ピーク情報

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Peak #2031 MN MID: SE199_S41_M90

m/z: 419.11831, RT: 35.24, 強度: 145670, ログ強度: 1.57, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (3 names) Citrifolinin B;Mollugoside;Citrifolinin B epimer a

DBごとのヒット数: ALL 3 KN 3

FlavonoidSearch最大スコア MS2: 0.062, MS3: 0.036

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
C17H22O12	418.11113	-0.220	Citrifolinin B	KNApSAcK: C00055204
C17H22O12	418.11113	-0.220	Mollugoside	KNApSAcK: C00010618
C17H22O12	418.11113	-0.220	Citrifolinin B epimer a	KNApSAcK: C00042395, C00042396

MSnスペクトル情報

Level: 2, プリカーサーm/z: 419.11780

Splash: splash10-01qa-0898000000-911964e892e0914dd4e1

m/z	Int.	NL	Rel.Int.
383.07	14998	36	1000
195.01	12171	224	811
279.06	6391	140	426
237.12	5978	182	398
213.11	4077	206	271
365.10	3123	54	208
163.03	2330	256	155
261.14	1738	158	115
170.98	1145	248	76
181.10	962	238	64

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.063	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Gangetinin
0.000	[Flavone]-A(1OH, 2OMe)-B(4OMe)	Flavone	Agecorynin F
0.000	[Flavone]-A(3OMe)-B(1OH, 3OMe)	Flavone	Agecorynin G
0.000	[Flavone]-A(4OMe)-B(1OH, 2OMe)	Flavone	4'-Hydroxy-5,6,7,8,3',5'-hexamethoxyflavone
0.000	[Flavone]-A(4OMe)-B(1OH, 2OMe)	Flavone	3'-Hydroxy-5,6,7,8,4',5'-hexamethoxyflavone
0.000	[Flavone]-A(1OH, 3OMe)-B(3OMe)	Flavone	8-Hydroxy-5,6,7,3',4',5'-hexamethoxyflavone
0.000	[Flavone]-A(1OH, 3OMe)-B(3OMe)	Flavone	Gardenin A
0.000	[Flavone]-A(1OH, 3OMe)-B(3OMe)	Flavone	Agehoustin E
0.000	[Flavonol]-A(4OMe)-B(2OMe)	Flavonol	Natsudaidain
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Glu))-B(1OH)	2'-Hydroxychalcone	3'-C-Glucosylisoliquiritigenin
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(2OH)	2'-Hydroxychalcone	8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(4OMe)	2'-Hydroxychalcone	6'-Hydroxy-2,3,4,5,2'-pentamethoxy-3',4'-methylenedioxychalcone
0.000	[Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OMe)	Dihydrochalcone	Calomelanol A
0.000	[Flavanone]-A(1OH, 1(C-Galactosyl))-B(1OH)	Flavanone	8-C-beta-D-Galactosylliquiritigenin
0.000	[Flavanone]-A(4OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavanone	Agecorynin B
0.000	[Flavone]-A(2OH, 1(C-Xylosyl))-B(2OH)	Flavone	6-C-Xylosylluteolin
0.000	[Flavone]-A(2OH, 1(C-Arabinosyl))-B(2OH)	Flavone	8-C-alpha-L-Arabinosylluteolin
0.000	[Flavone]-A(2OH, 1(C-Arabinosyl))-B(2OH)	Flavone	6-C-alpha-L-Arabinosylluteolin
0.000	[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cyclomorusin
0.000	[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Isocyclomorusin
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(4OMe)	Flavonol	5-Hydroxy-3,7,2',3',4',6'-hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(1OH, 2OMe)	Flavonol	4'-Hydroxy-3,5,6,7,3',5'-hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,6,7,3',4',5'-hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,6,7,2',4',5'-hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe)	Flavonol	8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe)	Flavonol	Grantioidinin
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe)	Flavonol	7-Hydroxy-3,5,6,8,3',4'-hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe)	Flavonol	5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 2OMe)	Flavonol	5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe)	Flavonol	5-Hydroxy-3,6,7,8,2',4'-hexamethoxyflavone
0.000	[CCS-type derivative / [2,3a,4:5,4,3]-(8,9-Dihydroxy-1,5-dioxa-6-oxophenaleno)anthocyanidin]-A(1OH)-B(2OH)	CCS-type derivative / [2,3a,4:5,4,3]-(8,9-Dihydroxy-1,5-dioxa-6-oxophenaleno)anthocyanidin	Rosacyanin B
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(6-Hydroxymethyl-6-methylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexone D
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexin C
0.000	[Isoflavone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Scandinone
0.000	[Pterocarpan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Nitiducarpin
0.000	[Coumaranochromon]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Coumaranochromon	Millettin

Level: 3, プリカーサーm/z: 195.00543

Splash: splash10-03di-0900000000-765f461bfa9dcb0f355a

m/z	Int.	NL	Rel.Int.
162.93	10515	32	1000

Level: 3, プリカーサーm/z: 383.07193

Splash: splash10-004i-0091000000-59c657402f9648d060c3

m/z	Int.	NL	Rel.Int.
279.10	4782	104	1000
365.06	1053	18	220
261.09	1043	122	218
237.06	640	146	133

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.036	[Isoflavone]-A(1OH)-B(1OH, 2OMe, 1(C-Prenyl))	Isoflavone	Licoricone
0.036	[Isoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavone	7,3'-Dihydroxy-5,4'-dimethoxy-5'-prenylisoflavone
0.036	[Isoflavone]-A(2OH)-B(2OMe, 1(C-Prenyl))	Isoflavone	Piscerythrinetin
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Flavone	Artocarpetin B
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Pterocarpan	Desmodin
0.000	[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(2OH)-B(2OH, 1OMe)	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artoindonesianin T
0.000	[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(2OH)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Artonin K
0.000	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none)-C(1(O-Acetyl))	Dihydroflavonol	6-Prenylpinobanksin 3-O-acetate
0.000	[Flavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe)	Flavonol	Velloquercetin 4'-methyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH)	Flavonol	Velloquercetin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavonol	Sarothranol
0.000	[Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neoraucarpanol
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neorautanin
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Hildecarpidin
0.000	[12a-Hydroxyrotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	12a-Hydroxypachyrrhizone
0.000	[12a-Hydroxyrotenone (3-OMe)]-A(1([2,3:@@]-Furano))-B(2OMe)	12a-Hydroxyrotenone	Neobanone
0.000	[Coumaranochromon]-A(2OH)-B(2OH, 1(C-Prenyl))	Coumaranochromon	Lisetin
0.000	[3-Phenylcoumarin]-A(2OMe, 1(C-Prenyl))-B(2OH)	3-Phenylcoumarin	Glycyrin