ピーク情報

タバコBY-2細胞　3日目

pos

Peak #584 MN MID: SE204_S03_M90

m/z: 542.73145, RT: 11.00, 強度: 90235, ログ強度: 1.56, アダクト: [2M+K]+, 共有数（同様のピークを含むサンプル数）: 28

DB検索結果: gamma-Pentachlorocyclohexene

DBごとのヒット数: ALL 1 KG 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
C6H5Cl5	251.88339	2.997	gamma-Pentachlorocyclohexene	KEGG: C06596

Level: 2, プリカーサーm/z: 542.73163

Splash: splash10-0a4i-0000900000-aab6be07602fce4d1437

m/z	Int.	NL	Rel.Int.
458.51	80303	84	1000
290.78	6449	252	80
482.60	5786	60	72
374.80	5597	168	69

Level: 3, プリカーサーm/z: 458.51471

Splash: splash10-006x-0095000000-22fa8fc39cde9589a990

m/z	Int.	NL	Rel.Int.
290.67	14116	168	1000
374.69	8744	84	619
206.82	2034	252	144
398.76	1714	60	121

Level: 3, プリカーサーm/z: 290.78345

Splash: splash10-0a4i-0090000000-e53c13f614c414eea241

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydrochalcone]-A(3OH)-B(2OH)	Dihydrochalcone	3,4,2',4',6'-Pentahydroxydihydrochalcone
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	Mesquitol
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	3,5,7,3',5'-Pentahydroxyflavan
[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	Catechin
[Flavan 3-ol]-A(1OH)-B(3OH)	Flavan 3-ol	Robinetinidol
[Dihydrochalcone alpha-ol]-A(3OH)-B(1OH)	Dihydrochalcone alpha-ol	Nubigenol
[Dihydrochalcone alpha-ol]-A(2OH)-B(2OH)	Dihydrochalcone alpha-ol	3,4,2',4',alpha-Pentahydroxydihydrochalcone
[Flavan 4-ol]-A(2OH)-B(2OH)	Flavan 4-ol	Luteoforol
[Flavan 3,4-diol]-A(1OH)-B(2OH)	Flavan 3,4-diol	3,4,7,3',4'-Pentahydroxyflavan
[Flavan 3,4-diol]-A(2OH)-B(1OH)	Flavan 3,4-diol	3,4,7,8,4'-Pentahydroxyflavan
[Flavan 3,4-diol]-A(2OH)-B(1OH)	Flavan 3,4-diol	3,4,5,7,4'-Pentahydroxyflavan