ピーク情報

（かんきつ類）ゆず果皮生

pos

Peak #3557 MN MID: SE123_S071421_M90

m/z: 337.09179, RT: 41.16, 強度: 38578, ログ強度: 1.01, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 21

DB検索結果: (13 names) Altersolanol A;Juglone glucoside;3-Caffeoyl-1,5-quinolactone;4-O-Caffeoylshikimic acid;Flagranone C;Dattelic acid;3-O-Caffeoylshikimic acid;4-Caffeoyl-1,5-quinolactone;Flustramine I;(-)-Flustramine I;...

DBごとのヒット数: ALL 12 KG 3 KN 5 HM 4

FlavonoidSearch最大スコア MS2: 0.045, 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
C16H16O8	336.08452	-0.023	Juglone glucoside	HMDB: HMDB0033563
C16H16O8	336.08452	-0.023	3-Caffeoyl-1,5-quinolactone	HMDB: HMDB0029287
C16H16O8	336.08452	-0.023	Altersolanol A	KEGG: C10296 KNApSAcK: C00002791
C16H16O8	336.08452	-0.023	4-O-Caffeoylshikimic acid	HMDB: HMDB0033997
C16H16O8	336.08452	-0.023	Flagranone C	KNApSAcK: C00015445
C16H16O8	336.08452	-0.023	5-O-Caffeoylshikimic acid	HMDB: HMDB0030654, HMDB0033999, [-1]HMDB0304282 KEGG: C10434 KNApSAcK: C00002720
C16H16O8	336.08452	-0.023	3-O-Caffeoylshikimic acid	KNApSAcK: C00054901
C16H16O8	336.08452	-0.023	4-Caffeoyl-1,5-quinolactone	HMDB: HMDB0029288
C16H21ON2Br	336.08372	2.337	Flustraminol A	KNApSAcK: C00045950
C16H21ON2Br	336.08372	2.337	Flustramine I	KNApSAcK: C00047884
C15H26OBrCl	336.08555	-3.109	[1R-(1alpha,4alpha,4aalpha,7beta,8abeta)]-4-Bromo-7-chlorodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-naphthalenol	KNApSAcK: C00012691
C15H26OBrCl	336.08555	-3.109	Heterocladol	KEGG: C17193 KNApSAcK: C00012685

MSnスペクトル情報

Level: 2, プリカーサーm/z: 337.09128

Splash: splash10-03di-0900000000-224cffbd539a89a68dd2

m/z	Int.	NL	Rel.Int.
162.94	139136	174	1000

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.045	[Isoflavone]-A(1OH)-B(1OMe, 1(C-Prenyl))	Isoflavone	4'-O-Methylneobavaisoflavone
0.000	[Isoflavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Isoderrone
0.000	[Isoflavone]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Glabrone
0.000	[Isoflavone]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Puerarone
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Alpinumisoflavone
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Derrone
0.000	[Flavone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Yinyanghuo C
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavone	Atalantoflavone
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavone	Carpachromene
0.000	[Coumestan]-A(1OH, 1(C-Prenyl))-B(1OH)	Coumestan	Psoralidin
0.000	[Coumestan]-A(1OH)-B(1OH, 1(C-Prenyl))	Coumestan	Isosojagol
0.000	[Coumestan]-A(1OH, 1(C-Prenyl))-B(1OH)	Coumestan	Phaseol
0.000	[Chalcone]-A(1OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Chalcone	Licoagrochalcone B
0.000	[Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Ovalichromene
0.000	[Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Obovatin methyl ether
0.000	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavanone	Dorspoinsettifolin
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Oaxacacin
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Pongachalcone I
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Cedreprenone
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	2'-Hydroxychalcone	4-Methoxylonchocarpin
0.000	[Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Pterocarpan	Hemileiocarpin
0.000	[2-(alpha-oxobenzyl)benzofuran (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	2-(alpha-oxobenzyl)benzofuran	Derriobtusone B
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none)	2'-Hydroxychalcone	Crassichalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']chalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	6'-Demethoxypraecansone B
0.000	[Flavanone]-A(1OH, 1OMe, 1(3-Methylbutadienyl))-B(none)	Flavanone	Tephroleocarpin B
0.000	[Flavanone]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none)	Flavanone	Emoroidenone
0.000	[Flavone]-A(1OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavone	Lanceolatin A(flavonoid)
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavone	Ciliatin A
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Flavonol	Pongapin
0.000	[Flav-3-ene]-A(2OMe, 1(C-Prenyl))-B(none)	Flav-3-ene	Tephrowatsin B
0.000	[Isoflavone]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Dehydroneotenone
0.000	[Isoflavone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Isoflavone	Garhwalin
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OH)	Pterocarpan-6a-ol	Clandestacarpin
0.000	[Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	Coumestan	Sojagol
0.000	[Coumestan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Coumestan	Isopsoralidin
0.000	[Rotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Rotenone	Dolineone
0.000	[3-Phenylcoumarin]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	3-Phenylcoumarin	Pachyrrhizin

Level: 3, プリカーサーm/z: 162.94205

Splash: splash10-0006-0900000000-3c52494ac2c773541728

m/z	Int.	NL	Rel.Int.
144.90	49035	18	1000
135.04	5490	28	111