ピーク情報

タバコBY-2細胞　3日目

pos

Peak #1395 MN MID: SE204_S03_M90

m/z: 527.28597, RT: 31.57, 強度: 33536, ログ強度: 1.13, 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	-0.834	Chlamydocin	KNApSAcK: C00034934
C28H38O6N4	526.27913	-0.834	Iganidipine	HMDB: HMDB0253387
C28H38O6N4	526.27913	-0.834	Val-Phe-Val-Tyr	HMDB: HMDB0304812

Level: 2, プリカーサーm/z: 527.28571

Splash: splash10-0006-0090020000-5e529a0f996392fc23d9

m/z	Int.	NL	Rel.Int.
291.18	11104	236	1000
292.21	5762	235	518
510.25	3747	17	337
220.04	3115	307	280
509.30	2476	18	223
221.11	1095	306	98

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: 291.14929

Splash: splash10-00di-0090000000-fe8408c2856dd7e31cd5

m/z	Int.	NL	Rel.Int.
220.08	4473	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: 292.20740

Splash: splash10-00di-0090000000-3f7587524e4eaea13c49

m/z	Int.	NL	Rel.Int.
221.02	3229	71	1000
220.02	1316	72	407