ピーク情報

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pos

Peak #9484 MN MID: SE61_S21_M90

m/z: 517.18575, RT: 81.95, 強度: 18581, ログ強度: 0.68, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (4 names) Rottlerin;3'-(4-Feruloyloxy-3-methylbutyl-2(Z)-enyl)-4,2',4'-trihydroxychalcone;Isorottlerin;Gnetifolin D

DBごとのヒット数: ALL 4 KG 1 KN 3

FlavonoidSearch最大スコア MS2: -, MS3: 0.111

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
C30H28O8	516.17842	0.103	Rottlerin	FlavonoidViewer: FL1CRTNP0001 HMDB: HMDB0247787 KEGG: C10721 KNApSAcK: C00002708 LipidMAPS: LMPK12120428
C30H28O8	516.17842	0.103	Gemichalcone A	FlavonoidViewer: FL1C1ANI0028 KNApSAcK: C00014453 LipidMAPS: LMPK12120065
C30H28O8	516.17842	0.103	Isorottlerin	KNApSAcK: C00050993
C30H28O8	516.17842	0.103	Gnetifolin D	KNApSAcK: C00015771

MSnスペクトル情報

Level: 2, プリカーサーm/z: 517.18542

Splash: splash10-00di-0039100000-8227520398dd814e2ee0

m/z	Int.	NL	Rel.Int.
323.11	2565	194	1000
291.12	969	226	377
499.48	278	18	108
498.67	204	19	79
161.01	166	356	64

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(Z)-4-hydroxyprenyl))-B(1OH)	2'-Hydroxychalcone	Gemichalcone A
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl))-B(none)	2'-Hydroxychalcone	Rottlerin
[Flavone]-A(2OH, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(1OH)	Flavone	Vitexin 2''-O-(2'''-methylbutyryl)
[Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(1OH)	Flavone	2'',6''-Di-O-Acetylisovitexin
[Dihydroflavonol]-A(2OH, 2(p-Hydroxybenzyl) )-B(2OH)	Dihydroflavonol	Gericudranin A

Level: 3, プリカーサーm/z: 323.12396

Splash: splash10-01ox-0590000000-bdcd03c680e5e54de11e

m/z	Int.	NL	Rel.Int.
291.17	358	32	1000
161.04	231	162	646
199.14	52	124	146
295.13	50	28	139
259.24	47	64	132
263.18	44	60	123
308.22	33	15	92

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.111	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	4'-Hydroxyisolonchocarpin
0.111	[Flavanone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Abyssinone I
0.111	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Flemichapparin A
0.111	[2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	2'-Hydroxychalcone	Kanzonol B
0.111	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Isobavachromene
0.111	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Bavachromene
0.077	[Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Pterocarpan	Neorautenol
0.077	[Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Phaseollin
0.077	[Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Isoneorautenol
0.067	[Chalcone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Chalcone	Munsericin
0.050	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Derricin
0.048	[Flavanone]-A(1OMe, 1(C-Prenyl))-B(none)	Flavanone	Isoderricin A
0.045	[Flavone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavone	7,4'-Dihydroxy-8-prenylflavone
0.045	[Flavone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavone	Kanzonol D
0.045	[Flavone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavone	Licoflavone A
0.045	[Flavone]-A(2OH, 1(C-Prenyl))-B(none)	Flavone	5,7-Dihydroxy-8-prenylflavone
0.043	[Isoflavone]-A(1OH)-B(1OH, 1(C-Prenyl))	Isoflavone	Neobavaisoflavone
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Obovatin
0.000	[Dihydroflavonol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Dihydroflavonol	3-Hydroxyisolonchocarpin
0.000	[Flavan 3-ol]-A(4OH)-B(2OH)	Flavan 3-ol	Elephantorrhizol
0.000	[Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Chalcone	Ovalitenin C
0.000	[Flavone]-A(1([2,3:@@]-Furano))-B(2OMe)	Flavone	Millettocalyxin C
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavonol	3,4'-Dimethoxyfurano[2,3:7,8]flavone
0.000	[Flavan 3,4-diol]-A(2OH)-B(3OH)	Flavan 3,4-diol	Gallocatechin-4-ol
0.000	[isoflavene]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	isoflavene	Glabrene

Level: 3, プリカーサーm/z: 291.21045

Splash: splash10-03e9-0090000000-92d0d16b320657814666

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydrochalcone]-A(3OH)-B(2OH)	Dihydrochalcone	3,4,2',4',6'-Pentahydroxydihydrochalcone
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	Mesquitol
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	3,5,7,3',5'-Pentahydroxyflavan
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	Catechin
[Flavan 3-ol]-A(1OH)-B(3OH)	Flavan 3-ol	Robinetinidol
[Dihydrochalcone alpha-ol]-A(3OH)-B(1OH)	Dihydrochalcone alpha-ol	Nubigenol
[Dihydrochalcone alpha-ol]-A(2OH)-B(2OH)	Dihydrochalcone alpha-ol	3,4,2',4',alpha-Pentahydroxydihydrochalcone
[Flavan 4-ol]-A(2OH)-B(2OH)	Flavan 4-ol	Luteoforol
[Flavan 3,4-diol]-A(1OH)-B(2OH)	Flavan 3,4-diol	3,4,7,3',4'-Pentahydroxyflavan
[Flavan 3,4-diol]-A(2OH)-B(1OH)	Flavan 3,4-diol	3,4,7,8,4'-Pentahydroxyflavan
[Flavan 3,4-diol]-A(2OH)-B(1OH)	Flavan 3,4-diol	3,4,5,7,4'-Pentahydroxyflavan

m/z	Int.	NL	Rel.Int.
263.11	139	28	1000
231.16	86	60	617
259.22	83	32	598
260.20	68	31	489
248.16	58	43	416
276.18	49	15	351
232.08	22	59	159
218.14	16	73	116
235.28	14	56	103
215.25	11	76	81
205.08	10	86	72
262.17	9	29	61