ピーク情報

ピスタチオいり味付け

pos

Peak #2287 MN MID: SE117_S050261_M90

m/z: 731.16058, RT: 39.26, 強度: 6422, ログ強度: 0.41, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 8

DB検索結果: (6 names) Procyanidin B2 3-gallate;Procyanidin B5 3'-O-gallate;(+)-Procyanidin B5 3'-O-gallate;Epicatechin-(4beta->6)-catechin 3-gallate;Catechin-(4alpha->8)-epicatechin 3'-gallate;Gallocatechin-(4alpha->8)-epi...

DBごとのヒット数: ALL 5 KN 5

FlavonoidSearch最大スコア MS2: -, 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
C37H30O16	730.15338	-0.115	3-O-Galloylcatechin-(4alpha->8)-catechin	HMDB: HMDB0037965, HMDB0301929, HMDB0301931 KNApSAcK: C00009208, C00009209, C00009211, C00009214
C37H30O16	730.15338	-0.115	Procyanidin B5 3'-O-gallate	KNApSAcK: C00037690
C37H30O16	730.15338	-0.115	3-O-Galloylepicatechin-(4beta->6)-catechin	HMDB: HMDB0301928 KNApSAcK: C00009206
C37H30O16	730.15338	-0.115	Catechin-(4alpha->8)-epicatechin-3-O-gallate	HMDB: HMDB0037966, HMDB0301930, HMDB0301932 KNApSAcK: C00009210, C00009212, C00009215
C37H30O16	730.15338	-0.115	Gallocatechin-(4alpha->8)-epigallocatechin-3-O-(4-hydroxybenzoate)	KNApSAcK: C00009245, C00009246

MSnスペクトル情報

Level: 2, プリカーサーm/z: 731.16107

Splash: splash10-03k9-0060900100-3644f363bc32f1b3f9e3

m/z	Int.	NL	Rel.Int.
411.17	665	320	1000
271.03	542	460	814
409.09	242	322	363
412.14	156	319	234
578.93	112	152	167
303.04	94	428	141
272.07	81	459	121
291.28	79	440	119
713.30	72	18	108
259.10	65	472	97
290.66	59	441	89
410.19	48	321	71
260.12	44	471	66
441.07	37	290	55
714.35	35	17	52
704.00	33	27	50

Level: 3, プリカーサーm/z: 411.19867

Splash: splash10-0a4i-0090000000-a3a1985ef6b1283ad611

m/z	Int.	NL	Rel.Int.
259.10	216	152	1000
289.05	30	122	140
271.14	29	140	133
247.09	22	164	102
207.03	20	204	94
393.13	20	18	90
333.04	16	78	71
163.02	12	248	54

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.036	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe)	Isoflavone	Toxicarolisoflavone
0.031	[Isoflavone]-A(1OMe, 1(C-Prenyl))-B(3OMe)	Isoflavone	Prebarbigerone
0.000	[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-p-Hydroxybenzoyl))	Flavan 3-ol	Catechin 3-O-p-hydroxybenzoate
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	beta-Hydroxy(or Oxodihydro)chalcone	Pongapinone A
0.000	[Dihydrochalcone]-A(2OH)-B(2OH, 1Geranyl)	Dihydrochalcone	2-Geranyl-3,4,2',4'-tetrahydroxydihydrochalcone
0.000	[Dihydrochalcone]-A(3OH)-B(1OH, 2(C-Prenyl))	Dihydrochalcone	4,2',4',6'-Tetrahydroxy-3,5-diprenyldihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Dihydrochalcone alpha-ol	Kanzonol Y
0.000	[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(3OH, 2(C-Prenyl))-B(none)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone	3',4',6'-Trihydroxy-2'-oxo-3',5'-diprenyldihydrochalcone
0.000	[Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH)	Dihydroflavonol	Gericudranin C
0.000	[Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH)	Dihydroflavonol	Gericudranin B
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	Flavonol	Velloquercetin 3,3',4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe)	Flavonol	Velloquercetin 3,5,3'-trimethyl ether
0.000	[Isoflavone]-A(1OH, 1(C-Prenyl))-B(2OMe, 1([@@]-Methylenedioxy))	Isoflavone	Preferrugone
0.000	[Isoflavone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Isoflavone	Pre-5-methoxydurmillone
0.000	[Rotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe)	Rotenone	Amorphigenin
0.000	[Rotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	Rotenone	Sumatrol
0.000	[Rotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Rotenone	Toxicarol
0.000	[6-Hydroxyrotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH)	6-Hydroxyrotenone	2,3,6-Trihydroxy-5''-isopropenyldihydrofurano[2'',3'':9,8]rotenone
0.000	[12a-Hydroxyrotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	12a-Hydroxyrotenone	Tephrosin
0.000	[Dehydrorotenone]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OMe)	Dehydrorotenone	Dehydrodalpanol