ピーク情報

リーフレタスグリーン

pos

Peak #5416 MN MID: SE198_S12_M90

m/z: 611.16124, RT: 40.17, 強度: 30885, ログ強度: 0.99, アダクト: [M+IsoProp+H]+, 共有数（同様のピークを含むサンプル数）: 11

DB検索結果: (8 names) Delphinidin 3-(6''-malonylglucoside);6-Hydroxycyanidin 3-(6-malonylglucoside);Myricetin 3-(4''-malonylrhamnoside);3-[[4-O-(Carboxyacetyl)-6-deoxy-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-tri...

DBごとのヒット数: ALL 7 KG 2 KN 3 HM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.250

安定同位体ラベル実験で見積もられた原子数:

N: 0

S: 0

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
C24H22O15	550.09587	1.049	Delphinidin 3-(6''-malonylglucoside)	FlavonoidViewer: [1]FL7AAGGL0016 HMDB: [1]HMDB0029247 KEGG: [1]C16301 KNApSAcK: [1]C00006877 LipidMAPS: [1]LMPK12010292
C24H22O15	550.09587	1.049	Myricetin 3-(4''-malonylrhamnoside)	FlavonoidViewer: FL5FAGGS0027 KNApSAcK: C00013969 LipidMAPS: LMPK12112459
C24H22O15	550.09587	1.049	6-Hydroxycyanidin 3-(6-malonylglucoside)	FlavonoidViewer: [1]FL7AECGL0003 KNApSAcK: [1]C00014757 LipidMAPS: [1]LMPK12010427
C24H22O15	550.09587	1.049	Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)	FlavonoidViewer: FL5FACGA0028, FL5FACGL0054 HMDB: HMDB0037368 KEGG: C12638 KNApSAcK: C00005947, C00005956 LipidMAPS: LMPK12112068, LMPK12112139
C24H22O15	550.09587	1.049	delphinidin 3-O-(6''-O-malonyl)-beta-glucoside	HMDB: [-1]HMDB0304327
C24H22O15	550.09587	1.049	6-Hydroxyluteolin 7-(6''-malonylglucoside)	FlavonoidViewer: FL3FECGS0020 KNApSAcK: C00004395 LipidMAPS: LMPK12111193
C18H23O14N4P	550.09484	2.922	Uricase	HMDB: [f]HMDB0302660

MSnスペクトル情報

Level: 2, プリカーサーm/z: 611.16125

Splash: splash10-0002-0030900000-4a4405049595a87a0dcb

m/z	Int.	NL	Rel.Int.
449.10	15802	162	1000
287.10	5577	324	352

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 2(C-Glu))-B(2OH)	Flavone	Lucenin 2
[Isoflavone]-A(2OH, 2(C-Glu))-B(2OH)	Isoflavone	Orobol 6,8-di-C-glucoside
[Flavone]-A(2OH, 1(1(O-(E)-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-(E)-caffeate
[Flavone]-A(2OH, 1(1(O-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 6''-O-caffeate
[Flavone]-A(2OH, 1((O-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-caffeate
[Flavone]-A(2OH, 1(1(O-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Orientin 2''-O-caffeate

