ピーク情報

はつか大根　葉

pos

Peak #6598 MN MID: SE202_S21_M90

m/z: 341.08673, RT: 47.16, 強度: 82084, ログ強度: 1.46, 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: (13 names) Aesculin;Cichoriin;Sinapoyl-(S)-malate;Sinapoyl malate;Sinapoyl-(S)-malate;O-Coumaric acid glucuronide;Daphnetin glucoside;Vittarilide A;(+)-Vittarilide A;6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-t...

DBごとのヒット数: ALL 11 KG 4 KN 3 HM 4

FlavonoidSearch最大スコア MS2: 0.115, 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
C15H16O9	340.07943	0.062	Aesculin	HMDB: HMDB0030820 KEGG: C09264 KNApSAcK: C00002472
C15H16O9	340.07943	0.062	Cichoriin	HMDB: HMDB0030821 KEGG: C09206 KNApSAcK: C00002458
C15H16O9	340.07943	0.062	Sinapoyl-(S)-malate	HMDB: [-2]HMDB0304485 KNApSAcK: C00007349
C15H16O9	340.07943	0.062	Sinapoyl malate	KEGG: C02887
C15H16O9	340.07943	0.062	O-Coumaric acid glucuronide	HMDB: HMDB0240548
C15H16O9	340.07943	0.062	Daphnetin glucoside	HMDB: HMDB0303778
C15H16O9	340.07943	0.062	Vittarilide A	KNApSAcK: C00043107
C15H16O9	340.07943	0.062	6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	HMDB: HMDB0127983
C15H16O9	340.07943	0.062	Daphnin	KEGG: C01421 KNApSAcK: C00037003
C15H16O9	340.07943	0.062	p-Coumaric acid glucuronide	HMDB: HMDB0240550
C15H16O9	340.07943	0.062	Eucryphin	KNApSAcK: C00041517

MSnスペクトル情報

Level: 2, プリカーサーm/z: 341.08661

Splash: splash10-056r-0892000000-eff4afc41aae59ba61ff

m/z	Int.	NL	Rel.Int.
175.95	1131	165	1000
206.00	943	135	834
207.08	562	134	496
177.06	300	164	265
323.21	282	18	249
129.99	214	211	188
297.22	173	44	152
212.98	131	128	115
313.21	122	28	108
188.06	117	153	103
322.17	103	19	90
231.04	97	110	85
309.27	82	32	72
224.07	68	117	60
189.08	64	152	56

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.115	[Isoflavanone]-A(1OH, 1(C-Prenyl))-B(2OH)	Isoflavanone	7,2',4'-Trihydroxy-8-prenylisoflavanone
0.103	[2'-Hydroxychalcone]-A(2OH)-B(2OH, 1(C-Prenyl))	2'-Hydroxychalcone	Broussochalcone A
0.103	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(2OH)	2'-Hydroxychalcone	Morachalcone A
0.074	[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH)	Isoflavanone	Dihydrowighteone
0.074	[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl))	Flavanone	Licoflavanone
0.067	[Flavanone]-A(1OH, 1(C-Prenyl))-B(2OH)	Flavanone	Euchrenone a7
0.038	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none)	Dihydroflavonol	8-Prenylpinobanksin
0.038	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none)	Dihydroflavonol	6-Prenylpinobanksin
0.036	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavanone	Kushenol S
0.036	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavanone	6-Prenylnaringenin
0.036	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavanone	Sophoraflavanone B
0.000	[2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	2'-Hydroxychalcone	Psorachalcone A
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	2'-Hydroxychalcone	Bakuchalcone
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Bavachromanol
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	2'-Hydroxychalcone	5-Prenyl-6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxychalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Helikrausichalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	beta-Hydroxy(or Oxodihydro)chalcone	5'-Prenyllicodione
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	beta-Hydroxy(or Oxodihydro)chalcone	Kanzonol A
0.000	[Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Dihydrochalcone	Crotin (chalcone)
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	Dihydrochalcone	2',6'-Dihydroxy-4'-methoxy-3'-prenyldihydrochalcone
0.000	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	Flavanone	Brosimacutin D
0.000	[Flavanone]-A(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Flavanone	Brosimacutin E
0.000	[Flavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(none)	Flavanone	5,7-Dihydroxy-8-C-(4-hydroxy-3-methyl-2-butenyl)flavanone
0.000	[Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH)	Flavanone	5,7,4'-Trihydroxy-6-(1,1-dimethylallyl)flavanone
0.000	[Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH)	Flavanone	Ugonin E
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH)	Flavanone	5,4'-Dihydroxy-4'',4''-Dimethyl-5''-[2'',3'':7,6]methyldihydrofuranoflavanone
0.000	[Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	Flavone	7-Methoxy-5,6:3',4'-bis(methylenedioxy)flavone
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	CCS-type derivative / [3,2']-Epoxymethanoflavone	Pulcherrimin
0.000	[Isoflavan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavan	2'-O-Methylphaseollidinisoflavan
0.000	[Isoflavan]-A(1OH, 1(1,1-Dimethylallyl))-B(1OH, 1OMe)	Isoflavan	Millinol B
0.000	[Isoflavan]-A(1OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavan	4'-O-Methylpreglabridin
0.000	[isoflavan-4-ol]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	isoflavan-4-ol	Ambanol
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	Pterocarpan	10-(2-Hydroxy-3-methyl-3-butenyl)demethylmedicarpin
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan-6a-ol	Sandwicarpin
0.000	[Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan-6a-ol	Glyceocarpin
0.000	[Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan-6a-ol	Glyceollidin I
0.000	[2-Phenylbenzofuran]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH)	2-Phenylbenzofuran	Licocoumarone

Level: 3, プリカーサーm/z: 175.98022

Splash: splash10-004i-0900000000-800acb584326dbce122c

m/z	Int.	NL	Rel.Int.
129.94	217	46	1000
157.86	26	18	118
148.00	15	28	67

Level: 3, プリカーサーm/z: 206.00642

Splash: splash10-004i-0900000000-d47d92aab30be69122b3

m/z	Int.	NL	Rel.Int.
175.93	125	30	1000
188.04	20	18	156