ピーク情報

マカダミアナッツいり味付け

pos

Peak #6854 MN MID: SE118_S050311_M90

m/z: 453.30038, RT: 93.82, 強度: 4727, ログ強度: 0.33, 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: (2 names) Chabrolobenzoquinone F;3-oxo-24R-hydroxy-poriferast-1,4,6,26-tetraen-18-oic acid

DBごとのヒット数: ALL 2 KN 1 LM 1

FlavonoidSearch最大スコア MS2: 0.069, MS3: 0.130

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
C29H40O4	452.29266	0.991	Chabrolobenzoquinone F	KNApSAcK: C00042369
C29H40O4	452.29266	0.991	3-oxo-24R-hydroxy-poriferast-1,4,6,26-tetraen-18-oic acid	LipidMAPS: LMST01040189

MSnスペクトル情報

Level: 2, プリカーサーm/z: 453.29916

Splash: splash10-05fu-0090400000-68d00a5004f435013777

m/z	Int.	NL	Rel.Int.
421.38	2736	32	1000
243.20	1710	210	624
257.21	1697	196	620
239.24	541	214	197
271.28	479	182	175
227.20	444	226	162
253.18	385	200	140
285.11	314	168	114
435.45	288	18	105
245.09	226	208	82
281.26	224	172	82
393.38	217	60	79
213.05	181	240	66
177.08	165	276	60
259.23	164	194	59
273.21	157	180	57

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.069	[Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(1OH, 1OMe)	Flavanone	Amoradinin
0.061	[Flavonol]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe)	Flavonol	Dorsmanin D
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4-hydroxy-5-methoxypyrano)))-B(1OH)	2'-Hydroxychalcone	Derrichalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe)	2'-Hydroxychalcone	Kushenol D
0.000	[Dihydrochalcone]-A(2OH, 1(2-Hydroxybenzyl), 1([2,3:@@]-(4-hydrochromeno)))-B(none)	Dihydrochalcone	Chamuvaritin
0.000	[Dihydrochalcone]-A(3OH, 1(C-Glu))-B(2OH)	Dihydrochalcone	Aspalathin
0.000	[Dihydrochalcone alpha-ol]-A(2OH, 1(C-Glu))-B(2OH)	Dihydrochalcone alpha-ol	Coatline B
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methoxy-4,4-dimethyl-2-oxetanylmethyl))-B(1OH)	Flavanone	Derriflavanone
0.000	[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe)	Flavanone	2'-Methoxykurarinone
0.000	[Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(2OH)	Flavanone	3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4,5-diacetoxypyrano)))-B(none)	Flavone	9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))	Flavone	Epimedokoreanin A
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl))	3-substituted Flavone	Heteroartonin A
0.000	[CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone	Artonin S
0.000	[Flavonol (3-OMe)]-A(2OH, 2(C-Prenyl))-B(2OH)	Flavonol	Broussoflavonol B
0.000	[Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH)	Flavan 3-ol	6-C-Glucopyranosylcatechin
0.000	[Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH)	Flavan 3-ol	8-C-Glucopyranosylcatechin
0.000	[Flavan 3-ol]-A(2OH, 1(C-Galactosyl))-B(2OH)	Flavan 3-ol	Catechin 8-C-beta-D-galactoside
0.000	[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH)	Flavan 3-ol	Cinchonain Ib
0.000	[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH)	Flavan 3-ol	Cinchonain Ic
0.000	[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Coumaroyl))	Flavan 3-ol	Gallocatechin 3-O-p-coumarate

Level: 3, プリカーサーm/z: 243.19629

Splash: splash10-004i-0090000000-ce36113a6b2d17f0700f

m/z	Int.	NL	Rel.Int.
228.13	663	15	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Isoflavan]-A(1OH)-B(1OH)	Isoflavan	Equol
[Dihydrochalcone]-A(2OH)-B(none)	Dihydrochalcone	2',4'-Dihydroxydihydrochalcone
[Flavan]-A(1OH)-B(1OH)	Flavan	7,4'-Dihydroxyflavan
[Flavan]-A(2OH)-B(none)	Flavan	5,7-Dihydroxyflavan
[2-Phenylbenzofuran]-A(1OH)-B(2OH)	2-Phenylbenzofuran	6,2',4'-Trihydroxy-2-phenylbenzofuran

