ピーク情報

シロイヌナズナ　地上部

pos

Peak #11618 MN MID: SE200_S1_M90

m/z: 645.43783, RT: 94.84, 強度: 3329260, ログ強度: 2.90, アダクト: [M+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	2.745	12-O-(2-Methylbutyryl)phorbol-13-dodecanoate	KNApSAcK: C00050629
C37H58O8	630.41317	2.745	3beta,5beta,10beta,14beta-tetrahydroxy-19-norbufa-20,22-dienolide-3beta-yl-14-hydroxy-tetradecanoate	LipidMAPS: LMST01020115
C37H58O8	630.41317	2.745	Charantoside I	KNApSAcK: C00054729
C37H58O8	630.41317	2.745	4-O-Methyl-12-O-tetradecanoylphorbol 13-acetate	HMDB: HMDB0246554

MSnスペクトル情報

Level: 2, プリカーサーm/z: 645.43756

Splash: splash10-000i-0000093000-4cdff5f25cf2d9aaf600

m/z	Int.	NL	Rel.Int.
585.36	7579	60	1000
617.43	2037	28	268
557.37	1288	88	169
613.25	900	32	118
584.50	517	61	68
498.41	440	147	58
616.81	428	29	56

Level: 3, プリカーサーm/z: 617.42944

Splash: splash10-0a4i-0000090000-9197d753ee44d01bebb8

m/z	Int.	NL	Rel.Int.
557.35	1684	60	1000
556.26	151	61	89
585.35	123	32	72

Level: 3, プリカーサーm/z: 585.36218

Splash: splash10-0597-0000930000-168c7ba4bae5ce196eda

m/z	Int.	NL	Rel.Int.
443.31	1167	142	1000
557.38	1071	28	917
471.32	845	114	723
498.30	620	87	530
499.28	460	86	393
470.34	422	115	361
529.26	331	56	283
469.31	329	116	281
442.43	271	143	231
525.29	211	60	181
497.26	196	88	167
511.11	165	74	141
483.23	136	102	116
441.39	129	144	110
484.23	125	101	107
553.23	105	32	90
556.25	83	29	71

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavone]-A(2OH, 1(1(O-Galloyl)-C-Glu))-B(1OH)	Flavone	Vitexin 2''-O-gallate
0.000	[Flavone]-A(2OH, 1(1(O-Galloyl)-C-Glu))-B(1OH)	Flavone	2''-O-Galloylisovitexin

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
	94.82	677.46399	32.0262	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	14.0162	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
11618	94.84	645.43783	0.0000	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	-18.0105	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	-32.0260	2.08	[M+H]+, [M-H2O+H]+			MS2 MS3 x 2	0.105	1
	94.83	595.40163	-50.0362	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

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MSnスペクトル情報

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