ピーク情報

らっかせい乾大粒種

pos

Peak #1366 MN MID: SE169_S050341_M90

m/z: 453.13884, RT: 33.86, 強度: 5608, ログ強度: 0.37, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 23

DB検索結果: (20 names) Catechin 5-glucoside;Curculigoside B;6-C-Glucopyranosylcatechin;3,4,5-trihydroxy-6-({2-[3-(7-methoxy-2-oxo-2H-chromen-6-yl)oxiran-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid;Coatline B;3-Hydroxyphlor...

DBごとのヒット数: ALL 18 KN 14 HM 4

FlavonoidSearch最大スコア MS2: 0.100, MS3: 0.833

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
C21H24O11	452.13186	-0.649	Catechin-5-O-beta-D-glucopyranoside	FlavonoidViewer: FL63ACGS0010, FL63ACGS0011 HMDB: HMDB0037948 KNApSAcK: C00008846, C00008847 LipidMAPS: LMPK12020055, LMPK12020056
C21H24O11	452.13186	-0.649	Curculigoside B	KNApSAcK: C00031703
C21H24O11	452.13186	-0.649	6-C-Glucopyranosylcatechin	FlavonoidViewer: FL63ACCS0001, FL63ACCS0003 HMDB: HMDB0037399, HMDB0037400 KNApSAcK: C00006356, C00006358 LipidMAPS: LMPK12020039, LMPK12020041
C21H24O11	452.13186	-0.649	3,4,5-trihydroxy-6-({2-[3-(7-methoxy-2-oxo-2H-chromen-6-yl)oxiran-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid	HMDB: HMDB0130523
C21H24O11	452.13186	-0.649	Coatline B	FlavonoidViewer: FL1DHXCS0002 KNApSAcK: C00006116 LipidMAPS: LMPK12120567
C21H24O11	452.13186	-0.649	3-Hydroxyphloretin 2'-O-glucoside	HMDB: HMDB0301672
C21H24O11	452.13186	-0.649	8-C-Glucopyranosylcatechin	FlavonoidViewer: FL63ACCS0002, FL63ACCS0004, FL63ACCS0005 HMDB: HMDB0037401, HMDB0037402, HMDB0039823 KNApSAcK: C00006357, C00006359, C00013256 LipidMAPS: LMPK12020040, LMPK12020042, LMPK12020043
C21H24O11	452.13186	-0.649	Catechin-4-ol 3-O-alpha-L-rhamnopyranoside	FlavonoidViewer: FL6DACGS0003 KNApSAcK: C00009018 LipidMAPS: LMPK12020201
C21H24O11	452.13186	-0.649	Sieboldin	FlavonoidViewer: FL1DACGS0001 KNApSAcK: C00007993 LipidMAPS: LMPK12120530
C21H24O11	452.13186	-0.649	6'-O-Galloylsalidroside	KNApSAcK: C00033581
C21H24O11	452.13186	-0.649	Leucopelargonidin 3-O-glucoside	FlavonoidViewer: FL6DAAGS0001 KNApSAcK: C00009015 LipidMAPS: LMPK12020198
C21H24O11	452.13186	-0.649	Catechin 7-O-beta-D-glucopyranoside	FlavonoidViewer: FL63ACGS0016, FL63ACGS0017 HMDB: HMDB0037949 KNApSAcK: C00008852, C00008853 LipidMAPS: LMPK12020060, LMPK12020061
C21H24O11	452.13186	-0.649	Aspalathin	FlavonoidViewer: FL1DACCS0001 HMDB: HMDB0030851 KNApSAcK: C00006096 LipidMAPS: LMPK12120529
C21H24O11	452.13186	-0.649	Catechin 3'-O-beta-D-glucopyranoside	FlavonoidViewer: FL63ACGS0019 HMDB: HMDB0029164, HMDB0037946 KNApSAcK: C00008855 LipidMAPS: LMPK12020063
C21H24O11	452.13186	-0.649	Precarthamin	HMDB: HMDB0031967
C21H24O11	452.13186	-0.649	Catechin 4'-O-beta-D-glucopyranoside	FlavonoidViewer: FL63ACGS0020 KNApSAcK: C00008856 LipidMAPS: LMPK12020064
C21H24O11	452.13186	-0.649	Catechin 3-O-beta-D-glucopyranoside	FlavonoidViewer: FL63ACGS0002, FL63ACGS0005, FL63ACGS0006 HMDB: HMDB0037943 KNApSAcK: C00008838, C00008841, C00008842, C00033501 LipidMAPS: LMPK12020047, LMPK12020050, LMPK12020051
C21H24O11	452.13186	-0.649	7-Hydroxybutylidenephthalide 7-(6-malonylglucoside)	HMDB: HMDB0034753

