ピーク情報

ミヤコグサ

pos

Peak #1890 MN MID: SE205_S07_M90

m/z: 550.20959, RT: 31.38, 強度: 24889, ログ強度: 0.90, 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: (2 names) FE 35A;Jadomycin B

DBごとのヒット数: ALL 2 KG 1 KN 1

FlavonoidSearch最大スコア MS2: -, 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
C30H31O9N	549.19988	4.437	FE 35A	KNApSAcK: C00016126
C30H31O9N	549.19988	4.437	Jadomycin B	KEGG: C12395 KNApSAcK: C00016835

Level: 2, プリカーサーm/z: 550.20953

Splash: splash10-014i-0000910000-76c98d2d344a435efcf9

m/z	Int.	NL	Rel.Int.
419.71	59404	131	1000
577.10	10480	-27	176

Level: 3, プリカーサーm/z: 419.63831

Splash: splash10-004i-0102090000-fc4770e215203e42d193

m/z	Int.	NL	Rel.Int.
577.06	15531	-157	1000
370.03	2919	50	187
289.10	1410	131	90
383.43	1260	36	81
163.04	1217	257	78
144.98	1112	275	71
478.12	993	-58	63

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Gangetinin
[Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OMe)	Dihydrochalcone	Calomelanol A
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cyclomorusin
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Isocyclomorusin
[Isoflavone]-A(1OH, 1([2,3:@@]-(6-Hydroxymethyl-6-methylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexone D
[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexin C
[Isoflavone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Scandinone
[Pterocarpan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Nitiducarpin
[Coumaranochromon]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Coumaranochromon	Millettin

Level: 3, プリカーサーm/z: 577.13867

Splash: splash10-004i-0002900000-2c7a11312c05a49e8fae

m/z	Int.	NL	Rel.Int.
478.07	2717	99	1000
315.87	468	261	172
379.12	356	198	131
289.05	163	288	59

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavone]-A(2OH, 1(1(O-<3-Hydroxy-3-methylglutaryl>)-C-Glu))-B(1OH)	Flavone	Vitexin 6''-(3-hydroxy-3-methylglutarate)
0.000	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl), 1Geranyl)	Dihydroflavonol	Sanggenol E