ピーク情報

イネ　葉　ニッポンバレ

pos

Peak #6016 MN MID: SE199_S41_M90

m/z: 509.14475, RT: 61.55, 強度: 5312, ログ強度: 0.00, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (3 names) 2-(Diphenylmethyl)-N-((2-iodophenyl)methyl)-3-quinuclidinamine;Picramnioside D;(+)-Picramnioside D

DBごとのヒット数: ALL 2 KN 1 HM 1

FlavonoidSearch最大スコア MS2: 0.038, MS3: 0.074

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
C27H29N2I	508.13755	-0.146	2-(Diphenylmethyl)-N-((2-iodophenyl)methyl)-3-quinuclidinamine	HMDB: HMDB0253855
C27H24O10	508.13695	1.035	Picramnioside D	KNApSAcK: C00037635, C00037636

MSnスペクトル情報

Level: 2, プリカーサーm/z: 509.14465

Splash: splash10-000x-0005900000-8a732fa7e609aba18196

m/z	Int.	NL	Rel.Int.
491.23	5108	18	1000
331.07	4217	178	825
459.19	1745	50	341
463.23	1045	46	204
479.34	752	30	147
492.36	704	17	137
355.22	683	154	133
329.17	436	180	85
476.24	407	33	79
313.08	385	196	75
465.17	351	44	68
473.22	342	36	66
464.27	293	45	57
385.12	267	124	52
315.15	266	194	52

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.080	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 2(C-Prenyl))	Dihydroflavonol	Petalostemumol
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(2OH, 1Geranyl)	Flavanone	Tanariflavanone A
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone J
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Geranyl)-B(3OH)	Flavanone	Tomentosanol E
0.000	[Dihydroflavonol]-A(2OH, 1(C-Prenyl), 1Lavandulyl)-B(2OH)	Dihydroflavonol	Kushenol M
0.000	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1Geranyl)	Dihydroflavonol	Sanggenol K
0.000	[Dihydroflavonol]-A(2OH)-B(2OH, 1(C-Prenyl), 1Geranyl)	Dihydroflavonol	Sanggenol D

Level: 3, プリカーサーm/z: 331.20117

Splash: splash10-014i-0019000000-a2a1542b530b0eb6c730

m/z	Int.	NL	Rel.Int.
315.10	794	16	1000
316.09	489	15	616
270.04	163	61	205
331.20	88	-0	110

