ピーク情報

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Peak #4659 MN MID: SE112_S030221_M90

m/z: 434.27468, RT: 96.89, 強度: 2361, ログ強度: -0.02, アダクト: [M+CH5N+H]+, 共有数（同様のピークを含むサンプル数）: 24

DB検索結果: (4 names) 5S,15S-dihydroxy-9S,11R,8S,12S-diperoxy-6E,13E-eicosadienoic acid;3,3-Bis(carboxymethyl)hexadecanedioic acid;Acetyl tributyl citrate;Cinitapride

DBごとのヒット数: ALL 4 HM 3 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.071

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
C20H34O8	402.22537	-0.398	5S,15S-dihydroxy-9S,11R,8S,12S-diperoxy-6E,13E-eicosadienoic acid	LipidMAPS: LMFA03000011
C20H34O8	402.22537	-0.398	3,3-Bis(carboxymethyl)hexadecanedioic acid	HMDB: HMDB0257897
C20H34O8	402.22537	-0.398	Acetyl tributyl citrate	HMDB: HMDB0034159
C21H30O4N4	402.22671	-3.723	Cinitapride	HMDB: HMDB0015698

MSnスペクトル情報

Level: 2, プリカーサーm/z: 434.27509

Splash: splash10-0udi-0001900000-dd6ead26844a1132acd3

m/z	Int.	NL	Rel.Int.
402.98	4748	31	1000
328.83	811	105	170

Level: 3, プリカーサーm/z: 402.98422

Splash: splash10-004i-0009000000-2e59d72859f798c2eb7e

m/z	Int.	NL	Rel.Int.
328.95	552	74	1000
217.05	29	186	52

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.071	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexone B
0.000	[Flavone]-A(2OMe)-B(4OMe)	Flavone	5,6,2',3',5',6'-Hexamethoxyflavone
0.000	[Flavone]-A(3OMe)-B(3OMe)	Flavone	5,6,8,3',4',5'-Hexamethoxyflavone
0.000	[Flavone]-A(2OMe)-B(4OMe)	Flavone	5,6,2',3',4',6'-Hexamethoxyflavone
0.000	[Flavone]-A(3OMe)-B(3OMe)	Flavone	5,6,7,3',4',5'-Hexamethoxyflavone
0.000	[Flavone]-A(3OMe)-B(3OMe)	Flavone	Bannamurpanisin
0.000	[Flavone]-A(4OMe)-B(2OMe)	Flavone	Nobiletin
0.000	[Dihydroflavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(2OH)	Dihydroflavonol	Paraibanol
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH)	2'-Hydroxychalcone	8-p-Coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
0.000	[CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(2OMe)	CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone	Antiarone K
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(none)	Flavanone	Calomelanol I
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH)	Flavanone	Calomelanol H
0.000	[Flavone]-A(2OH, 1(C-Xylosyl))-B(1OH)	Flavone	Cerarvensin
0.000	[Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH)	Flavone	Isomollupentin
0.000	[Flavone]-A(2OH, 1(C-Arabinosyl))-B(1OH)	Flavone	Mollupentin
0.000	[Flavone]-A(1OH, 3OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavone	7-Hydroxy-5,6,8,3'-tetramethoxy-4',5'-methylenedioxyflavone
0.000	[Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Cinnamoyl))	Dihydroflavonol	Pinobanksin 3-O-cinnamate
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(3OMe)	Flavonol	Myricetin hexamethyl ether
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(3OMe)	Flavonol	3,5,7,2',4',5'-Hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(2OMe)	Flavonol	Quercetagetin hexamethyl ether
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(2OMe)	Flavonol	Gossypetin hexamethyl ether
0.000	[Flavonol (3-OMe)]-A(4OMe)-B(1OMe)	Flavonol	3,5,6,7,8,4'-Hexamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy))	Flavonol	5-Demethylmelibentin
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy))	Flavonol	2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(2OMe, 1(3-hydroxy-3-methylbutyl))	Pterocarpan-6a-ol	Sphenostylin D
0.000	[4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none)	4-phenylcoumarin	Inophyllum E
0.000	[4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none)	4-phenylcoumarin	Tomentolide A

