ピーク情報

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Peak #5681 MN MID: SE205_S02_M91

m/z: 629.24596, RT: 41.15, 強度: 19421, ログ強度: 0.82, アダクト: [2M+C2H6N2+2(CH3OH)-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	-0.889	Bolton-Hunter reagent	HMDB: HMDB0246176
C13H13O5N	263.07937	-0.889	Glycocitridine	KNApSAcK: C00026433
C13H13O5N	263.07937	-0.889	Melisemine	KNApSAcK: C00026462
C14H17NS2	263.08024	-4.192	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
	41.43	688.28387	59.0379	-0.02	[2M+C2H6N2+C2H7N+CH3OH+HCOOH-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		4
	41.12	643.22529	13.9793	1.27	[2M+C2H6N2+CH3OH+HCOOH-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		11
	41.16	633.19732	3.9514	-0.03	[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
5681	41.15	629.24596	0.0000	0.82	[2M+C2H6N2+2(CH3OH)-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		3
	41.10	615.22983	-14.0161	2.01	[2M+C2H6N2+CH3OH-H]-, [M+2(HCOOH)-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2	MS2	6
	40.68	593.18817	-36.0578	-0.36	[2M+C2H6N2+HCOOH-2(H2O)-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		5
	41.15	583.20396	-46.0420	1.43	[2M+C2H6N2-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2	MS2	5