ピーク情報

イチョウ　葉

pos

Peak #4489 MN MID: SE205_S01_M90

m/z: 773.19432, RT: 45.50, 強度: 32434, ログ強度: 0.97, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (14 names) Kaempferol 3-(6'''-caffeylglucosyl)-(1->2)-galactoside;Isoorientin 4'-O-glucoside-2''-O-(E)-caffeate;Cyanidin 3-glucoside 5-caffeoylglucoside;Luteolin 7-glucosyl-(1->6)-(4'''-caffeoylglucoside);Awoban...

DBごとのヒット数: ALL 13 KG 2 KN 11

FlavonoidSearch最大スコア MS2: -, MS3: 0.222

DB検索結果

ppm

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
C36H36O19	772.18508	2.542	Kaempferol 3-(6'''-caffeylglucosyl)-(1->2)-galactoside	FlavonoidViewer: FL5FAAGA0032 KNApSAcK: C00005875 LipidMAPS: LMPK12111693
C36H36O19	772.18508	2.542	Isoorientin 4'-O-glucoside-2''-O-(E)-caffeate	FlavonoidViewer: FL3FACDS0017 KNApSAcK: C00006330 LipidMAPS: LMPK12110550
C36H36O19	772.18508	2.542	Gentiocyanin A	FlavonoidViewer: [1]FL7AACGL0051 KEGG: [1]C16372 KNApSAcK: [1]C00006822 LipidMAPS: [1]LMPK12010160
C36H36O19	772.18508	2.542	Awobanin	FlavonoidViewer: [1]FL7AAGGL0021 HMDB: [1]HMDB0038000 KNApSAcK: [1]C00006884 LipidMAPS: [1]LMPK12010297
C36H36O19	772.18508	2.542	Luteolin 7-glucosyl-(1->6)-(4'''-caffeoylglucoside)	FlavonoidViewer: FL3FACGS0082 KNApSAcK: C00013667 LipidMAPS: LMPK12110716
C36H36O19	772.18508	2.542	Cyanidin 3-(2-glucosyl-6-caffeoylglucoside)	FlavonoidViewer: [1]FL7AACGL0104 KNApSAcK: [1]C00014760 LipidMAPS: [1]LMPK12010213
C36H36O19	772.18508	2.542	Implexaflavone	KNApSAcK: C00050122
C36H36O19	772.18508	2.542	6-Hydroxyluteoin-7-(6'''-p-coumarylsophoroside)	FlavonoidViewer: FL3FECGS0021 KNApSAcK: C00004396 LipidMAPS: LMPK12111194
C36H36O19	772.18508	2.542	Kaempferol 3-caffeylsophoroside	FlavonoidViewer: FL5FAAGL0080 KNApSAcK: C00005881 LipidMAPS: LMPK12111802
C36H36O19	772.18508	2.542	Cyanidin 3-glucoside-3'-(6''-caffeylglucoside)	FlavonoidViewer: [1]FL7AACGL0058 KNApSAcK: [1]C00006829 LipidMAPS: [1]LMPK12010167
C36H36O19	772.18508	2.542	Cyanidin 3-(6''-caffeylglucoside)-5-glucoside	FlavonoidViewer: [1]FL7AACGL0050 HMDB: [1]HMDB0037983 KNApSAcK: [1]C00006821 LipidMAPS: [1]LMPK12010159
C36H36O19	772.18508	2.542	Delphinidin 3-glucoside-5-(6-(E)-p-coumaroylglucoside)	FlavonoidViewer: [1]FL7AAGGA0007, [1]FL7AAGGL0069 KEGG: [1]C16351 KNApSAcK: [1]C00006881, [1]C00014820 LipidMAPS: [1]LMPK12010266, [1]LMPK12010345
C36H36O19	772.18508	2.542	Quercetin 3-O-beta-(6''-O-E-p-coumaroylglucoside)-7-O-beta-glucoside	FlavonoidViewer: FL5FACGL0078 KNApSAcK: C00011129 LipidMAPS: LMPK12112163

MSnスペクトル情報

Level: 2, プリカーサーm/z: 773.19147

Splash: splash10-066r-0001900200-6298563254d0a73559e8

m/z	Int.	NL	Rel.Int.
465.18	5153	308	1000
457.33	2034	316	394
456.27	1661	317	322
483.27	1048	290	203
447.23	988	326	191
611.10	964	162	187
361.20	939	412	182
755.29	934	18	181
754.38	901	19	174
742.28	899	31	174
426.34	738	347	143
427.31	726	346	140
482.26	671	291	130
429.24	634	344	123
309.13	464	464	90
382.27	426	391	82
383.27	419	390	81
743.27	388	30	75
507.12	371	266	72
458.31	333	315	64

Level: 3, プリカーサーm/z: 465.18402

Splash: splash10-0002-0002900000-8852227c2577428396f9

m/z	Int.	NL	Rel.Int.
447.24	2797	18	1000
429.14	1276	36	456
361.18	512	104	183
331.18	256	134	91
385.16	233	80	83

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.222	[Flavone]-A(2OH, 1(C-Glu))-B(3OH)	Flavone	Isoaffinetin
0.222	[Flavone]-A(2OH, 1(C-Glu))-B(3OH)	Flavone	Tricetin 8-C-glucopyranoside
0.222	[Flavone]-A(2OH, 1(C-Glu))-B(3OH)	Flavone	6-C-beta-D-Glucopyranosylisoetin
0.222	[Flavonol]-A(2OH, 1(C-Glu))-B(2OH)	Flavonol	6-C-Glucosylquercetin
0.000	[Flavanone]-A(2OH, 1(C-Glu))-B(1OH, 1OMe)	Flavanone	Dihydroscoparin
0.000	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Glu))-B(1OH)	Dihydroflavonol	Keyakinol
0.000	[Flavonol]-A(2OH, 1(C-Glu))-B(2OH)	Flavonol	8-C-Glucosylquercetin
0.000	[Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Euchrenone b4

Level: 3, プリカーサーm/z: 457.32520

Splash: splash10-004i-0000900000-b2356df81018009e770e

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Vanilloyl))	Flavan 3-ol	Gallocatechin 3-O-vanillate
[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-1(OMe)-Galloyl))	Flavan 3-ol	Catechin 3-O-(3-O-methylgallate)
[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-1(OMe)-Galloyl))	Flavan 3-ol	Catechin 3-O-(4-O-methylgallate)
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(2OH)	2'-Hydroxychalcone	Kuraridinol
[CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(1OH, 1OMe, 1(C-Prenyl))	CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone	Antiarone J
[Flavanone]-A(2OH, 1(2-(2-hydroxyisopropyl)-5-methyl-4-hexenyl))-B(2OH)	Flavanone	Kushenol Q
[Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(1OH, 1OMe)	Flavanone	Kushenol P
[Flavonol]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(2OH)	Flavonol	Kushenol G
[Isoflavone]-A(2OH, 1(2,3-Dihydroxy-3-methylbutyl))-B(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone M

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

m/z	Int.	NL	Rel.Int.
427.26	1507	30	1000
383.38	195	74	129
426.58	144	31	95
428.31	119	29	79