ピーク情報

＜茶類＞（緑茶類）せん茶浸出液

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Peak #3074 MN MID: SE119_S160371_M90

m/z: 499.12324, RT: 47.14, 強度: 5833, ログ強度: 0.42, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 22

DB検索結果: (13 names) 2'',6''-Di-O-Acetyl isovitexin;2'',4''-Diacetylafzelin;Formononetin 7-(6''-malonylglucoside);Isochlorogenic acid b;1,3-Dicaffeoylquinic acid;3'',4''-Diacetylcosmosiin;3'',4''-Diacetylafzelin;Daidzein ...

DBごとのヒット数: ALL 12 KG 3 KN 9

FlavonoidSearch最大スコア MS2: -, MS3: 0.083

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
C25H24O12	516.12678	-0.485	2'',6''-Di-O-Acetyl isovitexin	FlavonoidViewer: FL3FAACS0080 KNApSAcK: C00014079 LipidMAPS: LMPK12110270
C25H24O12	516.12678	-0.485	Kaempferol 3-(2'',4''-diacetylrhamnoside)	FlavonoidViewer: FL5FAAGS0052 HMDB: HMDB0040138 KNApSAcK: C00005865 LipidMAPS: LMPK12111888
C25H24O12	516.12678	-0.485	Formononetin 7-O-(6-O-malonyl-beta-D-glucoside)	FlavonoidViewer: FLIA1AGS0008 HMDB: HMDB0029493 KEGG: C16222 KNApSAcK: C00010083 LipidMAPS: LMPK12050020
C25H24O12	516.12678	-0.485	Isochlorogenic acid b	HMDB: HMDB0030705, HMDB0030707, HMDB0253617, HMDB0304637 KEGG: C10468 KNApSAcK: C00002751, C00029480, C00029520, C00034768
C25H24O12	516.12678	-0.485	1,3-Dicaffeoylquinic acid	HMDB: HMDB0029279, HMDB0030093, HMDB0242355 KEGG: C10445 KNApSAcK: C00002733, C00044046
C25H24O12	516.12678	-0.485	Apigenin 7-(3'',4''-diacetylglucoside)	FlavonoidViewer: FL3FAAGS0049 HMDB: HMDB0037344 KNApSAcK: C00004189 LipidMAPS: LMPK12110383
C25H24O12	516.12678	-0.485	Kaempferol 3-(3'',4''-diacetylrhamnoside)	FlavonoidViewer: FL5FAAGS0053 HMDB: HMDB0040139 KNApSAcK: C00005866 LipidMAPS: LMPK12111889
C25H24O12	516.12678	-0.485	Daidzein 7-O-(6''-succinylglucoside)	KNApSAcK: C00019756
C25H24O12	516.12678	-0.485	Apigenin 7-(2'',3''-diacetylglucoside)	FlavonoidViewer: FL3FAAGS0048 HMDB: HMDB0037343 KNApSAcK: C00004188 LipidMAPS: LMPK12110382
C25H24O12	516.12678	-0.485	(+)-Vitisin B	HMDB: [1]HMDB0036825 KNApSAcK: [1]C00052491
C25H24O12	516.12678	-0.485	1,4-Bis-(3,4-dihydroxycinnamoyl)quinic acid	HMDB: HMDB0034766, HMDB0250259 KNApSAcK: C00055091
C25H24O12	516.12678	-0.485	3,5-Dicaffeoylquinate	HMDB: HMDB0029280 KEGG: C22991 KNApSAcK: C00029481, C00033559

MSnスペクトル情報

Level: 2, プリカーサーm/z: 499.12274

Splash: splash10-02t9-0809000000-fa1d035ec99739dba82c

m/z	Int.	NL	Rel.Int.
319.06	3450	180	1000
162.90	3227	336	935

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone	Artonol D
0.000	[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-<5-(3,4-Dihydroxyphenyl)-3-hydroxypentanoyl>))	Flavan 3-ol	Phylloflavan

