ピーク情報

ピスタチオいり味付け

pos

Peak #2421 MN MID: SE117_S050261_M90

m/z: 243.13393, RT: 40.86, 強度: 5537, ログ強度: 0.35, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 27

DB検索結果: (2 names) 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-hydroxy-1-methylbutyl)-;3'-Hydroxyamobarbital

DBごとのヒット数: ALL 2 HM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.250

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
C11H18O4N2	242.12666	-0.034	2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-hydroxy-1-methylbutyl)-	HMDB: HMDB0246099
C11H18O4N2	242.12666	-0.034	3'-Hydroxyamobarbital	HMDB: HMDB0246097

Level: 2, プリカーサーm/z: 243.13353

Splash: splash10-002b-0940000000-81b73186d8250423c512

m/z	Int.	NL	Rel.Int.
197.07	29959	46	1000
225.01	15927	18	531
132.03	5481	111	182

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Isoflavan]-A(1OH)-B(1OH)	Isoflavan	Equol
[Dihydrochalcone]-A(2OH)-B(none)	Dihydrochalcone	2',4'-Dihydroxydihydrochalcone
[Flavan]-A(1OH)-B(1OH)	Flavan	7,4'-Dihydroxyflavan
[Flavan]-A(2OH)-B(none)	Flavan	5,7-Dihydroxyflavan
[2-Phenylbenzofuran]-A(1OH)-B(2OH)	2-Phenylbenzofuran	6,2',4'-Trihydroxy-2-phenylbenzofuran

Level: 3, プリカーサーm/z: 197.07121

Splash: splash10-002f-1900000000-7b9f6f22c1d692e6ab1c

m/z	Int.	NL	Rel.Int.
141.00	5500	56	1000
128.98	5139	68	934
86.00	1201	111	218
113.01	652	84	118
83.87	434	113	78

Level: 3, プリカーサーm/z: 225.01067

Splash: splash10-0002-0900000000-371aa146a157f7f58931

m/z	Int.	NL	Rel.Int.
197.05	4283	28	1000
207.08	287	18	66

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.250	[Chalcone]-A(1OH)-B(none)	Chalcone	4'-Hydroxychalcone

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS2	FS3	共有数
	40.85	284.16044	41.0265	0.14	[M+ACN+H]+, [M+NH4]+	(2 names) 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-hydroxy-1-methylbutyl)-; 3'-Hydroxyamobarbital	ALL 2 HM 2	MS2 MS3			20
2421	40.86	243.13393	0.0000	0.35	[M+H]+	(2 names) 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-hydroxy-1-methylbutyl)-; 3'-Hydroxyamobarbital	ALL 2 HM 2	MS2 MS3 x 2		0.250	27