Level: 3, プリカーサーm/z: 328.82715

Splash: splash10-0a4i-0900000000-4fdd6b5f1b5430837164

m/z	Int.	NL	Rel.Int.
156.85	20	172	1000

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	Grantionin
[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	Zapotinin
[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	5-Hydroxy-7,2',5'-trimethoxyflavone
[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	5-Hydroxy-7,2',6'-trimethoxyflavone
[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	Luteolin 5,3',4'-trimethyl ether
[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	Luteolin 7,3',4'-trimethyl ether
[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	Noratocarpetin 7,2',4'-trimethyl ether
[Flavone]-A(1OH, 2OMe)-B(1OMe)	Flavone	6-Hydroxy-5,7,4'-trimethoxyflavone
[Flavone]-A(1OH, 2OMe)-B(1OMe)	Flavone	Salvigenin
[Flavone]-A(1OH, 2OMe)-B(1OMe)	Flavone	7-Hydroxy-5,8,2'-trimethoxyflavone
[Flavone]-A(1OH, 2OMe)-B(1OMe)	Flavone	Andrographin
[Flavone]-A(1OH, 2OMe)-B(1OMe)	Flavone	Isoscutellarein 7,8,4'-trimethyl ether
[Flavone]-A(1OH, 3OMe)-B(none)	Flavone	8-Hydroxy-5,6,7-trimethoxyflavone
[Flavone]-A(1OH, 3OMe)-B(none)	Flavone	Alnetin
[Chalcone]-A(4OMe)-B(none)	Chalcone	2',3',4',6'-Tetramethoxychalcone
[Isoflavone]-A(1OMe)-B(1OH, 2OMe)	Isoflavone	2'-Hydroxy-7,3',4'-trimethoxyisoflavone
[Isoflavone]-A(1OH, 2OMe)-B(1OMe)	Isoflavone	5-Methoxyafrormosin
[Isoflavone]-A(1OH, 2OMe)-B(1OMe)	Isoflavone	7,4'-Di-O-methyltectorigenin
[Isoflavone]-A(1OH, 2OMe)-B(1OMe)	Isoflavone	Iso-5-methoxyafrormosin
[Isoflavone]-A(1OH)-B(3OMe)	Isoflavone	7-Hydroxy-2',4',5'-trimethoxyisoflavone
[Isoflavone]-A(1OH, 1OMe)-B(2OMe)	Isoflavone	Cladrastin
[Isoflavone]-A(1OH, 1OMe)-B(2OMe)	Isoflavone	7-Hydroxy-8,3',4'-trimethoxyisoflavone
[Flavonol]-A(3OMe)-B(none)	Flavonol	3-Hydroxy-5,7,8-trimethoxyflavone
[Flavonol]-A(2OMe)-B(1OMe)	Flavonol	3-Hydroxy-7,8,4'-trimethoxyflavone
[Flavonol]-A(1OMe)-B(2OMe)	Flavonol	Fisetin 7,3',4'-trimethyl ether
[Aurone]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1OMe)	Aurone	6,3'-Dihydroxy-4,4'-dimethoxy-5-methylaurone
[Aurone]-A(1OH, 2OMe)-B(1OMe)	Aurone	5-Hydroxy-4,6,4'-trimethoxyaurone
[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	2'-Hydroxychalcone	Tephrone
[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe, 1Formyl, 1Methyl)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	3'-Formyl-2',6',beta-trihydroxy-4'-methoxy-5'-methylchalcone
[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe)-B(1([@@]-Methylenedioxy))	beta-Hydroxy(or Oxodihydro)chalcone	Milletenone
[UBR-type derivative / 2',4'-Dioxo-6'-cyclohexenyl-type Chalcone]-A(1OH, 4Methyl)-B(1OH)	UBR-type derivative / 2',4'-Dioxo-6'-cyclohexenyl-type Chalcone	2-Hydroxy-7,8-dehydrograndiflorone
[Flavanone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavanone	7,2'-Dimethoxy-4',5'-methylenedioxyflavanone
[Flavanone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavanone	6,7-Dimethoxy-3',4'-methylenedioxyflavanone
[Flavanone]-A(2OMe, 1Hydroxymethyl, 1Methyl)-B(none)	Flavanone	5-O-Methylleridol
[Flavanone]-A(1OH, 1OMe, 2Methyl)-B(1OMe)	Flavanone	5-Hydroxy-7,4'-dimethoxy-6,8-di-C-methylflavanone
[Flavanone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavanone	5,7-Dimethoxy-3',4'-methylenedioxyflavanone
[Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe)	Flavanone	Betagarin
[Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe)	Flavanone	5,4'-Dimethoxy-6,7-methylenedioxyflavanone
[Flavone]-A(1OH, 1OMe, 2Methyl)-B(2OH)	Flavone	5,3',4'-Trihydroxy-7-methoxy-6,8-dimethylflavone
