ピーク情報

ミヤコグサ

pos

Peak #5041 MN MID: SE205_S07_M90

m/z: 517.13464, RT: 53.77, 強度: 40405, ログ強度: 1.11, 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: 0.312

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	1.145	2'',6''-Di-O-Acetyl isovitexin	FlavonoidViewer: FL3FAACS0080 KNApSAcK: C00014079 LipidMAPS: LMPK12110270
C25H24O12	516.12678	1.145	Kaempferol 3-(2'',4''-diacetylrhamnoside)	FlavonoidViewer: FL5FAAGS0052 HMDB: HMDB0040138 KNApSAcK: C00005865 LipidMAPS: LMPK12111888
C25H24O12	516.12678	1.145	Formononetin 7-O-(6-O-malonyl-beta-D-glucoside)	FlavonoidViewer: FLIA1AGS0008 HMDB: HMDB0029493 KEGG: C16222 KNApSAcK: C00010083 LipidMAPS: LMPK12050020
C25H24O12	516.12678	1.145	Isochlorogenic acid b	HMDB: HMDB0030705, HMDB0030707, HMDB0253617, HMDB0304637 KEGG: C10468 KNApSAcK: C00002751, C00029480, C00029520, C00034768
C25H24O12	516.12678	1.145	1,3-Dicaffeoylquinic acid	HMDB: HMDB0029279, HMDB0030093, HMDB0242355 KEGG: C10445 KNApSAcK: C00002733, C00044046
C25H24O12	516.12678	1.145	Apigenin 7-(3'',4''-diacetylglucoside)	FlavonoidViewer: FL3FAAGS0049 HMDB: HMDB0037344 KNApSAcK: C00004189 LipidMAPS: LMPK12110383
C25H24O12	516.12678	1.145	Kaempferol 3-(3'',4''-diacetylrhamnoside)	FlavonoidViewer: FL5FAAGS0053 HMDB: HMDB0040139 KNApSAcK: C00005866 LipidMAPS: LMPK12111889
C25H24O12	516.12678	1.145	Daidzein 7-O-(6''-succinylglucoside)	KNApSAcK: C00019756
C25H24O12	516.12678	1.145	Apigenin 7-(2'',3''-diacetylglucoside)	FlavonoidViewer: FL3FAAGS0048 HMDB: HMDB0037343 KNApSAcK: C00004188 LipidMAPS: LMPK12110382
C25H24O12	516.12678	1.145	(+)-Vitisin B	HMDB: [1]HMDB0036825 KNApSAcK: [1]C00052491
C25H24O12	516.12678	1.145	1,4-Bis-(3,4-dihydroxycinnamoyl)quinic acid	HMDB: HMDB0034766, HMDB0250259 KNApSAcK: C00055091
C25H24O12	516.12678	1.145	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: 517.13422

Splash: splash10-014i-0090000000-2829cbdfa10eb8dd0829

m/z	Int.	NL	Rel.Int.
269.04	80222	248	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: 269.04077

Splash: splash10-0udi-0090000000-37655de7587281b17a0e

m/z	Int.	NL	Rel.Int.
254.00	11839	15	1000
237.02	5023	32	424
213.05	4191	56	354
269.03	1677	0	141
253.10	1526	16	128
106.93	846	162	71
241.12	696	28	58
135.96	628	133	53

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.313	[Flavonol]-A(none)-B(1OMe)	Flavonol	3-Hydroxy-4'-methoxyflavone
0.263	[Isoflavone]-A(1OH)-B(1OMe)	Isoflavone	Formononetin
0.263	[Isoflavone]-A(1OH)-B(1OMe)	Isoflavone	Pallidiflorin
0.250	[Flavone]-A(1OMe)-B(1OH)	Flavone	Isopratol
0.250	[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	Trigraecum
0.250	[Flavone]-A(1OH)-B(1OMe)	Flavone	5-Hydroxy-2'-methoxyflavone
0.250	[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	5-Hydroxy-6-methoxyflavone
0.250	[Flavone]-A(1OH)-B(1OMe)	Flavone	6-Hydroxy-4'-methoxyflavone
0.250	[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	Tectochrysin
0.200	[Isoflavone]-A(1OMe)-B(1OH)	Isoflavone	Isoformononetin
0.200	[Isoflavone]-A(1OH, 1OMe)-B(none)	Isoflavone	5-Hydroxy-7-methoxyisoflavone
0.100	[Coumestan]-A(1OH)-B(1OH)	Coumestan	Coumestrol
0.000	[Aurone]-A(1OH, 1Methyl)-B(1OH)	Aurone	6,4'-Dihydroxy-7-methylaurone
0.000	[Flavanone]-A(1OH, 2Methyl)-B(none)	Flavanone	7-Hydroxy-6,8-di-C-methylflavanone
0.000	[Flavone]-A(2OH, 1Methyl)-B(none)	Flavone	Strobochrysin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(none)	4-phenylcoumarin	Dalbergin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(none)	4-phenylcoumarin	Isodalbergin

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MSnスペクトル情報

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