ピーク情報

タバコBY-2細胞　7日目

pos

Peak #1259 MN MID: SE204_S07_M90

m/z: 527.28618, RT: 31.56, 強度: 2931, ログ強度: 0.04, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (3 names) Chlamydocin;Iganidipine;Val-Phe-Val-Tyr

DBごとのヒット数: ALL 3 KN 1 HM 2

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
C28H38O6N4	526.27913	-0.439	Chlamydocin	KNApSAcK: C00034934
C28H38O6N4	526.27913	-0.439	Iganidipine	HMDB: HMDB0253387
C28H38O6N4	526.27913	-0.439	Val-Phe-Val-Tyr	HMDB: HMDB0304812

Level: 2, プリカーサーm/z: 527.28607

Splash: splash10-0006-0090020000-31b05a535c8e7d70b713

m/z	Int.	NL	Rel.Int.
291.10	8643	236	1000
509.23	3062	18	354
220.01	2106	307	243

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
[Dihydroflavonol]-A(2OH, 1(3-Hydroxy-3-methylbutyl), 1Lavandulyl)-B(2OH)	Dihydroflavonol	Kosamol A
[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: 291.11264

Splash: splash10-00di-0090000000-2d84669316dfe41e91f9

m/z	Int.	NL	Rel.Int.
220.08	3592	71	1000

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

Level: 3, プリカーサーm/z: 509.25580

Splash: splash10-014l-0090000000-ace7096795b9b54bacc3

m/z	Int.	NL	Rel.Int.
219.02	394	290	1000
291.20	380	218	965
220.01	123	289	312

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 2(C-Prenyl))	Dihydroflavonol	Petalostemumol
[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(2OH, 1Geranyl)	Flavanone	Tanariflavanone A
[Flavanone]-A(2OH, 1(C-Prenyl), 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone J
[Flavanone]-A(2OH, 1(C-Prenyl), 1Geranyl)-B(3OH)	Flavanone	Tomentosanol E
[Dihydroflavonol]-A(2OH, 1(C-Prenyl), 1Lavandulyl)-B(2OH)	Dihydroflavonol	Kushenol M
[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1Geranyl)	Dihydroflavonol	Sanggenol K
[Dihydroflavonol]-A(2OH)-B(2OH, 1(C-Prenyl), 1Geranyl)	Dihydroflavonol	Sanggenol D