[Flavone]-A(2OH, 1([@@]-Methylenedioxy))-B(1OMe)	Flavone	Kanzakiflavone 1
[Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Propionyl))	Dihydroflavonol	Pinobanksin 3-O-propionate
[Dihydroflavonol]-A(1OH, 1OMe)-B(none)-C(1(O-Acetyl))	Dihydroflavonol	3,5-Dihydroxy-7-methoxyflavanone 3-O-acetate
[Dihydroflavonol]-A(2OH, 1Methyl)-B(none)-C(1(O-Acetyl))	Dihydroflavonol	6-Methypinobanksin 3-O-acetate
[Flavonol (3-OMe)]-A(2OMe)-B(1OH)	Flavonol	Kaempferol 3,5,7-trimethyl ether
[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OMe)	Flavonol	Kaempferol 3,7,4'-trimethyl ether
[Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OH)	Flavonol	8-Demethyllatifolin
[Flavonol]-A(1OH, 1OMe, 2Methyl)-B(1OH)	Flavonol	6,8-Di-C-methylkaempferol 7-methyl ether
[Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(1OH)	Flavonol	5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none)	Flavonol	Alnustin
[Flavonol (3-OMe)]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH)	Flavonol	5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none)	Flavonol	7-Hydroxy-3,5,8-trimethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none)	Flavonol	Methylgnaphaliin
[Flavonol (3-OMe)]-A(2OH, 1OMe, 1Methyl)-B(none)	Flavonol	Platanin 3,7-dimethyl ether
[CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol (4-OMe)]-A(1OH)-B(1([@@]-Methylenedioxy))	CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol	4-O-Methyl-3',4'-methylenedioxymopanan-4alpha-ol
[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Isoflavone	5,3'-Dihydroxy-2'-methoxy-6,7-methylenedioxyisoflavone
[Isoflavone]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Dalspinin
[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Isoflavone	5,4'-Trihydroxy-3'-methoxy-6,7-methylenedioxyisoflavone
[Isoflavanone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Isoflavanone	6,7-Dimethoxy-3',4'-methylenedioxyisoflavanone
[Pterocarpan]-A(2OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan	2-Methoxypterocarpin
[Pterocarpan]-A(2OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan	4-Methoxypterocarpin
[Pterocarpan-6a-ol]-A(1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Acanthocarpan
[Pterocarpan-6-ol (3-OMe)]-A(1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan-6-ol	6-Methoxypterocarpin
[UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene]-A(1OH, 1OMe)-B(1OMe)	UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene	Bryaquinone
[Pterocarpene]-A(1OMe)-B(1OH, 2OMe)	Pterocarpene	Bryacarpene 2
[Pterocarpene]-A(1OH, 1OMe)-B(2OMe)	Pterocarpene	Bryacarpene 4
[4-phenylcoumarin]-A(2OMe)-B(1OH, 1OMe)	4-phenylcoumarin	3'-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin
[4-phenylcoumarin]-A(1OH, 2OMe)-B(1OMe)	4-phenylcoumarin	Exostemin

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	FS3	共有数
4659	96.89	434.27468	0.0000	-0.02	[M+CH5N+H]+	(4 names) 5S,15S-dihydroxy-9S,11R,8S,12S-diperoxy-6E,13E-eicosadienoic acid; 3,3-Bis(carboxymethyl)hexadecanedioic acid; Acetyl tributyl citrate; Cinitapride	ALL 4 HM 3 LM 1	MS2 MS3 x 2	0.071	24
	96.86	425.21454	-9.0601	0.01	[M+Na]+	(4 names) 5S,15S-dihydroxy-9S,11R,8S,12S-diperoxy-6E,13E-eicosadienoic acid; 3,3-Bis(carboxymethyl)hexadecanedioic acid; Acetyl tributyl citrate; Cinitapride	ALL 4 HM 3 LM 1	MS2		20
	96.87	420.25916	-14.0155	0.24	[M+NH4]+	(4 names) 5S,15S-dihydroxy-9S,11R,8S,12S-diperoxy-6E,13E-eicosadienoic acid; 3,3-Bis(carboxymethyl)hexadecanedioic acid; Acetyl tributyl citrate; Cinitapride	ALL 4 HM 3 LM 1			17

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

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