ピーク情報

ポプラ, 幼植物, 地上部

pos

Peak #5424 MN MID: SE205_S08_M90

m/z: 339.10763, RT: 52.15, 強度: 12092, ログ強度: 0.48, 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: (9 names) 1-Caffeoyl-4-deoxyquinic acid;7-(alpha-D-Glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one;Jiadifenin;Hydrojuglone glucoside;alpha-Hydrojuglone-4-glucoside;5-p-Coumaroylquinic acid;4-p-Coumaroylquinic...

DBごとのヒット数: ALL 8 KG 3 KN 3 HM 2

FlavonoidSearch最大スコア MS2: 0.091, MS3: 0.125

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
C16H18O8	338.10017	0.552	1-Caffeoyl-4-deoxyquinic acid	KEGG: C10432 KNApSAcK: C00002717
C16H18O8	338.10017	0.552	7-(alpha-D-Glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one	HMDB: HMDB0244795
C16H18O8	338.10017	0.552	Hydrojuglone glucoside	HMDB: HMDB0041191
C16H18O8	338.10017	0.552	Jiadifenin	KNApSAcK: C00045331
C16H18O8	338.10017	0.552	alpha-Hydrojuglone-4-glucoside	HMDB: HMDB0034242 KNApSAcK: C00029670
C16H18O8	338.10017	0.552	p-Coumaroyl quinic acid	HMDB: HMDB0029681, HMDB0301709 KEGG: C12208 KNApSAcK: C00029511, C00052747, C00055770
C16H18O8	338.10017	0.552	4-p-Coumaroylquinic acid	HMDB: HMDB0301710, HMDB0302093, HMDB0304656 KEGG: C10441 KNApSAcK: C00002730, C00032657, C00055769
C16H18O8	338.10017	0.552	4-Hydroxy-5-methylcoumarin 4-O-beta-D-glucopyranoside	KNApSAcK: C00044063

MSnスペクトル情報

Level: 2, プリカーサーm/z: 339.10727

Splash: splash10-004i-0902000000-fbffed6d1b000a4cb928

m/z	Int.	NL	Rel.Int.
177.00	62170	162	1000
321.14	14928	18	240

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.091	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	Citflavanone
0.091	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	Paratocarpin K
0.091	[2'-Hydroxychalcone]-A(3OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Mallotus A
0.071	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	2'-Hydroxychalcone	3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone
0.067	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	4-Hydroxyderricin
0.067	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Bavachalcone
0.067	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Isoxanthohumol(Helichrysum)
0.067	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone
0.063	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	5-Methoxy-7-hydroxy-8-C-prenylflavanone
0.063	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	Tephrinone
0.063	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	5-Hydroxy-7-methoxy-6-C-prenylflavanone
0.063	[Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	4'-Hydroxyisoderricin
0.063	[Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachinin
0.059	[Flavone]-A(2OH)-B(1OH, 1(C-Prenyl))	Flavone	Yinyanghuo D
0.059	[Flavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavone	5,7,4'-Trihydroxy-6-prenylflavone
0.059	[Flavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavone	Licoflavone C
0.059	[Chalcone]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl))	Chalcone	Licochalcone C
0.056	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Isoflavone	Wighteone
0.056	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH)	Isoflavone	Lupiwighteone
0.056	[Isoflavone]-A(2OH)-B(1OH, 1(C-Prenyl))	Isoflavone	Isowighteone
0.043	[Flavonol]-A(2OH, 1(C-Prenyl))-B(none)	Flavonol	3,5,7-Trihydroxy-8-prenylflavone
0.043	[Flavonol]-A(2OH, 1(C-Prenyl))-B(none)	Flavonol	3,5,7-Trihydroxy-6-prenylflavone
0.000	[Pterocarpan]-A(1OH)-B(1OMe, 1(C-Prenyl))	Pterocarpan	Sandwicensin
0.000	[Auronol (2-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Auronol	Castillene D
0.000	[Chalcone]-A(1OH)-B(1OH, 1OMe, 1(1,1-Dimethylallyl))	Chalcone	Licochalcone A
0.000	[Chalcone]-A(1OH, 1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Chalcone	5'-Hydroxy-2'-methoxy-3,4-methylenedioxyfurano[2'',3'':4',3']chalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1Oxo, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	beta-Hydroxy(or Oxodihydro)chalcone	Ovalitenone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	beta-Hydroxy(or Oxodihydro)chalcone	Glyinflanin B
0.000	[Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Dihydrochalcone	Crotaramin
0.000	[Flavanone]-A(1OMe, 1(2-Hydroxy-1,1-dimethylallyl))-B(none)	Flavanone	Falciformin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(none)	Flavanone	6-C-Prenyl-8-C-methylpinocembrin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(none)	Flavanone	5,7-Dihydroxy-6-methyl-8-prenylflavanone
0.000	[Flavanone]-A(2OH, 1(4-Oxoprenyl))-B(none)	Flavanone	5,7-Dihydroxy-8-C-(4-oxoprenyl)flavanone
0.000	[Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(none)	Flavonol	8-(1,1-Dimethylallyl)galangin
0.000	[Flavan 4-ol]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none)	Flavan 4-ol	Hildgardtol A
0.000	[Flavan 4-ol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavan 4-ol	Hildgardtol B
0.000	[Flavan]-A(2OMe, 1(C-Prenyl))-B(none)	Flavan	5,7-Dimethoxy-8-prenylflavan
0.000	[CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin]-A(1OH)-B(1OH)	CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin	5-Carboxypyranopelargonidin
0.000	[Isoflavone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Isoflavone	Psoralenol
0.000	[Isoflavone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH)	Isoflavone	6-(1,1-Dimethylallyl)genistein
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Isoflavone	Crotalarin
0.000	[Isoflavanone]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavanone	Neotenone
0.000	[Isoflavan]-A(1OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavan	2'-O-Methylphaseollinisoflavan
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Isoflavan	4'-O-Methylglabridin
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan	Ficinin
0.000	[Pterocarpan]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Pterocarpan	Apiocarpin
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Pterocarpan-6a-ol	Glyceollin III
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Pterocarpan-6a-ol	Glyceollin I
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Pterocarpan-6a-ol	Glyceollin II
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan-6a-ol	Tuberosin
0.000	[2-Phenylbenzofuran]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	2-Phenylbenzofuran	Neoraufurane

