ピーク情報

トマト Micro-Tom 成熟果実の果肉

pos

Peak #7666 MN MID: SE203_S21_M90

m/z: 499.12379, RT: 53.75, 強度: 46558, ログ強度: 1.19, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 2

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	0.588	2'',6''-Di-O-Acetyl isovitexin	FlavonoidViewer: FL3FAACS0080 KNApSAcK: C00014079 LipidMAPS: LMPK12110270
C25H24O12	516.12678	0.588	Kaempferol 3-(2'',4''-diacetylrhamnoside)	FlavonoidViewer: FL5FAAGS0052 HMDB: HMDB0040138 KNApSAcK: C00005865 LipidMAPS: LMPK12111888
C25H24O12	516.12678	0.588	Formononetin 7-O-(6-O-malonyl-beta-D-glucoside)	FlavonoidViewer: FLIA1AGS0008 HMDB: HMDB0029493 KEGG: C16222 KNApSAcK: C00010083 LipidMAPS: LMPK12050020
C25H24O12	516.12678	0.588	Isochlorogenic acid b	HMDB: HMDB0030705, HMDB0030707, HMDB0253617, HMDB0304637 KEGG: C10468 KNApSAcK: C00002751, C00029480, C00029520, C00034768
C25H24O12	516.12678	0.588	1,3-Dicaffeoylquinic acid	HMDB: HMDB0029279, HMDB0030093, HMDB0242355 KEGG: C10445 KNApSAcK: C00002733, C00044046
C25H24O12	516.12678	0.588	Apigenin 7-(3'',4''-diacetylglucoside)	FlavonoidViewer: FL3FAAGS0049 HMDB: HMDB0037344 KNApSAcK: C00004189 LipidMAPS: LMPK12110383
C25H24O12	516.12678	0.588	Kaempferol 3-(3'',4''-diacetylrhamnoside)	FlavonoidViewer: FL5FAAGS0053 HMDB: HMDB0040139 KNApSAcK: C00005866 LipidMAPS: LMPK12111889
C25H24O12	516.12678	0.588	Daidzein 7-O-(6''-succinylglucoside)	KNApSAcK: C00019756
C25H24O12	516.12678	0.588	Apigenin 7-(2'',3''-diacetylglucoside)	FlavonoidViewer: FL3FAAGS0048 HMDB: HMDB0037343 KNApSAcK: C00004188 LipidMAPS: LMPK12110382
C25H24O12	516.12678	0.588	(+)-Vitisin B	HMDB: [1]HMDB0036825 KNApSAcK: [1]C00052491
C25H24O12	516.12678	0.588	1,4-Bis-(3,4-dihydroxycinnamoyl)quinic acid	HMDB: HMDB0034766, HMDB0250259 KNApSAcK: C00055091
C25H24O12	516.12678	0.588	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: 499.12390

Splash: splash10-03xr-0908000000-32c07dbceda5993ee255

m/z	Int.	NL	Rel.Int.
162.97	22016	336	1000
319.14	18872	180	857
320.12	6396	179	290
164.04	2919	335	132
145.02	1159	354	52

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: 319.10568

Splash: splash10-03di-0900000000-f5a2ab2495a3b5a7c498

m/z	Int.	NL	Rel.Int.
162.92	11260	156	1000
144.92	652	174	57

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: 162.98508

Splash: splash10-0006-0900000000-7f09af2f193f283e25ac

m/z	Int.	NL	Rel.Int.
144.94	6632	18	1000
135.03	615	28	92

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS2	FS3	共有数
	53.74	517.13412	18.0103	2.40	[M+H]+	(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 ...	ALL 12 KG 3 KN 9	MS2 MS3			3
7666	53.75	499.12379	0.0000	1.19	[M-H2O+H]+	(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 ...	ALL 12 KG 3 KN 9	MS2 MS3 x 2		0.083	2

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MSnスペクトル情報

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