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.600	[Flavone]-A(2OH)-B(1OH, 2OMe)	Flavone	6,7,4'-Trihydroxy-3',5'-dimethoxyflavone
0.600	[Flavone]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavone	5,4',5'-Trihydroxy-6,2'-dimethoxyflavone
0.600	[Flavone]-A(2OH)-B(1OH, 2OMe)	Flavone	Apometzgerin
0.600	[Flavone]-A(2OH)-B(1OH, 2OMe)	Flavone	Tricin
0.600	[Flavone]-A(2OMe)-B(3OH)	Flavone	Isoetin 5,7-dimethyl ether
0.600	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	5,2',6'-Trihydroxy-6,7-dimethoxyflavone
0.600	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	6-Hydroxyluteolin 5,6-dimethyl ether
0.600	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Jaceosidin
0.600	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Desmethoxycentaureidin
0.600	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	Cirsiliol
0.600	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	6-Hydroxyluteolin 7,3'-dimethyl ether
0.600	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Nuchensin
0.600	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Tamaridone
0.600	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	5,2',3'-Trihydroxy-7,8-dimethoxyflavone
0.600	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	Rehderianin I
0.600	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	Viscidulin II
0.600	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	5,7,2'-Trihydroxy-8,6'-dimethoxyflavone
0.600	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Hypolaetin 7,3'-dimethyl ether
0.600	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Hypolaetin 8,3'-dimethyl ether
0.600	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	5,8,2'-Trihydroxy-6,7-dimethoxyflavone
0.600	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	5,7,2'-trihydroxy-6,8-dimethoxyflavone
0.600	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	Isothymusin
0.600	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	Desmethoxysudachitin
0.600	[Flavone]-A(3OH, 1OMe)-B(1OMe)	Flavone	5,6,8-Trihydroxy-7,4'-dimethoxyflavone
0.600	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	Thymusin
0.600	[Flavone]-A(3OH, 1OMe)-B(1OMe)	Flavone	5,6,7-Trihydroxy-8,4'-dimethoxyflavone
0.200	[Anthocyanidin]-A(1OH, 1OMe)-B(2OH, 1OMe)	Anthocyanidin	Europinidin
0.200	[Anthocyanidin]-A(2OH)-B(1OH, 2OMe)	Anthocyanidin	Malvidin
0.150	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	Podospicatin
0.150	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	Iristectorigenin B
0.150	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	Iristectorigenin A
0.150	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	5,7,4'-Trihydroxy-8,3'-dimethoxyisoflavone
0.150	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	5,7,3'-Trihydroxy-8,4'-dimethoxyisoflavone
0.150	[Isoflavone]-A(1OH, 2OMe)-B(2OH)	Isoflavone	6-Methoxyorobol 7-methyl ether
0.150	[Isoflavone]-A(2OH)-B(1OH, 2OMe)	Isoflavone	2'-Hydroxy-5'-methoxybiochanin A
0.118	[Flavonol]-A(2OH, 2OMe)-B(none)	Flavonol	3,5,7-Trihydroxy-6,8-dimethoxyflavone
0.118	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Betuletol
0.118	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	3,5,6-Trihydroxy-7,4'-dimethoxyflavone
0.118	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Herbacetin 7,4'-dimethyl ether
0.118	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Prudomestin
0.118	[Flavonol]-A(1OH, 2OMe)-B(1OH)	Flavonol	6-Hydroxykaempferol 5,6-dimethyl ether
0.118	[Flavonol]-A(1OH, 2OMe)-B(1OH)	Flavonol	Herbacetin 7,8-dimethyl ether
0.118	[Flavonol]-A(1OH)-B(1OH, 2OMe)	Flavonol	Laurentinol
0.118	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	3,5,2'-Trihydroxy-7,5'-dimethoxyflavone
0.118	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Quercetin 5,3'-dimethyl ether
0.118	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Quercetin 5,4'-dimethyl ether
0.118	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Rhamnazin
0.118	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Ombuin
0.118	[Flavonol]-A(2OH)-B(2OMe)	Flavonol	Morelosin
0.118	[Flavonol]-A(2OH)-B(2OMe)	Flavonol	Dillenetin
0.091	[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OH)	2'-Hydroxychalcone	4,6'-Dihydroxy-2',3',4'-trimethoxychalcone
0.091	[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OH)	2'-Hydroxychalcone	4,2'-Dihydroxy-3',4',6'-trimethoxychalcone
0.091	[2'-Hydroxychalcone]-A(2OH, 2OMe)-B(1OMe)	2'-Hydroxychalcone	2',4'-Dihydroxy-2,3',6'-trimethoxychalcone
0.091	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OMe)	2'-Hydroxychalcone	Okanin 3,4,3'-trimethyl ether
0.091	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OMe)	2'-Hydroxychalcone	Cerasin
0.091	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH, 1OMe)	2'-Hydroxychalcone	4,2'-Dihydroxy-3,4',6'-trimethoxychalcone
0.091	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH, 1OMe)	2'-Hydroxychalcone	3,2'-Dihydroxy-4,4',6'-trimethoxychalcone
