ピーク情報

ミヤコグサ

pos

Peak #5875 MN MID: SE205_S07_M90

m/z: 309.12340, RT: 61.59, 強度: 11548, ログ強度: 0.57, 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: (4 names) C.I. Solvent Red 80;Azacridone A;4'-Methoxydehydrocyclopeptin;ROQUINIMEX

DBごとのヒット数: ALL 4 KG 1 KN 2 HM 1

FlavonoidSearch最大スコア MS2: 0.095, 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
C18H16O3N2	308.11609	0.091	Citrus Red No.2	HMDB: HMDB0037521 KEGG: C19214
C18H16O3N2	308.11609	0.091	Azacridone A	HMDB: HMDB0040367 KNApSAcK: C00055348
C18H16O3N2	308.11609	0.091	4'-Methoxydehydrocyclopeptin	KNApSAcK: C00051982
C18H16O3N2	308.11609	0.091	ROQUINIMEX	HMDB: HMDB0257305

Level: 2, プリカーサーm/z: 309.12320

Splash: splash10-01ox-0390000000-c438422fc5e88ec2b870

m/z	Int.	NL	Rel.Int.
291.09	27304	18	1000
263.07	19311	46	707
158.96	9702	150	355
129.98	2944	179	107
188.03	2476	121	90
176.98	1382	132	50

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.095	[Flavanone]-A(1OH, 1(C-Prenyl))-B(none)	Flavanone	Ovaliflavanone B
0.095	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Isocordoin
0.000	[2'-Hydroxychalcone]-A(2OH, 1(1,1-Dimethylallyl))-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-3'-(1,1-Dimethylallyl)chalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	O-Methylpongamol
0.000	[Flavanone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Flavanone	3',4'-Methylenedioxy-[2'',3'':7,8]furanoflavanone
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(1OH)	Flavone	3'-Hydroxy-6-methoxyfurano[2'',3'':7,8]flavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Flavonol	3-Hydroxy-6-methoxyfurano[2'',3'':7,8]flavone
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neodulin

Level: 3, プリカーサーm/z: 291.08893

Splash: splash10-03di-0090000000-a885a0b96e0a5077b96a

m/z	Int.	NL	Rel.Int.
263.06	21813	28	1000
245.15	3290	46	150
273.12	1529	18	70

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.143	[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	Mesquitol
0.143	[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
0.143	[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	3,5,7,3',5'-Pentahydroxyflavan
0.143	[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	Catechin
0.143	[Flavan 3-ol]-A(1OH)-B(3OH)	Flavan 3-ol	Robinetinidol
0.000	[Dihydrochalcone]-A(3OH)-B(2OH)	Dihydrochalcone	3,4,2',4',6'-Pentahydroxydihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(3OH)-B(1OH)	Dihydrochalcone alpha-ol	Nubigenol
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(2OH)	Dihydrochalcone alpha-ol	3,4,2',4',alpha-Pentahydroxydihydrochalcone
0.000	[Flavan 4-ol]-A(2OH)-B(2OH)	Flavan 4-ol	Luteoforol
0.000	[Flavan 3,4-diol]-A(1OH)-B(2OH)	Flavan 3,4-diol	3,4,7,3',4'-Pentahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(1OH)	Flavan 3,4-diol	3,4,7,8,4'-Pentahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(1OH)	Flavan 3,4-diol	3,4,5,7,4'-Pentahydroxyflavan

Level: 3, プリカーサーm/z: 263.07016

Splash: splash10-0udi-0910000000-121918710fde23aba8cc

m/z	Int.	NL	Rel.Int.
104.87	6931	158	1000
159.97	2309	103	333
245.15	1402	18	202
234.18	526	29	75