ピーク情報

シロイヌナズナ　地上部

pos

Peak #11607 MN MID: SE200_S1_M90

m/z: 677.46399, RT: 94.82, 強度: 934333, ログ強度: 2.35, アダクト: [M+2(CH3OH)-H2O+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	2.664	12-O-(2-Methylbutyryl)phorbol-13-dodecanoate	KNApSAcK: C00050629
C37H58O8	630.41317	2.664	3beta,5beta,10beta,14beta-tetrahydroxy-19-norbufa-20,22-dienolide-3beta-yl-14-hydroxy-tetradecanoate	LipidMAPS: LMST01020115
C37H58O8	630.41317	2.664	Charantoside I	KNApSAcK: C00054729
C37H58O8	630.41317	2.664	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
	94.85	694.49260	17.0286	0.86	[M+CH3OH+CH5N+H]+					1
11607	94.82	677.46399	0.0000	2.35	[M+2(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			1
	94.83	659.45398	-18.0100	2.27	[M+2(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 MS3 x 2		1
	94.84	645.43783	-32.0262	2.90	[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		1
	94.83	627.42730	-50.0367	2.59	[M+CH3OH-2(H2O)+H]+, [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	MS2 MS3 x 2	0.026	1
	94.84	613.41178	-64.0522	2.08	[M+H]+, [M-H2O+H]+			MS2 MS3 x 2	0.105	1
	94.83	595.40163	-82.0624	1.63	[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

ピーク情報

DB検索結果

MSnスペクトル情報

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