ピーク情報

そらまめ未熟豆生

pos

Peak #5446 MN MID: SE116_S061241_M90

m/z: 449.18160, RT: 61.51, 強度: 1205, ログ強度: -0.29, アダクト: [M+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) Fluctuanin;Longipilin acetate;Uvedalin;Repandin E;Undulatin;2,3-Epoxyjuanislamin;(4R*,6Z,8R*,10S*,11E)-8-(Acetyloxy)-3-[(acetyloxy)methyl]-2,4,5,8,9,10-hexahydro-10-hydroxy-6,10-dimethyl-2-oxocyclodec...

DBごとのヒット数: ALL 12 KN 11 HM 1

FlavonoidSearch最大スコア MS2: 0.056, 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
C23H28O9	448.17333	2.217	Fluctuanin	KNApSAcK: C00011880
C23H28O9	448.17333	2.217	Uvedalin	KNApSAcK: C00011832
C23H28O9	448.17333	2.217	Repandin E	KNApSAcK: C00012281
C23H28O9	448.17333	2.217	Undulatin	KNApSAcK: C00010721
C23H28O9	448.17333	2.217	2,3-Epoxyjuanislamin	KNApSAcK: C00035787
C23H28O9	448.17333	2.217	2,3,4,5,2',3',4',6'-Octamethoxychalcone	FlavonoidViewer: FL1CELNS0002 KNApSAcK: C00006992 LipidMAPS: LMPK12120352
C23H28O9	448.17333	2.217	(4R,6Z,8R,10S*,11E)-8-(Acetyloxy)-3-[(acetyloxy)methyl]-2,4,5,8,9,10-hexahydro-10-hydroxy-6,10-dimethyl-2-oxocyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid	KNApSAcK: C00012396
C23H28O9	448.17333	2.217	Melcanthin A	KNApSAcK: C00012287
C23H28O9	448.17333	2.217	Dichotosin	FlavonoidViewer: FL6FCBGS0001 KNApSAcK: C00008772 LipidMAPS: LMPK12020272
C23H28O9	448.17333	2.217	Isouvedalin	KNApSAcK: C00011833
C23H28O9	448.17333	2.217	Ethyl [3,4,5-trihydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxan-2-yl]methyl carbonate	HMDB: HMDB0250016
C23H28O9	448.17333	2.217	Disyfolide	KNApSAcK: C00012317

MSnスペクトル情報

Level: 2, プリカーサーm/z: 449.18155

Splash: splash10-0il0-0007900000-cde9a15ebbd578fce9fb

m/z	Int.	NL	Rel.Int.
360.25	1017	89	1000
431.22	915	18	899
403.25	676	46	664
314.15	193	135	190
130.02	145	319	142
386.16	102	63	100
259.15	66	190	65
302.02	54	147	53

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.077	[Flavone]-A(2OH, 1(C-Glu))-B(2OH)	Flavone	Isoorientin
0.077	[Flavone]-A(2OH, 1(C-Glu))-B(2OH)	Flavone	Orientin
0.077	[Flavonol]-A(1OH, 1(C-Glu))-B(2OH)	Flavonol	Fisetin 8-C-glucoside
0.077	[Flavonol]-A(2OH, 1(C-Glu))-B(1OH)	Flavonol	6-C-Glucopyranosylkaempferol
0.077	[Flavonol]-A(2OH, 1(C-Glu))-B(1OH)	Flavonol	8-C-beta-D-Glucopyranosylkaempferol
0.077	[Isoflavone]-A(2OH, 1(C-Glu))-B(2OH)	Isoflavone	6-C-Glucosylorobol
0.077	[Isoflavone]-A(2OH, 1(C-Glu))-B(2OH)	Isoflavone	8-C-Glucosylorobol
0.077	[Anthocyanidin]-A(2OH, 1(C-Glu))-B(2OH)	Anthocyanidin	8-C-Glucosylcyanidin
0.056	[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

Level: 3, プリカーサーm/z: 360.21570

Splash: splash10-001i-0109000000-e7f7c90c391f3c3f3537

m/z	Int.	NL	Rel.Int.
332.18	537	28	1000
169.97	73	190	136

Level: 3, プリカーサーm/z: 431.17801

Splash: splash10-0udi-0135900000-41620cf7779a8c0aca52

m/z	Int.	NL	Rel.Int.
403.10	186	28	1000
241.16	62	190	335
314.01	61	117	327
386.30	30	45	162
129.98	26	301	139
360.10	23	71	123
385.26	9	46	50

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(none)	Flavone	Kaplanin
[Isoflavone]-A(1OH, 1(C-Glu))-B(1OMe)	Isoflavone	Puerarin 4'-methyl ether
[Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe)	Flavone	Isomollupentin 7,4'-dimethyl ether
[Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe)	Flavone	7,4'-Di-O-Methylisomollupentin
[Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OH)	Flavone	8-C-Rhamnosylgenkwanin
[Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(2OH)	Flavone	Derhamnosylmaysin
[Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(2OH)	Flavone	6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)luteolin
[Flavone]-A(2OH, 1(2,6-Dideoxy-beta-L-xylo-hexopyranosyl))-B(1OH, 1OMe)	Flavone	Alternanthin
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(3-hydroxy-3-methylbutyl))	Flavonol	Aliarin 4'-methyl ether
[Flavonol]-A(1OH, 2OMe)-B(1OMe, 1(4-hydroxy-3-methylbutyl))	Flavonol	3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one
[Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-<1,6-Dihydroxy-2-cyclohexene-1-carbonyl>))	Flavan 3-ol	Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate)