ピーク情報

リーフレタスグリーン

pos

Peak #10125 MN MID: SE198_S12_M90

m/z: 449.14450, RT: 56.54, 強度: 3916, ログ強度: 0.10, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (25 names) 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone;Massarigenin C;(-)-Massarigenin C;Calaminthone;Spiromassaritone;(+)-Spiromassaritone;3-Benzylmalic acid;3-Benzylmalate;Plumbagic acid;(+)-Plumbagic ac...

DBごとのヒット数: ALL 17 KG 3 KN 10 HM 3 LM 1

FlavonoidSearch最大スコア MS2: 0.125, MS3: -

安定同位体ラベル実験で見積もられた原子数:

N: 0

S: 0

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
C11H12O5	224.06847	0.626	5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone	HMDB: HMDB0041691
C11H12O5	224.06847	0.626	Massarigenin C	KNApSAcK: C00034427, C00044910, C00044911
C11H12O5	224.06847	0.626	Calaminthone	KNApSAcK: C00010842
C11H12O5	224.06847	0.626	Spiromassaritone	KNApSAcK: C00034688
C11H12O5	224.06847	0.626	3-Benzylmalic acid	KEGG: C20654
C11H12O5	224.06847	0.626	Plumbagic acid	KNApSAcK: C00050393
C11H12O5	224.06847	0.626	Sepedonin	KNApSAcK: C00023994
C11H12O5	224.06847	0.626	2-Benzylmalic acid	KEGG: C20653
C11H12O5	224.06847	0.626	Sinapic acid	HMDB: HMDB0032616, HMDB0034069 KEGG: C00482 KNApSAcK: C00002776, C00034327
C11H12O5	224.06847	0.626	Methyl 5-hydroxyferulate	KNApSAcK: C00052739
C11H12O5	224.06847	0.626	Eutypellin A	KNApSAcK: C00047870
C11H12O5	224.06847	0.626	Sparanone A	KNApSAcK: C00044316
C11H12O5	224.06847	0.626	Elenolide	HMDB: HMDB0030018
C11H12O5	224.06847	0.626	2-Oxo-2-(3,4,5-trimethoxyphenyl)acetaldehyde	HMDB: HMDB0245283
C11H12O5	224.06847	0.626	Sparanone B	KNApSAcK: C00044317
C11H12O5	224.06847	0.626	3-(5-(2-carboxyethyl)-4-methylfuran-2-yl)-2E-propenoic acid	LipidMAPS: LMFA01150052
C11H12O5	224.06847	0.626	Plumbolactone B	KNApSAcK: C00050395

MSnスペクトル情報

Level: 2, プリカーサーm/z: 449.14474

Splash: splash10-001i-0010900000-bafeb274b4096ba9d460

m/z	Int.	NL	Rel.Int.
431.10	695	18	1000
255.01	67	194	97
287.06	50	162	71

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.125	[Flavone]-A(2OH, 1(C-Glu))-B(2OH)	Flavone	Isoorientin
0.125	[Flavone]-A(2OH, 1(C-Glu))-B(2OH)	Flavone	Orientin
0.125	[Flavonol]-A(1OH, 1(C-Glu))-B(2OH)	Flavonol	Fisetin 8-C-glucoside
0.125	[Flavonol]-A(2OH, 1(C-Glu))-B(1OH)	Flavonol	6-C-Glucopyranosylkaempferol
0.125	[Flavonol]-A(2OH, 1(C-Glu))-B(1OH)	Flavonol	8-C-beta-D-Glucopyranosylkaempferol
0.125	[Isoflavone]-A(2OH, 1(C-Glu))-B(2OH)	Isoflavone	6-C-Glucosylorobol
0.125	[Isoflavone]-A(2OH, 1(C-Glu))-B(2OH)	Isoflavone	8-C-Glucosylorobol
0.125	[Anthocyanidin]-A(2OH, 1(C-Glu))-B(2OH)	Anthocyanidin	8-C-Glucosylcyanidin
0.077	[Chalcone]-A(4OMe)-B(4OMe)	Chalcone	2,3,4,5,2',3',4',6'-Octamethoxychalcone
0.000	[Flavone]-A(4OMe)-B(1OH, 3OMe)	Flavone	Agehoustin C
0.000	[Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH)	Flavone	6-C-Galactosylluteolin
0.000	[Flavone]-A(2OH, 1(C-Galactosyl))-B(2OH)	Flavone	8-C-Galactosylluteolin
0.000	[Flavone]-A(3OH, 1(C-Galactosyl))-B(1OH)	Flavone	6-C-Galactosylisoscutellarein
0.000	[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cycloartomunin
0.000	[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe)	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artomunoxanthone
0.000	[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1OMe)-B(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artonol E
0.000	[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Cycloartomunoxanthone
0.000	[UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	UBR-type derivative / 3',6'-Oxo-4'-enyl-[1',2']-epoxy-type [2',3]-Isopropenylethanoflavone	Artonin P
0.000	[Flavonol (3-OMe)]-A(4OMe)-B(1OH, 2OMe)	Flavonol	3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone
0.000	[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	4-Hydroxy-3-phenylcoumarin	Lonchocarpenin