ピーク情報

＜貝類＞（はまぐり類）はまぐり生

pos

Peak #1661 MN MID: SE117_S103061_M90

m/z: 205.09710, RT: 33.45, 強度: 132102, ログ強度: 1.86, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 199

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	-0.291	Quinacetol sulfate	KEGG: [f]C18944
C11H9O2N	187.06333	-0.291	N-(2,5-Dihydroxyphenyl)pyridinium(1+)	HMDB: [1]HMDB0040768
C11H9O2N	187.06333	-0.291	N-Methylquinolinium-2-carboxylate	KNApSAcK: C00026467
C11H9O2N	187.06333	-0.291	3-Indoleacrylate	HMDB: HMDB0000734 KEGG: C21283 KNApSAcK: C00000111
C6H10N5Cl	187.06247	4.280	Deethylatrazine	HMDB: HMDB0033249 KEGG: C06559

Level: 2, プリカーサーm/z: 205.09706

Splash: splash10-000i-0900000000-c9714378060d27b72297

m/z	Int.	NL	Rel.Int.
188.01	2623100	17	1000

Level: 3, プリカーサーm/z: 188.03041

Splash: splash10-0002-0900000000-959bbfb996979bf9fa21

m/z	Int.	NL	Rel.Int.
145.95	1014624	42	1000
144.03	108263	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
	33.46	246.12367	41.0266	0.78	[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
1661	33.45	205.09710	0.0000	1.86	[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	199
	33.51	188.07047	-17.0266	0.17	[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		127