ピーク情報

タバコBY-2細胞　7日目

pos

Peak #1406 MN MID: SE204_S07_M90

m/z: 453.10022, RT: 37.07, 強度: 11397, ログ強度: 0.63, 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: (2 names) 5-(1,1-Dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide;Bispyribac

DBごとのヒット数: ALL 2 KG 1 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.273

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
C20H19O4N4SF	430.11110	-0.249	5-(1,1-Dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide	HMDB: HMDB0259494
C19H18O8N4	430.11246	-3.409	Bispyribac	KEGG: C10915, [f]C18453

MSnスペクトル情報

Level: 2, プリカーサーm/z: 453.10031

Splash: splash10-0a4i-0000900000-87cce32a406430c1937a

m/z	Int.	NL	Rel.Int.
409.07	12119	44	1000

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavonol]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe)	Flavonol	Dorsmanin D
[Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(1OH, 1OMe)	Flavanone	Amoradinin
[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4-hydroxy-5-methoxypyrano)))-B(1OH)	2'-Hydroxychalcone	Derrichalcone
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe)	2'-Hydroxychalcone	Kushenol D
[Dihydrochalcone]-A(2OH, 1(2-Hydroxybenzyl), 1([2,3:@@]-(4-hydrochromeno)))-B(none)	Dihydrochalcone	Chamuvaritin
[Dihydrochalcone]-A(3OH, 1(C-Glu))-B(2OH)	Dihydrochalcone	Aspalathin
[Dihydrochalcone alpha-ol]-A(2OH, 1(C-Glu))-B(2OH)	Dihydrochalcone alpha-ol	Coatline B
[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methoxy-4,4-dimethyl-2-oxetanylmethyl))-B(1OH)	Flavanone	Derriflavanone
[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe)	Flavanone	2'-Methoxykurarinone
[Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(2OH)	Flavanone	3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone
[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4,5-diacetoxypyrano)))-B(none)	Flavone	9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
[Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))	Flavone	Epimedokoreanin A
[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl))	3-substituted Flavone	Heteroartonin A
[CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone	Artonin S
[Flavonol (3-OMe)]-A(2OH, 2(C-Prenyl))-B(2OH)	Flavonol	Broussoflavonol B
[Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH)	Flavan 3-ol	6-C-Glucopyranosylcatechin
[Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH)	Flavan 3-ol	8-C-Glucopyranosylcatechin
[Flavan 3-ol]-A(2OH, 1(C-Galactosyl))-B(2OH)	Flavan 3-ol	Catechin 8-C-beta-D-galactoside
[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH)	Flavan 3-ol	Cinchonain Ib
[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH)	Flavan 3-ol	Cinchonain Ic
[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Coumaroyl))	Flavan 3-ol	Gallocatechin 3-O-p-coumarate

Level: 3, プリカーサーm/z: 409.08606

Splash: splash10-014i-0059000000-89b5f8a330d3d5745c22

m/z	Int.	NL	Rel.Int.
367.16	896	42	1000
204.86	374	204	417
227.02	364	182	406
391.06	350	18	390
365.11	57	44	63

