ピーク情報

イチョウ　葉

pos

Peak #7497 MN MID: SE205_S01_M90

m/z: 539.09756, RT: 67.74, 強度: 168800, ログ強度: 1.68, 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: (23 names) Agathisflavone;Robustaflavone;Ochnaflavone;3,3''-Biflavone, 4',4''',5,5'',7,7''-hexahydroxy-;Taiwaniaflavone;Hinokiflavone;Delicaflavone;3-[4-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenoxy]-5,7-dih...

DBごとのヒット数: ALL 20 KG 5 KN 11 HM 3 LM 1

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

DB検索結果

ppm

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
C30H18O10	538.09000	0.539	Agathisflavone	KEGG: C10017 KNApSAcK: C00001014 LipidMAPS: LMPK12040008
C30H18O10	538.09000	0.539	Robustaflavone	KEGG: C10179 KNApSAcK: C00001094 LipidMAPS: LMPK12040005
C30H18O10	538.09000	0.539	Ochnaflavone	KNApSAcK: C00006542
C30H18O10	538.09000	0.539	3,3''-Biflavone, 4',4''',5,5'',7,7''-hexahydroxy-	HMDB: HMDB0246016
C30H18O10	538.09000	0.539	Taiwaniaflavone	KNApSAcK: C00006446
C30H18O10	538.09000	0.539	Hinokiflavone	HMDB: HMDB0253172 KEGG: C10057 KNApSAcK: C00001049
C30H18O10	538.09000	0.539	Delicaflavone	KNApSAcK: C00014697
C30H18O10	538.09000	0.539		LipidMAPS: LMPK12040004
C30H18O10	538.09000	0.539	Lophirone L	KNApSAcK: C00041635
C30H18O10	538.09000	0.539	Loniflavone	KNApSAcK: C00035677
C30H18O10	538.09000	0.539	8,'8''-Bibaicalein	KNApSAcK: C00006465
C30H18O10	538.09000	0.539	3-8'-Biapigenin	HMDB: HMDB0038856 KNApSAcK: C00006431
C30H18O10	538.09000	0.539	Disulfuretin	KNApSAcK: C00014672
C30H18O10	538.09000	0.539	Lanaroflavone	KNApSAcK: C00006541
C30H18O10	538.09000	0.539	Sennidin A	HMDB: HMDB0002895 KEGG: C22590, C22591
C30H18O10	538.09000	0.539	Amentoflavone	HMDB: HMDB0030832 KEGG: C10018 KNApSAcK: C00001015, C00042224 LipidMAPS: LMPK12040009
C30H18O10	538.09000	0.539	Cassiamin B	KNApSAcK: C00032802
C30H18O10	538.09000	0.539	2-(3-(5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl)-4-hydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one	HMDB: HMDB0250236
C30H18O10	538.09000	0.539	Skyrin	KNApSAcK: C00046410 LipidMAPS: LMPK13040019
C30H18O10	538.09000	0.539	Cupressuflavone	KEGG: C10034 KNApSAcK: C00001034 LipidMAPS: LMPK12040010

MSnスペクトル情報

Level: 2, プリカーサーm/z: 539.09753

Splash: splash10-0udi-0003910000-ed6ea1b9cfaf11de0fc9

m/z	Int.	NL	Rel.Int.
403.14	16639	136	1000
377.17	3887	162	233
404.16	3674	135	220
387.19	3283	152	197
521.16	3231	18	194
413.14	2131	126	128
539.26	949	-0	57
497.16	937	42	56
522.29	905	17	54
378.14	835	161	50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Dihydroflavonol]-A(2OH, 1(C-Prenyl), 1Geranyl)-B(2OH, 1OMe)	Dihydroflavonol	Kenusanone C
0.000	[Flavan]-A(1OH, 1OMe, 1(1(O-Benzoyl)-2,4,6-Trihydroxy-3-methylstyryl))-B(none)	Flavan	8-trans-[2-(6-Benzoyloxy-4-hydroxy-2-methoxy-3-methylphenyl)ethenyl]-5-methoxyflavan-7-ol

Level: 3, プリカーサーm/z: 403.13190

Splash: splash10-052b-0009100000-5295e828bdb3a9c498e8

m/z	Int.	NL	Rel.Int.
347.12	5102	56	1000
359.10	3457	44	677
375.16	2300	28	450
403.11	1611	0	315
348.15	1073	55	210
360.14	731	43	143
376.17	517	27	101
361.06	282	42	55

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.250	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexone B
0.188	[Dihydroflavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(2OH)	Dihydroflavonol	Paraibanol
0.083	[Flavone]-A(2OMe)-B(4OMe)	Flavone	5,6,2',3',5',6'-Hexamethoxyflavone
0.083	[Flavone]-A(3OMe)-B(3OMe)	Flavone	5,6,8,3',4',5'-Hexamethoxyflavone
0.083	[Flavone]-A(2OMe)-B(4OMe)	Flavone	5,6,2',3',4',6'-Hexamethoxyflavone
0.083	[Flavone]-A(3OMe)-B(3OMe)	Flavone	5,6,7,3',4',5'-Hexamethoxyflavone
0.083	[Flavone]-A(3OMe)-B(3OMe)	Flavone	Bannamurpanisin
0.083	[Flavone]-A(4OMe)-B(2OMe)	Flavone	Nobiletin
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH)	2'-Hydroxychalcone	8-p-Coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
0.000	[CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(2OMe)	CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone	Antiarone K
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(none)	Flavanone	Calomelanol I
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH)	Flavanone	Calomelanol H
0.000	[Flavone]-A(2OH, 1(C-Xylosyl))-B(1OH)	Flavone	Cerarvensin
0.000	[Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH)	Flavone	Isomollupentin
0.000	[Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH)	Flavone	Mollupentin
0.000	[Flavone]-A(1OH, 3OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavone	7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone
0.000	[Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Cinnamoyl))	Dihydroflavonol	Pinobanksin 3-O-cinnamate
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(3OMe)	Flavonol	Myricetin hexamethyl ether
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(3OMe)	Flavonol	3,5,7,2',4',5'-Hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(2OMe)	Flavonol	Quercetagetin hexamethyl ether
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(2OMe)	Flavonol	Gossypetin hexamethyl ether
0.000	[Flavonol (3-OMe)]-A(4OMe)-B(1OMe)	Flavonol	3,5,6,7,8,4'-Hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy))	Flavonol	5-Demethylmelibentin
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy))	Flavonol	2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(2OMe, 1(3-hydroxy-3-methylbutyl))	Pterocarpan-6a-ol	Sphenostylin D
0.000	[4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none)	4-phenylcoumarin	Inophyllum E
0.000	[4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none)	4-phenylcoumarin	Tomentolide A

Level: 3, プリカーサーm/z: 377.12018

Splash: splash10-004i-0009000000-cbc7fc03ce9ec2ffa7f3

m/z	Int.	NL	Rel.Int.
377.12	1973	-0	1000
378.20	105	-1	53

FlavonoidSearch結果

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