0.091	[2'-Hydroxychalcone]-A(2OH, 3OMe)-B(none)	2'-Hydroxychalcone	Pedicin
0.077	[Chalcone]-A(1OH, 4OMe)-B(none)	Chalcone	Isodidymocarpin
0.077	[Flavanone]-A(1OH, 3OMe)-B(none)	Flavanone	Isopedicin
0.077	[Flavanone]-A(1OH, 3OMe)-B(none)	Flavanone	5-Hydroxy-6,7,8-trimethoxyflavanone
0.077	[Flavanone]-A(1OH, 3OMe)-B(none)	Flavanone	Kwangsienin A
0.077	[Flavanone]-A(2OMe)-B(1OH, 1OMe)	Flavanone	4'-Hydroxy-5,7,2'-trimethoxyflavanone
0.077	[Flavanone]-A(3OMe)-B(1OH)	Flavanone	4'-Hydroxy-5,6,7-trimethoxyflavanone
0.077	[Flavanone]-A(1OH, 2OMe)-B(1OMe)	Flavanone	5-Hydroxy-6,7,4'-trimethoxyflavanone
0.077	[Flavanone]-A(1OH, 2OMe)-B(1OMe)	Flavanone	7-Hydroxy-5,8,2'-trimethoxyflavanone
0.077	[Flavanone]-A(1OH, 2OMe)-B(1OMe)	Flavanone	5-Hydroxy-7,8,4'-trimethoxyflavanone
0.077	[Flavanone]-A(1OH, 1OMe)-B(2OMe)	Flavanone	5-Hydroxy-7,2',3'-trimethoxyflavanone
0.077	[Flavanone]-A(1OH, 1OMe)-B(2OMe)	Flavanone	Eriodictyol 7,3',4'-trimethyl ether
0.077	[Flavanone]-A(1OH, 1OMe)-B(2OMe)	Flavanone	Cerasinone
0.000	[Dihydroflavonol (3-OMe)]-A(1OH, 1OMe)-B(1OMe)	Dihydroflavonol	7-Hydroxy-3,5,4'-trimethoxyflavanone
0.000	[Dihydroflavonol]-A(2OMe)-B(1OMe)	Dihydroflavonol	3-Hydroxy-5,7,4'-trimethoxyflavanone
0.000	[Pterocarpan]-A(1OH, 2OMe)-B(1OMe)	Pterocarpan	4-Hydroxy-2,3,9-trimethoxypterocarpan
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(2OMe)	Pterocarpan	Melilotocarpan C
0.000	[Pterocarpan]-A(1OH)-B(3OMe)	Pterocarpan	9-O-Methylphilenopteran
0.000	[Pterocarpan]-A(2OMe)-B(1OH, 1OMe)	Pterocarpan	Odoricarpan
0.000	[Isoflavanone]-A(1OH)-B(3OMe)	Isoflavanone	3'-O-Methylviolanone
0.000	[Isoflavanone]-A(1OMe)-B(1OH, 2OMe)	Isoflavanone	3'-Methoxyisosativanone
0.000	[Dihydrochalcone beta-ol]-A(2OMe, 1([@@]-Methylenedioxy))-B(none)	Dihydrochalcone beta-ol	beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone
0.000	[Flavanone]-A(2OH, 2Methyl)-B(1OH, 1OMe)	Flavanone	5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone
0.000	[Flavanone]-A(2OH, 2Methyl)-B(1OH, 1OMe)	Flavanone	2'-Hydroxymatteucinol
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone]-A(1OH, 1OMe)-B(1OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone	Remerin
0.000	[Dihydroflavonol]-A(2OH)-B(1OH)-C(1(O-Acetyl))	Dihydroflavonol	Aromadendrin 3-O-acetate
0.000	[CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH, 1OMe)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone	5-Methoxypeltogynone
0.000	[CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH, 1OMe)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone	5-Methoxymopanone
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH)	Flavonol	7,3',4'-Trihydroxy-3,8-dimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe)	Flavonol	7,8,4'-Trihydroxy-3,3'-dimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe)	Flavonol	Quercetin 3,3'-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe)	Flavonol	Quercetin 3,4'-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH)	Flavonol	Caryatin
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH)	Flavonol	Quercetin 3,7-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH)	Flavonol	6-C-Methylquercetin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH)	Flavonol	8-C-Methylquercetin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(3OH)-B(1OMe)	Flavonol	6-Hydroxykaempferol 3,4'-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH)	Flavonol	6-Methoxykaempferol 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH)	Flavonol	6-Hydroxykaempferol 3,7-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(3OH)-B(1OMe)	Flavonol	5,7,8-Trihydroxy-3,4'-dimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH)	Flavonol	3,7-Dimethylherbacetin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH)	Flavonol	Herbacetin 3,8-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(3OH, 1OMe)-B(none)	Flavonol	5,7,8-Trihydroxy-3,6-dimethoxyflavone
0.000	[Flavan 3-ol]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavan 3-ol	3',4'-Methylenedioxy catechin 5,7-dimethyl ether
0.000	[CCS-type derivative / [2,3,4:5,4a,4]-(6-oxodihydropyrano)-Flavan 3-ol]-A(1OH)-B(2OH)	CCS-type derivative / [2,3,4:5,4a,4]-(6-oxodihydropyrano)-Flavan 3-ol	Dryopterin
0.000	[CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan]-A(2OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan	8-Hydroxy-5,5-dimethylpeltogynan
0.000	[Flavan 4-ol (4-OMe)]-A(2OH, 2Methyl)-B(1OMe)	Flavan 4-ol	5,7-Dihydroxy-4,4'-dimethoxy-6,8-dimethylflavan
0.000	[Pterocarpan]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan	Trifolian
0.000	[Pterocarpan-6a-ol]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Hildecarpin
0.000	[Pterocarpan-6a-ol]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Tephrocarpin
0.000	[12a-Hydroxyrotenone]-A(1OH, 1OMe)-B(1OH)	12a-Hydroxyrotenone	4,11,12a-Trihydroxy-9-methoxyrotenone
0.000	[4-phenylcoumarin]-A(1OH, 2OMe)-B(2OH)	4-phenylcoumarin	8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin