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.273	[Dihydroflavonol]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Dihydroflavonol	3-Hydroxyglabrol
0.188	[Flavanone]-A(2OH)-B(1OH, 2(C-Prenyl))	Flavanone	Abyssinone V
0.188	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH)	Flavanone	6,8-Diprenylnaringenin
0.188	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Flavanone	Euchrestaflavanone A
0.188	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Flavanone	Macarangaflavanone B
0.000	[2'-Hydroxychalcone]-A(2OH, 1(3,7-Dimethyl-6-hydroxyocta-2,7-dienyl))-B(1OH)	2'-Hydroxychalcone	Xanthoangelol B
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	2'-Hydroxychalcone	Paratocarpin D
0.000	[2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Paratocarpin E
0.000	[2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Bartericin A
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	2'-Hydroxychalcone	Bartericin D
0.000	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))	2'-Hydroxychalcone	Anthyllin
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	2'-Hydroxychalcone	Bartericin C
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Bartericin B
0.000	[2'-Hydroxychalcone]-A(2OH, 1Geranyl)-B(2OH)	2'-Hydroxychalcone	3'-Geranyl-3,4,2',4'-tetrahydroxychalcone
0.000	[2'-Hydroxychalcone]-A(2OH)-B(2OH, 1Geranyl)	2'-Hydroxychalcone	Kuwanol D
0.000	[2'-Hydroxychalcone]-A(2OH, 1Lavandulyl)-B(2OH)	2'-Hydroxychalcone	Ammothamnidin
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Cedrediprenone
0.000	[2'-Hydroxychalcone]-A(3OH, 1Geranyl)-B(1OH)	2'-Hydroxychalcone	3'-Geranylchalconaringenin
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	beta-Hydroxy(or Oxodihydro)chalcone	Glyinflanin A
0.000	[Dihydrochalcone]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	Dihydrochalcone	4,2',4'-Trihydroxy-6''-methyl-6''-(4-methyl-3-pentenyl)pyrano[2'',3'':3,2]dihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	Dihydrochalcone	Methyllinderatin
0.000	[Flavanone]-A(1OH, 1Lavandulyl)-B(2OH)	Flavanone	Lehmannin
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(1OH)	Flavanone	Kushenol A
0.000	[Flavanone]-A(2OH, 1(2-Isopropenyl-5-methyl-5-hexenyl))-B(1OH)	Flavanone	Remangiflavanone A
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(1OH)	Flavanone	Bonannione A
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(1OH)	Flavanone	Sophoraflavanone A
0.000	[Flavanone]-A(2OH)-B(1OH, 1Geranyl)	Flavanone	Macarangaflavanone A
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(1OH)	Flavanone	Leachianone E
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	Flavanone	Paratocarpin J
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	Flavanone	Euchrenone a16
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(4-Methyl-5-hydoxy-3a,6a-dihydro-6-oxocyclopenta[b]furano)))-B(1OH, 1OMe)	Flavone	Torosaflavone C
0.000	[Dihydroflavonol]-A(2OH, 1Geranyl)-B(none)	Dihydroflavonol	6-Geranylpinobanksin
0.000	[Dihydroflavonol]-A(2OH)-B(1OH, 1(5-Formyl-2-hydroxyphenyl))	Dihydroflavonol	3'-(5''-formyl-2''-hydroxyphenyl)aromadendrin
0.000	[Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavonol	3,6-Dimethoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2,3:7,8]flavone
0.000	[Flavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH)	Flavonol	8-p-Hydroxybenzylquercetin
0.000	[Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ferrugone
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ichthynone
0.000	[Isoflavone]-A(2OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	5-Methoxydurmillone
0.000	[Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Pterocarpan-6a-ol	2-Prenyl-6a-hydroxyphaseollidin
0.000	[Dehydrorotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe)	Dehydrorotenone	Dehydroamorphigenin
0.000	[Dehydrorotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	Dehydrorotenone	Villosol
0.000	[Dehydrorotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Dehydrorotenone	Dehydrotoxicarol
0.000	[6-Hydroxydehydrorotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	6-Hydroxydehydrorotenone	Amorpholone
0.000	[4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	4-Hydroxy-3-phenylcoumarin	Robustin methyl ether
0.000	[4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	4-Hydroxy-3-phenylcoumarin	Isorobustin 4-methyl ether
0.000	[4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy))	4-Hydroxy-3-phenylcoumarin	Glabrescin
0.000	[4-Hydroxy-3-phenylcoumarin]-A(2OMe, 1([2,3:@@]-(5-Isopropenylfurano)))-B(1OMe)	4-Hydroxy-3-phenylcoumarin	Thonningine B
0.000	[4-phenylcoumarin]-A(1OH, 1Isobutyroyl, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(none)	4-phenylcoumarin	1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one
0.000	[4-phenylcoumarin]-A(1OH, 1Butyroyl, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(none)	4-phenylcoumarin	1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(butyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one

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
	37.10	476.17622	23.0760	0.12	[M+C2H7N+H]+	(2 names) 5-(1,1-Dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide; Bispyribac	ALL 2 KG 1 HM 1	MS2 MS3 x 2			2
	37.10	469.07409	15.9739	1.05	[M+K]+	(2 names) 5-(1,1-Dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide; Bispyribac	ALL 2 KG 1 HM 1	MS2 MS3		0.273	2
1406	37.07	453.10022	0.0000	0.63	[M+Na]+	(2 names) 5-(1,1-Dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide; Bispyribac	ALL 2 KG 1 HM 1	MS2 MS3		0.273	2
	37.10	448.14474	-4.9555	0.77	[M+NH4]+	(2 names) 5-(1,1-Dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide; Bispyribac	ALL 2 KG 1 HM 1	MS2 MS3		0.077	2
	37.10	431.11809	-21.9821	1.30	[M+H]+	(2 names) 5-(1,1-Dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide; Bispyribac	ALL 2 KG 1 HM 1	MS2 MS3 x 2	0.111		2

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

関連ピーク情報