ピーク情報

ポプラ, 幼植物, 地上部

pos

Peak #7521 MN MID: SE205_S08_M90

m/z: 599.19127, RT: 66.47, 強度: 6465, ログ強度: 0.21, アダクト: [M+K]+, [M-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: (24 names) Domesticulide C;(-)-Domesticulide C;;Lancifodilactone E;(+)-Lancifodilactone E;1-O-Acetylkhayanolide B;Youngiajaponicoside A;(+)-Youngiajaponicoside A;Crepidialanceoside B;(-)-Crepidialanceoside B;19-...

DBごとのヒット数: ALL 16 KG 1 KN 15

FlavonoidSearch最大スコア MS2: -, MS3: 0.087

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
C29H36O11	560.22576	4.198	Domesticulide C	KNApSAcK: C00035081
C29H36O11	560.22576	4.198		KNApSAcK: C00048258
C29H36O11	560.22576	4.198	Lancifodilactone E	KNApSAcK: C00041616, C00041620
C29H36O11	560.22576	4.198	1-O-Acetylkhayanolide B	KNApSAcK: C00045530
C29H36O11	560.22576	4.198	Youngiajaponicoside A	KNApSAcK: C00034346
C29H36O11	560.22576	4.198	Crepidialanceoside B	KNApSAcK: C00033731
C29H36O11	560.22576	4.198	19-Hydroxy-10-deacetylbaccatin III	KNApSAcK: C00042057
C29H36O11	560.22576	4.198	14beta-Hydroxy-10-deacetylbaccatin III	KNApSAcK: C00040769
C29H36O11	560.22576	4.198	Crepidiaside D	KNApSAcK: C00020533
C29H36O11	560.22576	4.198	Prenantheside B	KNApSAcK: C00034169
C29H36O11	560.22576	4.198	Labriformidin	KEGG: C08870 KNApSAcK: C00003626
C29H36O11	560.22576	4.198	Lactuside D	KNApSAcK: C00034020
C29H36O11	560.22576	4.198	Domesticulide D	KNApSAcK: C00035082
C29H36O11	560.22576	4.198	Jatamanvaltrate I	KNApSAcK: C00047472
C29H36O11	560.22576	4.198	Ixerin I	KNApSAcK: C00033965
C29H36O11	560.22576	4.198	Lanceocrepidiaside B	KNApSAcK: C00034022

MSnスペクトル情報

Level: 2, プリカーサーm/z: 599.19202

Splash: splash10-014i-0000900000-390998b374db7cff76b0

m/z	Int.	NL	Rel.Int.
419.11	3735	180	1000
437.21	1338	162	358

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroperoxy-1,7-bis-(4-hydroxyphenyl)-hept-2-enyl))-B(1OH)	2'-Hydroxychalcone	Calyxin A
0.000	[Dihydrochalcone]-A(3OH, 2(C-Glu))-B(1OH)	Dihydrochalcone	Phloretin 3',5'-Di-C-glucoside

Level: 3, プリカーサーm/z: 419.10962

Splash: splash10-0a4i-0290000000-2b0b0cc11c7e2a78979d

m/z	Int.	NL	Rel.Int.
257.03	1502	162	1000
121.00	573	298	381
255.04	522	164	347
297.22	144	122	96
162.83	118	256	78

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Gangetinin
[Flavone]-A(1OH, 2OMe)-B(4OMe)	Flavone	Agecorynin F
[Flavone]-A(3OMe)-B(1OH, 3OMe)	Flavone	Agecorynin G
[Flavone]-A(4OMe)-B(1OH, 2OMe)	Flavone	4'-Hydroxy-5,6,7,8,3',5'-hexamethoxyflavone
[Flavone]-A(4OMe)-B(1OH, 2OMe)	Flavone	3'-Hydroxy-5,6,7,8,4',5'-hexamethoxyflavone
[Flavone]-A(1OH, 3OMe)-B(3OMe)	Flavone	8-Hydroxy-5,6,7,3',4',5'-hexamethoxyflavone
[Flavone]-A(1OH, 3OMe)-B(3OMe)	Flavone	Gardenin A
[Flavone]-A(1OH, 3OMe)-B(3OMe)	Flavone	Agehoustin E
[Flavonol]-A(4OMe)-B(2OMe)	Flavonol	Natsudaidain
[2'-Hydroxychalcone]-A(2OH, 1(C-Glu))-B(1OH)	2'-Hydroxychalcone	3'-C-Glucosylisoliquiritigenin
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(2OH)	2'-Hydroxychalcone	8-Caffeoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(4OMe)	2'-Hydroxychalcone	6'-Hydroxy-2,3,4,5,2'-pentamethoxy-3',4'-methylenedioxychalcone
[Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OMe)	Dihydrochalcone	Calomelanol A
[Flavanone]-A(1OH, 1(C-Galactosyl))-B(1OH)	Flavanone	8-C-beta-D-Galactosylliquiritigenin
[Flavanone]-A(4OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavanone	Agecorynin B
[Flavone]-A(2OH, 1(C-Xylosyl))-B(2OH)	Flavone	6-C-Xylosylluteolin
[Flavone]-A(2OH, 1(C-Arabinosyl))-B(2OH)	Flavone	8-C-alpha-L-Arabinosylluteolin
[Flavone]-A(2OH, 1(C-Arabinosyl))-B(2OH)	Flavone	6-C-alpha-L-Arabinosylluteolin
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cyclomorusin
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Isocyclomorusin
[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(4OMe)	Flavonol	5-Hydroxy-3,7,2',3',4',6'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(3OMe)-B(1OH, 2OMe)	Flavonol	4'-Hydroxy-3,5,6,7,3',5'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,6,7,3',4',5'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,6,7,2',4',5'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe)	Flavonol	8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(3OMe)	Flavonol	5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe)	Flavonol	Grantioidinin
[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe)	Flavonol	7-Hydroxy-3,5,6,8,3',4'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe)	Flavonol	5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone
[Flavonol (3-OMe)]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 2OMe)	Flavonol	5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone
[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OMe)	Flavonol	5-Hydroxy-3,6,7,8,2',4'-hexamethoxyflavone
[CCS-type derivative / [2,3a,4:5,4,3]-(8,9-Dihydroxy-1,5-dioxa-6-oxophenaleno)anthocyanidin]-A(1OH)-B(2OH)	CCS-type derivative / [2,3a,4:5,4,3]-(8,9-Dihydroxy-1,5-dioxa-6-oxophenaleno)anthocyanidin	Rosacyanin B
[Isoflavone]-A(1OH, 1([2,3:@@]-(6-Hydroxymethyl-6-methylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexone D
[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexin C
[Isoflavone]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Scandinone
[Pterocarpan]-A(1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Nitiducarpin
[Coumaranochromon]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Coumaranochromon	Millettin

