ピーク情報

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neg

Peak #4094 MN MID: SE205_S02_M91

m/z: 615.23021, RT: 37.15, 強度: 1875, ログ強度: -0.19, アダクト: [2M+C2H6N2+CH3OH-H]-, 共有数（同様のピークを含むサンプル数）: 2

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	-1.092	Bolton-Hunter reagent	HMDB: HMDB0246176
C13H13O5N	263.07937	-1.092	Glycocitridine	KNApSAcK: C00026433
C13H13O5N	263.07937	-1.092	Melisemine	KNApSAcK: C00026462
C14H17NS2	263.08024	-4.395	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
	36.98	675.25114	60.0209	-0.09	[2M+C2H6N2+2(CH3OH)+HCOOH-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		2
	37.30	671.22020	55.9900	0.21	[2M+C2H6N2+CH3OH+2(HCOOH)-2(H2O)-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		2
	37.43	657.24064	42.0104	0.17	[2M+C2H6N2+2(CH3OH)+HCOOH-2(H2O)-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		4
	37.21	643.22496	27.9948	0.89	[2M+C2H6N2+CH3OH+HCOOH-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2	MS2	5
	37.24	633.19646	17.9663	0.18	[2M+C2H6N2+CH3OH+HCl-H2O-H]-, [M+2(HCOOH)+HCl-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		3
	37.31	629.20955	13.9793	-0.19	[2M+C2H6N2+HCOOH-H]-, [M+3(CH3OH)-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		3
4094	37.15	615.23021	0.0000	-0.19	[2M+C2H6N2+CH3OH-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		2