ピーク情報

イヌカタヒバ

neg

Peak #5679 MN MID: SE205_S02_M91

m/z: 583.20396, RT: 41.15, 強度: 78493, ログ強度: 1.43, アダクト: [2M+C2H6N2-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	-1.144	Bolton-Hunter reagent	HMDB: HMDB0246176
C13H13O5N	263.07937	-1.144	Glycocitridine	KNApSAcK: C00026433
C13H13O5N	263.07937	-1.144	Melisemine	KNApSAcK: C00026462
C14H17NS2	263.08024	-4.447	Dimethylthiambutene	HMDB: HMDB0061719

Level: 2, プリカーサーm/z: 583.20374

Splash: splash10-00di-0000900000-7d7646a73c52cd50e65a

m/z	Int.	NL	Rel.Int.
421.21	59421	162	1000
373.27	3245	210	54

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	105.0799	-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	60.0213	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	49.9934	-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
	41.15	629.24596	46.0420	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	32.0259	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	9.9842	-0.36	[2M+C2H6N2+HCOOH-2(H2O)-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		5
5679	41.15	583.20396	0.0000	1.43	[2M+C2H6N2-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2	MS2	5