ピーク情報

ミヤコグサ

pos

Peak #5503 MN MID: SE205_S07_M90

m/z: 453.13935, RT: 57.33, 強度: 3187, ログ強度: 0.01, 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: (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: 0.095, 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
C21H24O11	452.13186	0.479	Catechin-5-O-beta-D-glucopyranoside	FlavonoidViewer: FL63ACGS0010, FL63ACGS0011 HMDB: HMDB0037948 KNApSAcK: C00008846, C00008847 LipidMAPS: LMPK12020055, LMPK12020056
C21H24O11	452.13186	0.479	Curculigoside B	KNApSAcK: C00031703
C21H24O11	452.13186	0.479	6-C-Glucopyranosylcatechin	FlavonoidViewer: FL63ACCS0001, FL63ACCS0003 HMDB: HMDB0037399, HMDB0037400 KNApSAcK: C00006356, C00006358 LipidMAPS: LMPK12020039, LMPK12020041
C21H24O11	452.13186	0.479	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	0.479	Coatline B	FlavonoidViewer: FL1DHXCS0002 KNApSAcK: C00006116 LipidMAPS: LMPK12120567
C21H24O11	452.13186	0.479	3-Hydroxyphloretin 2'-O-glucoside	HMDB: HMDB0301672
C21H24O11	452.13186	0.479	8-C-Glucopyranosylcatechin	FlavonoidViewer: FL63ACCS0002, FL63ACCS0004, FL63ACCS0005 HMDB: HMDB0037401, HMDB0037402, HMDB0039823 KNApSAcK: C00006357, C00006359, C00013256 LipidMAPS: LMPK12020040, LMPK12020042, LMPK12020043
C21H24O11	452.13186	0.479	Catechin-4-ol 3-O-alpha-L-rhamnopyranoside	FlavonoidViewer: FL6DACGS0003 KNApSAcK: C00009018 LipidMAPS: LMPK12020201
C21H24O11	452.13186	0.479	Sieboldin	FlavonoidViewer: FL1DACGS0001 KNApSAcK: C00007993 LipidMAPS: LMPK12120530
C21H24O11	452.13186	0.479	6'-O-Galloylsalidroside	KNApSAcK: C00033581
C21H24O11	452.13186	0.479	Leucopelargonidin 3-O-glucoside	FlavonoidViewer: FL6DAAGS0001 KNApSAcK: C00009015 LipidMAPS: LMPK12020198
C21H24O11	452.13186	0.479	Catechin 7-O-beta-D-glucopyranoside	FlavonoidViewer: FL63ACGS0016, FL63ACGS0017 HMDB: HMDB0037949 KNApSAcK: C00008852, C00008853 LipidMAPS: LMPK12020060, LMPK12020061
C21H24O11	452.13186	0.479	Aspalathin	FlavonoidViewer: FL1DACCS0001 HMDB: HMDB0030851 KNApSAcK: C00006096 LipidMAPS: LMPK12120529
C21H24O11	452.13186	0.479	Catechin 3'-O-beta-D-glucopyranoside	FlavonoidViewer: FL63ACGS0019 HMDB: HMDB0029164, HMDB0037946 KNApSAcK: C00008855 LipidMAPS: LMPK12020063
C21H24O11	452.13186	0.479	Precarthamin	HMDB: HMDB0031967
C21H24O11	452.13186	0.479	Catechin 4'-O-beta-D-glucopyranoside	FlavonoidViewer: FL63ACGS0020 KNApSAcK: C00008856 LipidMAPS: LMPK12020064
C21H24O11	452.13186	0.479	Catechin 3-O-beta-D-glucopyranoside	FlavonoidViewer: FL63ACGS0002, FL63ACGS0005, FL63ACGS0006 HMDB: HMDB0037943 KNApSAcK: C00008838, C00008841, C00008842, C00033501 LipidMAPS: LMPK12020047, LMPK12020050, LMPK12020051
C21H24O11	452.13186	0.479	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: 453.13943

Splash: splash10-0002-0951200000-6a10c608d1fc3e0e412d

m/z	Int.	NL	Rel.Int.
148.89	3991	304	1000
204.79	1557	248	390
435.16	655	18	164
361.03	589	92	147
416.95	481	36	120
223.11	265	230	66
231.04	238	222	59
288.98	215	164	53

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.095	[Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(1OH, 1OMe)	Flavanone	Amoradinin
0.038	[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: 204.77362

Splash: splash10-0002-0900000000-b333cd8a9fed229c7104

m/z	Int.	NL	Rel.Int.
149.05	55	56	1000

Level: 3, プリカーサーm/z: 148.97687

Splash: splash10-00di-0900000000-b9e7ea6a4ca7eec37ecc

m/z	Int.	NL	Rel.Int.
120.85	39	28	1000
149.09	6	-0	162
92.96	2	56	56