ピーク情報

パパイア完熟生

pos

Peak #3284 MN MID: SE118_S071091_M90

m/z: 485.19907, RT: 52.82, 強度: 1532, ログ強度: -0.22, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (2 names) Patrinoside;Valerosidatum

DBごとのヒット数: ALL 2 KG 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.250

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
C21H34O11	462.21011	-0.577	Patrinoside	KEGG: C11640 KNApSAcK: C00010645, C00010646
C21H34O11	462.21011	-0.577	Valerosidatum	KEGG: C17068 KNApSAcK: C00010723

MSnスペクトル情報

Level: 2, プリカーサーm/z: 485.19901

Splash: splash10-014i-0009000000-c7727809fdbfd3278fd1

m/z	Int.	NL	Rel.Int.
317.16	2613	168	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydrochalcone]-A(2OH, 1OMe, 1(2x2-hydroxybenzyl))-B(none)	Dihydrochalcone	Angoluvarin
[Dihydrochalcone]-A(2OH, 1OMe, 1(2-Hydroxybenzyl), 1(2-Hydroxybenzyl))-B(none)	Dihydrochalcone	Diuvaretin
[Flavanone]-A(1OH, 1(1(O-Cinnamoyl)-2,2-Dimethyl-3-hydroxytetrahydro-4-furanyl))-B(none)	Flavanone	Tephrorin B

