ピーク情報

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Peak #3823 MN MID: SE205_S02_M91

m/z: 611.19906, RT: 35.87, 強度: 3928, ログ強度: 0.13, アダクト: [2M+C2H6N2+HCOOH-H2O-H]-, [M+CH3OH+HCOOH-H]-, 共有数（同様のピークを含むサンプル数）: 4

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	-0.804	Bolton-Hunter reagent	HMDB: HMDB0246176
C13H13O5N	263.07937	-0.804	Glycocitridine	KNApSAcK: C00026433
C13H13O5N	263.07937	-0.804	Melisemine	KNApSAcK: C00026462
C14H17NS2	263.08024	-4.107	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	96.0783	-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	60.0204	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
	36.17	657.20431	46.0053	-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	44.0735	0.16	[2M+2(C2H6N2)+CH3OH-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		2
	35.82	643.22493	32.0259	1.51	[2M+C2H6N2+CH3OH+HCOOH-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		3
	35.60	641.25729	30.0582	0.05	[2M+2(C2H6N2)-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		2
	35.79	633.19642	21.9974	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	18.0104	-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	14.0155	-0.21	[2M+C2H6N2+CH3OH+HCOOH-2(H2O)-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		1
3823	35.87	611.19906	0.0000	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	-13.9791	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

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DB検索結果

MSnスペクトル情報

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