ピーク情報

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pos

Peak #1747 MN MID: SE205_S02_M90

m/z: 385.11262, RT: 21.69, 強度: 30276, ログ強度: 0.96, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

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: 0.071, MS3: 0.143

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	-0.790	5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide	HMDB: HMDB0041693
C17H20O10	384.10565	-0.790	Mandshurin	KNApSAcK: C00047500
C17H20O10	384.10565	-0.790	5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide	HMDB: HMDB0059989
C17H20O10	384.10565	-0.790	Tomenin	HMDB: HMDB0033900
C17H20O10	384.10565	-0.790	Eleutheroside B1	HMDB: HMDB0029549 KNApSAcK: C00047445, C00050932, C00053010
C17H20O10	384.10565	-0.790	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: 385.11267

Splash: splash10-0a4l-0379000000-d3456dd9660ab285e910

m/z	Int.	NL	Rel.Int.
307.05	3286	78	1000
193.04	2339	192	711
367.17	1697	18	516
251.08	1125	134	342
279.09	923	106	280
161.07	713	224	216
275.16	688	110	209
263.16	575	122	175
247.09	560	138	170
305.11	552	80	167
349.08	535	36	162
270.13	433	115	131
277.12	397	108	120
289.13	396	96	120
325.02	298	60	90
249.10	298	136	90
245.10	296	140	90
261.16	285	124	86
339.10	266	46	81
323.18	254	62	77

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.077	[Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl))	Isoflavone	Piscerythrone
0.077	[Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl))	Isoflavone	Piscidone
0.054	[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	Gancaonin P 3'-methyl ether
0.054	[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	8-Prenylquercetin 4'-methyl ether
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
0.000	[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: 307.08502

Splash: splash10-0udi-0090000000-e0e4ada8ff754671e42e

m/z	Int.	NL	Rel.Int.
251.12	1828	56	1000
261.07	400	46	218
289.17	135	18	73

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.143	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Isolonchocarpin
0.143	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Lonchocarpin
0.143	[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

Level: 3, プリカーサーm/z: 193.00830

Splash: splash10-03di-0900000000-b181500c3c16f3f43b53