ピーク情報

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Peak #6496 MN MID: SE205_S02_M91

m/z: 579.20941, RT: 42.85, 強度: 893, ログ強度: -0.51, アダクト: [2M+C2H6N2+CH3OH-2(H2O)-H]-, 共有数（同様のピークを含むサンプル数）: 6

DB検索結果: (4 names) Glycocitridine;Melisemine;Bolton-Hunter reagent;Dimethylthiambutene

DBごとのヒット数: ALL 4 KN 2 HM 2

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
C13H13O5N	263.07937	-0.457	Bolton-Hunter reagent	HMDB: HMDB0246176
C13H13O5N	263.07937	-0.457	Glycocitridine	KNApSAcK: C00026433
C13H13O5N	263.07937	-0.457	Melisemine	KNApSAcK: C00026462
C14H17NS2	263.08024	-3.760	Dimethylthiambutene	HMDB: HMDB0061719

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
	42.80	689.23092	110.0215	0.09	[2M+C2H6N2+CH3OH+2(HCOOH)-H2O-H]-, [M-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		3
	42.44	675.25190	96.0425	0.56	[2M+C2H6N2+2(CH3OH)+HCOOH-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		2
	43.02	661.27247	82.0631	0.96	[2M+C2H6N2+3(CH3OH)-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		2
	42.70	629.24636	50.0369	0.55	[2M+C2H6N2+2(CH3OH)-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		3
	42.70	625.21482	46.0054	0.66	[2M+C2H6N2+CH3OH+HCOOH-2(H2O)-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		6
	42.84	611.19931	31.9899	1.20	[2M+C2H6N2+HCOOH-H2O-H]-, [M+CH3OH+HCOOH-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2	MS2	10
	42.55	583.20377	3.9944	0.98	[2M+C2H6N2-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		4
6496	42.85	579.20941	0.0000	-0.51	[2M+C2H6N2+CH3OH-2(H2O)-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		6
	43.02	561.12943	-18.0800	0.46	[2M+HCl-H]-	(4 names) Dimethylthiambutene; Glycocitridine; Melisemine; Bolton-Hunter reagent	ALL 4 KN 2 HM 2		3