ピーク情報

イネ　葉　ニッポンバレ

pos

Peak #4783 MN MID: SE199_S41_M90

m/z: 630.16435, RT: 51.81, 強度: 20523, ログ強度: 0.72, 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: (-)-1-[5-Chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-4(R)-hydroxy-L-proline N,N-dimethylamide

DBごとのヒット数: ALL 1 HM 1

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
C30H32O8N3SCl	629.15986	-4.436	(-)-1-[5-Chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-4(R)-hydroxy-L-proline N,N-dimethylamide	HMDB: HMDB0242195

MSnスペクトル情報

Level: 2, プリカーサーm/z: 630.16418

Splash: splash10-001i-0009210000-cf88f15cf9d84d47aff3

m/z	Int.	NL	Rel.Int.
331.19	11140	299	1000
491.22	3654	139	327
509.35	2085	121	187
329.19	1452	301	130
508.61	656	122	58

Level: 3, プリカーサーm/z: 331.13062

Splash: splash10-014i-0019000000-3a241ea96a8adb45bf94

m/z	Int.	NL	Rel.Int.
315.09	2275	16	1000
316.13	1697	15	745
270.02	478	61	210
298.14	114	33	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.800	[Flavone]-A(2OH)-B(1OH, 2OMe)	Flavone	6,7,4'-Trihydroxy-3',5'-dimethoxyflavone
0.800	[Flavone]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavone	5,4',5'-Trihydroxy-6,2'-dimethoxyflavone
0.800	[Flavone]-A(2OH)-B(1OH, 2OMe)	Flavone	Apometzgerin
0.800	[Flavone]-A(2OH)-B(1OH, 2OMe)	Flavone	Tricin
0.800	[Flavone]-A(2OMe)-B(3OH)	Flavone	Isoetin 5,7-dimethyl ether
0.800	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	5,2',6'-Trihydroxy-6,7-dimethoxyflavone
0.800	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	6-Hydroxyluteolin 5,6-dimethyl ether
0.800	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Jaceosidin
0.800	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Desmethoxycentaureidin
0.800	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	Cirsiliol
0.800	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	6-Hydroxyluteolin 7,3'-dimethyl ether
0.800	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Nuchensin
0.800	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Tamaridone
0.800	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	5,2',3'-Trihydroxy-7,8-dimethoxyflavone
0.800	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	Rehderianin I
0.800	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	Viscidulin II
0.800	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	5,7,2'-Trihydroxy-8,6'-dimethoxyflavone
0.800	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Hypolaetin 7,3'-dimethyl ether
0.800	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Hypolaetin 8,3'-dimethyl ether
0.800	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	5,8,2'-Trihydroxy-6,7-dimethoxyflavone
0.800	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	5,7,2'-trihydroxy-6,8-dimethoxyflavone
0.800	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	Isothymusin
0.800	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	Desmethoxysudachitin
0.800	[Flavone]-A(3OH, 1OMe)-B(1OMe)	Flavone	5,6,8-Trihydroxy-7,4'-dimethoxyflavone
0.800	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	Thymusin
0.800	[Flavone]-A(3OH, 1OMe)-B(1OMe)	Flavone	5,6,7-Trihydroxy-8,4'-dimethoxyflavone
0.267	[Anthocyanidin]-A(1OH, 1OMe)-B(2OH, 1OMe)	Anthocyanidin	Europinidin
0.267	[Anthocyanidin]-A(2OH)-B(1OH, 2OMe)	Anthocyanidin	Malvidin
0.200	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	Podospicatin
0.200	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	Iristectorigenin B
0.200	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	Iristectorigenin A
0.200	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	5,7,4'-Trihydroxy-8,3'-dimethoxyisoflavone
0.200	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	5,7,3'-Trihydroxy-8,4'-dimethoxyisoflavone
