ピーク情報

タバコBY-2細胞　3日目

pos

Peak #1544 MN MID: SE204_S03_M90

m/z: 423.12591, RT: 41.10, 強度: 3567, ログ強度: 0.16, アダクト: [M+Na]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (8 names) 3'-O-beta-Glucopyranosyl plumbagic acid methyl ester;Dracunculifoside E;(-)-Dracunculifoside E;Synargentolide E;(+)-Synargentolide E;Synargentolide C;(+)-Synargentolide C;Zuclopenthixol

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
C18H24O10	400.13695	-0.645	3'-O-beta-Glucopyranosyl plumbagic acid methyl ester	KNApSAcK: C00036561
C18H24O10	400.13695	-0.645	Dracunculifoside E	KNApSAcK: C00032918
C18H24O10	400.13695	-0.645	Synargentolide E	KNApSAcK: C00044338
C18H24O10	400.13695	-0.645	Synargentolide C	KNApSAcK: C00044336
C22H25ON2SCl	400.13761	-2.308	Zuclopenthixol	HMDB: HMDB0015561, HMDB0250130

MSnスペクトル情報

Level: 2, プリカーサーm/z: 423.12534

Splash: splash10-03di-0090000000-b1d8a29091135c05a227

m/z	Int.	NL	Rel.Int.
261.10	7426	162	1000

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavonol]-A(2OH, 2(C-Prenyl))-B(1OH)	Flavonol	6,8-Prenylkaempferol
[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Flavonol	Glyasperin A
[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Flavonol	Broussoflavonol F
[Isoflavone]-A(2OH, 2(C-Prenyl))-B(2OH)	Isoflavone	6,8-Diprenylorobol
[Isoflavone]-A(2OH, 2(C-Prenyl))-B(2OH)	Isoflavone	8-Prenylluteone
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavone	Isoangustone A
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavone	Angustone A
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavone	2'-Hydroxyisolupalbigenin
[Flavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavone	Epimedokoreanin B
[Flavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavone	Cudraflavone D
[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Flavanone	Euchrenone a8
[Flavanone]-A(2OH)-B(1OMe, 2(C-Prenyl))	Flavanone	Abyssinone V 4'-methyl ether
[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe, 1(C-Prenyl))	Flavanone	Nimbaflavone
[2'-Hydroxychalcone]-A(2OH, 1OMe, 2(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	5'-Prenylxanthohumol
[Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Pterocarpan	1-Methoxyficifolinol
[Aurone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Aurone	Antiarone A
[Aurone]-A(2OH)-B(2OH, 2(C-Prenyl))	Aurone	Antiarone B
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(3,7-Dimethyl-6-hydroxyocta-2,7-dienyl))-B(1OH)	2'-Hydroxychalcone	Xanthoangelol G
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	2'-Hydroxychalcone	Flemingin C
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	2'-Hydroxychalcone	Flemingin B
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Geranyl)-B(1OH)	2'-Hydroxychalcone	5-Deoxyhomoflemingin
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH)	2'-Hydroxychalcone	Flemingin E
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(3-Hydroxy-4-methyl-4-pentenyl)pyrano)))-B(1OH)	2'-Hydroxychalcone	Flemingin F
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	2'-Hydroxychalcone	Flemiwallichin B
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	2'-Hydroxychalcone	Flemiwallichin A
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(7-Methyl-7-hydroxy-4-propyl-3a,4,5,6,7,7a-hexahydrobenzofurano)))-B(none)	2'-Hydroxychalcone	Linderol A
[Dihydrochalcone alpha-ol]-A(2OH, 1(C-Xylosyl))-B(2OH)	Dihydrochalcone alpha-ol	2',4',3,4,alpha-Pentahydroxydihydrochalcone 3'-C-xyloside
[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(1OH)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone	4-Hydroxyglenoblone
[Flavanone]-A(1OH, 1Lavandulyl)-B(1OH, 1OMe)	Flavanone	Alopecurone G
[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(1OH)	Flavanone	Kushenol R
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavanone	Orotinin
[Flavanone]-A(2OH, 1(6-Ethyl-4-hydroxy-5-methyl-2-oxo-2H-pyran-3-yl))-B(none)	Flavanone	Lepidissipyrone
[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(1OH)	Flavanone	Kushenol U
[Flavanone]-A(2OH, 1Methyl)-B(1OH, 1(3-Carboxy-4-hydroxyphenyl))	Flavanone	3'-(3-Carboxy-4-hydroxyphenyl)poriol
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)furano)))-B(1OH)	Flavanone	Lupinenol
[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methyl-2,3-epoxybutyl))-B(1OH)	Flavanone	2''',3'''-Epoxylupinifolin
[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	Flavanone	Dereticulatin
[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sigmoidin F
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavanone	Dorsmanin I
[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Euchrestaflavanone C
[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Cudraflavanone A
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavanone	Flemichin D
[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	Flavanone	Kuwanon F
[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	Flavanone	Sanggenon I
[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	Flavanone	Sanggenon N
[Flavanone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	Flavanone	Kuwanol C
[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavanone	Euchrenone a9
[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sanggenol N
[Flavanone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	Flavanone	Sanggenol L
[Flavanone]-A(2OH)-B(1OH, 1([5,6:@@]-(1,1,3a-Trimethylhexahydro-4-oxa-cyclobuta[cd]indenyl)))	Flavanone	Kuwanon D
[Flavone]-A(1OMe, 1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none)	Flavone	Enantiomultijugin
[Flavone]-A(2OH)-B(1OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))	Flavone	Yinyanghuo B
[3-substituted Flavone (3-C-Prenyl)]-A(2OH, 1(C-Prenyl))-B(2OH)	3-substituted Flavone	Mulberrin
[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH, 1(C-Prenyl))	3-substituted Flavone	Kuwanon T
[3-substituted Flavone (3-C-Prenyl)]-A(2OH, 1(C-Prenyl))-B(2OH)	3-substituted Flavone	Cudraflavone C
[Flavone]-A(2OH, 1Geranyl)-B(2OH)	Flavone	Albanin E
[Dihydroflavonol]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Dihydroflavonol	3-Hydroxyminimiflorin
[Dihydroflavonol]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Dihydroflavonol	Lupinifolinol
[Flavonol]-A(2OH, 1Geranyl)-B(1OH)	Flavonol	Macarangin
[Flavonol]-A(2OH, 1Geranyl)-B(1OH)	Flavonol	Isomacarangin
[Flavan 3-ol]-A(2OH, 1(3-(4-Hydroxyphenyl)allyl))-B(2OH)	Flavan 3-ol	6-(3-(4-Hydroxyphenyl)allyl)catechin
[Isoflavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(C-Prenyl))	Isoflavone	Lupinisol A
[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Hydroxy-3-methylbutyl))-B(1OH)	Isoflavone	Euchrenone b6
[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Hydroxy-3-methylbutyl))-B(1OH)	Isoflavone	Euchrenone b7
[Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Isoflavone	Euchrenone b10
[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1(C-Prenyl))	Isoflavone	Lupinisoflavone G
[Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Isoflavone	Senegalensin
[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH, 1(C-Prenyl))	Isoflavone	Lupinisolone A
[Isoflavone]-A(2OH)-B(2OH, 1(C-Prenyl), 1(1,1-Dimethylallyl))	Isoflavone	Fremontone
[Isoflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1(C-Prenyl))	Isoflavanone	Cajanone
[Isoflavanone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH)	Isoflavanone	Lespedeol B
[Isoflavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavanone	2,3-Dihydroauriculatin
[Isoflavan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(2OH, 1OMe)	Isoflavan	Nitidulin
[6-Oxodehydrorotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	6-Oxodehydrorotenone	Villosone
[4-Hydroxy-3-phenylcoumarin]-A(2OMe, 1([2,3:@@]-(5-Isopropenylfurano)))-B(1([@@]-Methylenedioxy))	4-Hydroxy-3-phenylcoumarin	Thonningine A
[4-phenylcoumarin]-A(1OH, 1Isovaleryl, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(none)	4-phenylcoumarin	1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(3-methylbutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one
[4-phenylcoumarin]-A(1OH, 1(2-Methylbutyroyl), 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(none)	4-phenylcoumarin	1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(2-methylbutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one