Level: 3, プリカーサーm/z: 421.37613

Splash: splash10-000i-0090000000-3c9efef694bf2afbdeb2

m/z	Int.	NL	Rel.Int.
239.16	497	182	1000
253.12	240	168	482
227.17	183	194	368
267.18	157	154	315
393.47	137	28	275
281.23	44	140	89
241.24	41	180	82
213.08	40	208	80
225.01	35	196	70
255.20	33	166	65

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.130	[Flavonol]-A(1OH, 3OMe)-B(1OH, 2OMe)	Flavonol	3-Demethyldigicitrin
0.053	[Flavanone]-A(2OH)-B(2([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sanggenol O
0.032	[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Isoflavone	7-O-Methylisolupalbigenin
0.000	[Flavanone]-A(1OH, 2(C-Prenyl))-B(1([@@]-Methylenedioxy))	Flavanone	Ovaliflavanone D
0.000	[Flavanone]-A(2OH)-B(1OMe, 1(C-Prenyl), 1(3-methylbutadienyl))	Flavanone	Burttinonedehydrate
0.000	[Flavone]-A(1([2,3:@@]-(8,8-Dimethyl-9-acetoxy-6-oxo-1,7-dioxaspiro[4,4]non-2-ene)))-B(none)	Flavone	Glabratephrin
0.000	[Flavone]-A(2OMe, 1(5-Methoxy-6-methyl-4-oxo-4H-pyran-3-yl))-B(none)	Flavone	5-O-Methylhoslundin
0.000	[Flavone]-A(2OMe, 1(5-Methoxy-6-methyl-4-oxo-4H-pyran-2-yl))-B(none)	Flavone	Oppositin
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(4-(2-Acetoxy-2-methylpropylidene)-5-oxofurano)))-B(none)	Flavone	Tephrorianin
0.000	[Flavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-hydroxy-3-methyl-3-butenyl))	Flavone	Yinyanghuo A
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	3-substituted Flavone	Morusin
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	Flavone	Brosimone G
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	3-substituted Flavone	Kuwanon B
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	3-substituted Flavone	Kuwanon A
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	Flavone	Australone A
0.000	[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(3-Methyl-1-butenyl))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Brosimone I
0.000	[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cyclomulberrin
0.000	[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Isocyclomulberrin
0.000	[Flavonol]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavonol	Macaflavone I
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH, 1OMe)	Flavonol	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe)	Flavonol	5,7,4'-Trihydroxy-3,6,8,3',5'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe)	Flavonol	5,7,3'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH, 1OMe)	Flavonol	5,4',5'-Trihydroxy-3,6,7,8,2'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe)	Flavonol	5,7,4'-Trihydroxy-3,6,8,2',5'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 2OMe)	Flavonol	5,7,2'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone
0.000	[Flavan 3-ol]-A(1OMe, 1([7,8:@@]-(5,6-Dihydro-2-hydroxynaphthaleno)))-B(1OH, 1OMe)	Flavan 3-ol	Shanciol
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexone C
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexin D
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	Isoflavone	Euchrenone b8
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	Isoflavone	Euchrenone b9
0.000	[Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Pomiferin
0.000	[Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Auriculasin
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Gancaonin H
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Angustone B
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1(C-Prenyl))	Isoflavone	Angustone C
0.000	[Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Auriculatin
0.000	[Isoflavan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH, 1([@@]-Methylenedioxy))	Isoflavan	Nitidulan
0.000	[Pterocarpan]-A(1OH, 1Geranyl)-B(1([@@]-Methylenedioxy))	Pterocarpan	Nitiducol
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl))	Pterocarpan	Gangetin
0.000	[Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Coumaranochromon	Lupinalbin F
0.000	[alpha-Phenylcoumarinic acid]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none)	alpha-Phenylcoumarinic acid	Calophyllic acid