ピーク情報

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Peak #6027 MN MID: SE205_S02_M91

m/z: 611.19919, RT: 41.92, 強度: 69346, ログ強度: 1.38, 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）: 5

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	-0.560	Bolton-Hunter reagent	HMDB: HMDB0246176
C13H13O5N	263.07937	-0.560	Glycocitridine	KNApSAcK: C00026433
C13H13O5N	263.07937	-0.560	Melisemine	KNApSAcK: C00026462
C14H17NS2	263.08024	-3.864	Dimethylthiambutene	HMDB: HMDB0061719

MSnスペクトル情報

Level: 2, プリカーサーm/z: 611.19885

Splash: splash10-0002-0010920000-9c35e609b1ebf06ceff0

m/z	Int.	NL	Rel.Int.
449.10	1017	162	1000
223.07	134	388	131
550.97	107	60	105
593.48	76	18	74
403.32	66	208	64
563.23	62	48	60
567.32	56	44	54

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	77.0847	-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	50.0733	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	35.9776	-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	32.0261	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	31.0423	-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	21.9985	-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	4.0308	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
6027	41.92	611.19919	0.0000	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	-10.0286	-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	-13.9796	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

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

関連ピーク情報