Level: 3, プリカーサーm/z: 317.22568

Splash: splash10-004i-0190000000-015313d40ef6a4c545e4

m/z	Int.	NL	Rel.Int.
229.11	202	88	1000
184.99	34	132	169

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.250	[Dihydrochalcone]-A(1OH, 3OMe)-B(none)	Dihydrochalcone	2'-Hydroxy-3',4',6'-trimethoxydihydrochalcone
0.077	[Anthocyanidin]-A(2OH)-B(2OH, 1OMe)	Anthocyanidin	Petunidin
0.077	[Anthocyanidin]-A(1OH, 1OMe)-B(3OH)	Anthocyanidin	Pulchellidin
0.067	[Flavonol]-A(1OH, 1OMe)-B(2OH)	Flavonol	7-Methoxy-3,6,3',4'-tetrahydroxyflavone
0.067	[Flavonol]-A(1OH, 1OMe)-B(2OH)	Flavonol	3,7,3',4'-Tetrahydroxy-8-methoxyflavone
0.067	[Flavonol]-A(1OH, 1OMe)-B(2OH)	Flavonol	Azaleatin
0.067	[Flavonol]-A(1OH, 1OMe)-B(2OH)	Flavonol	Rhamnetin
0.067	[Flavonol]-A(2OH, 1OMe)-B(1OH)	Flavonol	Vogeletin
0.067	[Flavonol]-A(2OH, 1OMe)-B(1OH)	Flavonol	6-Methoxykaempferol
0.067	[Flavonol]-A(2OH, 1OMe)-B(1OH)	Flavonol	3,5,6,4'-Tetrahydroxy-7-methoxyflavone
0.067	[Flavonol]-A(2OH, 1OMe)-B(1OH)	Flavonol	3,5,8,2'-Tetrahydroxy-7-methoxyflavone
0.067	[Flavonol]-A(2OH, 1OMe)-B(1OH)	Flavonol	Pollenitin
0.067	[Flavonol]-A(2OH, 1OMe)-B(1OH)	Flavonol	Sexangularetin
0.067	[Flavonol]-A(3OH)-B(1OMe)	Flavonol	3,5,6,7-Tetrahydroxy-4'-methoxyflavone
0.067	[Flavonol]-A(3OH)-B(1OMe)	Flavonol	Herbacetin 4'-methyl ether
0.067	[Flavonol]-A(2OH)-B(1OH, 1OMe)	Flavonol	3'-O-Methylmelanoxetin
0.067	[Flavonol]-A(2OH)-B(1OH, 1OMe)	Flavonol	Isorhamnetin
0.067	[Flavonol]-A(2OH)-B(1OH, 1OMe)	Flavonol	Tamarixetin
0.067	[Flavonol]-A(2OH)-B(1OH, 1OMe)	Flavonol	Milimorin
0.056	[Isoflavone]-A(2OH)-B(2OH, 1OMe)	Isoflavone	Junipegenin A
0.056	[Isoflavone]-A(3OH, 1OMe)-B(1OH)	Isoflavone	5,6,7,4'-Tetrahydroxy-8-methoxyisoflavone
0.056	[Isoflavone]-A(3OH)-B(1OH, 1OMe)	Isoflavone	5,6,7,4'-Tetrahydroxy-3'-methoxyisoflavone
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	[Dihydroflavonol (3-OMe)]-A(1OMe)-B(2OH)	Dihydroflavonol	Fustin 3,7-dimethyl ether
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(1OMe)	Dihydroflavonol	Aromadendrin 7,4'-dimethyl ether
0.000	[Dihydroflavonol]-A(2OMe)-B(1OH)	Dihydroflavonol	Aromadendrin 5,7-dimethyl ether
0.000	[Flavanone]-A(2OH)-B(2OMe)	Flavanone	Eriodictyol 3',4'-dimethyl ether
0.000	[Flavanone]-A(1OH, 2OMe)-B(1OH)	Flavanone	5,4'-Dihydroxy-6,7-dimethoxyflavanone
0.000	[Flavanone]-A(1OH, 2OMe)-B(1OH)	Flavanone	Dihydroskullcap flavone I
0.000	[Flavanone]-A(1OH, 2OMe)-B(1OH)	Flavanone	5,4'-Dihydroxy-7,8-dimethoxyflavanone
0.000	[Flavanone]-A(2OH, 2OMe)-B(none)	Flavanone	Didymocarpin A
0.000	[Flavanone]-A(2OH, 1OMe)-B(1OMe)	Flavanone	7,8-Dihydroxy-6,4'-dimethoxyflavanone
0.000	[Flavanone]-A(2OH, 1OMe)-B(1OMe)	Flavanone	5,7-Dihydroxy-8,2'-dimethoxyflavanone
0.000	[Flavanone]-A(2OH, 1OMe)-B(1OMe)	Flavanone	5,7-Dihydroxy-8,4'-dimethoxyflavanone
0.000	[Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavanone	7,4'-Dihydroxy-8,3'-dimethoxyflavanone
0.000	[Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavanone	5,2'-Dihydroxy-7,5'-dimethoxyflavanone
0.000	[Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavanone	5,3'-Dihydroxy-7,2'-dimethoxyflavanone
0.000	[Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavanone	Eriodictyol 5,4'-dimethyl ether
0.000	[Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavanone	Eriodictyol 7,3'-dimethyl ether
0.000	[Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavanone	Persicogenin
0.000	[Flavanone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavanone	5,2'-Dihydroxy-7,4'-dimethoxyflavanone
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	[2'-Hydroxychalcone]-A(3OH, 2OMe)-B(none)	2'-Hydroxychalcone	3',4',6'-Trihydroxy-2',5'-dimethoxychalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH, 1OMe)	2'-Hydroxychalcone	2',4',4-Trihydroxy-3',3-methoxychalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH, 1OMe)	2'-Hydroxychalcone	3,4',6'-Trihydroxy-4,2'-dimethoxychalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH, 1OMe)	2'-Hydroxychalcone	4,2',6'-Trihydroxy-3,4'-dimethoxychalcone
0.000	[2'-Hydroxychalcone]-A(3OH)-B(2OMe)	2'-Hydroxychalcone	Okanin 3,4-dimethyl ether
0.000	[Pterocarpan]-A(1OH)-B(1OH, 2OMe)	Pterocarpan	Philenopteran
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe)	Pterocarpan	2,8-Dihydroxy-3,9-dimethoxypterocarpan
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe)	Pterocarpan	Mucronucarpan
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe)	Pterocarpan	Nissolicarpin
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe)	Pterocarpan	Melilotocarpan D
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1OMe)	Pterocarpan	Melilotocarpan E
0.000	[Isoflavanone]-A(1OH)-B(1OH, 2OMe)	Isoflavanone	7,4'-Dihydroxy-3',5'-dimethoxyisoflavanone
0.000	[Isoflavanone]-A(1OH)-B(1OH, 2OMe)	Isoflavanone	Violanone
0.000	[Isoflavanone]-A(1OH)-B(1OH, 2OMe)	Isoflavanone	Lespedeol C
0.000	[Isoflavanone]-A(2OH)-B(2OMe)	Isoflavanone	Homoferreirin
0.000	[Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Isoflavanone	Cajanol
0.000	[Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Isoflavanone	7,4'-Dihydroxy-5,2'-dimethoxyisoflavanone
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

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS2	FS3	共有数
3284	52.82	485.19907	0.0000	-0.22	[M+Na]+	(2 names) Patrinoside; Valerosidatum	ALL 2 KG 2	MS2 MS3		0.250	4
	52.82	480.24358	-4.9555	0.49	[M+NH4]+	(3 names) Patrinoside; Valerosidatum; N-desmethyl loperamide	ALL 3 KG 2 HM 1				13

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