Level: 3, プリカーサーm/z: 437.21082

Splash: splash10-066r-0020900000-a97f61094693d9d78f4c

m/z	Int.	NL	Rel.Int.
419.21	538	18	1000
257.01	196	180	364
407.20	111	30	207

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.087	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavone	2'-Methoxylupalbigenin
0.087	[Isoflavone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe)	Isoflavone	6,8-Diprenylpratensein
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	2'-Hydroxychalcone	Orotinichalcone
0.000	[Dihydrochalcone]-A(3OH, 1(C-Glu))-B(1OH)	Dihydrochalcone	Nothofagin
0.000	[Dihydrochalcone alpha-ol]-A(2OH, 1(C-Glu))-B(1OH)	Dihydrochalcone alpha-ol	Coatline A
0.000	[Dihydrochalcone beta-ol]-A(2OH, 1(C-Glu))-B(1OH)	Dihydrochalcone beta-ol	Pterosupin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OMe, 1(C-Prenyl))	Flavanone	Lespedezaflavanone G
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OMe, 1(C-Prenyl))	Flavanone	Lespedezaflavanone F
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavanone	3'-Methoxylupinifolin
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavanone	Fleminone
0.000	[Flavanone]-A(1OH, 2OMe, 1(2,5-Dihydroxybenzyl))-B(none)	Flavanone	Macrophyllol A (flavone)
0.000	[Flavone]-A(2OH, 1Geranyl)-B(1OH, 1OMe)	Flavone	Cannflavin A
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH)	3-substituted Flavone	Artocarpin
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH, 1(C-Prenyl))	Flavone	Artobilichromene
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH)	3-substituted Flavone	Artonin E
0.000	[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(2OH)-B(2OH, 1(C-Prenyl))	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Artonin J
0.000	[Dihydroflavonol (3-OMe)]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Dihydroflavonol	3-Methoxyminimiflorin
0.000	[Dihydroflavonol (3-OMe)]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Dihydroflavonol	3-O-methyllupinifolinol
0.000	[Dihydroflavonol]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Dihydroflavonol	3,4'-Dihydroxy-5-methoxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
0.000	[CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone	Sanggenon A
0.000	[CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [3,2']-Epoxy-2-hydroxy-3-prenylflavanone	Sanggenon M
0.000	[Flavonol]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavonol	Broussonol B
0.000	[Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavonol	Broussonol A
0.000	[Flavonol]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	Flavonol	Petalopurpurenol
0.000	[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(2OH)	Flavan 3-ol	9,10-Dihydro-10-(4-hydroxyphenyl)-pyrano[2,3-h]catechin-8-one
0.000	[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Cinnamoyl))	Flavan 3-ol	Gallocatechin 3-O-cinnamate
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 4-ol]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	CCS-type derivative / [4,2']-Epoxyflavan 4-ol	4,6'-Epoxyorotiniflavan-4-ol
0.000	[Isoflavone]-A(2([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH, 1OMe)	Isoflavone	1'',2''-Dihydro-O-methylcyclopomiferin
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Lupinisoflavone K
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone L
0.000	[Isoflavone]-A(2([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH, 1OMe)	Isoflavone	1'',2''-Dihydro-2'-hydroxycycloosajin
0.000	[Isoflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavanone	2'-O-Methylcajanone
0.000	[Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Coumaranochromon	Euchretin B
0.000	[alpha-Phenyldihydrocoumarinic acid]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none)	alpha-Phenyldihydrocoumarinic acid	Chapelieric acid methyl ester