names) 14S-Bromo-1S-hydroxy-1,2,13,14-tetrahydrosphaerococcenol A;4-Methoxyglucobrassicin;Neoglucobrassicin;5-Methoxyglucobrassicin;Edta citrate

DBごとのヒット数: ALL 5 KG 2 KN 2 HM 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
C20H32O3Br2	478.07182	0.294	14S-Bromo-1S-hydroxy-1,2,13,14-tetrahydrosphaerococcenol A	KNApSAcK: C00038164
C17H22O10N2S2	478.07159	0.775	4-Methoxyglucobrassicin	HMDB: HMDB0303668 KEGG: C08423 KNApSAcK: C00000128
C17H22O10N2S2	478.07159	0.775	Neoglucobrassicin	HMDB: HMDB0038384 KEGG: C08424 KNApSAcK: C00000126
C17H22O10N2S2	478.07159	0.775	5-Methoxyglucobrassicin	HMDB: HMDB0301787 KNApSAcK: C00000131
C16H18O15N2	478.07072	2.593	Edta citrate	HMDB: HMDB0251706

MSnスペクトル情報

Level: 2, プリカーサーm/z: 479.07913

Splash: splash10-000b-0129000000-a8d156aa847a4bfd8dd2

m/z	Int.	NL	Rel.Int.
399.09	887	80	1000
237.07	493	242	556
331.27	304	148	342
160.01	220	319	247
317.21	165	162	185
332.20	82	147	92
398.47	73	81	81
461.26	50	18	56

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavonol]-A(1OH, 1OMe, 1(C-Glu))-B(2OH)	Flavonol	Keyakinin B
[Dihydrochalcone]-A(3OH)-B(1OH, 1(C-Prenyl), 1Geranyl)	Dihydrochalcone	3-Geranyl-4,2',4',6'-tetrahydroxy-5-prenyldihydrochalcone
[Flavonol]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(3OH)	Flavonol	8-C-Rhamnosyleuropetin

Level: 3, プリカーサーm/z: 399.12863

Splash: splash10-000i-0290000000-e0c8c3ca656009c84598

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Isoflavone]-A(2OH)-B(1OH, 2OMe, 1(C-Prenyl))	Isoflavone	2'-Hydroxypiscerythrinetin
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 2OMe)	Isoflavone	Viridiflorin
[Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	Isorhynchospermin
[Flavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	Rhynchospermin
[Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 2OMe)	Flavone	Baohuosu
[Flavone]-A(1OH, 1OMe, 1(4,5-Dihydroxy-6-methyltetrahydropyran-2-yl))-B(none)	Flavone	Hoslunddiol
[3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1OMe)-B(2OH, 1OMe)	3-substituted Flavone	Artoindonesianin Q
[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(1OH, 2OMe)	3-substituted Flavone	Artoindonesianin R
[Dihydroflavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Dihydroflavonol	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2'',3'':7,8]flavanone
[Flavonol (3-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH)	Flavonol	5,3',4'-Trihydroxy-3,7-dimethoxy-6-prenylflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavonol	5,7,4'-Trihydroxy-3,8-dimethoxy-6-prenylflavone
[Flavan 3,4-diol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavan 3,4-diol	3beta,4beta,5-Trimethoxy-4'-hydroxy- (6:7)-2,2-dimethylpyranoflavan
[CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin]-A(1OH)-B(1OH, 2OMe)	CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin	5-Carboxypyranomalvidin
[Pterocarpan-6a-ol]-A(1OMe)-B(2OMe, 1(C-Prenyl))	Pterocarpan-6a-ol	Sphenostylin A

ピーク情報

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MSnスペクトル情報

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