ピーク情報

イチョウ　葉

pos

Peak #10766 MN MID: SE205_S01_M90

m/z: 557.38434, RT: 87.45, 強度: 8884, ログ強度: 0.40, アダクト: [M+3(CH3OH)-4(H2O)+H]+, 共有数（同様のピークを含むサンプル数）: 3

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	1.263	(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	1.263	2beta,3beta-diacetoxy-15alpha,22R-dihydroxy-5alpha-cholest-7-en-6-one	LipidMAPS: LMST01010617
C31H48O7	532.34000	1.263	Quadrangularic acid G	KNApSAcK: C00046573, C00046870
C31H48O7	532.34000	1.263	3beta,6beta,19alpha-trihydroxy-urs-12-en-28-oic acid-24-carboxylic acid methyl ester	LipidMAPS: LMPR0106180021

MSnスペクトル情報

Level: 2, プリカーサーm/z: 557.38428

Splash: splash10-000i-0000390000-95e81f812d5f7bd70d03

m/z	Int.	NL	Rel.Int.
539.40	4224	18	1000
465.51	750	92	177
483.50	562	74	133
223.19	520	334	122
447.42	494	110	116
521.58	339	36	80
529.44	279	28	65

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
	87.46	575.39480	18.0105	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
10766	87.45	557.38434	0.0000	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
	87.64	533.34767	-24.0367	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	-42.0471	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

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