ピーク情報

イネ　玄米　コシヒカリ

pos

Peak #2951 MN MID: SE199_S11_M90

m/z: 527.68024, RT: 40.08, 強度: 4725, ログ強度: 0.25, アダクト: [M+2H]2+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (4 names) (5Z,11Z,14Z,17Z)-Icosa-5,11,14,17-tetraenoyl-CoA;Arachidonyl-CoA;Eicosatetranoyl coenzyme A;(3E,8Z,11Z,14Z)-Icosatetraenoyl-CoA

DBごとのヒット数: ALL 4 KG 3 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.091

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
C41H66O17N7P3S	1053.34488	0.989	(5Z,11Z,14Z,17Z)-Icosa-5,11,14,17-tetraenoyl-CoA	KEGG: C21083 LipidMAPS: LMFA07050491
C41H66O17N7P3S	1053.34488	0.989	Arachidonyl-CoA	HMDB: HMDB0006523 KEGG: C02249 LipidMAPS: LMFA07050288
C41H66O17N7P3S	1053.34488	0.989	(8Z,11Z,14Z,17Z)-Icosatetraenoyl-CoA	HMDB: HMDB0060184, HMDB0062247, HMDB0301361 KEGG: C16164 LipidMAPS: LMFA07050134
C41H66O17N7P3S	1053.34488	0.989	(3E,8Z,11Z,14Z)-Icosatetraenoyl-CoA	HMDB: HMDB0062536

Level: 2, プリカーサーm/z: 527.67999

Splash: splash10-0002-0000900000-b3a20739642d7fd6c1ba

m/z	Int.	NL	Rel.Int.
446.80	6525	81	1000
401.79	1069	126	163
482.75	614	45	94
892.25	525	-365	80

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1([3,2:@@]-(5-oxo-11-Hydroxy-11-styryl-4,10-dioxa-bicyclo[7.3.1]-2-trideceno)))-B(none)	2'-Hydroxychalcone	Kurzichalcolactone
[Flavanone]-A(1OH, 1([3,2:@@]-(5-oxo-11-Hydroxy-11-styryl-4,10-dioxa-bicyclo[7.3.1]-2-trideceno)))-B(none)	Flavanone	Kurziflavolactone A
[Flavanone]-A(1OH, 1([3,2:@@]-(5-oxo-11-Hydroxy-11-styryl-4,10-dioxa-bicyclo[7.3.1]-2-trideceno)))-B(none)	Flavanone	Kurziflavolactone C
[Dihydroflavonol]-A(2OH, 1(3-Hydroxy-3-methylbutyl), 1Lavandulyl)-B(2OH)	Dihydroflavonol	Kosamol A
[Flavan 3-ol]-A(2OH, 1(2,4,6-Trihydroxy-3-isobutyryl-5-methylbenzyl))-B(2OH)	Flavan 3-ol	Pilosanol B
[Flavan 3-ol]-A(2OH, 1(3-Butyryl-2,4,6-trihydroxy-5-methylbenzyl))-B(2OH)	Flavan 3-ol	Pilosanol C

Level: 3, プリカーサーm/z: 447.31445

Splash: splash10-0udi-0013900000-56c50e71adafa4a2c2a2

m/z	Int.	NL	Rel.Int.
401.87	785	45	1000
392.67	255	55	324
268.13	101	179	128
625.30	52	-178	66
358.16	51	89	64
517.30	46	-70	58

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.091	[Flavone]-A(2OH, 1(C-Glu))-B(1OMe)	Flavone	Cytisoside
0.091	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OH)	Flavone	Isoswertisin
0.091	[Flavone]-A(2OH, 1(C-Glu))-B(1OMe)	Flavone	Isocytisoside
0.091	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OH)	Flavone	Swertisin
0.091	[Isoflavone]-A(1OH, 1(C-Glu))-B(1OH, 1OMe)	Isoflavone	Pueraria glycoside 3
0.091	[Isoflavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OH)	Isoflavone	Prunetin 8-C-glucoside
0.000	[Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5-(2-Hydroxy-5-methoxycarbonylphenyl)furano)))-B(none)	Dihydrochalcone	Longicaudatin
0.000	[Flavone]-A(2OH, 1(C-Fucosyl))-B(1OH, 1OMe)	Flavone	6-C-fucosyl-3'-methoxyluteoiin
0.000	[CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin (4'-Hydroxy)]-A(1OH)-B(1OH, 2OMe)	CCS-type derivative / [2,3,4:5,4a,4]-(6-Phenylpyrano)anthocyanidin	Malvidin 4-vinylphenol