ピーク情報

イヌカタヒバ

pos

Peak #8721 MN MID: SE205_S02_M90

m/z: 517.35247, RT: 77.77, 強度: 21893, ログ強度: 0.82, アダクト: [M-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: (5 names) DG(PGJ2/8:0/0:0);Agosterol F;Agosterol C2;DG(8:0/0:0/PGJ2);DG(8:0/PGJ2/0:0)

DBごとのヒット数: ALL 5 KN 2 HM 3

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
C31H50O7	534.35565	0.191	DG(PGJ2/8:0/0:0)	HMDB: HMDB0297128
C31H50O7	534.35565	0.191	Agosterol F	KNApSAcK: C00029656
C31H50O7	534.35565	0.191	Agosterol C2	KNApSAcK: C00029651
C31H50O7	534.35565	0.191	DG(8:0/0:0/PGJ2)	HMDB: HMDB0297129, HMDB0297130
C31H50O7	534.35565	0.191	DG(8:0/PGJ2/0:0)	HMDB: HMDB0297127

MSnスペクトル情報

Level: 2, プリカーサーm/z: 517.35248

Splash: splash10-0a4i-0019000000-a511873c9430f75e4444

m/z	Int.	NL	Rel.Int.
359.26	11372	158	1000
255.19	1954	262	171
499.27	654	18	57

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Feruloyl)-(Z)-4-hydroxyprenyl))-B(1OH)	2'-Hydroxychalcone	Gemichalcone A
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl))-B(none)	2'-Hydroxychalcone	Rottlerin
[Flavone]-A(2OH, 1(1(O-<2-Methylbutyroyl>)-C-Glu))-B(1OH)	Flavone	Vitexin 2''-O-(2'''-methylbutyryl)
[Flavone]-A(2OH, 1(2(O-Acetyl)-C-Glu))-B(1OH)	Flavone	2'',6''-Di-O-Acetylisovitexin
[Dihydroflavonol]-A(2OH, 2(p-Hydroxybenzyl) )-B(2OH)	Dihydroflavonol	Gericudranin A

Level: 3, プリカーサーm/z: 359.24829

Splash: splash10-0a4i-0090000000-fe076ab9128446142fef

m/z	Int.	NL	Rel.Int.
255.24	5909	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: 255.20084

Splash: splash10-052b-0900000000-626e4eeb7f3b8837a0a9

m/z	Int.	NL	Rel.Int.
159.05	198	96	1000
146.98	139	108	701
145.03	135	110	681
173.08	132	82	665
161.20	76	94	383
227.28	50	28	250
134.94	46	120	232
131.10	45	124	226
199.14	28	56	139
213.20	21	42	105
118.93	19	136	97
136.87	19	118	94
109.03	18	146	92
133.01	18	122	89
121.25	16	134	82
106.90	14	148	70
92.80	13	162	63
187.25	12	68	60

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.167	[Flavonol]-A(1OH)-B(none)	Flavonol	3,7-Dihydroxyflavone
0.160	[Flavone]-A(1OH)-B(1OH)	Flavone	7,2'-Dihydroxyflavone
0.160	[Flavone]-A(1OH)-B(1OH)	Flavone	7,4'-Dihydroxyflavone
0.160	[Flavone]-A(1OH)-B(1OH)	Flavone	5,2'-Dihydroxyflavone
0.160	[Flavone]-A(1OH)-B(1OH)	Flavone	8,2'-Dihydroxyflavone
0.160	[Flavone]-A(none)-B(2OH)	Flavone	2',5'-Dihydroxyflavone
0.160	[Flavone]-A(none)-B(2OH)	Flavone	3',4'-Dihydroxyflavone
0.154	[Isoflavone]-A(1OH)-B(1OH)	Isoflavone	Daidzein
0.154	[Isoflavone]-A(1OH)-B(1OH)	Isoflavone	8,4'-Dihydroxyisoflavone
0.115	[Flavone]-A(2OH)-B(none)	Flavone	Primetin
0.115	[Flavone]-A(2OH)-B(none)	Flavone	Chrysin
0.115	[Chalcone]-A(1OH, 1OMe)-B(none)	Chalcone	4'-Hydroxy-2'-methoxychalcone
0.074	[Flavanone]-A(1OMe)-B(none)	Flavanone	7-Methoxyflavanone
0.071	[Isoflavone]-A(2OH)-B(none)	Isoflavone	5,7-Dihydroxyisoflavone
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
	77.79	535.36300	18.0105	1.36	[M+H]+	(5 names) DG(PGJ2/8:0/0:0); Agosterol F; Agosterol C2; DG(8:0/0:0/PGJ2); DG(8:0/PGJ2/0:0)	ALL 5 KN 2 HM 3				3
8721	77.77	517.35247	0.0000	0.82	[M-H2O+H]+	(5 names) DG(PGJ2/8:0/0:0); Agosterol F; Agosterol C2; DG(8:0/0:0/PGJ2); DG(8:0/PGJ2/0:0)	ALL 5 KN 2 HM 3	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

関連ピーク情報