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Peak #10836 MN MID: SE205_S02_M90

m/z: 531.40508, RT: 94.59, 強度: 85002, ログ強度: 1.41, アダクト: [M+CH3OH-2(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) 3-Acetyl-24-epi-polacandrin;(-)-3-Acetyl-24-epi-polacandrin;Concentricol D;Gorgostane-3beta,5alpha,6beta,11alpha,12beta-pentol 12-acetate

DBごとのヒット数: ALL 3 KN 2 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.091

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
C32H54O6	534.39204	1.273	3-Acetyl-24-epi-polacandrin	KNApSAcK: C00044439
C32H54O6	534.39204	1.273	Concentricol D	KNApSAcK: C00036926
C32H54O6	534.39204	1.273	Gorgostane-3beta,5alpha,6beta,11alpha,12beta-pentol 12-acetate	LipidMAPS: LMST01060029

MSnスペクトル情報

Level: 2, プリカーサーm/z: 531.40356

Splash: splash10-0a4i-0029100000-2590dca74c919405a8f6

m/z	Int.	NL	Rel.Int.
359.22	8382	172	1000
255.27	2444	276	291
427.29	1452	104	173

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydrochalcone]-A(3OH, 2(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	Dihydrochalcone	Neolinderatin
[Flavanone]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH, 1(2,4-dihydroxyphenyl))	Flavanone	Eriosemaone C
[Flavone]-A(1OH, 1OMe, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(1OH)	Flavone	Isoswertisin 2''-O-(2'''-methylbutyrate)
[Flavone]-A(1OH, 1OMe, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(1OH)	Flavone	Isoswertisin 3''-O-(2'''-methylbutyrate)

