ピーク情報

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Peak #3682 MN MID: SE205_S02_M90

m/z: 469.17044, RT: 39.98, 強度: 128185, ログ強度: 1.59, 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: (2 names) Prim-O-Glucosylcimifugin;6-O-(4-Hydroxybenzoyl)-ajugol

DBごとのヒット数: ALL 2 KN 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.050

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
C22H28O11	468.16316	0.005	Prim-O-Glucosylcimifugin	HMDB: HMDB0256772 KNApSAcK: C00031084
C22H28O11	468.16316	0.005	6-O-(4-Hydroxybenzoyl)-ajugol	KNApSAcK: C00035233, C00035963

Level: 2, プリカーサーm/z: 469.16968

Splash: splash10-0a4i-0009000000-0b130449f7d8e9d88e59

m/z	Int.	NL	Rel.Int.
307.12	349695	162	1000
308.14	20578	161	58

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavanone]-A(2OH, 1(2-Hydroxybenzyl), 1(2-Hydroxybenzyl))-B(none)	Flavanone	Dichamanetin
[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH, 1OMe)	Flavanone	Exiguaflavanone E
[CCS-type derivative / [2',3]-(Epoxy-1-hydroperoxyisopropanylethano)flavone]-A(1OH, 1OMe)-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroperoxyisopropanylethano)flavone	Artoindonesianin B
[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Caffeoyl))	Flavan 3-ol	Gallocatechin 3-O-caffeate
[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(3OH)	Flavan 3-ol	Apocynin A
[Isoflavone]-A(1OH, 1(3-Hydroxy-3-methylbutyl), 11([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OMe)	Isoflavone	1'',2''-Dihydro-8-hydroxyisopentanyl-3'-methoxy-4'-O-methylalpinumisoflavone
[Isoflavone]-A(1OH, 1(3-Hydroxy-3-methylbutyl), 11([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OMe)	Isoflavone	1'',2''-Dihydro-8-hydroxyisopentanyl-2'-methoxy-4'-O-methylalpinumisoflavone

Level: 3, プリカーサーm/z: 307.12183

Splash: splash10-000i-0090000000-bbde6ddcd92165002778

m/z	Int.	NL	Rel.Int.
235.06	103298	72	1000
289.10	84857	18	821
259.08	45192	48	437
257.09	19709	50	190
234.17	16102	73	155
221.08	14870	86	143
232.98	6723	74	65
274.16	6520	33	63

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.083	[Flavan 3-ol]-A(2OH)-B(3OH)	Flavan 3-ol	Gallocatechin
0.050	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Isolonchocarpin
0.050	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Lonchocarpin
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: 308.14017

Splash: splash10-000l-0090000000-7f272d9fc57add94cd1c

m/z	Int.	NL	Rel.Int.
290.18	4446	18	1000
236.02	3036	72	682
260.13	2000	48	449
235.35	1832	73	412
258.27	646	50	145
220.98	463	87	104
275.30	431	33	96
193.94	418	114	93
293.23	300	15	67
205.97	282	102	63
174.98	241	133	54
233.24	233	75	52
234.01	223	74	50