Level: 3, プリカーサーm/z: 319.05588

Splash: splash10-03di-0900000000-fd75548fb8c89e5eb52f

m/z	Int.	NL	Rel.Int.
162.98	1916	156	1000
144.95	119	174	62

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.083	[Flavanone]-A(2OH, 1OMe)-B(2OH)	Flavanone	5,7,2',5'-Tetrahydroxy-6-methoxyflavanone
0.083	[Flavanone]-A(2OH, 1OMe)-B(2OH)	Flavanone	6-Methoxyeriodictyol
0.083	[Flavanone]-A(2OH, 1OMe)-B(2OH)	Flavanone	8-Methoxyeriodictyol
0.000	[Flavone]-A(3OH)-B(3OH)	Flavone	5,6,7,3',4',5'-Hexahydroxyflavone
0.000	[Flavone]-A(3OH)-B(3OH)	Flavone	5,7,8,3',4',5'-Hexahydroxyflavone
0.000	[Flavone]-A(4OH)-B(2OH)	Flavone	Bitalgenin
0.000	[Dihydroflavonol (3-OMe)]-A(2OH)-B(2OH)	Dihydroflavonol	Taxifolin 3-methyl ether
0.000	[Anthocyanidin]-A(3OH)-B(3OH)	Anthocyanidin	6-Hydroxydelphinidin
0.000	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)	Dihydroflavonol	3,5,7,4'-Tetrahydroxy-6-methoxyflavanone
0.000	[Dihydroflavonol]-A(2OH)-B(1OH, 1OMe)	Dihydroflavonol	Dihydroisorhamnetin
0.000	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)	Dihydroflavonol	3,5,7,4'-Tetrahydroxy-8-methoxyflavanone
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(2OH)	Dihydroflavonol	8-Methoxyfustin
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(2OH)	Dihydroflavonol	3,5,2',3'-Tetrahydroxy-7-methoxyflavanone
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(2OH)	Dihydroflavonol	Taxifolin 5-methyl ether
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(2OH)	Dihydroflavonol	Padmatin
0.000	[Dihydroflavonol]-A(2OH)-B(1OH, 1OMe)	Dihydroflavonol	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
0.000	[Dihydroflavonol]-A(2OH)-B(1OH, 1OMe)	Dihydroflavonol	Taxifolin 4'-methyl ether
0.000	[Dihydroflavonol]-A(1OH)-B(2OH, 1OMe)	Dihydroflavonol	Sepinol
0.000	[Flavanone]-A(3OH)-B(1OH, 1OMe)	Flavanone	8-Hydroxyhesperetin
0.000	[Isoflavan]-A(2OH)-B(1OH, 2OMe)	Isoflavan	Bryaflavan
0.000	[Isoflavan]-A(2OH)-B(1OH, 2OMe)	Isoflavan	8-Demethylduartin
0.000	[Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavan 3-ol	Catechin 5,3'-dimethyl ether
0.000	[Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavan 3-ol	Catechin 7,4'-dimethyl ether
0.000	[Flavan 3-ol]-A(2OH)-B(2OMe)	Flavan 3-ol	Catechin 3',4'-dimethyl ether
0.000	[Flavonol]-A(4OH)-B(1OH)	Flavonol	3,5,6,7,8,4'-Hexahydroxyflavone
0.000	[Flavonol]-A(3OH)-B(2OH)	Flavonol	Quercetagetin
0.000	[Flavonol]-A(3OH)-B(2OH)	Flavonol	Gossypetin
0.000	[Flavonol]-A(2OH)-B(3OH)	Flavonol	3,5,8,3',4',5'-Hexahydroxyflavone
0.000	[Flavonol]-A(2OH)-B(3OH)	Flavonol	Myricetin
0.000	[Flavonol]-A(2OH)-B(3OH)	Flavonol	5'-Hydroxymorin
0.000	[Flavonol]-A(2OH)-B(3OH)	Flavonol	3,5,7,2',3',4'-Hexahydroxyflavone
0.000	[UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone]-A(2OH, 2Methyl)-B(1OH)	UBR-type derivative / 4'-Oxocyclohexa-2'-enyl-type Flavanone	Protofarrerol
0.000	[Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH)	Dihydroflavonol	6-Methyltaxifolin
0.000	[Dihydroflavonol]-A(2OH, 1Methyl)-B(2OH)	Dihydroflavonol	Deodarin
0.000	[Flavan 4-ol]-A(2OH, 1Hydroxymethyl, 1Methyl)-B(1OH)	Flavan 4-ol	4,5,7,4'-Tetrahydroxy-6-hydroxymethyl-8-methylflavan
0.000	[Isoflavanone-3-ol]-A(2OH)-B(1OH, 1OMe)	Isoflavanone-3-ol	Bolusanthin
0.000	[3-substituted 2-Phenylbenzofuran (3-COOH)]-A(2OH)-B(3OH)	3-substituted 2-Phenylbenzofuran	Norwedelic acid

Level: 3, プリカーサーm/z: 162.89708

Splash: splash10-0006-0900000000-5d89bf4e3078a7663e67

ピーク情報

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MSnスペクトル情報

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