ピーク情報

イネ　玄米　ニッポンバレ

pos

Peak #3807 MN MID: SE199_S21_M90

m/z: 335.10260, RT: 51.04, 強度: 1139, ログ強度: -0.34, 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: 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(1H-indol-3-yl)-propionic acid

DBごとのヒット数: ALL 1 HM 1

FlavonoidSearch最大スコア MS2: 0.125, MS3: 0.280

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
C19H14O4N2	334.09536	-0.115	2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(1H-indol-3-yl)-propionic acid	HMDB: HMDB0255797

MSnスペクトル情報

Level: 2, プリカーサーm/z: 335.10257

Splash: splash10-0006-0091000000-3cb499b5c15b0c4dcc39

m/z	Int.	NL	Rel.Int.
241.07	4039	94	1000
317.10	635	18	157

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.125	[Dihydroflavonol]-A(2OH, 1OMe)-B(2OH)	Dihydroflavonol	Diosalol
0.125	[Dihydroflavonol]-A(2OH)-B(2OH, 1OMe)	Dihydroflavonol	3,5,7,4',5'-Pentahydroxy-3'-methoxyflavanone
0.125	[Dihydroflavonol]-A(2OH)-B(2OH, 1OMe)	Dihydroflavonol	Pallasiin
0.053	[Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Isoflavone	Calopogoniumisoflavone A
0.053	[Flavonol]-A(4OH)-B(2OH)	Flavonol	8-Hydroxyquercetagetin
0.053	[Flavonol]-A(3OH)-B(3OH)	Flavonol	3,5,6,7,2',3',4'-Heptahydroxyflavone
0.053	[Flavonol]-A(3OH)-B(3OH)	Flavonol	Hibiscetin
0.000	[Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Coumestan	Sophoracoumestan A
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavone	Isopongaflavone
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavone	5-Methoxy-2,2-dimethyl-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
0.000	[Auronol]-A(2OH)-B(2OH, 1OMe)	Auronol	Amaronol B
0.000	[Dihydroflavonol]-A(2OH)-B(2OH, 1Hydroxymethyl)	Dihydroflavonol	6'-Hydroxymethyltaxifolin
0.000	[Dihydroflavonol]-A(2OH, 1Methyl)-B(3OH)	Dihydroflavonol	Cedrin
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavonol	Karanjachromene
0.000	[Flavan 3,4-diol (3-OMe)]-A(1OH, 1OMe)-B(2OH)	Flavan 3,4-diol	Mesquitol-4beta-ol 3,8-dimethyl ether
0.000	[Pterocarpene]-A(1OMe)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpene	3-O-Methylanhydrotuberosin
0.000	[Dehydrorotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Dehydrorotenone	Dehydrodolineone

Level: 3, プリカーサーm/z: 241.04279

Splash: splash10-001i-0920000000-a87fc5f37edb95f6d2e9

m/z	Int.	NL	Rel.Int.
183.97	2146	57	1000
223.07	392	18	182
213.02	284	28	132

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.222	[Chalcone]-A(none)-B(2OH)	Chalcone	3,4-Dihydroxychalcone
0.222	[Chalcone]-A(1OH)-B(1OH)	Chalcone	3,3'-Dihydroxychalcone
0.222	[Chalcone]-A(1OH)-B(1OH)	Chalcone	4,4'-Dihydroxychalcone
0.154	[2'-Hydroxychalcone]-A(2OH)-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxychalcone
0.154	[2'-Hydroxychalcone]-A(1OH)-B(1OH)	2'-Hydroxychalcone	2,2'-Dihydroxychalcone
0.154	[2'-Hydroxychalcone]-A(1OH)-B(1OH)	2'-Hydroxychalcone	4,2'-Dihydroxychalcone
0.143	[Flavanone]-A(1OH)-B(none)	Flavanone	7-Hydroxyflavanone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	2',beta-Dihydroxychalcone

Level: 3, プリカーサーm/z: 317.10547

Splash: splash10-000b-0090000000-8209613105c23e69ff0e

m/z	Int.	NL	Rel.Int.
299.11	133	18	1000
289.18	92	28	689
246.15	40	71	299
218.05	31	99	232
273.55	27	44	199
274.24	21	43	160
203.32	20	114	150
261.10	18	56	138
271.38	17	46	128
272.26	14	45	107
263.13	11	54	83
287.25	8	30	56
259.24	7	58	55
241.04	7	76	53
245.51	7	72	53

