ピーク情報

トマト Micro-Tom 成熟果実の果肉

pos

Peak #7667 MN MID: SE203_S21_M90

m/z: 517.13412, RT: 53.74, 強度: 749722, ログ強度: 2.40, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

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: -

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	0.131	2'',6''-Di-O-Acetyl isovitexin	FlavonoidViewer: FL3FAACS0080 KNApSAcK: C00014079 LipidMAPS: LMPK12110270
C25H24O12	516.12678	0.131	Kaempferol 3-(2'',4''-diacetylrhamnoside)	FlavonoidViewer: FL5FAAGS0052 HMDB: HMDB0040138 KNApSAcK: C00005865 LipidMAPS: LMPK12111888
C25H24O12	516.12678	0.131	Formononetin 7-O-(6-O-malonyl-beta-D-glucoside)	FlavonoidViewer: FLIA1AGS0008 HMDB: HMDB0029493 KEGG: C16222 KNApSAcK: C00010083 LipidMAPS: LMPK12050020
C25H24O12	516.12678	0.131	Isochlorogenic acid b	HMDB: HMDB0030705, HMDB0030707, HMDB0253617, HMDB0304637 KEGG: C10468 KNApSAcK: C00002751, C00029480, C00029520, C00034768
C25H24O12	516.12678	0.131	1,3-Dicaffeoylquinic acid	HMDB: HMDB0029279, HMDB0030093, HMDB0242355 KEGG: C10445 KNApSAcK: C00002733, C00044046
C25H24O12	516.12678	0.131	Apigenin 7-(3'',4''-diacetylglucoside)	FlavonoidViewer: FL3FAAGS0049 HMDB: HMDB0037344 KNApSAcK: C00004189 LipidMAPS: LMPK12110383
C25H24O12	516.12678	0.131	Kaempferol 3-(3'',4''-diacetylrhamnoside)	FlavonoidViewer: FL5FAAGS0053 HMDB: HMDB0040139 KNApSAcK: C00005866 LipidMAPS: LMPK12111889
C25H24O12	516.12678	0.131	Daidzein 7-O-(6''-succinylglucoside)	KNApSAcK: C00019756
C25H24O12	516.12678	0.131	Apigenin 7-(2'',3''-diacetylglucoside)	FlavonoidViewer: FL3FAAGS0048 HMDB: HMDB0037343 KNApSAcK: C00004188 LipidMAPS: LMPK12110382
C25H24O12	516.12678	0.131	(+)-Vitisin B	HMDB: [1]HMDB0036825 KNApSAcK: [1]C00052491
C25H24O12	516.12678	0.131	1,4-Bis-(3,4-dihydroxycinnamoyl)quinic acid	HMDB: HMDB0034766, HMDB0250259 KNApSAcK: C00055091
C25H24O12	516.12678	0.131	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: 517.13318

Splash: splash10-0002-0000900000-6ff6f7e4ba0a618dccd4

m/z	Int.	NL	Rel.Int.
499.18	65792	18	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(Z)-4-hydroxyprenyl))-B(1OH)	2'-Hydroxychalcone	Gemichalcone A
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl))-B(none)	2'-Hydroxychalcone	Rottlerin
[Flavone]-A(2OH, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(1OH)	Flavone	Vitexin 2''-O-(2'''-methylbutyryl)
[Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(1OH)	Flavone	2'',6''-Di-O-Acetylisovitexin
[Dihydroflavonol]-A(2OH, 2(p-Hydroxybenzyl) )-B(2OH)	Dihydroflavonol	Gericudranin A

Level: 3, プリカーサーm/z: 499.21283

Splash: splash10-02t9-0809000000-aab037614027e7bd930e

m/z	Int.	NL	Rel.Int.
319.13	5061	180	1000
162.92	4767	336	942
145.04	264	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

関連ピーク情報

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
7667	53.74	517.13412	0.0000	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
	53.75	499.12379	-18.0103	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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