ピーク情報

シロイヌナズナ　地上部

pos

Peak #10367 MN MID: SE200_S1_M90

m/z: 631.42186, RT: 89.35, 強度: 226388, ログ強度: 1.73, アダクト: [M+H]+, 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) 12-O-(2-Methylbutyryl)phorbol-13-dodecanoate;3beta,5beta,10beta,14beta-tetrahydroxy-19-norbufa-20,22-dienolide-3beta-yl-14-hydroxy-tetradecanoate;Charantoside I;4-O-Methyl-12-O-tetradecanoylphorbol 13...

DBごとのヒット数: ALL 4 KN 2 HM 1 LM 1

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
C37H58O8	630.41317	2.249	12-O-(2-Methylbutyryl)phorbol-13-dodecanoate	KNApSAcK: C00050629
C37H58O8	630.41317	2.249	3beta,5beta,10beta,14beta-tetrahydroxy-19-norbufa-20,22-dienolide-3beta-yl-14-hydroxy-tetradecanoate	LipidMAPS: LMST01020115
C37H58O8	630.41317	2.249	Charantoside I	KNApSAcK: C00054729
C37H58O8	630.41317	2.249	4-O-Methyl-12-O-tetradecanoylphorbol 13-acetate	HMDB: HMDB0246554

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
	89.36	663.44869	32.0268	1.09	[M+CH3OH+H]+	(4 names) 12-O-(2-Methylbutyryl)phorbol-13-dodecanoate; 3beta,5beta,10beta,14beta-tetrahydroxy-19-norbufa-20,22-dienolide-3beta-yl-14-hydroxy-tetradecanoate; Charantoside I; 4-O-Methyl-12-O-tetradecanoylphorbol 13...	ALL 4 KN 2 HM 1 LM 1	MS2		1
	89.35	645.43693	14.0151	2.06	[M+CH3OH-H2O+H]+	(4 names) 12-O-(2-Methylbutyryl)phorbol-13-dodecanoate; 3beta,5beta,10beta,14beta-tetrahydroxy-19-norbufa-20,22-dienolide-3beta-yl-14-hydroxy-tetradecanoate; Charantoside I; 4-O-Methyl-12-O-tetradecanoylphorbol 13...	ALL 4 KN 2 HM 1 LM 1	MS2 MS3 x 2	0.023	1
10367	89.35	631.42186	0.0000	1.73	[M+H]+	(4 names) 12-O-(2-Methylbutyryl)phorbol-13-dodecanoate; 3beta,5beta,10beta,14beta-tetrahydroxy-19-norbufa-20,22-dienolide-3beta-yl-14-hydroxy-tetradecanoate; Charantoside I; 4-O-Methyl-12-O-tetradecanoylphorbol 13...	ALL 4 KN 2 HM 1 LM 1			1
	89.35	627.42754	-3.9943	1.07	[M+CH3OH-2(H2O)+H]+	(4 names) 12-O-(2-Methylbutyryl)phorbol-13-dodecanoate; 3beta,5beta,10beta,14beta-tetrahydroxy-19-norbufa-20,22-dienolide-3beta-yl-14-hydroxy-tetradecanoate; Charantoside I; 4-O-Methyl-12-O-tetradecanoylphorbol 13...	ALL 4 KN 2 HM 1 LM 1	MS2		1
	89.35	613.41099	-18.0109	1.65	[M+H]+, [M-H2O+H]+			MS2 MS3 x 2		1
	89.36	595.40117	-36.0207	0.76	[M-2(H2O)+H]+	(4 names) 12-O-(2-Methylbutyryl)phorbol-13-dodecanoate; 3beta,5beta,10beta,14beta-tetrahydroxy-19-norbufa-20,22-dienolide-3beta-yl-14-hydroxy-tetradecanoate; Charantoside I; 4-O-Methyl-12-O-tetradecanoylphorbol 13...	ALL 4 KN 2 HM 1 LM 1	MS2		2

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MSnスペクトル情報

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