ピーク情報

＜香辛料類＞にんにくおろし

pos

Peak #4161 MN MID: SE122_S170761_M90

m/z: 243.13393, RT: 40.35, 強度: 15219, ログ強度: 0.43, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 28

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	-0.018	2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-hydroxy-1-methylbutyl)-	HMDB: HMDB0246099
C11H18O4N2	242.12666	-0.018	3'-Hydroxyamobarbital	HMDB: HMDB0246097

Level: 2, プリカーサーm/z: 243.13335

Splash: splash10-0002-0930000000-3635828592e43e446e1b

m/z	Int.	NL	Rel.Int.
197.06	98214	46	1000
225.06	47778	18	486
132.03	16920	111	172

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: 197.05605

Splash: splash10-002f-1900000000-095d5a27ed3c7af5175b

m/z	Int.	NL	Rel.Int.
141.00	17636	56	1000
129.01	16119	68	913
86.01	3888	111	220
112.82	2613	84	148
83.86	1487	113	84

Level: 3, プリカーサーm/z: 225.05513

Splash: splash10-0002-0900000000-b6f503bceb14b9204e49

m/z	Int.	NL	Rel.Int.
197.11	14566	28	1000
207.10	736	18	50

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
	40.36	284.16052	41.0266	-0.13	[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
4161	40.35	243.13393	0.0000	0.43	[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	28