Level: 3, プリカーサーm/z: 491.21893

Splash: splash10-056r-0001900000-83abf0223d2a63aa6cdd

m/z	Int.	NL	Rel.Int.
476.22	733	15	1000
459.18	634	32	864
473.30	361	18	492
331.18	194	160	264
460.28	155	31	211
477.24	133	14	181
475.43	115	16	156
355.36	80	136	109
463.25	78	28	106
160.89	66	330	89
431.28	62	60	84
458.25	43	33	58
474.29	42	17	57

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.074	[Flavone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavone	Dorsilurin A
0.071	[Isoflavone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavone	Euchrenone b2
0.056	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OMe)	Flavone	Isoorientin 7,3',4'-trimethyl ether
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1(1-(2-Hydroxy-5-methoxycarbonylphenyl)-3-methylbut-2-enyl))-B(none)	Dihydrochalcone	Piperaduncin A
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(6-Ethyl-4-hydroxy-5-methyl-2-oxo-2H-pyran-3-yl))-B(none)	Flavanone	8-Prenyllepidissipyrone
0.000	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Amorinin
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1(C-Prenyl))	Flavanone	Amoridin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	Flavanone	Tanariflavanone B
0.000	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Euchrenone a6
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-acetate
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 6''-O-acetate
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Orientin 2''-O-acetate
0.000	[Flavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH)	Flavone	Orientin 6''-O-acetate
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(2OH, 2(C-Prenyl))-B(2OH)	3-substituted Flavone	Artelasticin
0.000	[3-substituted Flavone (3-Geranyl)]-A(2OH, 1(C-Prenyl))-B(2OH)	3-substituted Flavone	Rubraflavone C
0.000	[3-substituted Flavone (3-Geranyl)]-A(2OH, 1(C-Prenyl))-B(2OH)	3-substituted Flavone	Artocommunol CD
0.000	[Flavone]-A(2OH, 1Farnesyl)-B(2OH)	Flavone	Moralbanone
0.000	[UBR-type derivative / 2'-Oxo, 4-hydroxy-(2,1'),(3,4)-butadiene-type 3-substituted Flavone ([2,3:4,3]-(6,6-Dimethyldihydropyrano))]-A(2([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	UBR-type derivative / 2'-Oxo, 4-hydroxy-(2,1'),(3,4)-butadiene-type 3-substituted Flavone	Dorsilurin E
0.000	[Isoflavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH)	Isoflavone	Orobol 6-C-(6''-acetylglucoside)
0.000	[Isoflavone]-A(2OH, 1(1(O-Acetyl)-C-Glu))-B(2OH)	Isoflavone	Orobol 8-C-(6''-acetylglucoside)