ピーク情報

イヌカタヒバ

neg

Peak #3795 MN MID: SE205_S02_M91

m/z: 597.21993, RT: 35.77, 強度: 31704, ログ強度: 1.04, アダクト: [2M+C2H6N2+CH3OH-H2O-H]-, [M+2(HCOOH)-H2O-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	-0.537	Bolton-Hunter reagent	HMDB: HMDB0246176
C13H13O5N	263.07937	-0.537	Glycocitridine	KNApSAcK: C00026433
C13H13O5N	263.07937	-0.537	Melisemine	KNApSAcK: C00026462
C14H17NS2	263.08024	-3.841	Dimethylthiambutene	HMDB: HMDB0061719

MSnスペクトル情報

Level: 2, プリカーサーm/z: 597.21973

Splash: splash10-0a4r-0000900000-15e1b66a6dc565060ee9

m/z	Int.	NL	Rel.Int.
435.08	9717	162	1000
405.17	8823	192	907
417.20	4936	180	507
357.27	1782	240	183
553.32	981	44	100

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	110.0575	-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	73.9995	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
	35.92	661.23588	64.0159	0.43	[M+3(HCOOH)-H]-	(17 names) Excavatolide D; (+)-Excavatolide D; Mascaroside; Icariside E3; Briaexcavatin R; (+)-Briaexcavatin R; (8R,8'R)-Secoisolariciresinol 9-glucoside; Gibberellin A38 glucosyl ester; Ixerin M; Minabein 9; (-)-Isolaric...	ALL 13 KG 1 KN 10 HM 2	MS2	2
	36.17	657.20431	59.9844	-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	58.0527	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	46.0050	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	44.0374	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	35.9765	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	31.9896	-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	27.9946	-0.21	[2M+C2H6N2+CH3OH+HCOOH-2(H2O)-H]-	(4 names) Glycocitridine; Melisemine; Bolton-Hunter reagent; Dimethylthiambutene	ALL 4 KN 2 HM 2		1
	35.87	611.19906	13.9791	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
3795	35.77	597.21993	0.0000	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

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