ピーク情報

イチョウ　葉

pos

Peak #1935 MN MID: SE205_S01_M90

m/z: 611.13822, RT: 29.21, 強度: 758533, ログ強度: 2.33, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (15 names) Cyanidin 3-(caffeoylglucoside);Prodelphinidin B5;Orientin 2''-O-caffeate;6''-O-Caffeoylastragalin;6''-Caffeoylisoorientin;Delphinidin 3-(3''-p-coumaroylglucoside);Helichrysoside;Theasinensin C;Isoorie...

DBごとのヒット数: ALL 14 KG 3 KN 11

FlavonoidSearch最大スコア MS2: -, MS3: 0.034

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
C30H26O14	610.13226	-2.153	Cyanidin 3-(6''-caffeylglucoside)	FlavonoidViewer: [1]FL7AACGL0031 HMDB: [1]HMDB0303636 KEGG: [1]C16369 KNApSAcK: [1]C00006801 LipidMAPS: [1]LMPK12010140
C30H26O14	610.13226	-2.153	Prodelphinidin B5	KNApSAcK: C00009114, C00009115
C30H26O14	610.13226	-2.153	Orientin 2''-O-caffeate	FlavonoidViewer: FL3FACCS0061 KNApSAcK: C00014103 LipidMAPS: LMPK12110529
C30H26O14	610.13226	-2.153	Luteolin-7-O-(2''-O-caffeoyl)-beta-D-glucopyranoside	LipidMAPS: LMPK12113414
C30H26O14	610.13226	-2.153	Kaempferol 3-(6''-caffeoylglucoside)	FlavonoidViewer: FL5FAAGS0106 HMDB: HMDB0030239 KNApSAcK: C00013773 LipidMAPS: LMPK12111941
C30H26O14	610.13226	-2.153	Isoorientin 6''-O-caffeate	FlavonoidViewer: FL3FACCS0058 HMDB: HMDB0033004 KNApSAcK: C00014100 LipidMAPS: LMPK12110526
C30H26O14	610.13226	-2.153	Delphinidin 3-(3''-p-coumaroylglucoside)	HMDB: [1]HMDB0030099 KNApSAcK: [1]C00020411
C30H26O14	610.13226	-2.153	Helichrysoside	FlavonoidViewer: FL5FACGL0059 KNApSAcK: C00005961 LipidMAPS: LMPK12112144
C30H26O14	610.13226	-2.153	Theasinensin C	HMDB: HMDB0038829 KNApSAcK: C00008917
C30H26O14	610.13226	-2.153	Isoorientin 2''-O-(E)-caffeate	FlavonoidViewer: FL3FACCS0036 KNApSAcK: C00006299 LipidMAPS: LMPK12110504
C30H26O14	610.13226	-2.153	Orientin 7-O-caffeate	FlavonoidViewer: FL3FACCS0043 KNApSAcK: C00006379 LipidMAPS: LMPK12110511
C30H26O14	610.13226	-2.153	Quercetin 3-(2''-p-coumarylglucoside)	FlavonoidViewer: FL5FACGL0057 KNApSAcK: C00005959 LipidMAPS: LMPK12112142
C30H26O14	610.13226	-2.153	Quercetin 3-(3''-p-coumarylglucoside)	FlavonoidViewer: FL5FACGL0058 HMDB: HMDB0037365 KNApSAcK: C00005960 LipidMAPS: LMPK12112143
C30H26O14	610.13226	-2.153	Gallocatechin-(4alpha->8)-epigallocatechin	HMDB: HMDB0037652, HMDB0303615 KEGG: C10227 KNApSAcK: C00002923, C00009116, C00009117, C00009118 LipidMAPS: LMPK12030010
C30H26O14	610.13226	-2.153	Delphinidin 3-(6''-p-coumarylglucoside)	FlavonoidViewer: [1]FL7AAGGA0010, [1]FL7AAGGL0017 HMDB: [1]HMDB0037089 KEGG: [1]C16370 KNApSAcK: [1]C00006878, [1]C00011107 LipidMAPS: [1]LMPK12010269, [1]LMPK12010293

MSnスペクトル情報

Level: 2, プリカーサーm/z: 611.13782

Splash: splash10-052f-0015900000-8e8cdcfd095ce782e648

m/z	Int.	NL	Rel.Int.
443.06	123418	168	1000
307.07	46411	304	376
317.15	38414	294	311
425.09	33555	186	271
305.10	15618	306	126
287.14	14300	324	115
263.09	12442	348	100
467.21	7836	144	63
299.12	6635	312	53

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(2OH, 2(C-Glu))-B(2OH)	Flavone	Lucenin 2
[Isoflavone]-A(2OH, 2(C-Glu))-B(2OH)	Isoflavone	Orobol 6,8-di-C-glucoside
[Flavone]-A(2OH, 1(1(O-(E)-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-(E)-caffeate
[Flavone]-A(2OH, 1(1(O-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 6''-O-caffeate
[Flavone]-A(2OH, 1((O-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-caffeate
[Flavone]-A(2OH, 1(1(O-Caffeoyl)-C-Glu))-B(2OH)	Flavone	Orientin 2''-O-caffeate

Level: 3, プリカーサーm/z: 443.06354

Splash: splash10-00or-0089700000-7827da7f48aa35c7b7e1

m/z	Int.	NL	Rel.Int.
317.14	34546	126	1000
425.20	28903	18	836
275.07	18721	168	541
299.18	11703	144	338
287.23	2280	156	66

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.034	[Isoflavone]-A(2OH, 1OMe, 1(C-Prenyl))-B(3OMe)	Isoflavone	6-Prenylisocaviunin
0.000	[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-Galloyl))	Flavan 3-ol	Catechin 3-O-gallate
0.000	[Flavan 3-ol]-A(1OH)-B(3OH)-C(1(O-Galloyl))	Flavan 3-ol	Robinetinidol 3-O-gallate
0.000	[Flavanone]-A(2OH, 1(5-methyl-2-(2-hydroxyisopropyl)-4-hexenyl))-B(2OH)	Flavanone	Exiguaflavanone M
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH)	Flavanone	Lonchocarpol B
0.000	[Flavanone]-A(2OH)-B(2OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl))	Flavanone	Propolin A
0.000	[Flavanone]-A(2OH)-B(2OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl))	Flavanone	Propolin B
0.000	[Flavanone]-A(2OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl))-B(2OH)	Flavanone	Prokinawan
0.000	[6,12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	6,12a-Hydroxyrotenone	Villol

Level: 3, プリカーサーm/z: 307.06641

Splash: splash10-000i-0920000000-e1c24c88a93fbef4c092

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
1.250	[Flavan 3-ol]-A(2OH)-B(3OH)	Flavan 3-ol	Gallocatechin
0.063	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Isolonchocarpin
0.063	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Lonchocarpin
0.000	[Aurone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Aurone	3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone
0.000	[Flavan 3,4-diol]-A(1OH)-B(3OH)	Flavan 3,4-diol	3,4,7,3',4',5'-Hexahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(2OH)	Flavan 3,4-diol	3,4,7,8,3',4'-Hexahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(2OH)	Flavan 3,4-diol	Catechin-4-ol
0.000	[Pterocarpene]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpene	Neoduleen

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.
139.00	13341	168	1000
150.96	9264	156	694
289.03	6294	18	471
181.07	1109	126	83