ピーク情報

（かんきつ類）レモン全果生

pos

Peak #7974 MN MID: SE123_S071551_M90

m/z: 557.18038, RT: 96.62, 強度: 11126, ログ強度: 0.51, 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: Claussequinone-(4->5')-vestitol

DBごとのヒット数: ALL 1 KN 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.100

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
C32H28O9	556.17333	-0.407	Claussequinone-(4->5')-vestitol	KNApSAcK: C00006576
C26H33O11Cl	556.17114	3.535		LipidMAPS: LMPR0104230005

MSnスペクトル情報

Level: 2, プリカーサーm/z: 557.18018

Splash: splash10-000i-0090730000-4986c33e39e0e7aff311

m/z	Int.	NL	Rel.Int.
489.18	2514	68	1000
287.07	1773	270	705
501.09	1428	56	568
271.17	822	286	326
203.02	613	354	243
355.20	373	202	148
215.07	345	342	137
488.28	318	69	126

Level: 3, プリカーサーm/z: 489.15485

Splash: splash10-0udr-0090000000-d424d1ea331673cc507f

m/z	Int.	NL	Rel.Int.
202.96	1214	286	1000
287.16	672	202	553
269.21	155	220	127
174.98	73	314	60

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(1OH, 1Methyl, 1([2,3:@@]-(4-Isopropyl-6,6,8,8-tetramethyl-5,7-dioxy-4,8-dihydrochromeno)))-B(none)	Flavanone	Lumaflavanone A
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Amorin
[Flavanone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Flemichin A
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Euchrenone a11
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Euchrenone a12
[Flavone]-A(1OH, 1OMe, 1(1(O-Acetyl)-C-Glu))-B(1OH)	Flavone	Isoswertisin 2''-O-acetate
[3-substituted Flavone (3-Geranyl)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	3-substituted Flavone	Rubraflavone D
[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	3-substituted Flavone	Sanggenone K
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 2(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Artelastin
[Flavonol]-A(2OH, 2(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavonol	Dorsilurin C

Level: 3, プリカーサーm/z: 287.06464

Splash: splash10-0udi-0090000000-8e603fef0613d8904395

m/z	Int.	NL	Rel.Int.
203.00	1080	84	1000
202.01	150	85	138
201.03	144	86	132
225.17	71	62	65
215.15	61	72	56