Level: 3, プリカーサーm/z: 177.00055

Splash: splash10-0006-0900000000-57e70de7a0d7b808ba3a

m/z	Int.	NL	Rel.Int.
144.88	34018	32	1000

Level: 3, プリカーサーm/z: 321.13791

Splash: splash10-004i-0900000000-4f95aad952dc38c824ff

m/z	Int.	NL	Rel.Int.
176.98	5734	144	1000
108.94	538	212	93
144.99	461	176	80
195.10	314	126	54

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.125	[Flavan 3-ol]-A(2OH)-B(2OH, 1OMe)	Flavan 3-ol	Gallocatechin 4'-methyl ether
0.100	[Dihydroflavonol]-A(2OH)-B(3OH)	Dihydroflavonol	3,5,7,3',4',5'-Hexahydroxyflavanone
0.063	[Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Erythrinin A
0.000	[Isoflavone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Corylin
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavone	5-Hydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavone
0.000	[Flavan 3-ol]-A(2OH, 1OMe)-B(2OH)	Flavan 3-ol	3,5,7,3',4'-Pentahydroxy-6-methoxyflavan
0.000	[Auronol]-A(2OH)-B(3OH)	Auronol	Amaronol A
0.000	[alpha-Hydroxychalcone]-A(4OH)-B(2OH)	alpha-Hydroxychalcone	3,4,2',3',4',6',alpha-Heptahydroxychalcone
0.000	[Dihydrochalcone beta-ol]-A(2OH)-B(2OH, 1OMe)	Dihydrochalcone beta-ol	Gliricidol
0.000	[3-substituted Flavanone (3-Methyl)]-A(2OH, 1Cl)-B(1OH)	3-substituted Flavanone	8-Chloro-5,7,4'-trihydroxy-3-C-methylflavanone
0.000	[Flavan 3,4-diol]-A(1OH, 1OMe)-B(2OH)	Flavan 3,4-diol	Mesquitol-4alpha-ol 8-methyl ether
0.000	[Flavan 3,4-diol]-A(2OH)-B(1OH, 1OMe)	Flavan 3,4-diol	Catechin-4-ol 3'-methyl ether
0.000	[Flav-3-ene]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none)	Flav-3-ene	Hildgardtene
0.000	[Pterocarpene]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpene	Anhydrotuberosin
0.000	[Coumestan]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Coumestan	Erosnin