ピーク情報

シロイヌナズナ　地上部

pos

Peak #797 MN MID: SE200_S1_M90

m/z: 395.05840, RT: 11.80, 強度: 19006, ログ強度: 0.65, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: Epithienamycin F

DBごとのヒット数: ALL 1 KG 1

FlavonoidSearch最大スコア MS2: 0.040, 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
C13H18O8N2S2	394.05046	1.698	Epithienamycin F	KEGG: C17399 KNApSAcK: C00018220

MSnスペクトル情報

Level: 2, プリカーサーm/z: 395.05853

Splash: splash10-004i-0029000000-88694d03dc3d270d1313

m/z	Int.	NL	Rel.Int.
377.08	5258	18	1000
290.12	568	105	107
262.08	360	133	68
247.92	292	147	55
233.00	291	162	55

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.040	[Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe)	Isoflavone	Barbigerone
0.000	[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-Benzoyl))	Flavan 3-ol	Catechin 3-O-benzoate
0.000	[Dihydrochalcone]-A(2OH)-B(1OH, 2(C-Prenyl))	Dihydrochalcone	Gancaonin J
0.000	[Dihydrochalcone]-A(2OH)-B(1OH, 1Geranyl)	Dihydrochalcone	3-Geranyl-4,2',4'-trihydroxydihydrochalcone
0.000	[Dihydrochalcone]-A(3OH, 2(C-Prenyl))-B(none)	Dihydrochalcone	2',4',6'-Trihydroxy-3',5'-diprenyldihydrochalcone
0.000	[Dihydrochalcone]-A(3OH, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	Dihydrochalcone	Linderatin
0.000	[Flavanone]-A(1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none)	Flavanone	Purpurin
0.000	[Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-Furano))-B(2OH)	Flavanone	3',4'-Dihydroxy-7-methoxy-8-prenyl-[2'',3'':5,6]furanoflavanone
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(4-Methyl-5-hydoxy-3a,6a-dihydro-6-oxocyclopenta[b]furano)))-B(2OH)	Flavone	Demethyltorosaflavone C
0.000	[Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Muxiangrin I
0.000	[Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(1OH)	Dihydroflavonol	Gericudranin E
0.000	[Flavonol (3-OMe)]-A(1OMe, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavonol	8-C-Methylvellokaempferol 3,5-dimethyl ether
0.000	[Flavan]-A(1OH)-B(2OH, 2(C-Prenyl))	Flavan	Kazinol A
0.000	[Rotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	Rotenone	Rotenone
0.000	[Rotenone]-A(1OH, 1(Penta-1,4-dienyl))-B(2OMe)	Rotenone	Myriconol
0.000	[Rotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Rotenone	Deguelin
0.000	[12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	12a-Hydroxyisomillettone
0.000	[12a-Hydroxyrotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	Millettosin
0.000	[Dehydrorotenone]-A(1([2,3:@@]-(5-Isopropyldihydrofurano)))-B(2OMe)	Dehydrorotenone	Dehydrodihydrorotenone
0.000	[4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	4-Hydroxy-3-phenylcoumarin	Robustic acid methyl ether
0.000	[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	4-Hydroxy-3-phenylcoumarin	Robustin
0.000	[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	4-Hydroxy-3-phenylcoumarin	Isorobustin

Level: 3, プリカーサーm/z: 377.09045

Splash: splash10-0002-0190000000-8a5901774deaa782cbb8

m/z	Int.	NL	Rel.Int.
249.01	30	128	1000
190.07	5	187	176

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(1OH, 2(C-Prenyl))-B(none)	Flavanone	Ovaliflavanone A
[2'-Hydroxychalcone]-A(2OH, 2(C-Prenyl))-B(none)	2'-Hydroxychalcone	Spinochalcone A
[Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe)	Flavone	5,7,3',6'-Tetrahydroxy-6,8,2'-trimethoxyflavone
[Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe)	Flavone	5,7,3',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone
[Flavone]-A(2OH, 2OMe)-B(2OH, 1OMe)	Flavone	5,7,2',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone
[Flavanone]-A(1OH, 2OMe)-B(1OH, 2OMe)	Flavanone	5,3'-Dihydroxy-6,7,4',5'-tetramethoxyflavanone
[Flavanone]-A(1OH, 3OMe)-B(1OH, 1OMe)	Flavanone	5,2'-Dihydroxy-6,7,8,6'-tetramethoxyflavanone
[Flavonol]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavonol	Limocitrol
[Flavonol]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavonol	3,5,7,3'-Tetrahydroxy-6,8,4'-trimethoxyflavone
[Flavonol]-A(1OH, 3OMe)-B(2OH)	Flavonol	3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone
[Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	3,5,7,4'-Tetrahydroxy-6,3',5'-trimethoxyflavone
[Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	3,5,7,3'-Tetrahydroxy-6,4',5'-trimethoxyflavone
[Flavonol]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavonol	Hibiscetin 8,3',5'-trimethyl ether
[Pterocarpan]-A(1OH, 2OMe)-B(1OH, 2OMe)	Pterocarpan	2,8-Dihydroxy-3,4,9,10-tetramethoxypterocarpan
[Flavanone]-A(1OH, 1OMe, 1(2-hydroxybenzyl))-B(none)	Flavanone	5-O-Methylchamanetin
[Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Benzoyl))	Dihydroflavonol	Pinobanksin 3-O-benzoate
[Dihydroflavonol]-A(2OH, 1OMe)-B(2OH)-C(1(O-Acetyl))	Dihydroflavonol	3,5,7,3',4'-Pentahydroxy-6-methoxyflavanone 3-O-acetate
[Dihydroflavonol]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Dihydroflavonol	Plumbaginol
[Flavonol (3-OMe)]-A(3OH)-B(1OH, 2OMe)	Flavonol	5,6,7,4'-Tetrahydroxy-3,3',5'-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Apuleisin
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,4',5'-Tetrahydroxy-3,6,2'-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,2',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,2',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Hibiscetin 3,7,4'-trimethyl ether
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Hibiscetin 3,8,4'-trimethyl ether
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(2OH, 1OMe)	Flavonol	5,7,2',4'-Tetrahydroxy-3,8,5'-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH)	Flavonol	5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OH)	Flavonol	5,6,3',4'-Tetrahydroxy-3,7,8-trimethoxyflavone
[UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 2OMe)-B(2OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan	Abruquinone C
[Dehydrorotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	Dehydrorotenone	Dehydromillettone