Level: 3, プリカーサーm/z: 359.21698

Splash: splash10-0a4i-0090000000-e252368cb4a9460f971e

m/z	Int.	NL	Rel.Int.
255.18	6031	104	1000

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.091	[Chalcone]-A(5OMe)-B(none)	Chalcone	Pedicellin
0.000	[Flavone]-A(1OH, 1OMe)-B(3OMe)	Flavone	Prosogerin D
0.000	[Flavone]-A(2OMe)-B(1OH, 2OMe)	Flavone	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(3OMe)	Flavone	Corymbosin
0.000	[Flavone]-A(1OH, 1OMe)-B(3OMe)	Flavone	Isoetin 7,2',4',5'-tetramethyl ether
0.000	[Flavone]-A(1OH, 2OMe)-B(2OMe)	Flavone	6-Hydroxyluteolin 5,6,3',4'-tetramethyl ether
0.000	[Flavone]-A(3OMe)-B(1OH, 1OMe)	Flavone	Ageconyflavone B
0.000	[Flavone]-A(3OMe)-B(1OH, 1OMe)	Flavone	6-Hydroxyluteolin 5,6,7,4'-tetramethyl ether
0.000	[Flavone]-A(1OH, 2OMe)-B(2OMe)	Flavone	6-Hydroxyluteolin 6,7,3',4'-tetramethyl ethe
0.000	[Flavone]-A(1OH, 2OMe)-B(2OMe)	Flavone	5-Hydroxy-2',3',7,8-tetramethoxyflavone
0.000	[Flavone]-A(1OH, 2OMe)-B(2OMe)	Flavone	5-Hydroxy-2',3',7,8-tetramethoxyflavone
0.000	[Flavone]-A(1OH, 2OMe)-B(2OMe)	Flavone	5-hydroxy-7,8,2',5'-tetramethoxyflavone
0.000	[Flavone]-A(1OH, 2OMe)-B(2OMe)	Flavone	Altisin
0.000	[Flavone]-A(1OH, 2OMe)-B(2OMe)	Flavone	Hypolaetin 7,8,3',4'-tetramethyl ether
0.000	[Flavone]-A(1OH, 2OMe)-B(2OMe)	Flavone	2-(2,4-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxyflavone
0.000	[Flavone]-A(4OMe)-B(1OH)	Flavone	4'-Hydroxy-5,6,7,8-tetramethoxyflavone
0.000	[Flavone]-A(1OH, 3OMe)-B(1OMe)	Flavone	7-Hydroxy-5,6,8,4'-tetramethoxyflavone
0.000	[Flavone]-A(1OH, 3OMe)-B(1OMe)	Flavone	Gardenin B
0.000	[Isoflavone]-A(1OH, 1OMe)-B(3OMe)	Isoflavone	7-Hydroxy-6,2',4',5'-tetramethoxyisoflavone
0.000	[Isoflavone]-A(1OH, 1OMe)-B(3OMe)	Isoflavone	Robustigenin
0.000	[Isoflavone]-A(1OH, 2OMe)-B(2OMe)	Isoflavone	Belamcandin
0.000	[Flavonol]-A(2OMe)-B(2OMe)	Flavonol	Quercetin 5,7,3',4'-tetramethyl ether
0.000	[Aurone]-A(2OH, 1Methyl)-B(3OMe)	Aurone	4,6-Dihydroxy-5-methyl-3',4',5'-trimethoxyaurone
0.000	[Aurone]-A(2OH, 1Methyl)-B(3OMe)	Aurone	4,6-Dihydroxy-7-methyl-3',4',5'-trimethoxyaurone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(3OMe)-B(1([@@]-Methylenedioxy))	beta-Hydroxy(or Oxodihydro)chalcone	Ponganone X
0.000	[Flavanone]-A(1OH, 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH)	Flavanone	Brosimacutin A
0.000	[Flavanone]-A(2OMe, 1Methyl)-B(2OMe)	Flavanone	2',4',5,7-Tetramethoxy-8-methylflavanone
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone]-A(1OH, 1OMe, 2Methyl)-B(1OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone	Scaberin
0.000	[Flavone]-A(2OH, 2Methyl)-B(1OH, 2OMe)	Flavone	5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-dimethylflavone
0.000	[Flavone]-A(2OH, 2OMe)-B(1([@@]-Methylenedioxy))	Flavone	Linderoflavone A
0.000	[UBR-type derivative / [3',6']-Benzoquinonyl-type Flavone]-A(1OH, 1OMe)-B(2OMe)	UBR-type derivative / [3',6']-Benzoquinonyl-type Flavone	5-Hydroxy-7,2',4'-trimethoxy-3',6'-diketoflavone
0.000	[Dihydroflavonol]-A(2OH)-B(1OH)-C(1(O-Isobutyroyl))	Dihydroflavonol	3,5,7,3'-Tetrahydroxyflavanone 3-O-Isobutyrate
0.000	[Flavonol (3-OMe)]-A(1OMe)-B(1OH, 2OMe)	Flavonol	4'-Hydroxy-3,7,3',5'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OMe)	Flavonol	Santoflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OMe)	Flavonol	Quercetin 3,5,3',4'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(1OH, 1OMe)	Flavonol	Quercetin 3,5,7,3'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(1OH, 1OMe)	Flavonol	Quercetin 3,5,7,4'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OMe)	Flavonol	Retusin(Ariocarpus)
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1OMe)	Flavonol	6-C-Methylquercetin 3,7,3'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1OMe)	Flavonol	5,4'-Dihydroxy-3,7,3'-trimethoxy-8-methylflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(2OH)	Flavonol	2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6,8-dimethyl-4H-1-benzopyran-4-one
0.000	[Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(1OH, 1OMe)	Flavonol	5,7,4'-Trihydroxy-3,3'-dimethoxy-6,8-dimethylflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OMe)	Flavonol	6-Hydroxykaempferol 3,5,7,4'-tetramethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OMe)	Flavonol	Penduletin 4'-methyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe, 1Methyl)-B(1OH)	Flavonol	8-C-Methyl-6-hydroxykaempferol 3,6,7-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Flavonol	5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone
0.000	[Flavonol]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Flavonol	3,3'-Dihydroxy-5,4'-dimethoxy-6,7-methylenedioxyflavone
0.000	[Flavonol]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Flavonol	3,7-Dihydroxy-5,6-dimethoxy-3',4'-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OMe)	Flavonol	5-Hydroxy-3,7,8,2'-tetramethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OMe)	Flavonol	Flindulatin
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe, 1Methyl)-B(1OH)	Flavonol	5-Hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-6-methyl-4H-1-benzopyran-4-one
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy))	Flavonol	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(none)	Flavonol	5-Hydroxy-3,6,7,8-tetramethoxyflavone
0.000	[CCS-type derivative / [3,2']-Formyloxidoflavone]-A(2OH, 1OMe)-B(2OH)	CCS-type derivative / [3,2']-Formyloxidoflavone	Distemonanthin
0.000	[Flavan 3-ol]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavan 3-ol	6-Prenylcatechin
0.000	[Flavan 3-ol]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavan 3-ol	8-Prenylcatechin
0.000	[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 2OMe)	Isoflavone	5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyisoflavone
0.000	[Isoflavone]-A(2OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Dalpalatin
0.000	[Isoflavanone]-A(1OH, 1(3-hydroxy-3-methylbutyl))-B(2OH)	Isoflavanone	7,2',4'-Trihydroxy-8-(3-hydroxy-3-methylbutyl)isoflavanone
0.000	[Rotenone]-A(1OH, 1OMe)-B(2OMe)	Rotenone	Sermundone
0.000	[12a-Hydroxyrotenone]-A(1OMe)-B(2OMe)	12a-Hydroxyrotenone	12a-Hydroxymunduserone
0.000	[4-phenylcoumarin]-A(1OH, 2OMe)-B(2OMe)	4-phenylcoumarin	8-Hydroxy-5,7,3',4'-tetramethoxy-4-phenylcoumarin
0.000	[4-phenylcoumarin]-A(3OMe)-B(1OH, 1OMe)	4-phenylcoumarin	3'-Hydroxy-5,7,8,4'-tetramethoxy-4-phenylcoumarin