Level: 3, プリカーサーm/z: 449.07666

Splash: splash10-000i-0090000000-ba0ef5686d8549a72d4b

m/z	Int.	NL	Rel.Int.
287.08	12162	162	1000

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(4OMe)-B(1OH, 3OMe)	Flavone	Agehoustin C
[Chalcone]-A(4OMe)-B(4OMe)	Chalcone	2,3,4,5,2',3',4',6'-Octamethoxychalcone
[Anthocyanidin]-A(2OH, 1(C-Glu))-B(2OH)	Anthocyanidin	8-C-Glucosylcyanidin
[Flavone]-A(2OH, 1(C-Glu))-B(2OH)	Flavone	Isoorientin
[Flavone]-A(2OH, 1(C-Glu))-B(2OH)	Flavone	Orientin
[Flavonol]-A(1OH, 1(C-Glu))-B(2OH)	Flavonol	Fisetin 8-C-glucoside
[Flavonol]-A(2OH, 1(C-Glu))-B(1OH)	Flavonol	6-C-Glucopyranosylkaempferol
[Flavonol]-A(2OH, 1(C-Glu))-B(1OH)	Flavonol	8-C-beta-D-Glucopyranosylkaempferol
[Isoflavone]-A(2OH, 1(C-Glu))-B(2OH)	Isoflavone	6-C-Glucosylorobol
[Isoflavone]-A(2OH, 1(C-Glu))-B(2OH)	Isoflavone	8-C-Glucosylorobol
[Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH)	Flavone	6-C-Galactosylluteolin
[Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH)	Flavone	8-C-Galactosylluteolin
[Flavone]-A(3OH, 1(C-Galactosyl))-B(1OH)	Flavone	6-C-Galactosylisoscutellarein
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cycloartomunin
[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe)	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artomunoxanthone
[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1OMe)-B(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artonol E
[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Cycloartomunoxanthone
[UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone	Artonin P
[Flavonol (3-OMe)]-A(4OMe)-B(1OH, 2OMe)	Flavonol	3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone
[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	4-Hydroxy-3-phenylcoumarin	Lonchocarpenin

Level: 3, プリカーサーm/z: 287.10721

Splash: splash10-000i-0190000000-d149376693012bfc9d7f

m/z	Int.	NL	Rel.Int.
287.18	361	-0	1000
152.89	55	134	151
241.01	33	46	92
219.16	23	68	63
244.99	20	42	55

