ピーク情報

タバコBY-2細胞　7日目

pos

Peak #1421 MN MID: SE204_S07_M90

m/z: 431.11809, RT: 37.10, 強度: 53444, ログ強度: 1.30, アダクト: [M+H]+, 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: 0.111, 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
C20H19O4N4SF	430.11110	-0.681	5-(1,1-Dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide	HMDB: HMDB0259494
C19H18O8N4	430.11246	-3.841	Bispyribac	KEGG: C10915, [f]C18453

Level: 2, プリカーサーm/z: 431.11758

Splash: splash10-001i-0900100000-e2d03536295c654bc3e5

m/z	Int.	NL	Rel.Int.
182.95	4916	248	1000
412.79	699	18	142
132.96	577	298	117
164.92	338	266	68

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.111	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(none)	Flavone	Kaplanin
0.111	[Isoflavone]-A(1OH, 1(C-Glu))-B(1OMe)	Isoflavone	Puerarin 4'-methyl ether
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe)	Flavone	Isomollupentin 7,4'-dimethyl ether
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe)	Flavone	7,4'-Di-O-Methylisomollupentin
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OH)	Flavone	8-C-Rhamnosylgenkwanin
0.000	[Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(2OH)	Flavone	Derhamnosylmaysin
0.000	[Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(2OH)	Flavone	6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)luteolin
0.000	[Flavone]-A(2OH, 1(2,6-Dideoxy-beta-L-xylo-hexopyranosyl))-B(1OH, 1OMe)	Flavone	Alternanthin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(3-hydroxy-3-methylbutyl))	Flavonol	Aliarin 4'-methyl ether
0.000	[Flavonol]-A(1OH, 2OMe)-B(1OMe, 1(4-hydroxy-3-methylbutyl))	Flavonol	3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one
0.000	[Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
0.000	[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-<1,6-Dihydroxy-2-cyclohexene-1-carbonyl>))	Flavan 3-ol	Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate)

Level: 3, プリカーサーm/z: 182.94858

Splash: splash10-03di-0900000000-cd2cbe92e49beacbf906

m/z	Int.	NL	Rel.Int.
164.99	2326	18	1000
132.86	1009	50	434
124.98	933	58	401
136.96	173	46	74

Level: 3, プリカーサーm/z: 412.78522

Splash: splash10-001i-0931000000-2b2c290824c749f68905

m/z	Int.	NL	Rel.Int.
183.04	50	230	1000
395.01	14	18	281
287.32	8	125	166
207.11	8	206	163
231.04	8	182	155
132.95	8	280	153
137.10	5	276	96
233.01	4	180	87
124.90	4	288	73
188.80	4	224	71
159.04	3	254	56
290.89	3	122	50

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavonol (3-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	5,4'-Dihydroxy-3,7,3'-trimethoxy-8-prenylflavone
[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(C-Prenyl))	Flavonol	Viscosol
[4-substituted Flavan 3-ol (4-(2,3,4-Trihydroxyphenyl))]-A(1OH)-B(2OH)	4-substituted Flavan 3-ol	4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol
[Rotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(2OMe)	Rotenone	Dihydroamorphigenin
[Rotenone]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OMe)	Rotenone	Dalpanol
[12a-Hydroxyrotenone]-A(1OH, 1(C-Prenyl))-B(2OMe)	12a-Hydroxyrotenone	12a-Hydroxyrot-2'-enonic acid

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	45.0581	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	37.9560	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
	37.07	453.10022	21.9821	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	17.0267	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
1421	37.10	431.11809	0.0000	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