ピーク情報

イネ　玄米　ニッポンバレ

pos

Peak #3043 MN MID: SE199_S21_M90

m/z: 527.67983, RT: 39.98, 強度: 3118, ログ強度: 0.09, 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: 0.143

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	0.217	(5Z,11Z,14Z,17Z)-Icosa-5,11,14,17-tetraenoyl-CoA	KEGG: C21083 LipidMAPS: LMFA07050491
C41H66O17N7P3S	1053.34488	0.217	Arachidonyl-CoA	HMDB: HMDB0006523 KEGG: C02249 LipidMAPS: LMFA07050288
C41H66O17N7P3S	1053.34488	0.217	(8Z,11Z,14Z,17Z)-Icosatetraenoyl-CoA	HMDB: HMDB0060184, HMDB0062247, HMDB0301361 KEGG: C16164 LipidMAPS: LMFA07050134
C41H66O17N7P3S	1053.34488	0.217	(3E,8Z,11Z,14Z)-Icosatetraenoyl-CoA	HMDB: HMDB0062536

Level: 2, プリカーサーm/z: 527.67987

Splash: splash10-0002-0000900000-65df94d3f82874a60114

m/z	Int.	NL	Rel.Int.
446.78	2733	81	1000
401.66	400	126	146
892.14	223	-364	81
482.66	192	45	70

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: 446.74341

Splash: splash10-0udl-0036910000-2df0850ac8cb37ba2039

m/z	Int.	NL	Rel.Int.
401.67	238	45	1000
392.67	175	54	732
268.03	83	179	348
402.30	47	44	195
358.26	32	88	134
250.03	31	197	130
625.27	25	-179	106
535.33	23	-89	94
410.99	16	36	65
516.96	12	-70	52

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.067	[Flavone]-A(2OH, 1(C-Glu))-B(1OMe)	Flavone	Cytisoside
0.067	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OH)	Flavone	Isoswertisin
0.067	[Flavone]-A(2OH, 1(C-Glu))-B(1OMe)	Flavone	Isocytisoside
0.067	[Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(1OH)	Flavone	Swertisin
0.067	[Isoflavone]-A(1OH, 1(C-Glu))-B(1OH, 1OMe)	Isoflavone	Pueraria glycoside 3
0.067	[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