ピーク情報

＜アルコール飲料類＞（混成酒類）梅酒

pos

Peak #4133 MN MID: SE117_S160221_M90

m/z: 677.20725, RT: 49.80, 強度: 11226, ログ強度: 0.51, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: (10 names) Sesaminol glucosyl-(1->2)-glucoside;Scutellarein 6,7,4'-trimethyl ether 5-(6'''-acetylglucosyl)(1->3)-galactoside;5-[[3-O-(6-O-Acetyl-beta-D-glucopyranosyl)-beta-D-galactopyranosyl]oxy]-6,7-dimethoxy-...

DBごとのヒット数: ALL 8 KN 4 HM 4

FlavonoidSearch最大スコア MS2: -, MS3: 0.091

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
C32H38O17	694.21090	-0.521	Sesaminol glucosyl-(1->2)-glucoside	HMDB: HMDB0041210
C32H38O17	694.21090	-0.521	Sucrose 1',4'-(4,4'-dihydroxy-3,3'-dimethoxy-b-truxinate)	HMDB: HMDB0036978
C32H38O17	694.21090	-0.521	Glomeratose B	KNApSAcK: C00049169
C32H38O17	694.21090	-0.521	Helonioside A	KNApSAcK: C00033906
C32H38O17	694.21090	-0.521	Neocuscutoside C	HMDB: HMDB0041599
C32H38O17	694.21090	-0.521	Sinocrassoside B3	KNApSAcK: C00032134
C32H38O17	694.21090	-0.521	1,2-Diferuloylgentiobiose	HMDB: HMDB0301720
C32H38O17	694.21090	-0.521	Scutellarein 6,7,4'-trimethyl ether 5-(6'''-acetylglucosyl)(1->3)-galactoside	FlavonoidViewer: FL3FEAGS0038 KNApSAcK: C00004496 LipidMAPS: LMPK12111142

MSnスペクトル情報

Level: 2, プリカーサーm/z: 677.20630

Splash: splash10-014r-0019163000-04e9356563731ef44505

m/z	Int.	NL	Rel.Int.
515.16	574	162	1000
339.04	535	338	932
303.18	200	374	348
659.25	187	18	325
641.08	102	36	177
321.10	101	356	176
259.19	51	418	88
271.10	49	406	86
483.21	39	194	68
658.18	36	19	63
433.37	30	244	52
419.11	30	258	52
447.25	29	230	50

