ピーク情報

＜魚類＞（かじき類）めかじき生

pos

Peak #1454 MN MID: SE117_S100851_M90

m/z: 205.09704, RT: 33.41, 強度: 30157, ログ強度: 0.76, 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	-0.611	Quinacetol sulfate	KEGG: [f]C18944
C11H9O2N	187.06333	-0.611	N-(2,5-Dihydroxyphenyl)pyridinium(1+)	HMDB: [1]HMDB0040768
C11H9O2N	187.06333	-0.611	N-Methylquinolinium-2-carboxylate	KNApSAcK: C00026467
C11H9O2N	187.06333	-0.611	3-Indoleacrylate	HMDB: HMDB0000734 KEGG: C21283 KNApSAcK: C00000111
C6H10N5Cl	187.06247	3.960	Deethylatrazine	HMDB: HMDB0033249 KEGG: C06559

Level: 2, プリカーサーm/z: 205.09702

Splash: splash10-000i-0900000000-e5e6d1654a127fd74047

m/z	Int.	NL	Rel.Int.
188.03	733842	17	1000

Level: 3, プリカーサーm/z: 188.02519

Splash: splash10-0002-0900000000-5de7be079a2f677032a2

m/z	Int.	NL	Rel.Int.
145.94	282116	42	1000
143.99	30080	44	106

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
	33.41	246.12362	41.0266	-0.54	[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		136
1454	33.41	205.09704	0.0000	0.76	[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
	33.45	188.07043	-17.0266	-0.83	[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	127