ピーク情報

めキャベツ結球葉生

pos

Peak #6027 MN MID: SE114_S062831_M90

m/z: 487.14450, RT: 44.18, 強度: 22642, ログ強度: 0.99, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: (6 names) Plumiepoxide;Hymexelsin;Xeroboside;7-O-[beta-D-Apiofuranosyl-(1->6)-beta-D-glucopyranosyl]-6-methoxycoumarin;7-O-beta-Apiofuranosyl-(1->6)-beta-glucopyranosylscopoletin;Aesculetin 7-rutinoside

DBごとのヒット数: ALL 3 KN 3

FlavonoidSearch最大スコア MS2: 0.167, MS3: 0.118

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
C21H26O13	486.13734	-0.240	Plumiepoxide	KNApSAcK: C00010740
C21H26O13	486.13734	-0.240	Hymexelsin	KNApSAcK: C00019793
C21H26O13	486.13734	-0.240	Aesculetin 7-rutinoside	KNApSAcK: C00054086

MSnスペクトル情報

Level: 2, プリカーサーm/z: 487.14432

Splash: splash10-004i-0209000000-ad748713b103edce9e38

m/z	Int.	NL	Rel.Int.
325.05	3788	162	1000
163.05	1086	324	286
307.08	570	180	150

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.167	[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-2(OMe)-Galloyl))	Flavan 3-ol	Gallocatechin 3-O-(3,5-di-O-methylgallate)
0.000	[2'-Hydroxychalcone]-A(2OH, 1(1(O-Coumaroyl)-(E)-4-hydroxyprenyl))-B(1OH)	2'-Hydroxychalcone	Isogemichalcone B
0.000	[2'-Hydroxychalcone]-A(2OH, 1(1(O-Coumaroyl)-(Z)-4-hydroxyprenyl))-B(1OH)	2'-Hydroxychalcone	Gemichalcone B
0.000	[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Artelastochromene

Level: 3, プリカーサーm/z: 325.04929

Splash: splash10-03di-0903000000-3d2ce2ef66800a18fb5e

m/z	Int.	NL	Rel.Int.
163.02	1159	162	1000
307.10	487	18	420

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.118	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.067	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.067	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
0.067	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
0.067	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Desmethylisoxanthohumol
0.056	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Isobavachin
0.056	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachin
0.056	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
0.056	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Isobavachalcone
0.056	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Broussochalcone B
0.000	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan	2-Prenyldemethylmedicarpin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	8-Prenyldemethylmedicarpin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	Phaseollidin
0.000	[Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Chalcone	Crotmadine
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Flemistrictin E
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Flemistrictin B
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Flemistrictin F
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Flemistrictin C
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Dorsmanin A
0.000	[Dihydrochalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(none)	Dihydrochalcone	1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone
0.000	[Flavanone]-A(1OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavanone	7-Hydroxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone
0.000	[Flavanone]-A(2OMe, 1([2,3:@@]-Furano))-B(none)	Flavanone	5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone
0.000	[Isoflavanone]-A(1([2,3:@@]-Furano))-B(2OMe)	Isoflavanone	Neoraunone
0.000	[Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))	Isoflavan	Crotmarine
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavan	Glabridin
0.000	[Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavan	Phaseollinisoflavan
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(2OMe)	Pterocarpan	Ambonane
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Neobanol

Level: 3, プリカーサーm/z: 163.04942

Splash: splash10-0006-0900000000-3d2c876908e6d9f981bb