ピーク情報

シロイヌナズナ　地上部

pos

Peak #9241 MN MID: SE200_S1_M90

m/z: 641.44210, RT: 84.15, 強度: 623222, ログ強度: 2.17, アダクト: [M+2(CH3OH)-3(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: 0.133

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	1.450	12-O-(2-Methylbutyryl)phorbol-13-dodecanoate	KNApSAcK: C00050629
C37H58O8	630.41317	1.450	3beta,5beta,10beta,14beta-tetrahydroxy-19-norbufa-20,22-dienolide-3beta-yl-14-hydroxy-tetradecanoate	LipidMAPS: LMST01020115
C37H58O8	630.41317	1.450	Charantoside I	KNApSAcK: C00054729
C37H58O8	630.41317	1.450	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: 641.44098

Splash: splash10-00di-0011009000-253bd2faf61aaff6eaac

m/z	Int.	NL	Rel.Int.
623.45	69764	18	1000
349.34	9851	292	141
293.30	7455	348	106
275.28	6742	366	96

Level: 3, プリカーサーm/z: 623.49304

Splash: splash10-004l-0090000000-bb24bd130ebfcacd6768

m/z	Int.	NL	Rel.Int.
275.22	9370	348	1000
293.23	8009	330	854
349.33	1279	274	136
257.29	788	366	84
239.12	496	384	52

Level: 3, プリカーサーm/z: 349.27405

Splash: splash10-002f-0090000000-246398f6a866898cafa0

m/z	Int.	NL	Rel.Int.
293.29	1770	56	1000
275.30	1450	74	819
257.39	141	92	79

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.133	[Flavonol]-A(3OH)-B(2OH, 1OMe)	Flavonol	3,6,7,8,3',4'-Hexahydroxy-5'-methoxyflavone
0.133	[Flavonol]-A(2OH, 1OMe)-B(3OH)	Flavonol	Hibiscetin 8-methyl ether
0.133	[Flavonol]-A(4OH)-B(1OH, 1OMe)	Flavonol	3,5,6,7,8,4'-Hexahydroxy-3'-methoxyflavone
0.125	[Coumestan]-A(1OMe)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Coumestan	Tuberostan
0.000	[Dihydroflavonol]-A(2OH)-B(1OH, 2OMe)	Dihydroflavonol	Dihydrosyringetin
0.000	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH, 1OMe)	Dihydroflavonol	3,5,7,3'-Tetrahydroxy-8,4'-dimethoxyflavanone
0.000	[Dihydroflavonol]-A(1OH, 2OMe)-B(2OH)	Dihydroflavonol	Dihydrogossypetin 7,8-dimethyl ether
0.000	[Isoflavan]-A(2OH, 1OMe)-B(1OH, 2OMe)	Isoflavan	Machaerol C
0.000	[Flavan 3-ol]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavan 3-ol	Gallocatechin 7,3',5'-trimethyl ether
0.000	[Flavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	6'',6''-Dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone
0.000	[Flavone]-A(2OMe, 1(3-Methylbutadienyl))-B(none)	Flavone	trans-Anhydrotephrostachin
0.000	[Dihydroflavonol]-A(2OH, 2Methyl)-B(3OH)	Dihydroflavonol	3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone
0.000	[4-substituted Flavan 3-ol (4-Carboxymethyl)]-A(2OH)-B(2OH)	4-substituted Flavan 3-ol	Dryopteric acid
0.000	[Isoflavone]-A(1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Calopogoniumisoflavone B
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OH, 1(C-Prenyl))	Pterocarpan	Erybraedin E

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	FS2	FS3	共有数
9241	84.15	641.44210	0.0000	2.17	[M+2(CH3OH)-3(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		0.133	1
	84.14	623.43251	-18.0096	0.76	[M+2(CH3OH)-4(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				2

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MSnスペクトル情報

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