ピーク情報

よもぎ葉生

pos

Peak #4616 MN MID: SE116_S063011_M90

m/z: 547.14465, RT: 48.86, 強度: 315857, ログ強度: 2.01, アダクト: [M+IsoProp-2(H2O)+H]+, 共有数（同様のピークを含むサンプル数）: 13

DB検索結果: (6 names) 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide;Quercetagetin 7-(6''-acetylglucoside);Myricetin 3-(6-acetylgalactoside);Spinatoside;Syringetin 3-glucuronide;3,3',5,6-Tetrahydroxy-4',7-dimeth...

DBごとのヒット数: ALL 6 KN 3 HM 3

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
C23H22O14	522.10096	0.059	3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide	HMDB: HMDB0038262
C23H22O14	522.10096	0.059	Quercetagetin 7-(6''-acetylglucoside)	FlavonoidViewer: FL5FECGS0040 KNApSAcK: C00006020 LipidMAPS: LMPK12112944
C23H22O14	522.10096	0.059	Myricetin 3-(6-acetylgalactoside)	HMDB: HMDB0035462
C23H22O14	522.10096	0.059	Spinatoside	FlavonoidViewer: FL5FECGS0014 HMDB: HMDB0037457 KNApSAcK: C00005656 LipidMAPS: LMPK12112918
C23H22O14	522.10096	0.059	Syringetin 3-glucuronide	FlavonoidViewer: FL5FAIGS0003 KNApSAcK: C00005779 LipidMAPS: LMPK12112495
C23H22O14	522.10096	0.059	3,3',5,6-Tetrahydroxy-4',7-dimethoxyflavone 3-glucuronide	HMDB: HMDB0038263

MSnスペクトル情報

Level: 2, プリカーサーm/z: 547.14404

Splash: splash10-004l-0701090000-136ebd82f85d37fd9632

m/z	Int.	NL	Rel.Int.
529.18	2484	18	1000
193.03	2047	354	824
530.17	325	17	130
511.16	263	36	105
385.16	256	162	102
178.02	224	369	90
379.20	171	168	68
194.07	162	353	65

Level: 3, プリカーサーm/z: 529.13849

Splash: splash10-0006-0904110000-3e80b06772424b8bfcfd

m/z	Int.	NL	Rel.Int.
193.01	709	336	1000
319.13	259	210	365
349.28	240	180	338
511.23	172	18	242
177.98	151	351	212
481.29	124	48	174
162.95	95	366	133

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(3OH, 2(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	2'-Hydroxychalcone	Neolinderachalcone
0.000	[Flavanone]-A(2OH, 2(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	Flavanone	Neolinderatone

Level: 3, プリカーサーm/z: 193.09138

Splash: splash10-004i-0900000000-d805a765ead7b5a46959

m/z	Int.	NL	Rel.Int.
177.98	640	15	1000
174.98	50	18	78
165.05	36	28	57
146.93	35	46	55

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
4616	48.86	547.14465	0.0000	2.01	[M+IsoProp-2(H2O)+H]+	(6 names) 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide; Quercetagetin 7-(6''-acetylglucoside); Myricetin 3-(6-acetylgalactoside); Spinatoside; Syringetin 3-glucuronide; 3,3',5,6-Tetrahydroxy-4',7-dimeth...	ALL 6 KN 3 HM 3	MS2 MS3 x 2	13
	48.87	529.13426	-18.0104	0.34	[M+IsoProp-3(H2O)+H]+	(6 names) 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide; Quercetagetin 7-(6''-acetylglucoside); Myricetin 3-(6-acetylgalactoside); Spinatoside; Syringetin 3-glucuronide; 3,3',5,6-Tetrahydroxy-4',7-dimeth...	ALL 6 KN 3 HM 3		3
	49.29	529.13418	-18.0105	0.16	[M+IsoProp-3(H2O)+H]+	(6 names) 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide; Quercetagetin 7-(6''-acetylglucoside); Myricetin 3-(6-acetylgalactoside); Spinatoside; Syringetin 3-glucuronide; 3,3',5,6-Tetrahydroxy-4',7-dimeth...	ALL 6 KN 3 HM 3		2

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MSnスペクトル情報

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