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.280	[Isoflavone]-A(2OH)-B(2OH, 1OMe)	Isoflavone	Junipegenin A
0.280	[Isoflavone]-A(3OH, 1OMe)-B(1OH)	Isoflavone	5,6,7,4'-Tetrahydroxy-8-methoxyisoflavone
0.280	[Isoflavone]-A(3OH)-B(1OH, 1OMe)	Isoflavone	5,6,7,4'-Tetrahydroxy-3'-methoxyisoflavone
0.143	[Isoflavanone]-A(1OH)-B(1OH, 2OMe)	Isoflavanone	7,4'-Dihydroxy-3',5'-dimethoxyisoflavanone
0.143	[Isoflavanone]-A(1OH)-B(1OH, 2OMe)	Isoflavanone	Violanone
0.143	[Isoflavanone]-A(1OH)-B(1OH, 2OMe)	Isoflavanone	Lespedeol C
0.143	[Isoflavanone]-A(2OH)-B(2OMe)	Isoflavanone	Homoferreirin
0.143	[Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Isoflavanone	Cajanol
0.143	[Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Isoflavanone	7,4'-Dihydroxy-5,2'-dimethoxyisoflavanone
0.125	[Anthocyanidin]-A(2OH)-B(2OH, 1OMe)	Anthocyanidin	Petunidin
0.125	[Anthocyanidin]-A(1OH, 1OMe)-B(3OH)	Anthocyanidin	Pulchellidin
0.115	[Flavonol]-A(1OH, 1OMe)-B(2OH)	Flavonol	7-Methoxy-3,6,3',4'-tetrahydroxyflavone
0.115	[Flavonol]-A(1OH, 1OMe)-B(2OH)	Flavonol	3,7,3',4'-Tetrahydroxy-8-methoxyflavone
0.115	[Flavonol]-A(1OH, 1OMe)-B(2OH)	Flavonol	Azaleatin
0.115	[Flavonol]-A(1OH, 1OMe)-B(2OH)	Flavonol	Rhamnetin
0.115	[Flavonol]-A(2OH, 1OMe)-B(1OH)	Flavonol	Vogeletin
0.115	[Flavonol]-A(2OH, 1OMe)-B(1OH)	Flavonol	6-Methoxykaempferol
0.115	[Flavonol]-A(2OH, 1OMe)-B(1OH)	Flavonol	3,5,6,4'-Tetrahydroxy-7-methoxyflavone
0.115	[Flavonol]-A(2OH, 1OMe)-B(1OH)	Flavonol	3,5,8,2'-Tetrahydroxy-7-methoxyflavone
0.115	[Flavonol]-A(2OH, 1OMe)-B(1OH)	Flavonol	Pollenitin
0.115	[Flavonol]-A(2OH, 1OMe)-B(1OH)	Flavonol	Sexangularetin
0.115	[Flavonol]-A(3OH)-B(1OMe)	Flavonol	3,5,6,7-Tetrahydroxy-4'-methoxyflavone
0.115	[Flavonol]-A(3OH)-B(1OMe)	Flavonol	Herbacetin 4'-methyl ether
0.115	[Flavonol]-A(2OH)-B(1OH, 1OMe)	Flavonol	3'-O-Methylmelanoxetin
0.115	[Flavonol]-A(2OH)-B(1OH, 1OMe)	Flavonol	Isorhamnetin
0.115	[Flavonol]-A(2OH)-B(1OH, 1OMe)	Flavonol	Tamarixetin
0.115	[Flavonol]-A(2OH)-B(1OH, 1OMe)	Flavonol	Milimorin
0.059	[Dihydroflavonol (3-OMe)]-A(1OMe)-B(2OH)	Dihydroflavonol	Fustin 3,7-dimethyl ether
0.050	[Pterocarpan]-A(1OH)-B(1OH, 2OMe)	Pterocarpan	Philenopteran
0.050	[Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe)	Pterocarpan	2,8-Dihydroxy-3,9-dimethoxypterocarpan
0.050	[Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe)	Pterocarpan	Mucronucarpan
0.050	[Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe)	Pterocarpan	Nissolicarpin
0.050	[Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe)	Pterocarpan	Melilotocarpan D
0.050	[Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe)	Pterocarpan	Melilotocarpan E
0.048	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OMe)	Dihydroflavonol	Aromadendrin 7,4'-dimethyl ether
0.048	[Dihydroflavonol]-A(2OMe)-B(1OH)	Dihydroflavonol	Aromadendrin 5,7-dimethyl ether
0.043	[2'-Hydroxychalcone]-A(3OH, 2OMe)-B(none)	2'-Hydroxychalcone	3',4',6'-Trihydroxy-2',5'-dimethoxychalcone
0.043	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH, 1OMe)	2'-Hydroxychalcone	2',4',4-Trihydroxy-3',3-methoxychalcone