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.100	[Dihydroflavonol (3-OMe)]-A(2OH)-B(none)	Dihydroflavonol	Pinobanksin 3-methyl ether
0.091	[Dihydroflavonol]-A(1OH, 1OMe)-B(none)	Dihydroflavonol	Pinobanksin 5-methyl ether
0.091	[Dihydroflavonol]-A(1OH, 1OMe)-B(none)	Dihydroflavonol	Alpinone
0.077	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Kukulkanin B
0.077	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	2,2',6'-Trihydroxy-4'-methoxychalcone
0.077	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	2,2',4'-Trihydroxy-6'-methoxychalcone
0.077	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Neosakuranetin
0.077	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Helichrysetin
0.077	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(2OH)	2'-Hydroxychalcone	Calythropsin
0.077	[2'-Hydroxychalcone]-A(3OH)-B(1OMe)	2'-Hydroxychalcone	2',4',6'-Trihydroxy-4-methoxychalcone
0.077	[2'-Hydroxychalcone]-A(3OH, 1OMe)-B(none)	2'-Hydroxychalcone	2',3',4'-dihydroxy-6'-methoxychalcone
0.077	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	Homobutein
0.077	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	3,2',4'-Trihydroxy-4-methoxychalcone
0.067	[Anthocyanidin]-A(2OH)-B(2OH)	Anthocyanidin	Cyanidin
0.067	[Anthocyanidin]-A(3OH)-B(1OH)	Anthocyanidin	Aurantinidin
0.067	[Flavanone]-A(2OH)-B(1OMe)	Flavanone	5,6-Dihydroxy-4'-methoxyflavanone
0.067	[Flavanone]-A(2OH)-B(1OMe)	Flavanone	Isosakuranetin
0.067	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	5-Methoxydihydrobaicalein
0.067	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	Dihydrooroxylin A
0.067	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	5,8-Dihydroxy-7-methoxyflavanone
0.067	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	Dihydrowogonin
0.067	[Flavanone]-A(1OH, 1OMe)-B(1OH)	Flavanone	Dihydroechioidinin
0.067	[Flavanone]-A(1OH, 1OMe)-B(1OH)	Flavanone	Naringenin 5-methyl ether
0.067	[Flavanone]-A(1OH, 1OMe)-B(1OH)	Flavanone	Sakuranetin
0.063	[Isoflavone]-A(2OH)-B(2OH)	Isoflavone	7,8,2',4'-Tetrahydroxyisoflavone
0.063	[Isoflavone]-A(2OH)-B(2OH)	Isoflavone	Orobol
0.063	[Isoflavone]-A(2OH)-B(2OH)	Isoflavone	2'-Hydroxygenistein
0.063	[Isoflavone]-A(1OH)-B(3OH)	Isoflavone	Baptigenin
0.063	[Isoflavone]-A(3OH)-B(1OH)	Isoflavone	6-Hydroxygenistein
0.048	[Flavonol]-A(2OH)-B(1OH)	Flavonol	Datiscetin
0.048	[Flavonol]-A(3OH)-B(none)	Flavonol	6-Hydroxygalangin
0.048	[Flavonol]-A(3OH)-B(none)	Flavonol	8-Hydroxygalangin
0.045	[Flavonol]-A(2OH)-B(1OH)	Flavonol	3,7,8,4'-Tetrahydroxyflavone
0.045	[Flavonol]-A(2OH)-B(1OH)	Flavonol	Kaempferol
0.045	[Flavonol]-A(1OH)-B(2OH)	Flavonol	Fisetin
0.000	[Flavone]-A(1OH)-B(3OH)	Flavone	7,3',4',5'-Tetrahydroxyflavone
0.000	[Flavone]-A(2OH)-B(2OH)	Flavone	5,7,2',5'-Tetrahydroxyflavone
0.000	[Flavone]-A(2OH)-B(2OH)	Flavone	5,7,2',6'-Tetrahydroxyflavone
0.000	[Flavone]-A(2OH)-B(2OH)	Flavone	5,7,2',3'-Tetrahydroxyflavone
0.000	[Flavone]-A(2OH)-B(2OH)	Flavone	Luteolin
0.000	[Flavone]-A(2OH)-B(2OH)	Flavone	Norartocarpetin
0.000	[Flavone]-A(3OH)-B(1OH)	Flavone	5,6,7,2'-Tetrahydroxyflavone
0.000	[Flavone]-A(3OH)-B(1OH)	Flavone	Scutellarein
0.000	[Flavone]-A(3OH)-B(1OH)	Flavone	5,7,8,2'-Tetrahydroxyflavone
0.000	[Flavone]-A(3OH)-B(1OH)	Flavone	Isoscutellarein
0.000	[Chalcone]-A(1OH)-B(2OH, 1OMe)	Chalcone	Licochalcone B
0.000	[Chalcone]-A(1OH, 1OMe)-B(2OH)	Chalcone	Sappanchalcone
0.000	[Dihydroflavonol]-A(1OH)-B(1OMe)	Dihydroflavonol	Garbanzol 4'-methyl ether
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(none)	Dihydroflavonol	3,7-Dihydroxy-6-methoxyflavanone
0.000	[Isoflavan]-A(1OH)-B(2OMe)	Isoflavan	Sativan
0.000	[Isoflavan]-A(1OMe)-B(1OH, 1OMe)	Isoflavan	Isosativan
0.000	[Isoflavan]-A(1OMe)-B(1OH, 1OMe)	Isoflavan	Arvensan
0.000	[Dihydrochalcone]-A(1OH, 2OMe)-B(none)	Dihydrochalcone	Dihydroflavokawin B
0.000	[Dihydrochalcone]-A(2OMe)-B(1OH)	Dihydrochalcone	4-Hydroxy-2',4'-dimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH)-B(2OMe)	Dihydrochalcone	4'-Hydroxy-2,6-dimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH)-B(2OMe)	Dihydrochalcone	Loureirin A
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1OH)	Pterocarpan	Melilotocarpan B
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1OH)	Pterocarpan	Desmocarpin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Nissolin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Vesticarpan
