ピーク情報

タバコBY-2細胞　3日目

pos

Peak #1545 MN MID: SE204_S03_M90

m/z: 439.09979, RT: 41.09, 強度: 5214, ログ強度: 0.32, アダクト: [M+K]+, 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	-0.799	3'-O-beta-Glucopyranosyl plumbagic acid methyl ester	KNApSAcK: C00036561
C18H24O10	400.13695	-0.799	Dracunculifoside E	KNApSAcK: C00032918
C18H24O10	400.13695	-0.799	Synargentolide E	KNApSAcK: C00044338
C18H24O10	400.13695	-0.799	Synargentolide C	KNApSAcK: C00044336
C22H25ON2SCl	400.13761	-2.463	Zuclopenthixol	HMDB: HMDB0015561, HMDB0250130

MSnスペクトル情報

Level: 2, プリカーサーm/z: 439.09921

Splash: splash10-004i-0090000000-aa3ea71fab8ca830584d

m/z	Int.	NL	Rel.Int.
277.03	2288	162	1000

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavonol	Broussonol E
[Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavonol	Broussonol D
[Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(2OH)	Flavanone	Amoradicin
[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe)	Flavanone	Hiravanone
[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe)	Flavanone	Flemiflavanone A
[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavanone	Maackiaflavanone
[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	2'-Hydroxychalcone	Antiarone D
[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	2'-Hydroxychalcone	Antiarone C
[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavanone	Isosophoranone
[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavanone	Sophoraisoflavanone B
[2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe, 2(C-Prenyl))	2'-Hydroxychalcone	Antiarone E
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH)	2'-Hydroxychalcone	Homoflemingin
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH)	2'-Hydroxychalcone	Flemiwallichin C
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Lavandulyl)-B(2OH)	2'-Hydroxychalcone	Kuraridin
[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH)	Flavanone	Exiguaflavanone B
[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH)	Flavanone	Exiguaflavanone F
[Flavanone]-A(2OH)-B(1OMe, 1(C-Prenyl), 1(3-Hydroxy-3-methyl-1-butenyl))	Flavanone	Burttinone
[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(1-Hydroxy-3-methyl-2,3-epoxybutyl))-B(1OH)	Flavanone	1'''-Hydroxy-2''',3'''-Epoxylupinifolin
[Flavanone]-A(2OH, 1Geranyl)-B(1OH, 1OMe)	Flavanone	4'-O-Methyldiplacone
[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(1,1-Dimethylallyl))	Flavanone	5,7,4'-Trihydroxy-2'-methoxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone
[Flavanone]-A(2OH, 1Lavandulyl)-B(1OH, 1OMe)	Flavanone	Isokurarinone
[Flavanone]-A(2OH, 1Lavandulyl)-B(1OH, 1OMe)	Flavanone	Leachianone A
[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH)	Flavanone	Kurarinone
[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(1OH, 1OMe)	Flavanone	Leachianone B
[Flavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	Flavone	6,3'-(2-hydroxy-3-methyl-3-butenyl)apigenin
[3-substituted Flavone (3-(3-Hydroxy-3-methylbutyl))]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	3-substituted Flavone	Morusinol
[3-substituted Flavone (3-(3-Hydroxy-3-methylbutyl))]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	3-substituted Flavone	Morusignin L
[Dihydroflavonol]-A(1OH, 1OMe, 1Geranyl)-B(1OH)	Dihydroflavonol	Bonanniol B
[Dihydroflavonol]-A(2OH)-B(1OH, 1(5-Carboxy-2-hydroxyphenyl))	Dihydroflavonol	Hypnum acid methyl este
[Flavonol]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(2OH, 1(C-Prenyl))	Flavonol	Broussonol C
[Flavonol]-A(2OH, 1Lavandulyl)-B(2OH)	Flavonol	Kushenol C
[Isoflavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(2OH, 1(C-Prenyl))	Isoflavone	Lupinisol B
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(2-hydroxy-3-methyl-3-butenyl))	Isoflavone	Lupinisol C
[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OH, 1(C-Prenyl))	Isoflavone	Lupinisoflavone H
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone I
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone J
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Isoflavone	Lupinisolone B
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Isoflavone	Lupinisolone C
[Isoflavan]-A(2OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavan	Licorisoflavan A
[6-Hydroxydehydrorotenone (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	6-Hydroxydehydrorotenone	Villinol

Level: 3, プリカーサーm/z: 277.02875

Splash: splash10-004i-0900000000-7600189b6bfecca0cd4a

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MSnスペクトル情報

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