ピーク情報

パセリ　根

pos

Peak #8499 MN MID: SE61_S24_M90

m/z: 517.18580, RT: 82.02, 強度: 8516, ログ強度: 0.43, 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: 0.105

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	0.211	Rottlerin	FlavonoidViewer: FL1CRTNP0001 HMDB: HMDB0247787 KEGG: C10721 KNApSAcK: C00002708 LipidMAPS: LMPK12120428
C30H28O8	516.17842	0.211	Gemichalcone A	FlavonoidViewer: FL1C1ANI0028 KNApSAcK: C00014453 LipidMAPS: LMPK12120065
C30H28O8	516.17842	0.211	Isorottlerin	KNApSAcK: C00050993
C30H28O8	516.17842	0.211	Gnetifolin D	KNApSAcK: C00015771

MSnスペクトル情報

Level: 2, プリカーサーm/z: 517.18555

Splash: splash10-00di-0029100000-9f79cc1cf7178a0ea4d5

m/z	Int.	NL	Rel.Int.
323.18	1671	194	1000
291.23	513	226	307
499.37	154	18	92
160.95	123	356	73
498.51	113	19	67

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: 323.14319

Splash: splash10-01ox-0980000000-d88f21cf5f0cc60d7d7e

m/z	Int.	NL	Rel.Int.
291.23	325	32	1000
161.10	325	162	998
295.21	82	28	252
199.11	64	124	196
136.96	38	186	118
133.11	25	190	75
263.14	20	60	60
105.08	19	218	58

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.105	[Flavanone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Abyssinone I
0.105	[2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	2'-Hydroxychalcone	Kanzonol B
0.091	[Flavone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavone	Kanzonol D
0.091	[Flavone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavone	Licoflavone A
0.091	[Flavone]-A(2OH, 1(C-Prenyl))-B(none)	Flavone	5,7-Dihydroxy-8-prenylflavone
0.087	[Isoflavone]-A(1OH)-B(1OH, 1(C-Prenyl))	Isoflavone	Neobavaisoflavone
0.071	[Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Pterocarpan	Neorautenol
0.071	[Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Phaseollin
0.071	[Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Isoneorautenol
0.063	[Chalcone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Chalcone	Munsericin
0.059	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Obovatin
0.050	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	4'-Hydroxyisolonchocarpin
0.050	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Flemichapparin A
0.050	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Isobavachromene
0.050	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Bavachromene
0.045	[Flavanone]-A(1OMe, 1(C-Prenyl))-B(none)	Flavanone	Isoderricin A
0.043	[Flavone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavone	7,4'-Dihydroxy-8-prenylflavone
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	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Derricin
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: 291.11511

Splash: splash10-03di-0090000000-9ff5f77b52c7a8bb68e2

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.
263.07	108	28	1000
260.14	102	31	944
259.06	99	32	916
231.15	68	60	631
276.13	40	15	368
248.13	35	43	326
232.21	26	59	244
245.15	12	46	113
273.19	7	18	68
233.12	6	58	51