ピーク情報

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Peak #2035 MN MID: SE199_S41_M90

m/z: 436.14501, RT: 35.25, 強度: 33108, ログ強度: 0.93, アダクト: [M+NH4]+, 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: -, MS3: 0.067

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	0.133	Citrifolinin B	KNApSAcK: C00055204
C17H22O12	418.11113	0.133	Mollugoside	KNApSAcK: C00010618
C17H22O12	418.11113	0.133	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: 436.14429

Splash: splash10-014i-0112900000-983afb919cf613503395

m/z	Int.	NL	Rel.Int.
418.94	14174	17	1000
383.00	3956	53	279
195.02	3134	241	221
213.07	867	223	61
237.07	751	199	52

Level: 3, プリカーサーm/z: 382.99960

Splash: splash10-004i-0090000000-a5b1213cbdc1f8c3ecea

m/z	Int.	NL	Rel.Int.
279.12	941	104	1000
261.05	312	122	331
237.00	192	146	203
365.13	88	18	93

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

Level: 3, プリカーサーm/z: 418.93631

Splash: splash10-01q9-0498000000-84bd7167cc92cda642e2

m/z	Int.	NL	Rel.Int.
383.14	744	36	1000
194.99	361	224	485
279.11	360	140	484
237.07	313	182	421
261.20	165	158	222
213.11	160	206	214
365.11	148	54	198
162.87	131	256	176
401.07	56	18	74

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.067	[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