Level: 3, プリカーサーm/z: 339.04495

Splash: splash10-004i-0901000000-487fa1c163c28bdb928e

m/z	Int.	NL	Rel.Int.
177.03	263	162	1000
321.16	35	18	134

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.091	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	Citflavanone
0.091	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	Paratocarpin K
0.091	[2'-Hydroxychalcone]-A(3OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Mallotus A
0.071	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	2'-Hydroxychalcone	3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone
0.067	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	4-Hydroxyderricin
0.067	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Bavachalcone
0.067	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Isoxanthohumol(Helichrysum)
0.067	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone
0.063	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	5-Methoxy-7-hydroxy-8-C-prenylflavanone
0.063	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	Tephrinone
0.063	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	5-Hydroxy-7-methoxy-6-C-prenylflavanone
0.063	[Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	4'-Hydroxyisoderricin
0.063	[Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachinin
0.059	[Flavone]-A(2OH)-B(1OH, 1(C-Prenyl))	Flavone	Yinyanghuo D
0.059	[Flavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavone	5,7,4'-Trihydroxy-6-prenylflavone
0.059	[Flavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavone	Licoflavone C
0.059	[Chalcone]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl))	Chalcone	Licochalcone C
0.056	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Isoflavone	Wighteone
0.056	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Isoflavone	Lupiwighteone
0.056	[Isoflavone]-A(2OH)-B(1OH, 1(C-Prenyl))	Isoflavone	Isowighteone
0.043	[Flavonol]-A(2OH, 1(C-Prenyl))-B(none)	Flavonol	3,5,7-Trihydroxy-8-prenylflavone
0.043	[Flavonol]-A(2OH, 1(C-Prenyl))-B(none)	Flavonol	3,5,7-Trihydroxy-6-prenylflavone
0.000	[Pterocarpan]-A(1OH)-B(1OMe, 1(C-Prenyl))	Pterocarpan	Sandwicensin
0.000	[Auronol (2-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Auronol	Castillene D
0.000	[Chalcone]-A(1OH)-B(1OH, 1OMe, 1(1,1-Dimethylallyl))	Chalcone	Licochalcone A
0.000	[Chalcone]-A(1OH, 1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Chalcone	5'-Hydroxy-2'-methoxy-3,4-methylenedioxyfurano[2'',3'':4',3']chalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1Oxo, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	beta-Hydroxy(or Oxodihydro)chalcone	Ovalitenone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	beta-Hydroxy(or Oxodihydro)chalcone	Glyinflanin B
0.000	[Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Dihydrochalcone	Crotaramin
0.000	[Flavanone]-A(1OMe, 1(2-Hydroxy-1,1-dimethylallyl))-B(none)	Flavanone	Falciformin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(none)	Flavanone	6-C-Prenyl-8-C-methylpinocembrin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(none)	Flavanone	5,7-Dihydroxy-6-methyl-8-prenylflavanone
0.000	[Flavanone]-A(2OH, 1(4-Oxoprenyl))-B(none)	Flavanone	5,7-Dihydroxy-8-C-(4-oxoprenyl)flavanone
0.000	[Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(none)	Flavonol	8-(1,1-Dimethylallyl)galangin
0.000	[Flavan 4-ol]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none)	Flavan 4-ol	Hildgardtol A
0.000	[Flavan 4-ol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavan 4-ol	Hildgardtol B
0.000	[Flavan]-A(2OMe, 1(C-Prenyl))-B(none)	Flavan	5,7-Dimethoxy-8-prenylflavan
0.000	[CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin]-A(1OH)-B(1OH)	CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin	5-Carboxypyranopelargonidin
0.000	[Isoflavone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Isoflavone	Psoralenol
0.000	[Isoflavone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH)	Isoflavone	6-(1,1-Dimethylallyl)genistein
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Isoflavone	Crotalarin
0.000	[Isoflavanone]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavanone	Neotenone
0.000	[Isoflavan]-A(1OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavan	2'-O-Methylphaseollinisoflavan
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Isoflavan	4'-O-Methylglabridin
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan	Ficinin
0.000	[Pterocarpan]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Pterocarpan	Apiocarpin
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Pterocarpan-6a-ol	Glyceollin III
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Pterocarpan-6a-ol	Glyceollin I
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Pterocarpan-6a-ol	Glyceollin II
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan-6a-ol	Tuberosin
0.000	[2-Phenylbenzofuran]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	2-Phenylbenzofuran	Neoraufurane

Level: 3, プリカーサーm/z: 515.15851

Splash: splash10-004i-0901000000-8416822eeeb57cd308fe

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS3	共有数
	49.77	712.24409	35.0368	0.74	[M+NH4]+	(10 names) Sesaminol glucosyl-(1->2)-glucoside; Scutellarein 6,7,4'-trimethyl ether 5-(6'''-acetylglucosyl)(1->3)-galactoside; 5-[[3-O-(6-O-Acetyl-beta-D-glucopyranosyl)-beta-D-galactopyranosyl]oxy]-6,7-dimethoxy-...	ALL 8 KN 4 HM 4			6
	49.78	695.21783	18.0106	-0.16	[M+H]+	(10 names) Sesaminol glucosyl-(1->2)-glucoside; Scutellarein 6,7,4'-trimethyl ether 5-(6'''-acetylglucosyl)(1->3)-galactoside; 5-[[3-O-(6-O-Acetyl-beta-D-glucopyranosyl)-beta-D-galactopyranosyl]oxy]-6,7-dimethoxy-...	ALL 8 KN 4 HM 4			8
4133	49.80	677.20725	0.0000	0.51	[M-H2O+H]+	(10 names) Sesaminol glucosyl-(1->2)-glucoside; Scutellarein 6,7,4'-trimethyl ether 5-(6'''-acetylglucosyl)(1->3)-galactoside; 5-[[3-O-(6-O-Acetyl-beta-D-glucopyranosyl)-beta-D-galactopyranosyl]oxy]-6,7-dimethoxy-...	ALL 8 KN 4 HM 4	MS2 MS3 x 2	0.091	5

m/z	Int.	NL	Rel.Int.
177.05	212	338	1000
302.99	33	212	157
195.17	18	320	87
320.96	13	194	63

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

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