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Peak #6077 MN MID: SE205_S02_M91

m/z: 601.17059, RT: 42.03, 強度: 1405, ログ強度: -0.32, アダクト: [2M+C2H6N2+HCl-H2O-H]-, 共有数（同様のピークを含むサンプル数）: 1

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	-0.165	Bolton-Hunter reagent	HMDB: HMDB0246176
C13H13O5N	263.07937	-0.165	Glycocitridine	KNApSAcK: C00026433
C13H13O5N	263.07937	-0.165	Melisemine	KNApSAcK: C00026462
C14H17NS2	263.08024	-3.469	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
	42.44	675.25190	74.0813	0.56	[2M+C2H6N2+2(CH3OH)+HCOOH-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		2
	41.85	661.27246	60.1019	0.44	[2M+C2H6N2+3(CH3OH)-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		1
	41.80	647.17677	46.0062	-0.50	[2M+C2H6N2+HCOOH+HCl-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		1
	42.04	643.22527	42.0547	1.00	[2M+C2H6N2+CH3OH+HCOOH-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		9
	41.74	642.24153	41.0709	-0.39	[2M+C2H6N2+CH5N+HCOOH-H2O-H]-, [M+C2H7N+2(CH3OH)-H2O-H]-, [2M+C2H6N2+CH3OH+HCOOH+NH3-2(H2O)-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		2
	42.03	633.19764	32.0271	-0.38	[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		2
	42.30	615.23003	14.0594	0.85	[2M+C2H6N2+CH3OH-H]-, [M+2(HCOOH)-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		5
	41.92	611.19919	10.0286	1.38	[2M+C2H6N2+HCOOH-H2O-H]-, [M+CH3OH+HCOOH-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2	MS2	5
6077	42.03	601.17059	0.0000	-0.32	[2M+C2H6N2+HCl-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		1
	41.96	597.21956	-3.9510	1.48	[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

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MSnスペクトル情報

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