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Kushenin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	3,8-Dihydroxy-9-methoxypterocarpan
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Nissicarpin
0.000	[Pterocarpan]-A(2OH)-B(1OMe)	Pterocarpan	4-Hydroxymedicarpin
0.000	[Isoflavanone]-A(2OH)-B(1OMe)	Isoflavanone	Dihydrobiochanin A
0.000	[Isoflavanone]-A(1OH)-B(1OH, 1OMe)	Isoflavanone	3'-Hydroxydihydroformononetin
0.000	[Isoflavanone]-A(1OH)-B(1OH, 1OMe)	Isoflavanone	Vestitone
0.000	[Aurone]-A(2OH)-B(2OH)	Aurone	Maritimetin
0.000	[Aurone]-A(2OH)-B(2OH)	Aurone	Aureusidin
0.000	[Aurone]-A(3OH)-B(1OH)	Aurone	Helmon
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1OMe)-B(1OH)	beta-Hydroxy(or Oxodihydro)chalcone	Licodione 2'-methyl ether
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	2',6',beta-Trihydroxy-4'-methoxychalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	2',4',beta-Trihydroxy-6'-methoxychalcone
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone]-A(2OH)-B(1OH)	UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone	4,4',6'-Trihydroxy-[2',5']-benzoquinonechalcone
0.000	[UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone]-A(2OMe)-B(none)	UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone	Linderone
0.000	[Dihydrochalcone]-A(2OH)-B(1([@@]-Methylenedioxy))	Dihydrochalcone	2',4'-Dihydroxy-3,4-methylenedioxydihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(none)	Dihydrochalcone	Myrigalone H
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(none)	Dihydrochalcone	2',6'-Dihydroxy-4'-methoxy-3'-methyldihydrochalcone
0.000	[Dihydrochalcone]-A(3OH, 1Formyl)-B(none)	Dihydrochalcone	3'-Formyl-2',4',6'-trihydroxydihydrochalcone
0.000	[Flavanone]-A(2OH, 1Methyl)-B(1OH)	Flavanone	Poriol
0.000	[3-substituted Flavanone (3-Methyl)]-A(2OH)-B(1OH)	3-substituted Flavanone	3-Methylnaringenin
0.000	[Dihydroflavonol]-A(2OH, 1Methyl)-B(none)	Dihydroflavonol	6-Methypinobanksin
0.000	[Flavan 3-ol]-A(1OMe, 1Methyl)-B(1OH)	Flavan 3-ol	Tupichinol A
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavan]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavan	Peltogynan
0.000	[Flavan]-A(1OMe)-B(1OH, 1OMe)	Flavan	4'-Hydroxy-7,3'-dimethoxyflavan
0.000	[Flavan]-A(1OH, 1Methyl)-B(1OH, 1OMe)	Flavan	7,3'-Dihydroxy-4'-methoxy-8-methylflavan
0.000	[Flavan]-A(1OH, 1Methyl)-B(1OH, 1OMe)	Flavan	7,4'-Dihydroxy-3'-methoxy-8-methylflavan
0.000	[Flavan]-A(1OH, 1OMe)-B(1OMe)	Flavan	7-Hydroxy-5,4'-dimethoxyflavan
0.000	[Flavan]-A(1OH, 1OMe)-B(1OMe)	Flavan	5-Hydroxy-7,4'-dimethoxyflavan
0.000	[Flavan]-A(2OMe)-B(1OH)	Flavan	4'-Hydroxy-5,7-dimethoxyflavan
0.000	[Flavan]-A(1OH, 1OMe, 1Methyl)-B(1OH)	Flavan	5,4'-Dihydroxy-7'-methoxy-8-methylflavan
0.000	[3-DehydroxyAnthocyanidin]-A(2OH)-B(3OH)	3-DehydroxyAnthocyanidin	Tricetinidin
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH)-B(1OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan	Claussequinone
0.000	[isoflavene]-A(1OH)-B(2OH, 1OMe)	isoflavene	Sepiol
0.000	[isoflavene]-A(1OH)-B(2OH, 1OMe)	isoflavene	Haginin C
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1OMe)	Pterocarpan-6a-ol	6a-Hydroxymedicarpin
0.000	[Pterocarpan-6a-ol]-A(1OMe)-B(1OH)	Pterocarpan-6a-ol	6a-Hydroxyisomedicarpin
0.000	[2-Phenylbenzofuran]-A(1OH, 1OMe)-B(1OH, 1OMe)	2-Phenylbenzofuran	Sainfuran
0.000	[2-Phenylbenzofuran]-A(2OMe)-B(2OH)	2-Phenylbenzofuran	2',4'-Dihydroxy-5,6-dimethoxy-2-phenylbenzofuran
0.000	[2-Phenylbenzofuran]-A(1OH)-B(1OH, 2OMe)	2-Phenylbenzofuran	Pterofuran
0.000	[2-Phenylbenzofuran]-A(1OH)-B(1OH, 2OMe)	2-Phenylbenzofuran	Isopterofuran
0.000	[alpha-Methyldeoxybenzoin]-A(1OH, 1OMe)-B(1OMe)	alpha-Methyldeoxybenzoin	2-O-Methylangolensin
0.000	[alpha-Methyldeoxybenzoin]-A(1OH, 1OMe)-B(1OMe)	alpha-Methyldeoxybenzoin	4-O-Methylangolensin
0.000	[4-phenylcoumarin]-A(2OH)-B(2OH)	4-phenylcoumarin	5,7,3',4'-Tetrahydroxy-4-phenylcoumarin
0.000	[[3,2']-Methano-4-phenylchroman (3-OH)]-A(1OH)-B(2OH)	[3,2']-Methano-4-phenylchroman	Brazilin
0.000	[Dalbergiquinol]-A(1OH, 2OMe)-B(1OH)	Dalbergiquinol	Latifolin
0.000	[Dalbergiquinol]-A(1OH, 2OMe)-B(1OH)	Dalbergiquinol	5,3'-Dihydroxy-2,4-dimethoxydalbergiquinol
0.000	[Dalbergiquinol]-A(2OH, 2OMe)-B(none)	Dalbergiquinol	2,5-Dihydroxy-3,4-dimethoxydalbergiquinol