ピーク情報

イチョウ　葉

pos

Peak #10772 MN MID: SE205_S01_M90

m/z: 575.39480, RT: 87.46, 強度: 8077, ログ強度: 0.36, アダクト: [M+3(CH3OH)-3(H2O)+H]+, [M+IsoProp-H2O+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) (5Z,7E)-(1S,3R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol 3-hemiglutarate;Quadrangularic acid G;(+)-Quadrangularic acid G;3beta,6beta,19alpha-trihydroxy-urs-12-en-28-oic acid-24-carboxyl...

DBごとのヒット数: ALL 3 KN 1 LM 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
C31H48O7	532.34000	1.068	(5Z,7E)-(1S,3R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol 3-hemiglutarate	LipidMAPS: LMST03020492
C31H48O7	532.34000	1.068	2beta,3beta-diacetoxy-15alpha,22R-dihydroxy-5alpha-cholest-7-en-6-one	LipidMAPS: LMST01010617
C31H48O7	532.34000	1.068	Quadrangularic acid G	KNApSAcK: C00046573, C00046870
C31H48O7	532.34000	1.068	3beta,6beta,19alpha-trihydroxy-urs-12-en-28-oic acid-24-carboxylic acid methyl ester	LipidMAPS: LMPR0106180021

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	FS3	共有数
10772	87.46	575.39480	0.0000	0.36	[M+3(CH3OH)-3(H2O)+H]+, [M+IsoProp-H2O+H]+	(4 names) (5Z,7E)-(1S,3R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol 3-hemiglutarate; Quadrangularic acid G; (+)-Quadrangularic acid G; 3beta,6beta,19alpha-trihydroxy-urs-12-en-28-oic acid-24-carboxyl...	ALL 3 KN 1 LM 2			2
	87.45	557.38434	-18.0105	0.40	[M+3(CH3OH)-4(H2O)+H]+	(4 names) (5Z,7E)-(1S,3R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol 3-hemiglutarate; Quadrangularic acid G; (+)-Quadrangularic acid G; 3beta,6beta,19alpha-trihydroxy-urs-12-en-28-oic acid-24-carboxyl...	ALL 3 KN 1 LM 2	MS2		3
	87.48	543.36851	-32.0263	1.08	[M+2(CH3OH)-3(H2O)+H]+	(4 names) (5Z,7E)-(1S,3R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol 3-hemiglutarate; Quadrangularic acid G; (+)-Quadrangularic acid G; 3beta,6beta,19alpha-trihydroxy-urs-12-en-28-oic acid-24-carboxyl...	ALL 3 KN 1 LM 2	MS2 MS3 x 2	0.028	3
	87.64	533.34767	-42.0471	1.68	[M+H]+	(4 names) (5Z,7E)-(1S,3R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol 3-hemiglutarate; Quadrangularic acid G; (+)-Quadrangularic acid G; 3beta,6beta,19alpha-trihydroxy-urs-12-en-28-oic acid-24-carboxyl...	ALL 3 KN 1 LM 2	MS2 MS3 x 2		2
	87.64	515.33725	-60.0576	1.55	[M-H2O+H]+	(4 names) (5Z,7E)-(1S,3R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol 3-hemiglutarate; Quadrangularic acid G; (+)-Quadrangularic acid G; 3beta,6beta,19alpha-trihydroxy-urs-12-en-28-oic acid-24-carboxyl...	ALL 3 KN 1 LM 2	MS2 MS3 x 2	0.160	2

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MSnスペクトル情報

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