ピーク情報

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Peak #3686 MN MID: SE205_S02_M90

m/z: 317.18589, RT: 39.98, 強度: 30324, ログ強度: 0.96, 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: (6 names) Neoselaginellic acid;(-)-Neoselaginellic acid;Grandiamide C;Dasyclamide;Pandamarilactone 3;2(1H)-Pyrimidinone,5-[3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro-

DBごとのヒット数: ALL 5 KN 4 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: -

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
C18H24O3N2	316.17869	-0.256	Neoselaginellic acid	KNApSAcK: C00047524
C18H24O3N2	316.17869	-0.256	Dasyclamide	KNApSAcK: C00038948
C18H24O3N2	316.17869	-0.256	Grandiamide C	KNApSAcK: C00037215
C18H24O3N2	316.17869	-0.256	Pandamarilactone 3	KNApSAcK: C00053630
C18H24O3N2	316.17869	-0.256	2(1H)-Pyrimidinone,5-[3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro-	HMDB: HMDB0244563

MSnスペクトル情報

Level: 2, プリカーサーm/z: 317.18536

Splash: splash10-014r-0490000000-a5df87c6a756e678e635

m/z	Int.	NL	Rel.Int.
218.05	107975	99	1000
187.06	31033	130	287
186.05	25314	131	234

FlavonoidSearch結果

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

Level: 3, プリカーサーm/z: 218.05145

Splash: splash10-000i-0900000000-81c6ca479d7359dc7704

m/z	Int.	NL	Rel.Int.
187.07	64522	31	1000
186.09	30613	32	474
160.14	6992	58	108

Level: 3, プリカーサーm/z: 187.06274

Splash: splash10-0006-0900000000-f9f157569515c13be4f1

m/z	Int.	NL	Rel.Int.
144.05	447	43	1000
186.21	120	1	268
169.96	51	17	113