ピーク情報

ミヤコグサ

neg

Peak #1575 MN MID: SE205_S07_M91

m/z: 827.22485, RT: 37.68, 強度: 260540, ログ強度: 1.98, アダクト: [2M-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) 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5'-O-glucuronide;Asperuloside;5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4'-O-glucuronide;Futalosine

DBごとのヒット数: ALL 4 KG 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
C18H22O11	414.11621	-0.361	5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5'-O-glucuronide	HMDB: HMDB0060028
C18H22O11	414.11621	-0.361	Asperuloside	HMDB: HMDB0248667 KEGG: C09769 KNApSAcK: C00003072
C18H22O11	414.11621	-0.361	5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4'-O-glucuronide	HMDB: HMDB0060027
C19H18O7N4	414.11755	-3.590	Futalosine	KEGG: C16999

MSnスペクトル情報

Level: 2, プリカーサーm/z: 827.22437

Splash: splash10-001i-0000009010-3a3dbf1162a1a71b9958

m/z	Int.	NL	Rel.Int.
681.18	140450	146	1000
663.20	58673	164	417
809.21	47672	18	339
609.24	22296	218	158

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
	37.69	914.25672	87.0319	0.26	[2M+ACN+HCOOH-H]-	(4 names) 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5'-O-glucuronide; Asperuloside; 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4'-O-glucuronide; Futalosine	ALL 4 KG 2 HM 2		1
	38.11	887.24592	60.0211	0.84	[2M+CH3OH+HCOOH-H2O-H]-	(4 names) 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5'-O-glucuronide; Asperuloside; 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4'-O-glucuronide; Futalosine	ALL 4 KG 2 HM 2	MS2	3
	37.42	885.27698	58.0521	0.08	[2M+C2H6N2-H]-	(4 names) 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5'-O-glucuronide; Asperuloside; 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4'-O-glucuronide; Futalosine	ALL 4 KG 2 HM 2		1
	37.70	873.22977	46.0049	1.37	[2M+HCOOH-H]-, [M+CH3OH-H]-	(4 names) 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5'-O-glucuronide; Asperuloside; 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4'-O-glucuronide; Futalosine	ALL 4 KG 2 HM 2	MS2	2
	37.67	868.25081	41.0260	0.86	[2M+ACN-H]-	(4 names) 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5'-O-glucuronide; Asperuloside; 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4'-O-glucuronide; Futalosine	ALL 4 KG 2 HM 2		1
	37.64	863.20130	35.9765	0.17	[2M+HCl-H]-	(4 names) 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5'-O-glucuronide; Asperuloside; 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4'-O-glucuronide; Futalosine	ALL 4 KG 2 HM 2		1
1575	37.68	827.22485	0.0000	1.98	[2M-H]-	(4 names) 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5'-O-glucuronide; Asperuloside; 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4'-O-glucuronide; Futalosine	ALL 4 KG 2 HM 2	MS2	2
	37.56	809.21494	-18.0099	0.46	[2M-H2O-H]-	(4 names) 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5'-O-glucuronide; Asperuloside; 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4'-O-glucuronide; Futalosine	ALL 4 KG 2 HM 2	MS2	1

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