ピーク情報

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Peak #3892 MN MID: SE205_S02_M91

m/z: 657.20431, RT: 36.17, 強度: 1940, ログ強度: -0.18, アダクト: [2M+C2H6N2+2(HCOOH)-H2O-H]-, 共有数（同様のピークを含むサンプル数）: 3

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	-1.233	Bolton-Hunter reagent	HMDB: HMDB0246176
C13H13O5N	263.07937	-1.233	Glycocitridine	KNApSAcK: C00026433
C13H13O5N	263.07937	-1.233	Melisemine	KNApSAcK: C00026462
C14H17NS2	263.08024	-4.537	Dimethylthiambutene	HMDB: HMDB0061719

関連ピーク情報

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
	36.12	707.27740	50.0731	-0.09	[2M+C2H6N2+3(CH3OH)+HCOOH-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		3
	36.20	671.21946	14.0151	0.37	[2M+C2H6N2+CH3OH+2(HCOOH)-2(H2O)-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		3
3892	36.17	657.20431	0.0000	-0.18	[2M+C2H6N2+2(HCOOH)-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		3
	35.95	655.27260	-1.9317	0.16	[2M+2(C2H6N2)+CH3OH-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		2
	36.47	643.26109	-13.9432	-0.00	[2M+C2H6N2+3(CH3OH)-2(H2O)-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		2
	35.82	643.22493	-13.9794	1.51	[2M+C2H6N2+CH3OH+HCOOH-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		3
	36.42	643.22460	-13.9797	0.26	[2M+C2H6N2+CH3OH+HCOOH-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		4
	35.79	633.19642	-24.0079	0.28	[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		4
	35.86	629.20950	-27.9948	-0.37	[2M+C2H6N2+HCOOH-H]-, [M+3(CH3OH)-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		2
	35.84	625.21455	-31.9898	-0.21	[2M+C2H6N2+CH3OH+HCOOH-2(H2O)-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		1
	35.87	611.19906	-46.0053	0.13	[2M+C2H6N2+HCOOH-H2O-H]-, [M+CH3OH+HCOOH-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		4
	35.77	597.21993	-59.9844	1.04	[2M+C2H6N2+CH3OH-H2O-H]-, [M+2(HCOOH)-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2	MS2	4
	36.41	597.21910	-59.9852	-0.37	[2M+C2H6N2+CH3OH-H2O-H]-, [M+2(HCOOH)-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		4
	36.51	583.20398	-74.0003	-0.36	[2M+C2H6N2-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		9

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MSnスペクトル情報

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