ピーク情報

パインアップル生

pos

Peak #2174 MN MID: SE117_S070971_M90

m/z: 377.10763, RT: 36.19, 強度: 528787, ログ強度: 2.31, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: (2 names) Furaneol 4-(6-malonylglucoside);Capsazepine

DBごとのヒット数: ALL 2 HM 2

FlavonoidSearch最大スコア MS2: 0.053, MS3: -

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
C15H20O11	376.10056	-0.563	Furaneol 4-(6-malonylglucoside)	HMDB: HMDB0029778
C19H21O2N2SCl	376.10123	-2.332	Capsazepine	HMDB: HMDB0249598

MSnスペクトル情報

Level: 2, プリカーサーm/z: 377.10721

Splash: splash10-004l-0924000000-dda77d6bd7b5b3015883

m/z	Int.	NL	Rel.Int.
128.99	160544	248	1000
341.05	84539	36	526
230.93	27259	146	169
213.04	13979	164	87

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.053	[Flavonol]-A(1OH, 3OMe)-B(2OH)	Flavonol	3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone
0.053	[Flavonol]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavonol	Limocitrol
0.053	[Flavonol]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavonol	3,5,7,3'-Tetrahydroxy-6,8,4'-trimethoxyflavone
0.000	[Flavanone]-A(1OH, 2(C-Prenyl))-B(none)	Flavanone	Ovaliflavanone A
0.000	[2'-Hydroxychalcone]-A(2OH, 2(C-Prenyl))-B(none)	2'-Hydroxychalcone	Spinochalcone A
0.000	[Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe)	Flavone	5,7,3',6'-Tetrahydroxy-6,8,2'-trimethoxyflavone
0.000	[Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe)	Flavone	5,7,3',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone
0.000	[Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe)	Flavone	5,7,2',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone
0.000	[Flavanone]-A(1OH, 2OMe)-B(1OH, 2OMe)	Flavanone	5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone
0.000	[Flavanone]-A(1OH, 3OMe)-B(1OH, 1OMe)	Flavanone	5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone
0.000	[Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	3,5,7,4'-Tetrahydroxy-6,3',5'-trimethoxyflavone
0.000	[Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	3,5,7,3'-Tetrahydroxy-6,4',5'-trimethoxyflavone
0.000	[Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	Hibiscetin 8,3',5'-trimethyl ether
0.000	[Pterocarpan]-A(1OH, 2OMe)-B(1OH, 2OMe)	Pterocarpan	2,8-Dihydroxy-3,4,9,10-tetramethoxypterocarpan
0.000	[Flavanone]-A(1OH, 1OMe, 1(2-hydroxybenzyl))-B(none)	Flavanone	5-O-Methylchamanetin
0.000	[Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Benzoyl))	Dihydroflavonol	Pinobanksin 3-O-benzoate
0.000	[Dihydroflavonol]-A(2OH, 1OMe)-B(2OH)-C(1(O-Acetyl))	Dihydroflavonol	3,5,7,3',4'-Pentahydroxy-6-methoxyflavanone 3-O-acetate
0.000	[Dihydroflavonol]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Dihydroflavonol	Plumbaginol
0.000	[Flavonol (3-OMe)]-A(3OH)-B(1OH, 2OMe)	Flavonol	5,6,7,4'-Tetrahydroxy-3,3',5'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Apuleisin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,4',5'-Tetrahydroxy-3,6,2'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,2',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Hibiscetin 3,7,4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Hibiscetin 3,8,4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,2',4'-Tetrahydroxy-3,8,5'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH)	Flavonol	5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH)	Flavonol	5,6,3',4'-Tetrahydroxy-3,7,8-trimethoxyflavone
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 2OMe)-B(2OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan	Abruquinone C
0.000	[Dehydrorotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	Dehydrorotenone	Dehydromillettone

Level: 3, プリカーサーm/z: 341.11069

Splash: splash10-03di-0090000000-9fbb4d6e695bdf605d22

m/z	Int.	NL	Rel.Int.
213.09	62164	128	1000
237.06	6156	104	99
128.97	4520	212	72

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavanone	Kushenol S
[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavanone	6-Prenylnaringenin
[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavanone	Sophoraflavanone B
[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl))	Flavanone	Licoflavanone
[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none)	Dihydroflavonol	8-Prenylpinobanksin
[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none)	Dihydroflavonol	6-Prenylpinobanksin
[Flavanone]-A(1OH, 1(C-Prenyl))-B(2OH)	Flavanone	Euchrenone a7
[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH)	Isoflavanone	Dihydrowighteone
[Isoflavanone]-A(1OH, 1(C-Prenyl))-B(2OH)	Isoflavanone	7,2',4'-Trihydroxy-8-prenylisoflavanone
[2'-Hydroxychalcone]-A(2OH)-B(2OH, 1(C-Prenyl))	2'-Hydroxychalcone	Broussochalcone A
[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(2OH)	2'-Hydroxychalcone	Morachalcone A
[2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	2'-Hydroxychalcone	Psorachalcone A
[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	2'-Hydroxychalcone	Bakuchalcone
[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Bavachromanol
[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	2'-Hydroxychalcone	5-Prenyl-6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxychalcone
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Helikrausichalcone
[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	beta-Hydroxy(or Oxodihydro)chalcone	5'-Prenyllicodione
[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	beta-Hydroxy(or Oxodihydro)chalcone	Kanzonol A
[Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Dihydrochalcone	Crotin (chalcone)
[Dihydrochalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	Dihydrochalcone	2',6'-Dihydroxy-4'-methoxy-3'-prenyldihydrochalcone
[Flavanone]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	Flavanone	Brosimacutin D
[Flavanone]-A(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Flavanone	Brosimacutin E
[Flavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(none)	Flavanone	5,7-Dihydroxy-8-C-(4-hydroxy-3-methyl-2-butenyl)flavanone
[Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH)	Flavanone	5,7,4'-Trihydroxy-6-(1,1-dimethylallyl)flavanone
[Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH)	Flavanone	Ugonin E
[Flavanone]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH)	Flavanone	5,4'-Dihydroxy-4'',4''-Dimethyl-5''-[2'',3'':7,6]methyldihydrofuranoflavanone
[Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	Flavone	7-Methoxy-5,6:3',4'-bis(methylenedioxy)flavone
[CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	CCS-type derivative / [3,2']-Epoxymethanoflavone	Pulcherrimin
[Isoflavan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavan	2'-O-Methylphaseollidinisoflavan
[Isoflavan]-A(1OH, 1(1,1-Dimethylallyl))-B(1OH, 1OMe)	Isoflavan	Millinol B
[Isoflavan]-A(1OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavan	4'-O-Methylpreglabridin
[isoflavan-4-ol]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	isoflavan-4-ol	Ambanol
[Pterocarpan]-A(1OH)-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	Pterocarpan	10-(2-Hydroxy-3-methyl-3-butenyl)demethylmedicarpin
[Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan-6a-ol	Sandwicarpin
[Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan-6a-ol	Glyceocarpin
[Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan-6a-ol	Glyceollidin I
[2-Phenylbenzofuran]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH)	2-Phenylbenzofuran	Licocoumarone

Level: 3, プリカーサーm/z: 128.92899

Splash: splash10-0w29-1900000000-ba67fd17374795a51fe8

m/z	Int.	NL	Rel.Int.
100.90	13351	28	1000
110.87	10944	18	819
86.90	2737	42	205
82.87	2409	46	180