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Peak #5943 MN MID: SE205_S02_M91

m/z: 642.24153, RT: 41.74, 強度: 1199, ログ強度: -0.39, アダクト: [2M+C2H6N2+CH5N+HCOOH-H2O-H]-, [M+C2H7N+2(CH3OH)-H2O-H]-, [2M+C2H6N2+CH3OH+HCOOH+NH3-2(H2O)-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	-0.289	Bolton-Hunter reagent	HMDB: HMDB0246176
C13H13O5N	263.07937	-0.289	Glycocitridine	KNApSAcK: C00026433
C13H13O5N	263.07937	-0.289	Melisemine	KNApSAcK: C00026462
C14H17NS2	263.08024	-3.593	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
	41.43	688.28387	46.0423	-0.02	[2M+C2H6N2+C2H7N+CH3OH+HCOOH-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		4
	41.85	661.27246	19.0309	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	4.9352	-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	0.9837	1.00	[2M+C2H6N2+CH3OH+HCOOH-H2O-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		9
5943	41.74	642.24153	0.0000	-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	-9.0439	-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
	41.92	611.19919	-31.0423	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
	42.03	601.17059	-41.0709	-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	-45.0220	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
	41.94	597.18325	-45.0583	1.09	[M+2(CH3OH)-H2O-H]-	(9 names) Clitoriacetal 11-O-glucoside; (6R,6aS,12aR)-6,11,12a-Trihydroxy-2,3,9-trimethoxyrotenone 11-O-glucoside; 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone; 3',5,6-Trihydroxy-3,4',7,8-tetramethoxyflavone 3-gl...	ALL 8 KN 5 HM 3		11
	41.39	583.16783	-59.0737	0.90	[M+CH3OH-H]-, [M+HCOOH-H2O-H]-	(9 names) Clitoriacetal 11-O-glucoside; (6R,6aS,12aR)-6,11,12a-Trihydroxy-2,3,9-trimethoxyrotenone 11-O-glucoside; 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone; 3',5,6-Trihydroxy-3,4',7,8-tetramethoxyflavone 3-gl...	ALL 8 KN 5 HM 3		5
	41.54	533.13071	-109.1108	1.93	[M-H2O-H]-	(9 names) Clitoriacetal 11-O-glucoside; (6R,6aS,12aR)-6,11,12a-Trihydroxy-2,3,9-trimethoxyrotenone 11-O-glucoside; 7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone; 3',5,6-Trihydroxy-3,4',7,8-tetramethoxyflavone 3-gl...	ALL 8 KN 5 HM 3	MS2	1

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MSnスペクトル情報

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