ピーク情報

ポプラ, 幼植物, 地上部

pos

Peak #6445 MN MID: SE205_S08_M90

m/z: 517.24373, RT: 56.96, 強度: 22291, ログ強度: 0.75, 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: (9 names) Vaalens 5;[3R-[3alpha,5beta(E),5aalpha,6alpha,9beta,9aalpha,10R*]]-10-(Acetyloxy)octahydro-9-hydroxy-6-[(hydroxyacetyl)oxy]-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-phenyl-2-prop...

DBごとのヒット数: ALL 7 KN 5 LM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.056

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
C28H36O9	516.23593	1.000	Vaalens 5	KNApSAcK: C00013174
C28H36O9	516.23593	1.000	(1beta,3beta,5beta)-1,3,5-[(1R)-ethylidynetris(oxy)]-2,14beta-dihydroxy-19beta-acetoxy-bufa-20,22-dienolide	LipidMAPS: LMST01130051
C28H36O9	516.23593	1.000	Kupitengester 4	KNApSAcK: C00051171
C28H36O9	516.23593	1.000	2beta,3beta-diacetoxy-14beta-hydroxy-19-oxo-5beta-bufa-20,22-dienolide	LipidMAPS: LMST01130046
C28H36O9	516.23593	1.000	Austalide A	HMDB: HMDB0030005 KNApSAcK: C00054592
C28H36O9	516.23593	1.000	Ejap 2	KNApSAcK: C00013184
C28H36O9	516.23593	1.000	Arisanschinin J	KNApSAcK: C00047729

MSnスペクトル情報

Level: 2, プリカーサーm/z: 517.24316

Splash: splash10-0a4j-0519300000-deeb2104ea0650901394

m/z	Int.	NL	Rel.Int.
308.93	4087	208	1000
499.06	1215	18	297
146.91	1208	370	295
164.97	760	352	185
191.14	679	326	166
480.79	304	36	74
291.02	274	226	67
209.03	210	308	51

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: 308.93250

Splash: splash10-0002-0910000000-e33b0ed34a335768b949

m/z	Int.	NL	Rel.Int.
146.99	1928	162	1000
291.11	378	18	195

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.056	[Flavanone]-A(1OH, 1(C-Prenyl))-B(none)	Flavanone	Ovaliflavanone B
0.056	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Isocordoin
0.000	[2'-Hydroxychalcone]-A(2OH, 1(1,1-Dimethylallyl))-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-3'-(1,1-Dimethylallyl)chalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	O-Methylpongamol
0.000	[Flavanone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Flavanone	3',4'-Methylenedioxy-[2'',3'':7,8]furanoflavanone
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(1OH)	Flavone	3'-Hydroxy-6-methoxyfurano[2'',3'':7,8]flavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Flavonol	3-Hydroxy-6-methoxyfurano[2'',3'':7,8]flavone
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neodulin

Level: 3, プリカーサーm/z: 499.06000

Splash: splash10-0537-0915400000-2f1c5955b894b86028a7

m/z	Int.	NL	Rel.Int.
191.16	114	308	1000
146.90	75	352	658
481.26	70	18	618
308.97	63	190	555
290.84	22	208	192
463.06	20	36	179
305.01	12	194	106
360.99	12	138	106
164.91	11	334	95
335.68	9	163	80
363.01	9	136	80
438.42	9	61	80
437.41	9	62	76
190.52	8	309	69
281.30	8	218	68
373.58	8	125	67
212.14	7	287	63
247.16	7	252	58
387.07	7	112	57
455.23	7	44	57

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone	Artonol D
0.000	[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-<5-(3,4-Dihydroxyphenyl)-3-hydroxypentanoyl>))	Flavan 3-ol	Phylloflavan