0.043	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH, 1OMe)	2'-Hydroxychalcone	3,4',6'-Trihydroxy-4,2'-dimethoxychalcone
0.043	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH, 1OMe)	2'-Hydroxychalcone	4,2',6'-Trihydroxy-3,4'-dimethoxychalcone
0.043	[2'-Hydroxychalcone]-A(3OH)-B(2OMe)	2'-Hydroxychalcone	Okanin 3,4-dimethyl ether
0.040	[Flavanone]-A(2OH)-B(2OMe)	Flavanone	Eriodictyol 3',4'-dimethyl ether
0.040	[Flavanone]-A(1OH, 2OMe)-B(1OH)	Flavanone	5,4'-Dihydroxy-6,7-dimethoxyflavanone
0.040	[Flavanone]-A(1OH, 2OMe)-B(1OH)	Flavanone	Dihydroskullcap flavone I
0.040	[Flavanone]-A(1OH, 2OMe)-B(1OH)	Flavanone	5,4'-Dihydroxy-7,8-dimethoxyflavanone
0.040	[Flavanone]-A(2OH, 2OMe)-B(none)	Flavanone	Didymocarpin A
0.040	[Flavanone]-A(2OH, 1OMe)-B(1OMe)	Flavanone	7,8-Dihydroxy-6,4'-dimethoxyflavanone
0.040	[Flavanone]-A(2OH, 1OMe)-B(1OMe)	Flavanone	5,7-Dihydroxy-8,2'-dimethoxyflavanone
0.040	[Flavanone]-A(2OH, 1OMe)-B(1OMe)	Flavanone	5,7-Dihydroxy-8,4'-dimethoxyflavanone
0.040	[Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavanone	7,4'-Dihydroxy-8,3'-dimethoxyflavanone
0.040	[Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavanone	5,2'-Dihydroxy-7,5'-dimethoxyflavanone
0.040	[Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavanone	5,3'-Dihydroxy-7,2'-dimethoxyflavanone
0.040	[Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavanone	Eriodictyol 5,4'-dimethyl ether
0.040	[Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavanone	Eriodictyol 7,3'-dimethyl ether
0.040	[Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavanone	Persicogenin
0.040	[Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavanone	5,2'-Dihydroxy-7,4'-dimethoxyflavanone
0.000	[Flavone]-A(2OH)-B(2OH, 1OMe)	Flavone	Tricetin 3'-methyl ether
0.000	[Flavone]-A(2OH)-B(2OH, 1OMe)	Flavone	Tricetin 4'-methyl ether
0.000	[Flavone]-A(1OH, 1OMe)-B(3OH)	Flavone	Tricetin 7-methyl ether
0.000	[Flavone]-A(3OH)-B(1OH, 1OMe)	Flavone	Nodifloretin
0.000	[Flavone]-A(3OH)-B(1OH, 1OMe)	Flavone	6-Hydroxyluteolin 4'-methyl ether
0.000	[Flavone]-A(2OH, 1OMe)-B(2OH)	Flavone	Carajuflavone
0.000	[Flavone]-A(2OH, 1OMe)-B(2OH)	Flavone	Nepetin
0.000	[Flavone]-A(2OH, 1OMe)-B(2OH)	Flavone	Pedalitin
0.000	[Flavone]-A(3OH)-B(1OH, 1OMe)	Flavone	Hypolaetin 3'-methyl ether
0.000	[Flavone]-A(3OH)-B(1OH, 1OMe)	Flavone	Hypolaetin 4'-methyl ether
0.000	[Flavone]-A(2OH, 1OMe)-B(2OH)	Flavone	Onopordin
0.000	[Dihydrochalcone]-A(1OH, 2OMe)-B(1OMe)	Dihydrochalcone	Flavokawin A
0.000	[Dihydrochalcone]-A(none)-B(1OH, 3OMe)	Dihydrochalcone	2-Hydroxy-3,4,6-trimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(none)-B(1OH, 3OMe)	Dihydrochalcone	2-Hydroxy-4,5,6-trimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(3OMe)-B(1OH)	Dihydrochalcone	4-Hydroxy-2',4',6'-trimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH)-B(3OMe)	Dihydrochalcone	Loureirin B
0.000	[Dihydrochalcone]-A(1OH, 3OMe)-B(none)	Dihydrochalcone	2'-Hydroxy-3',4',6'-trimethoxydihydrochalcone
0.000	[Aurone]-A(1OH, 1OMe)-B(3OH)	Aurone	Bracteatin 4-Methyl ether
