ピーク情報

ゼニゴケ　Takaragaike-1

pos

Peak #1691 MN MID: SE205_S05_M90

m/z: 297.08685, RT: 39.32, 強度: 18769, ログ強度: 0.87, 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: (5 names) 3,3'-Bi-1H-indole-5,5',6,6'-tetrol;Phenytoin methylcatechol;Bruceolline C;3,3'-Dimethoxybenzidine-4,4'-diisocyanate;5-Hydroxy-4-methoxy-3-methyl-2,6-canthinedione

DBごとのヒット数: ALL 5 KG 1 KN 2 HM 2

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
C16H12O4N2	296.07971	-0.440	Phenytoin methylcatechol	HMDB: HMDB0060867
C16H12O4N2	296.07971	-0.440	3,3'-Bi-1H-indole-5,5',6,6'-tetrol	HMDB: HMDB0029301 KNApSAcK: C00054813
C16H12O4N2	296.07971	-0.440	Bruceolline C	KNApSAcK: C00027973
C16H12O4N2	296.07971	-0.440	3,3'-Dimethoxybenzidine-4,4'-diisocyanate	KEGG: C19403
C16H12O4N2	296.07971	-0.440	5-Hydroxy-4-methoxy-3-methyl-2,6-canthinedione	HMDB: HMDB0040798

MSnスペクトル情報

Level: 2, プリカーサーm/z: 297.08643

Splash: splash10-004j-0390000000-4d297e43f5e2678f3a4e

m/z	Int.	NL	Rel.Int.
279.07	34021	18	1000
147.94	21737	149	638
251.08	14459	46	424
280.05	6638	17	195
270.15	6514	27	191
252.22	1773	45	52

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Coumestan]-A(1OMe)-B(1OMe)	Coumestan	Coumestrol dimethyl ether
[Flavone]-A(1OMe)-B(1([@@]-Methylenedioxy))	Flavone	Milleyanaflavone
[Flavone]-A(2OMe, 1Methyl)-B(none)	Flavone	5,7-Dimethoxy-6-C-methylflavone
[Flavone]-A(1OH, 1OMe, 2Methyl)-B(none)	Flavone	Desmosflavone
[Flavone]-A(2OH, 1Formyl, 1Methyl)-B(none)	Flavone	Unonal
[Flavone]-A(2OH, 1Formyl, 1Methyl)-B(none)	Flavone	Isounonal
[Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(none)	Flavone	5-Methoxy-6,7-methylenedioxyflavone
[Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(none)	Flavone	5-Methoxy-7,8-methylenedioxyflavone
[UBR-type derivative / 7-Oxocyclohexa-4a,5-dienyl-type Flavone]-A(1OH, 3Methyl)-B(none)	UBR-type derivative / 7-Oxocyclohexa-4a,5-dienyl-type Flavone	Dasytrichone
[Isoflavone]-A(1OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Pseudobaptigenin methyl ether
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(1OMe)	Isoflavone	Maximaisoflavone H
[Pterocarpene]-A(1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpene	Anhydropisatin
[Coumestan]-A(1OH)-B(1([@@]-Methylenedioxy))	Coumestan	Medicagol

Level: 3, プリカーサーm/z: 279.07095

Splash: splash10-0udi-0090000000-d83e969ea9dbcf20e8ea

m/z	Int.	NL	Rel.Int.
251.09	12208	28	1000
252.06	1719	27	140
279.08	935	-0	76

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Aurone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Aurone	4-Hydroxyfurano[2'',3'':6,7]aurone
[Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Chalcone	Ovalitenin A
[Flavone]-A(1([2,3:@@]-Furano))-B(1OH)	Flavone	3'-Hydroxy-[2'',3'':7,8]furanoflavone
[Flavone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Flavone	6-Hydroxyfurano[2'',3'':7,8]flavone
[Flavone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Flavone	Pongaglabol
[Pterocarpene]-A(1([2,3:@@]-Furano))-B(1OH)	Pterocarpene	Neorauteen

Level: 3, プリカーサーm/z: 147.93649

Splash: splash10-014i-0900000000-c5098e1471658e834418

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