Level: 3, プリカーサーm/z: 261.10205

Splash: splash10-03dr-0900000000-b05f516fd6f971c1c49c

m/z	Int.	NL	Rel.Int.
112.88	862	148	1000
188.98	694	72	804
170.83	298	90	346

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	共有数
	41.09	439.09979	15.9739	0.32	[M+K]+	(8 names) 3'-O-beta-Glucopyranosyl plumbagic acid methyl ester; Dracunculifoside E; (-)-Dracunculifoside E; Synargentolide E; (+)-Synargentolide E; Synargentolide C; (+)-Synargentolide C; Zuclopenthixol	ALL 5 KN 4 HM 1	MS2 MS3	2
1544	41.10	423.12591	0.0000	0.16	[M+Na]+	(8 names) 3'-O-beta-Glucopyranosyl plumbagic acid methyl ester; Dracunculifoside E; (-)-Dracunculifoside E; Synargentolide E; (+)-Synargentolide E; Synargentolide C; (+)-Synargentolide C; Zuclopenthixol	ALL 5 KN 4 HM 1	MS2 MS3	2
	41.10	418.17050	-4.9554	0.39	[M+NH4]+	(8 names) 3'-O-beta-Glucopyranosyl plumbagic acid methyl ester; Dracunculifoside E; (-)-Dracunculifoside E; Synargentolide E; (+)-Synargentolide E; Synargentolide C; (+)-Synargentolide C; Zuclopenthixol	ALL 5 KN 4 HM 1	MS2	6

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

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