MSnスペクトル情報

Level: 2, プリカーサーm/z: 453.13791

Splash: splash10-000f-0091500000-c1ac39053bed87c87cba

m/z	Int.	NL	Rel.Int.
291.07	1720	162	1000
435.18	1113	18	647
273.13	395	180	229
301.07	229	152	133
417.10	161	36	93
386.64	95	66	54
383.52	87	70	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.100	[Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(1OH, 1OMe)	Flavanone	Amoradinin
0.083	[Flavonol]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe)	Flavonol	Dorsmanin D
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4-hydroxy-5-methoxypyrano)))-B(1OH)	2'-Hydroxychalcone	Derrichalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe)	2'-Hydroxychalcone	Kushenol D
0.000	[Dihydrochalcone]-A(2OH, 1(2-Hydroxybenzyl), 1([2,3:@@]-(4-hydrochromeno)))-B(none)	Dihydrochalcone	Chamuvaritin
0.000	[Dihydrochalcone]-A(3OH, 1(C-Glu))-B(2OH)	Dihydrochalcone	Aspalathin
0.000	[Dihydrochalcone alpha-ol]-A(2OH, 1(C-Glu))-B(2OH)	Dihydrochalcone alpha-ol	Coatline B
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methoxy-4,4-dimethyl-2-oxetanylmethyl))-B(1OH)	Flavanone	Derriflavanone
0.000	[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(1OH, 1OMe)	Flavanone	2'-Methoxykurarinone
0.000	[Flavanone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(2OH)	Flavanone	3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2'''-(1-hydroxy-1-methylethyl)-furano-(4'',5'':6,5)favanone
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydro-4,5-diacetoxypyrano)))-B(none)	Flavone	9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano)))	Flavone	Epimedokoreanin A
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl))	3-substituted Flavone	Heteroartonin A
0.000	[CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone	Artonin S
0.000	[Flavonol (3-OMe)]-A(2OH, 2(C-Prenyl))-B(2OH)	Flavonol	Broussoflavonol B
0.000	[Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH)	Flavan 3-ol	6-C-Glucopyranosylcatechin
0.000	[Flavan 3-ol]-A(2OH, 1(C-Glu))-B(2OH)	Flavan 3-ol	8-C-Glucopyranosylcatechin
0.000	[Flavan 3-ol]-A(2OH, 1(C-Galactosyl))-B(2OH)	Flavan 3-ol	Catechin 8-C-beta-D-galactoside
0.000	[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH)	Flavan 3-ol	Cinchonain Ib
0.000	[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(3,4-Dihydroxyphenyl)-6-oxodihydropyrano)))-B(2OH)	Flavan 3-ol	Cinchonain Ic
0.000	[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Coumaroyl))	Flavan 3-ol	Gallocatechin 3-O-p-coumarate