0.200	[Isoflavone]-A(1OH, 2OMe)-B(2OH)	Isoflavone	6-Methoxyorobol 7-methyl ether
0.200	[Isoflavone]-A(2OH)-B(1OH, 2OMe)	Isoflavone	2'-Hydroxy-5'-methoxybiochanin A
0.176	[Flavonol]-A(2OH, 2OMe)-B(none)	Flavonol	3,5,7-Trihydroxy-6,8-dimethoxyflavone
0.176	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Betuletol
0.176	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	3,5,6-Trihydroxy-7,4'-dimethoxyflavone
0.176	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Herbacetin 7,4'-dimethyl ether
0.176	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Prudomestin
0.176	[Flavonol]-A(1OH, 2OMe)-B(1OH)	Flavonol	6-Hydroxykaempferol 5,6-dimethyl ether
0.176	[Flavonol]-A(1OH, 2OMe)-B(1OH)	Flavonol	Herbacetin 7,8-dimethyl ether
0.176	[Flavonol]-A(1OH)-B(1OH, 2OMe)	Flavonol	Laurentinol
0.176	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	3,5,2'-Trihydroxy-7,5'-dimethoxyflavone
0.176	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Quercetin 5,3'-dimethyl ether
0.176	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Quercetin 5,4'-dimethyl ether
0.176	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Rhamnazin
0.176	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Ombuin
0.176	[Flavonol]-A(2OH)-B(2OMe)	Flavonol	Morelosin
0.176	[Flavonol]-A(2OH)-B(2OMe)	Flavonol	Dillenetin
0.083	[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OH)	2'-Hydroxychalcone	4,6'-Dihydroxy-2',3',4'-trimethoxychalcone
0.083	[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OH)	2'-Hydroxychalcone	4,2'-Dihydroxy-3',4',6'-trimethoxychalcone
0.083	[2'-Hydroxychalcone]-A(2OH, 2OMe)-B(1OMe)	2'-Hydroxychalcone	2',4'-Dihydroxy-2,3',6'-trimethoxychalcone
0.083	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OMe)	2'-Hydroxychalcone	Okanin 3,4,3'-trimethyl ether
0.083	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OMe)	2'-Hydroxychalcone	Cerasin
0.083	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH, 1OMe)	2'-Hydroxychalcone	4,2'-Dihydroxy-3,4',6'-trimethoxychalcone
0.083	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH, 1OMe)	2'-Hydroxychalcone	3,2'-Dihydroxy-4,4',6'-trimethoxychalcone
0.083	[2'-Hydroxychalcone]-A(2OH, 3OMe)-B(none)	2'-Hydroxychalcone	Pedicin
0.071	[Chalcone]-A(1OH, 4OMe)-B(none)	Chalcone	Isodidymocarpin
0.071	[Flavanone]-A(1OH, 3OMe)-B(none)	Flavanone	Isopedicin
0.071	[Flavanone]-A(1OH, 3OMe)-B(none)	Flavanone	5-Hydroxy-6,7,8-trimethoxyflavanone
0.071	[Flavanone]-A(1OH, 3OMe)-B(none)	Flavanone	Kwangsienin A
0.071	[Flavanone]-A(2OMe)-B(1OH, 1OMe)	Flavanone	4'-Hydroxy-5,7,2'-trimethoxyflavanone
0.071	[Flavanone]-A(3OMe)-B(1OH)	Flavanone	4'-Hydroxy-5,6,7-trimethoxyflavanone
0.071	[Flavanone]-A(1OH, 2OMe)-B(1OMe)	Flavanone	5-Hydroxy-6,7,4'-trimethoxyflavanone
0.071	[Flavanone]-A(1OH, 2OMe)-B(1OMe)	Flavanone	7-Hydroxy-5,8,2'-trimethoxyflavanone
0.071	[Flavanone]-A(1OH, 2OMe)-B(1OMe)	Flavanone	5-Hydroxy-7,8,4'-trimethoxyflavanone
0.071	[Flavanone]-A(1OH, 1OMe)-B(2OMe)	Flavanone	5-Hydroxy-7,2',3'-trimethoxyflavanone
0.071	[Flavanone]-A(1OH, 1OMe)-B(2OMe)	Flavanone	Eriodictyol 7,3',4'-trimethyl ether
0.071	[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: 491.23541

Splash: splash10-0a4i-0000900000-ddf978bc09def6118a2c

m/z	Int.	NL	Rel.Int.
459.21	1367	32	1000
476.33	535	15	391
473.20	257	18	188
331.25	93	160	67

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.111	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(2OMe)	Flavone	Isoorientin 7,3',4'-trimethyl ether
0.053	[Flavone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavone	Dorsilurin A
0.050	[Isoflavone]-A(2OH, 2(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavone	Euchrenone b2
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)