ピーク情報

パセリ　葉

pos

Peak #4311 MN MID: SE61_S21_M90

m/z: 457.19164, RT: 35.60, 強度: 17270, ログ強度: 0.65, 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: 3-Isopropyl-5-(4-(((6-(4-(methylsulfonyl)phenyl)pyridin-3-yl)oxy)methyl)piperidin-1-yl)-1,2,4-oxadiazole

DBごとのヒット数: ALL 1 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.111

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
C23H28O4N4S	456.18313	2.701	3-Isopropyl-5-(4-(((6-(4-(methylsulfonyl)phenyl)pyridin-3-yl)oxy)methyl)piperidin-1-yl)-1,2,4-oxadiazole	HMDB: HMDB0252951

MSnスペクトル情報

Level: 2, プリカーサーm/z: 457.19162

Splash: splash10-000i-0000900000-911fcd4d33a6ae0b717f

m/z	Int.	NL	Rel.Int.
439.16	19100	18	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Vanilloyl))	Flavan 3-ol	Gallocatechin 3-O-vanillate
[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-1(OMe)-Galloyl))	Flavan 3-ol	Catechin 3-O-(3-O-methylgallate)
[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-1(OMe)-Galloyl))	Flavan 3-ol	Catechin 3-O-(4-O-methylgallate)
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(2OH)	2'-Hydroxychalcone	Kuraridinol
[CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(1OH, 1OMe, 1(C-Prenyl))	CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone	Antiarone J
[Flavanone]-A(2OH, 1(2-(2-hydroxyisopropyl)-5-methyl-4-hexenyl))-B(2OH)	Flavanone	Kushenol Q
[Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(1OH, 1OMe)	Flavanone	Kushenol P
[Flavonol]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(2OH)	Flavonol	Kushenol G
[Isoflavone]-A(2OH, 1(2,3-Dihydroxy-3-methylbutyl))-B(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone M

Level: 3, プリカーサーm/z: 439.18280

Splash: splash10-00di-0009800000-3ce08eb31e47cbd36aca

m/z	Int.	NL	Rel.Int.
421.17	6450	18	1000
359.16	2716	80	421
341.19	2263	98	350
396.12	1684	43	261
323.10	417	116	64
243.16	388	196	60

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.111	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	2'-Hydroxychalcone	Antiarone D
0.111	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	2'-Hydroxychalcone	Antiarone C
0.111	[2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe, 2(C-Prenyl))	2'-Hydroxychalcone	Antiarone E
0.105	[Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(2OH)	Flavanone	Amoradicin
0.105	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe)	Flavanone	Hiravanone
0.105	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe)	Flavanone	Flemiflavanone A
0.105	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavanone	Maackiaflavanone
0.074	[Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavonol	Broussonol E
0.074	[Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavonol	Broussonol D
0.053	[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavanone	Isosophoranone
0.053	[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavanone	Sophoraisoflavanone B
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH)	2'-Hydroxychalcone	Homoflemingin
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH)	2'-Hydroxychalcone	Flemiwallichin C
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Lavandulyl)-B(2OH)	2'-Hydroxychalcone	Kuraridin
0.000	[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH)	Flavanone	Exiguaflavanone B
0.000	[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH)	Flavanone	Exiguaflavanone F
0.000	[Flavanone]-A(2OH)-B(1OMe, 1(C-Prenyl), 1(3-Hydroxy-3-methyl-1-butenyl))	Flavanone	Burttinone
0.000	[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
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(1OH, 1OMe)	Flavanone	4'-O-Methyldiplacone
0.000	[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
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(1OH, 1OMe)	Flavanone	Isokurarinone
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(1OH, 1OMe)	Flavanone	Leachianone A
0.000	[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH)	Flavanone	Kurarinone
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(1OH, 1OMe)	Flavanone	Leachianone B
0.000	[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
0.000	[3-substituted Flavone (3-(3-Hydroxy-3-methylbutyl))]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	3-substituted Flavone	Morusinol
0.000	[3-substituted Flavone (3-(3-Hydroxy-3-methylbutyl))]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	3-substituted Flavone	Morusignin L
0.000	[Dihydroflavonol]-A(1OH, 1OMe, 1Geranyl)-B(1OH)	Dihydroflavonol	Bonanniol B
0.000	[Dihydroflavonol]-A(2OH)-B(1OH, 1(5-Carboxy-2-hydroxyphenyl))	Dihydroflavonol	Hypnum acid methyl este
0.000	[Flavonol]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(2OH, 1(C-Prenyl))	Flavonol	Broussonol C
0.000	[Flavonol]-A(2OH, 1Lavandulyl)-B(2OH)	Flavonol	Kushenol C
0.000	[Isoflavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(2OH, 1(C-Prenyl))	Isoflavone	Lupinisol B
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(2-hydroxy-3-methyl-3-butenyl))	Isoflavone	Lupinisol C
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OH, 1(C-Prenyl))	Isoflavone	Lupinisoflavone H
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone I
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone J
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Isoflavone	Lupinisolone B
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Isoflavone	Lupinisolone C
0.000	[Isoflavan]-A(2OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavan	Licorisoflavan A
0.000	[6-Hydroxydehydrorotenone (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	6-Hydroxydehydrorotenone	Villinol