ピーク情報

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pos

Peak #9465 MN MID: SE205_S02_M90

m/z: 556.34929, RT: 84.56, 強度: 48547, ログ強度: 1.16, アダクト: [M+C2H7N+H]+, [M+ACN+H]+, [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (4 names) 16-Diacetoxy-7alpha-hydroxy-18-malonyloxy-ent-cleroda-3-ene;methyl 9S,hydroxy-11R,15S,18-triacetoxy-5Z,13E-prostadienoate;1-(3Z,6Z,9Z,12Z,15Z-octadecapentaenoyl)-3-O-beta-D-galactosyl-sn-glycerol;meth...

DBごとのヒット数: ALL 4 KN 1 LM 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
C27H42O9	510.28288	2.512	6-oxo-2beta,3beta,14alpha,20R,22R,25-hexahydroxy-5beta-cholest-7-en-26-oic acid	LipidMAPS: LMST04030265
C27H42O9	510.28288	2.512	16-Diacetoxy-7alpha-hydroxy-18-malonyloxy-ent-cleroda-3-ene	KNApSAcK: C00022795
C27H42O9	510.28288	2.512	2beta,3beta,6,9alpha,15alpha,20R,22R,25-octahydroxycholesta-5,8(14)-dien-7-one	LipidMAPS: LMST01010530
C27H42O9	510.28288	2.512	methyl 9S,hydroxy-11R,15S,18-triacetoxy-5Z,13E-prostadienoate	LipidMAPS: LMFA03010222
C27H42O9	510.28288	2.512	1-(3Z,6Z,9Z,12Z,15Z-octadecapentaenoyl)-3-O-beta-D-galactosyl-sn-glycerol	LipidMAPS: LMGL04010011
C27H42O9	510.28288	2.512	methyl 15S-hydroxy-9S,11R,18-triacetoxy-5Z,13E-prostadienoate	LipidMAPS: LMFA03010224

MSnスペクトル情報

Level: 2, プリカーサーm/z: 556.34912

Splash: splash10-00di-0001190000-64e358a56eab1e4b6847

m/z	Int.	NL	Rel.Int.
521.03	1828	35	1000
327.58	231	229	126
404.03	188	152	102
539.64	123	17	67
556.25	117	0	64
429.21	100	127	54

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
	84.37	570.36498	14.0157	0.91	[M+CH5N+H]+	(4 names) Sanjoinine G2; Integristerone A 25-acetate; 22beta-acetoxy-2beta,3beta,11alpha,14alpha,20,25-hexahydroxy-5beta-cholest-7-en-6-one; 25-acetoxy-2beta,3beta,11alpha,14alpha,20R,22R-hexahydroxy-5beta-cholest...	ALL 4 KN 2 LM 2			1
	84.39	561.30448	4.9552	1.12	[M+Na]+	(4 names) Sanjoinine G2; Integristerone A 25-acetate; 22beta-acetoxy-2beta,3beta,11alpha,14alpha,20,25-hexahydroxy-5beta-cholest-7-en-6-one; 25-acetoxy-2beta,3beta,11alpha,14alpha,20R,22R-hexahydroxy-5beta-cholest...	ALL 4 KN 2 LM 2			1
9465	84.56	556.34929	0.0000	1.16	[M+C2H7N+H]+, [M+ACN+H]+, [M+NH4]+	(4 names) 16-Diacetoxy-7alpha-hydroxy-18-malonyloxy-ent-cleroda-3-ene; methyl 9S,hydroxy-11R,15S,18-triacetoxy-5Z,13E-prostadienoate; 1-(3Z,6Z,9Z,12Z,15Z-octadecapentaenoyl)-3-O-beta-D-galactosyl-sn-glycerol; meth...	ALL 4 KN 1 LM 3	MS2		1
	84.64	539.32209	-17.0272	1.82	[M+H]+	(4 names) Integristerone A 25-acetate; 22beta-acetoxy-2beta,3beta,11alpha,14alpha,20,25-hexahydroxy-5beta-cholest-7-en-6-one; 25-acetoxy-2beta,3beta,11alpha,14alpha,20R,22R-hexahydroxy-5beta-cholest-7-en-6-one; Sa...	ALL 4 KN 2 LM 2	MS2 MS3 x 2	0.250	1
	84.35	521.31157	-35.0377	2.54	[M-H2O+H]+	(4 names) Sanjoinine G2; Integristerone A 25-acetate; 22beta-acetoxy-2beta,3beta,11alpha,14alpha,20,25-hexahydroxy-5beta-cholest-7-en-6-one; 25-acetoxy-2beta,3beta,11alpha,14alpha,20R,22R-hexahydroxy-5beta-cholest...	ALL 4 KN 2 LM 2	MS2 MS3		1
	84.32	503.30095	-53.0483	1.04	[M-2(H2O)+H]+	(4 names) Integristerone A 25-acetate; 22beta-acetoxy-2beta,3beta,11alpha,14alpha,20,25-hexahydroxy-5beta-cholest-7-en-6-one; 25-acetoxy-2beta,3beta,11alpha,14alpha,20R,22R-hexahydroxy-5beta-cholest-7-en-6-one; Sa...	ALL 4 KN 2 LM 2	MS2		1

ピーク情報

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MSnスペクトル情報

FlavonoidSearch結果

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