Level: 3, プリカーサーm/z: 435.17679

Splash: splash10-00di-0090000000-f32db40b766732674251

m/z	Int.	NL	Rel.Int.
273.07	589	162	1000

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH, 3OMe)-B(1OH, 3OMe)	Flavone	Agehoustin D
[Flavanone]-A(3OMe)-B(4OMe)	Flavanone	5,6,7,2',3',4',5'-Heptamethoxyflavanone
[Flavanone]-A(4OMe)-B(3OMe)	Flavanone	5,6,7,8,3',4',5'-Heptamethoxyflavanone
[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(4OMe)	2'-Hydroxychalcone	6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone
[beta-Hydroxy(or Oxodihydro)chalcone]-A(3OMe)-B(4OMe)	beta-Hydroxy(or Oxodihydro)chalcone	beta-Hydroxy-2,3,4,5,2',4',5'-heptamethoxychalcone
[Flavanone]-A(1OH, 1(C-Galactosyl))-B(2OH)	Flavanone	Palodulcin B
[Flavanone]-A(2OH, 1(C-Glu))-B(1OH)	Flavanone	Hemiphloin
[Flavanone]-A(2OH, 1(C-Glu))-B(1OH)	Flavanone	Isohemiphloin
[Flavone]-A(2OH)-B(1([2,3:@@]-(5-Hydroxymethyl-6-(p-hydroxyphenyl)-dihydro[1,4]dioxinyl)))	Flavone	Sinaticin
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(3-Methyl-1-butenyl))-B(1OMe)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cycloartocarpin A
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cycloartocarpin
[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH)	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artobiloxanthone
[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Cycloartobiloxanthone
[Flavonol (3-OMe)]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavonol	Macaflavone II
[Flavonol (3-OMe)]-A(2OH, 1(1-(p-Hydroxyphenyl)ethyl))-B(1OMe)	Flavonol	Haplopappin
[Flavonol]-A(1OH, 1OMe, 1(1-(p-Hydroxyphenyl)ethyl))-B(1OMe)	Flavonol	Haplopappin A
[Flavonol (3-OMe)]-A(4OMe)-B(2OH, 1OMe)	Flavonol	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 2OMe)	Flavonol	Digicitrin
[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OMe)	Flavonol	5,7-Dihydroxy-3,6,8,3',4',5'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 2OMe)	Flavonol	5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OMe)	Flavonol	5,7-Dihydroxy-3,6,8,2',4',5'-hexamethoxyflavone
[Isoflavone]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Mundulone
[Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Isoflavone	Auriculin
[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	4-Hydroxy-3-phenylcoumarin	Scandenin
[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	4-Hydroxy-3-phenylcoumarin	Lonchocarpic acid

Level: 3, プリカーサーm/z: 291.06604

Splash: splash10-00dr-0900000000-ad1bf2bedf0c03db5494

m/z	Int.	NL	Rel.Int.
138.99	395	152	1000
122.87	381	168	964
164.94	190	126	481
273.07	111	18	281
150.94	99	140	250
147.05	24	144	60

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.833	[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	Mesquitol
0.833	[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
0.833	[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	3,5,7,3',5'-Pentahydroxyflavan
0.833	[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	Catechin
0.375	[Flavan 3-ol]-A(1OH)-B(3OH)	Flavan 3-ol	Robinetinidol
0.286	[Dihydrochalcone]-A(3OH)-B(2OH)	Dihydrochalcone	3,4,2',4',6'-Pentahydroxydihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(3OH)-B(1OH)	Dihydrochalcone alpha-ol	Nubigenol
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(2OH)	Dihydrochalcone alpha-ol	3,4,2',4',alpha-Pentahydroxydihydrochalcone
0.000	[Flavan 4-ol]-A(2OH)-B(2OH)	Flavan 4-ol	Luteoforol
0.000	[Flavan 3,4-diol]-A(1OH)-B(2OH)	Flavan 3,4-diol	3,4,7,3',4'-Pentahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(1OH)	Flavan 3,4-diol	3,4,7,8,4'-Pentahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(1OH)	Flavan 3,4-diol	3,4,5,7,4'-Pentahydroxyflavan