ピーク情報

こむぎ［その他］ちくわぶ

pos

Peak #1300 MN MID: SE118_S010691_M90

m/z: 188.07065, RT: 33.20, 強度: 1331, ログ強度: -0.25, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 121

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	0.253	Quinacetol sulfate	KEGG: [f]C18944
C11H9O2N	187.06333	0.253	N-(2,5-Dihydroxyphenyl)pyridinium(1+)	HMDB: [1]HMDB0040768
C11H9O2N	187.06333	0.253	N-Methylquinolinium-2-carboxylate	KNApSAcK: C00026467
C11H9O2N	187.06333	0.253	3-Indoleacrylate	HMDB: HMDB0000734 KEGG: C21283 KNApSAcK: C00000111
C6H10N5Cl	187.06247	4.824	Deethylatrazine	HMDB: HMDB0033249 KEGG: C06559

Level: 2, プリカーサーm/z: 188.07042

Splash: splash10-0002-0900000000-99549b78a8eee243078e

m/z	Int.	NL	Rel.Int.
145.97	76225	42	1000
144.04	8008	44	105

Level: 3, プリカーサーm/z: 145.97429

Splash: splash10-014i-0900000000-7d4ef2d5c51d92556572

m/z	Int.	NL	Rel.Int.
117.94	25331	28	1000

Level: 3, プリカーサーm/z: 144.04228

Splash: splash10-00kf-0900000000-cff1cf8abc40e0552391

m/z	Int.	NL	Rel.Int.
144.99	46	-1	1000
117.04	43	27	928

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
	33.19	246.12365	58.0530	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		135
	33.19	205.09711	17.0265	1.48	[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
1300	33.20	188.07065	0.0000	-0.25	[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