ピーク情報

＜調味料類＞（食酢類）果実酢ぶどう酢

pos

Peak #2748 MN MID: SE118_S170171_M90

m/z: 243.13388, RT: 40.52, 強度: 5658, ログ強度: 0.42, 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	-0.231	2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-hydroxy-1-methylbutyl)-	HMDB: HMDB0246099
C11H18O4N2	242.12666	-0.231	3'-Hydroxyamobarbital	HMDB: HMDB0246097

Level: 2, プリカーサーm/z: 243.13335

Splash: splash10-002b-0930000000-eb286c11907f3e531ebc

m/z	Int.	NL	Rel.Int.
197.05	28202	46	1000
225.02	14695	18	521
131.96	4970	111	176

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: 197.05180

Splash: splash10-002f-1900000000-e19b59a84ec1916ba96b

m/z	Int.	NL	Rel.Int.
140.93	5864	56	1000
128.94	4329	68	738
85.94	1149	111	195
112.88	767	84	130
83.92	358	113	61

Level: 3, プリカーサーm/z: 225.02124

Splash: splash10-0002-0900000000-f57d99f5c53e79ab9c0a

m/z	Int.	NL	Rel.Int.
197.16	4306	28	1000
207.05	293	18	68

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
	40.52	284.16035	41.0265	0.16	[M+ACN+H]+	(2 names) 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-hydroxy-1-methylbutyl)-; 3'-Hydroxyamobarbital	ALL 2 HM 2				20
2748	40.52	243.13388	0.0000	0.42	[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