Level: 3, プリカーサーm/z: 255.27405

Splash: splash10-06r2-0900000000-6899b23fbd2df9de9add

m/z	Int.	NL	Rel.Int.
161.09	215	94	1000
159.04	197	96	915
147.04	145	108	676
199.13	112	56	518
145.07	109	110	506
173.12	74	82	342
121.13	66	134	309
133.16	53	122	248
131.05	28	124	131
185.23	25	70	114
104.87	23	150	106
135.07	21	120	96
116.98	18	138	82
148.98	18	106	82
80.84	18	174	82
171.12	17	84	78
175.12	13	80	61
187.24	11	68	53

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.207	[Flavonol]-A(1OH)-B(none)	Flavonol	3,7-Dihydroxyflavone
0.115	[Flavone]-A(1OH)-B(1OH)	Flavone	7,2'-Dihydroxyflavone
0.115	[Flavone]-A(1OH)-B(1OH)	Flavone	7,4'-Dihydroxyflavone
0.115	[Flavone]-A(1OH)-B(1OH)	Flavone	5,2'-Dihydroxyflavone
0.115	[Flavone]-A(1OH)-B(1OH)	Flavone	8,2'-Dihydroxyflavone
0.115	[Flavone]-A(2OH)-B(none)	Flavone	Primetin
0.115	[Flavone]-A(2OH)-B(none)	Flavone	Chrysin
0.115	[Flavone]-A(none)-B(2OH)	Flavone	2',5'-Dihydroxyflavone
0.115	[Flavone]-A(none)-B(2OH)	Flavone	3',4'-Dihydroxyflavone
0.111	[Isoflavone]-A(1OH)-B(1OH)	Isoflavone	Daidzein
0.111	[Isoflavone]-A(1OH)-B(1OH)	Isoflavone	8,4'-Dihydroxyisoflavone
0.074	[Flavanone]-A(1OMe)-B(none)	Flavanone	7-Methoxyflavanone
0.071	[Isoflavone]-A(2OH)-B(none)	Isoflavone	5,7-Dihydroxyisoflavone
0.036	[Chalcone]-A(1OH, 1OMe)-B(none)	Chalcone	4'-Hydroxy-2'-methoxychalcone
0.000	[Aurone]-A(1OH)-B(1OH)	Aurone	Hispidol
0.000	[3-DehydroxyAnthocyanidin]-A(2OH)-B(1OH)	3-DehydroxyAnthocyanidin	Apigeninidin
0.000	[Pterocarpene]-A(1OH)-B(1OH)	Pterocarpene	Anhydroglycinol
0.000	[3-substituted 2-Phenylbenzofuran (3-Methyl)]-A(1OH, 1OMe)-B(none)	3-substituted 2-Phenylbenzofuran	Parvifuran
0.000	[4-phenylcoumarin]-A(2OH)-B(none)	4-phenylcoumarin	Nordalbergin
0.000	[4-phenylcoumarin]-A(2OH)-B(none)	4-phenylcoumarin	Serratin
0.000	[UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(none)	UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol	4-Methoxydalbergione
0.000	[Neoflavene]-A(1OH, 1OMe)-B(none)	Neoflavene	Dalbergichromene

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
	94.59	549.41581	18.0107	1.81	[M+CH3OH-H2O+H]+, [M+NH4]+, [M+IsoProp+H]+	(4 names) 3-Acetyl-24-epi-polacandrin; (-)-3-Acetyl-24-epi-polacandrin; Concentricol D; Gorgostane-3beta,5alpha,6beta,11alpha,12beta-pentol 12-acetate	ALL 3 KN 2 LM 1				1
10836	94.59	531.40508	0.0000	1.41	[M+CH3OH-2(H2O)+H]+	(4 names) 3-Acetyl-24-epi-polacandrin; (-)-3-Acetyl-24-epi-polacandrin; Concentricol D; Gorgostane-3beta,5alpha,6beta,11alpha,12beta-pentol 12-acetate	ALL 3 KN 2 LM 1	MS2 MS3 x 2		0.091	1

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

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