ピーク情報

＜貝類＞ほたてがい生

pos

Peak #2040 MN MID: SE114_S103111_M90

m/z: 205.09712, RT: 33.24, 強度: 85236, ログ強度: 1.62, 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	-0.185	Quinacetol sulfate	KEGG: [f]C18944
C11H9O2N	187.06333	-0.185	N-(2,5-Dihydroxyphenyl)pyridinium(1+)	HMDB: [1]HMDB0040768
C11H9O2N	187.06333	-0.185	N-Methylquinolinium-2-carboxylate	KNApSAcK: C00026467
C11H9O2N	187.06333	-0.185	3-Indoleacrylate	HMDB: HMDB0000734 KEGG: C21283 KNApSAcK: C00000111
C6H10N5Cl	187.06247	4.386	Deethylatrazine	HMDB: HMDB0033249 KEGG: C06559

Level: 2, プリカーサーm/z: 205.09703

Splash: splash10-000i-0900000000-b49fb826982aa04ff093

m/z	Int.	NL	Rel.Int.
188.00	908445	17	1000

Level: 3, プリカーサーm/z: 188.04295

Splash: splash10-0002-0900000000-3477941287d6b95f0204

m/z	Int.	NL	Rel.Int.
145.97	181836	42	1000
144.01	17493	44	96

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
	33.25	246.12372	41.0266	0.06	[M+ACN+NH4]+, [M+C2H6N2+H]+	(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
2040	33.24	205.09712	0.0000	1.62	[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
	33.25	188.07064	-17.0265	-0.02	[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	121