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.250	[Flavone]-A(1OH)-B(3OH)	Flavone	7,3',4',5'-Tetrahydroxyflavone
0.250	[Flavone]-A(2OH)-B(2OH)	Flavone	5,7,2',5'-Tetrahydroxyflavone
0.250	[Flavone]-A(2OH)-B(2OH)	Flavone	5,7,2',6'-Tetrahydroxyflavone
0.250	[Flavone]-A(2OH)-B(2OH)	Flavone	5,7,2',3'-Tetrahydroxyflavone
0.250	[Flavone]-A(2OH)-B(2OH)	Flavone	Luteolin
0.250	[Flavone]-A(2OH)-B(2OH)	Flavone	Norartocarpetin
0.250	[Dihydroflavonol (3-OMe)]-A(2OH)-B(none)	Dihydroflavonol	Pinobanksin 3-methyl ether
0.222	[Dihydroflavonol]-A(1OH, 1OMe)-B(none)	Dihydroflavonol	Pinobanksin 5-methyl ether
0.222	[Dihydroflavonol]-A(1OH, 1OMe)-B(none)	Dihydroflavonol	Alpinone
0.182	[2'-Hydroxychalcone]-A(3OH)-B(1OMe)	2'-Hydroxychalcone	2',4',6'-Trihydroxy-4-methoxychalcone
0.182	[Isoflavanone]-A(1OH)-B(1OH, 1OMe)	Isoflavanone	3'-Hydroxydihydroformononetin
0.182	[Isoflavanone]-A(1OH)-B(1OH, 1OMe)	Isoflavanone	Vestitone
0.182	[Isoflavanone]-A(2OH)-B(1OMe)	Isoflavanone	Dihydrobiochanin A
0.167	[Flavonol]-A(2OH)-B(1OH)	Flavonol	Datiscetin
0.167	[Flavonol]-A(3OH)-B(none)	Flavonol	6-Hydroxygalangin
0.167	[Flavonol]-A(3OH)-B(none)	Flavonol	8-Hydroxygalangin
0.158	[Flavonol]-A(2OH)-B(1OH)	Flavonol	3,7,8,4'-Tetrahydroxyflavone
0.158	[Flavonol]-A(2OH)-B(1OH)	Flavonol	Kaempferol
0.154	[Flavone]-A(3OH)-B(1OH)	Flavone	5,6,7,2'-Tetrahydroxyflavone
0.154	[Flavone]-A(3OH)-B(1OH)	Flavone	Scutellarein
0.154	[Flavone]-A(3OH)-B(1OH)	Flavone	5,7,8,2'-Tetrahydroxyflavone
0.154	[Flavone]-A(3OH)-B(1OH)	Flavone	Isoscutellarein
0.154	[Flavanone]-A(2OH)-B(1OMe)	Flavanone	5,6-Dihydroxy-4'-methoxyflavanone
0.154	[Flavanone]-A(2OH)-B(1OMe)	Flavanone	Isosakuranetin
0.143	[Dihydroflavonol]-A(1OH)-B(1OMe)	Dihydroflavonol	Garbanzol 4'-methyl ether
0.143	[Dihydroflavonol]-A(1OH, 1OMe)-B(none)	Dihydroflavonol	3,7-Dihydroxy-6-methoxyflavanone
0.143	[Isoflavone]-A(2OH)-B(2OH)	Isoflavone	7,8,2',4'-Tetrahydroxyisoflavone
0.143	[Isoflavone]-A(2OH)-B(2OH)	Isoflavone	Orobol
0.143	[Isoflavone]-A(2OH)-B(2OH)	Isoflavone	2'-Hydroxygenistein
0.111	[Pterocarpan]-A(1OH, 1OMe)-B(1OH)	Pterocarpan	Melilotocarpan B
0.111	[Pterocarpan]-A(1OH, 1OMe)-B(1OH)	Pterocarpan	Desmocarpin
0.111	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Nissolin
0.111	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Vesticarpan
0.111	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Kushenin
0.111	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	3,8-Dihydroxy-9-methoxypterocarpan
0.111	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Nissicarpin
0.100	[Flavonol]-A(1OH)-B(2OH)	Flavonol	Fisetin
0.083	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Kukulkanin B
0.083	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	2,2',6'-Trihydroxy-4'-methoxychalcone
0.083	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	2,2',4'-Trihydroxy-6'-methoxychalcone
0.083	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Neosakuranetin
0.083	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Helichrysetin
0.083	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(2OH)	2'-Hydroxychalcone	Calythropsin
0.083	[2'-Hydroxychalcone]-A(3OH, 1OMe)-B(none)	2'-Hydroxychalcone	2',3',4'-dihydroxy-6'-methoxychalcone
0.083	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	Homobutein
0.083	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	3,2',4'-Trihydroxy-4-methoxychalcone
0.071	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	5-Methoxydihydrobaicalein
0.071	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	Dihydrooroxylin A
0.071	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	5,8-Dihydroxy-7-methoxyflavanone
0.071	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	Dihydrowogonin
0.071	[Flavanone]-A(1OH, 1OMe)-B(1OH)	Flavanone	Dihydroechioidinin
0.071	[Flavanone]-A(1OH, 1OMe)-B(1OH)	Flavanone	Naringenin 5-methyl ether
0.071	[Flavanone]-A(1OH, 1OMe)-B(1OH)	Flavanone	Sakuranetin
0.071	[Chalcone]-A(1OH)-B(2OH, 1OMe)	Chalcone	Licochalcone B
0.071	[Chalcone]-A(1OH, 1OMe)-B(2OH)	Chalcone	Sappanchalcone
0.071	[Anthocyanidin]-A(2OH)-B(2OH)	Anthocyanidin	Cyanidin
0.071	[Anthocyanidin]-A(3OH)-B(1OH)	Anthocyanidin	Aurantinidin
0.067	[Isoflavone]-A(1OH)-B(3OH)	Isoflavone	Baptigenin
0.067	[Isoflavone]-A(3OH)-B(1OH)	Isoflavone	6-Hydroxygenistein
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(2OH)-B(1OMe)	Pterocarpan	4-Hydroxymedicarpin
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