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 2Methyl)-B(1OH)	Dihydrochalcone	4,2',6'-Trihydroxy-4'-methoxy-3',5'-dimethyldihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy))	Dihydrochalcone	2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(2OMe)-B(1OMe)	Dihydrochalcone alpha-ol	O-Methylodoratol
0.000	[Flavanone]-A(1OH, 1OMe, 1Methyl)-B(2OH)	Flavanone	7,3',4'-Trihydroxy-5-methoxy-6-C-methylflavanone
0.000	[Flavanone]-A(2OH, 2Methyl)-B(2OH)	Flavanone	Cyrtominetin
0.000	[Flavanone]-A(1OH, 1([@@]-Methylenedioxy))-B(2OH)	Flavanone	5,2',3'-Trihydroxy-6,7-methylenedioxyflavanone
0.000	[2-Hydroxyflavanone]-A(1OH, 2OMe, 1Methyl)-B(none)	2-Hydroxyflavanone	Mosloflavanone
0.000	[Dihydroflavonol]-A(2OH, 1Methyl)-B(1OMe)	Dihydroflavonol	3,5,7-Trihydroxy-4'-methoxy-6-methylflavanone
0.000	[Dihydroflavonol]-A(1OH, 1OMe, 1Methyl)-B(1OH)	Dihydroflavonol	3,7,4'-Trihydroxy-5-methoxy-6-methylflavanone
0.000	[CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(2OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone	Crombeone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(2OH)	Flavonol	3-Methoxy-6,7,3',4'-tetrahydroxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(2OH)	Flavonol	Transilitin
0.000	[Flavonol (3-OMe)]-A(2OH)-B(2OH)	Flavonol	Quercetin 3-methyl ether
0.000	[Flavonol]-A(2OH, 1Methyl)-B(2OH)	Flavonol	Pinoquercetin
0.000	[Flavonol]-A(2OH, 1Methyl)-B(2OH)	Flavonol	8-C-Methylquercetin
0.000	[Flavonol (3-OMe)]-A(3OH)-B(1OH)	Flavonol	5,6,7,4'-Tetrahydroxy-3-methoxyflavone
0.000	[Flavonol (3-OMe)]-A(3OH)-B(1OH)	Flavonol	3-Methylherbacetin
0.000	[Flavan 4-ol]-A(2OMe)-B(1OMe)	Flavan 4-ol	4-Hydroxy-5,7,4'-trimethoxyflavan
0.000	[Flavan 4-ol]-A(2OH, 2Methyl)-B(1OMe)	Flavan 4-ol	4,5,7-Trihydroxy-4'-methoxy-6,8-dimethylflavan
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol]-A(1OMe)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol	7-O-Methylpeltogynol
0.000	[Flavan]-A(1OH, 1OMe)-B(2OMe)	Flavan	2-(3,5-Dimethoxyphenyl)-3,4-dihydro-7-methoxy-2H-1-benzopyran-5-ol
0.000	[Flavan]-A(1OH, 1OMe)-B(2OMe)	Flavan	5-Hydroxy-7,3',4'-trimethoxyflavan
0.000	[Flavan]-A(2OMe)-B(1OH, 1OMe)	Flavan	4'-Hydroxy-5,7,3'-trimethoxyflavan
0.000	[Isoflavanone]-A(1OH, 1OMe, 1Methyl)-B(2OH)	Isoflavanone	Ougenin
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH)-B(2OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan	Pendulone
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH, 1OMe)-B(1OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan	Mucroquinone
0.000	[isoflavan-4-ol]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(none)	isoflavan-4-ol	Lapathinol
0.000	[isoflavene]-A(2OH)-B(1OH, 2OMe)	isoflavene	6,7,3'-Trihydroxy-2',4'-dimethoxyisoflavene
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	6a,7-Dihydroxymaackiain
0.000	[12a-Hydroxyrotenone]-A(2OH)-B(1OH)	12a-Hydroxyrotenone	4,9,11,12a-Tetrahydroxyrotenoid
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(3OH)	4-phenylcoumarin	5,2',4',5'-Tetrahydroxy-7-methoxy-4-phenylcoumarin
0.000	[Dalbergiquinol]-A(1OH, 3OMe)-B(1OH)	Dalbergiquinol	Kuhlmanniquinol