ピーク情報

＜アルコール飲料類＞（醸造酒類）ビール黒

pos

Peak #1989 MN MID: SE169_S160071_M90

m/z: 205.09723, RT: 33.20, 強度: 100366, ログ強度: 1.36, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 200

DB検索結果: (4 names) N-Methylquinolinium-2-carboxylate;N-(2,5-Dihydroxyphenyl)pyridinium(1+);Indoleacrylic acid;Deethylatrazine

DBごとのヒット数: ALL 5 KG 3 KN 1 HM 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
C11H9O2N	187.06333	0.415	Quinacetol sulfate	KEGG: [f]C18944
C11H9O2N	187.06333	0.415	N-(2,5-Dihydroxyphenyl)pyridinium(1+)	HMDB: [1]HMDB0040768
C11H9O2N	187.06333	0.415	N-Methylquinolinium-2-carboxylate	KNApSAcK: C00026467
C11H9O2N	187.06333	0.415	3-Indoleacrylate	HMDB: HMDB0000734 KEGG: C21283 KNApSAcK: C00000111
C6H10N5Cl	187.06247	4.986	Deethylatrazine	HMDB: HMDB0033249 KEGG: C06559

Level: 2, プリカーサーm/z: 205.09718

Splash: splash10-000i-0900000000-533978b705ab259b681d

m/z	Int.	NL	Rel.Int.
188.02	3318218	17	1000

Level: 3, プリカーサーm/z: 187.97488

Splash: splash10-0002-0900000000-e396bf1d89047857effb

m/z	Int.	NL	Rel.Int.
145.97	1871721	42	1000
143.98	204006	44	108

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	共有数
	33.18	246.12372	41.0265	0.01	[M+C2H6N2+H]+, [M+ACN+NH4]+	(5 names) N-Methylquinolinium-2-carboxylate; N-(2,5-Dihydroxyphenyl)pyridinium(1+); Indoleacrylic acid; Deethylatrazine; 6-Fluoropyridoxol	ALL 6 KG 3 KN 1 HM 2		135
1989	33.20	205.09723	0.0000	1.36	[M+NH4]+	(4 names) N-Methylquinolinium-2-carboxylate; N-(2,5-Dihydroxyphenyl)pyridinium(1+); Indoleacrylic acid; Deethylatrazine	ALL 5 KG 3 KN 1 HM 1	MS2 MS3	200
	33.19	188.07067	-17.0266	0.31	[M+H]+	(4 names) N-Methylquinolinium-2-carboxylate; N-(2,5-Dihydroxyphenyl)pyridinium(1+); Indoleacrylic acid; Deethylatrazine	ALL 5 KG 3 KN 1 HM 1	MS2 MS3 x 2	120