ピーク情報

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Peak #656 MN MID: SE199_S41_M90

m/z: 441.17581, RT: 11.66, 強度: 7970, ログ強度: 0.31, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (11 names) [3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid;Cichorioside I;gamma-CEHC glucuronide...

DBごとのヒット数: ALL 10 KN 9 HM 1

FlavonoidSearch最大スコア MS2: 0.062, 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
C21H28O10	440.16825	0.655	[3aR-(3aR,5E,7R,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid	KNApSAcK: C00012389
C21H28O10	440.16825	0.655	Cichorioside I	HMDB: HMDB0302055 KNApSAcK: C00029955
C21H28O10	440.16825	0.655	gamma-CEHC glucuronide	HMDB: HMDB0242175
C21H28O10	440.16825	0.655	Dictamnusine	KNApSAcK: C00039017
C21H28O10	440.16825	0.655	Cichorioside G	HMDB: HMDB0302053 KNApSAcK: C00029953
C21H28O10	440.16825	0.655	Taraxafolide	KNApSAcK: C00031403
C21H28O10	440.16825	0.655	Cichorioside H	HMDB: HMDB0302054 KNApSAcK: C00029954
C21H28O10	440.16825	0.655	Cichorioside F	HMDB: HMDB0302052 KNApSAcK: C00029952
C21H28O10	440.16825	0.655	Cichorioside B	HMDB: HMDB0302050 KNApSAcK: C00029949
C21H28O10	440.16825	0.655	15-O-beta-D-Glucopyranosylurospermal A	KNApSAcK: C00036420

MSnスペクトル情報

Level: 2, プリカーサーm/z: 441.17590

Splash: splash10-052o-0090000000-2ba8a8d67f482a2472f2

m/z	Int.	NL	Rel.Int.
240.13	6212	201	1000
287.09	5754	154	926
258.09	5661	183	911
184.10	1080	257	173
423.04	744	18	119

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.063	[Dihydroflavonol]-A(2OH, 2(C-Prenyl))-B(2OH)	Dihydroflavonol	Kushenol L
0.056	[Flavanone]-A(2OH, 2(C-Prenyl))-B(3OH)	Flavanone	Kenusanone B
0.000	[Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Dihydrochalcone	3,2',4',6'-Tetrahydroxy-4-methoxy-3',5-diprenyldihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH)	Dihydrochalcone	3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe, 1(3-Hydroxy-3-methylbutyl))	Flavanone	5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone
0.000	[Flavanone]-A(2([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)) )-B(1OH)	Flavanone	Lonchocarpol E
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH)	Flavanone	2'',3''-Dihydroxylupinifolin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(2OH)	Flavanone	Dorsmanin H
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Flavanone	Dorsmanin F
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Flavanone	Dorsmanin G
0.000	[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Flavanone	Abyssinoflavanone V
0.000	[Flavanone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Flavanone	Abyssinoflavanone VI
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(3OH)	Flavanone	Sophoraflavanone D
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(3OH)	Flavanone	Sophoraflavanone E
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone C
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone G
0.000	[Dihydroflavonol]-A(2OH, 1Geranyl)-B(2OH)	Dihydroflavonol	Diplacol
0.000	[Dihydroflavonol]-A(2OH, 1Lavandulyl)-B(2OH)	Dihydroflavonol	Kushenol X
0.000	[Flavan 3-ol]-A(1OH)-B(3OH)	Flavan 3-ol	6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
0.000	[Flavan 3-ol]-A(2OH)-B(1OH, 1([3,4:@@]-(5,6,7-Trihydroxy-1-oxoisochromene)))	Flavan 3-ol	Amurensisin
0.000	[12a-Hydroxyrotenone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	12a-Hydroxyrotenone	12a-Hydroxyerythynone