ピーク情報

タバコBY-2細胞　3日目

pos

Peak #1505 MN MID: SE204_S03_M90

m/z: 476.17599, RT: 37.13, 強度: 7145, ログ強度: 0.46, アダクト: [M+C2H7N+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: -, MS3: 0.125

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	-0.547	5-(1,1-Dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide	HMDB: HMDB0259494
C19H18O8N4	430.11246	-3.707	Bispyribac	KEGG: C10915, [f]C18453

Level: 2, プリカーサーm/z: 476.17618

Splash: splash10-001i-0900500000-5860307435d3ecc0935b

m/z	Int.	NL	Rel.Int.
182.91	3888	293	1000
430.81	2338	45	601
165.00	198	311	50

Level: 3, プリカーサーm/z: 182.91876

Splash: splash10-03di-0900000000-1d6bbe24340767258b04

m/z	Int.	NL	Rel.Int.
164.89	1723	18	1000
132.88	771	50	447
124.86	741	58	429
136.97	127	46	73

Level: 3, プリカーサーm/z: 430.74896

Splash: splash10-001i-0900000000-5b497ae38650913bea2c

m/z	Int.	NL	Rel.Int.
182.92	62	248	1000
132.97	15	298	246
412.99	4	18	66

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.125	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(none)	Flavone	Kaplanin
0.125	[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)

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
1505	37.13	476.17599	0.0000	0.46	[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		0.125	2
	37.11	469.07398	-7.1020	0.58	[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		0.250	2
	37.12	462.16044	-14.0156	0.24	[M+CH5N+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		0.143	2
	37.14	453.10011	-23.0759	0.44	[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 x 2		0.273	2
	37.12	448.14463	-28.0314	0.98	[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			2
	37.12	431.11811	-45.0579	1.17	[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