ピーク情報

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Peak #341 MN MID: SE199_S31_M90

m/z: 526.75763, RT: 11.14, 強度: 28184, ログ強度: 0.90, アダクト: [2M+Na]+, 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: 0.143

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	3.230	gamma-Pentachlorocyclohexene	KEGG: C06596

Level: 2, プリカーサーm/z: 526.75763

Splash: splash10-0006-0000900000-85f8da0bd83f9d26cd42

m/z	Int.	NL	Rel.Int.
442.68	11227	84	1000
290.86	1338	236	119
358.68	1192	168	106
442.07	830	85	73

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1([3,2:@@]-(5-oxo-11-Hydroxy-11-styryl-4,10-dioxa-bicyclo[7.3.1]-2-trideceno)))-B(none)	2'-Hydroxychalcone	Kurzichalcolactone
[Flavanone]-A(1OH, 1([3,2:@@]-(5-oxo-11-Hydroxy-11-styryl-4,10-dioxa-bicyclo[7.3.1]-2-trideceno)))-B(none)	Flavanone	Kurziflavolactone A
[Flavanone]-A(1OH, 1([3,2:@@]-(5-oxo-11-Hydroxy-11-styryl-4,10-dioxa-bicyclo[7.3.1]-2-trideceno)))-B(none)	Flavanone	Kurziflavolactone C
[Flavan 3-ol]-A(2OH, 1(2,4,6-Trihydroxy-3-isobutyryl-5-methylbenzyl))-B(2OH)	Flavan 3-ol	Pilosanol B
[Flavan 3-ol]-A(2OH, 1(3-Butyryl-2,4,6-trihydroxy-5-methylbenzyl))-B(2OH)	Flavan 3-ol	Pilosanol C

Level: 3, プリカーサーm/z: 442.74353

Splash: splash10-052f-0093000000-8ca63a9ec8c47f49de5a

m/z	Int.	NL	Rel.Int.
290.75	1994	152	1000
358.73	1065	84	534
274.73	285	168	142
206.93	222	236	111

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.143	[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-Galloyl))	Flavan 3-ol	Catechin 3-O-gallate
0.143	[Flavan 3-ol]-A(1OH)-B(3OH)-C(1(O-Galloyl))	Flavan 3-ol	Robinetinidol 3-O-gallate
0.074	[Isoflavone]-A(2OH, 1OMe, 1(C-Prenyl))-B(3OMe)	Isoflavone	6-Prenylisocaviunin
0.000	[Flavanone]-A(2OH, 1(5-methyl-2-(2-hydroxyisopropyl)-4-hexenyl))-B(2OH)	Flavanone	Exiguaflavanone M
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH)	Flavanone	Lonchocarpol B
0.000	[Flavanone]-A(2OH)-B(2OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl))	Flavanone	Propolin A
0.000	[Flavanone]-A(2OH)-B(2OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl))	Flavanone	Propolin B
0.000	[Flavanone]-A(2OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl))-B(2OH)	Flavanone	Prokinawan
0.000	[6,12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	6,12a-Hydroxyrotenone	Villol

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
	11.13	542.73166	15.9740	1.26	[2M+K]+	gamma-Pentachlorocyclohexene	ALL 1 KG 1	MS2 MS3 x 2			28
341	11.14	526.75763	0.0000	0.90	[2M+Na]+	gamma-Pentachlorocyclohexene	ALL 1 KG 1	MS2 MS3		0.143	28