ピーク情報

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pos

Peak #1644 MN MID: SE199_S41_M90

m/z: 385.11275, RT: 30.93, 強度: 3883, ログ強度: -0.00, 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: (6 names) 5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide;Mandshurin;5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide;Tomenin;Eleutheroside B1;3,4,5-trihydroxy-6-{2-hydroxy-5-[(5-oxo...

DBごとのヒット数: ALL 6 KN 2 HM 4

FlavonoidSearch最大スコア MS2: 0.049, MS3: 0.133

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
C17H20O10	384.10565	-0.453	5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide	HMDB: HMDB0041693
C17H20O10	384.10565	-0.453	Mandshurin	KNApSAcK: C00047500
C17H20O10	384.10565	-0.453	5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide	HMDB: HMDB0059989
C17H20O10	384.10565	-0.453	Tomenin	HMDB: HMDB0033900
C17H20O10	384.10565	-0.453	Eleutheroside B1	HMDB: HMDB0029549 KNApSAcK: C00047445, C00050932, C00053010
C17H20O10	384.10565	-0.453	3,4,5-trihydroxy-6-{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid	HMDB: HMDB0127731

MSnスペクトル情報

Level: 2, プリカーサーm/z: 385.11218

Splash: splash10-0aou-0389000000-eb779584f524d519fc97

m/z	Int.	NL	Rel.Int.
306.99	2594	78	1000
193.06	1571	192	605
367.09	1308	18	504
251.16	892	134	343
275.05	599	110	230
279.19	583	106	224
161.01	554	224	213
247.07	453	138	174
263.15	451	122	173
289.17	399	96	153
324.91	321	60	123
305.14	311	80	120
261.12	311	124	119
349.19	288	36	110
249.17	252	136	97
293.02	242	92	93
277.11	237	108	91
245.15	229	140	88
259.16	195	126	74
323.09	159	62	61

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.050	[Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl))	Isoflavone	Piscerythrone
0.050	[Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl))	Isoflavone	Piscidone
0.037	[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Dihydroflavonol	Eriotrinol
0.037	[Dihydroflavonol]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Dihydroflavonol	3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
0.029	[Flavanone]-A(2OH)-B(2OMe, 1(C-Prenyl))	Flavanone	5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone
0.026	[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	Gancaonin P 3'-methyl ether
0.026	[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	8-Prenylquercetin 4'-methyl ether
0.000	[CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe)-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone	Oxyisocyclointegrin
0.000	[Flavonol (3-OMe)]-A(2OH)-B(2OH, 1(C-Prenyl))	Flavonol	Uralene
0.000	[Flavonol (3-OMe)]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavonol	5,7,3',4'-Tetrahydroxy-3-methoxy-6-prenylflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(2OH, 1(C-Prenyl))	Flavonol	5,7,3',4'-Tetrahydroxy-3-methoxy-5'-prenylflavone
0.000	[Flavonol]-A(1OH, 1([2,3:@@]-(4,6,6-Dimethyldihydropyrano)))-B(2OH)	Flavonol	4'',5''-Dihydro-3,5,3',4'-tetrahydroxy-4'',6'',6''-trimethylpyrano[2,3:7,8]flavone
0.000	[Isoflavone]-A(2OH, Hydroxyprenyl)-B(1OH, 1OMe)	Isoflavone	Gancaonin D
0.000	[Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe, 1(1,1-Dimethylallyl))	Isoflavanone	Echinoisosophoranone
0.000	[Isoflavanone-3-ol]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavanone-3-ol	Sophoronol
0.000	[Coumestan]-A(1OH)-B(1OH, 1OMe, 1(3-hydroxy-3-methylbutyl))	Coumestan	Mirificoumestan hydrate
0.000	[3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6-Hydroxymethyl-6-methyldihydropyrano)))-B(2OH)	3-Phenylcoumarin	Licopyranocoumarin

Level: 3, プリカーサーm/z: 193.05806

Splash: splash10-03di-0900000000-d6b462f809ad5af40fa4

m/z	Int.	NL	Rel.Int.
161.02	1220	32	1000

Level: 3, プリカーサーm/z: 306.99176

Splash: splash10-0udi-0090000000-367ae74b111e0691f569

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.133	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Isolonchocarpin
0.133	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Lonchocarpin
0.125	[Flavan 3-ol]-A(2OH)-B(3OH)	Flavan 3-ol	Gallocatechin
0.000	[Aurone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Aurone	3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone
0.000	[Flavan 3,4-diol]-A(1OH)-B(3OH)	Flavan 3,4-diol	3,4,7,3',4',5'-Hexahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(2OH)	Flavan 3,4-diol	3,4,7,8,3',4'-Hexahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(2OH)	Flavan 3,4-diol	Catechin-4-ol
0.000	[Pterocarpene]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpene	Neoduleen

m/z	Int.	NL	Rel.Int.
251.09	1046	56	1000
261.14	273	46	261
235.11	77	72	73
289.08	77	18	73