ピーク情報

ポプラ, 幼植物, 地上部

pos

Peak #5305 MN MID: SE205_S08_M90

m/z: 425.18082, RT: 51.63, 強度: 293224, ログ強度: 1.87, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (27 names) Crepidiaside B;Ainsliaside B;Anthemolide F;(+)-Anthemolide F;(-)-Ixerin B;Ixerin B;[4R-(4R*,5S*,6S*,7S*,10R*,11E)]- 3-[(Acetyloxy)methyl]-5,6,7,8,9,10-hexahydro-6,7-dihydroxy-5,6,10-trimethyl-4-(1-oxo...

DBごとのヒット数: ALL 22 KG 1 KN 21

FlavonoidSearch最大スコア MS2: 0.050, MS3: 0.056

DB検索結果

ppm

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
C21H28O9	424.17333	0.490	Crepidiaside B	HMDB: HMDB0302022 KNApSAcK: C00020808
C21H28O9	424.17333	0.490	Ainsliaside B	HMDB: HMDB0035249 KNApSAcK: C00012172, C00037887
C21H28O9	424.17333	0.490	Anthemolide F	KNApSAcK: C00033650
C21H28O9	424.17333	0.490	(-)-Ixerin B	KNApSAcK: C00012216
C21H28O9	424.17333	0.490	[4R-(4R,5S,6S,7S,10R*,11E)]- 3-[(Acetyloxy)methyl]-5,6,7,8,9,10-hexahydro-6,7-dihydroxy-5,6,10-trimethyl-4-(1-oxopropoxy)-7,10-epoxycyclodeca[b]furan-2(4H)-one	KNApSAcK: C00012131
C21H28O9	424.17333	0.490	8-Acetylneosolaniol	HMDB: HMDB0247414 KNApSAcK: C00012614
C21H28O9	424.17333	0.490	Chloranoside A	KNApSAcK: C00038744
C21H28O9	424.17333	0.490	Lactuside C	KNApSAcK: C00034019, C00034082
C21H28O9	424.17333	0.490	8-O-Isobutyryl-9-O-acetylanthemolide B	KNApSAcK: C00033603
C21H28O9	424.17333	0.490	[3aR-(3aR,5E,9Z,11aR)]- 2,3,3a,4,7,8,11,11a-Octahydro-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid	KNApSAcK: C00012385
C21H28O9	424.17333	0.490	Crepiside E	KNApSAcK: C00020507
C21H28O9	424.17333	0.490	Diaspanoside A	KNApSAcK: C00020763, C00021003
C21H28O9	424.17333	0.490	Youngiaside A	KNApSAcK: C00034349
C21H28O9	424.17333	0.490	Confertolide	KNApSAcK: C00012156
C21H28O9	424.17333	0.490	Ixerin Y	KNApSAcK: C00033977
C21H28O9	424.17333	0.490	Hypochoeroside I	KNApSAcK: C00033946
C21H28O9	424.17333	0.490	(-)-3'-Methoxy specinonin	KNApSAcK: C00029275, C00031041, C00031042
C21H28O9	424.17333	0.490	Grandidentatin	KEGG: C10463 KNApSAcK: C00002749
C21H28O9	424.17333	0.490	Ainslioside	KNApSAcK: C00012173
C21H28O9	424.17333	0.490	Ixerinoside	KNApSAcK: C00033979
C21H28O9	424.17333	0.490	Crepiside C	KNApSAcK: C00020446, C00020447
C21H28O9	424.17333	0.490	Plagiochilin G	KNApSAcK: C00021265

MSnスペクトル情報

Level: 2, プリカーサーm/z: 425.18045

Splash: splash10-08fs-0319000000-6fd2634b4a8f1da2067f

m/z	Int.	NL	Rel.Int.
310.02	1787	115	1000
309.21	1233	116	689
146.93	789	278	441
147.99	505	277	282
308.45	364	117	203
264.13	362	161	202
408.18	228	17	127
164.96	208	260	116
263.03	181	162	101

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.050	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Dihydroflavonol	Lespedezaflavanone C
0.000	[Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH)	Flavanone	Monotesone B
0.000	[Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH)	Flavanone	6,8-Diprenyleriodictyol
0.000	[Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH)	Flavanone	Kushenol E
0.000	[Flavanone]-A(2OH)-B(2OH, 2(C-Prenyl))	Flavanone	Sigmoidin A
0.000	[Flavanone]-A(2OH)-B(2OH, 2(C-Prenyl))	Flavanone	Abyssinin III
0.000	[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavanone	3'-Dimethylallylkievitone
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavanone	Gancaonin E
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavanone	5,7,3',4'-Tetrahydroxy-6,5'-di-C-prenylflavanone
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavanone	Lespedezaflavanone D
0.000	[Dihydroflavonol]-A(2OH, 2(C-Prenyl))-B(1OH)	Dihydroflavonol	6,8-diprenylaromadendrin
0.000	[Flavone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Flavone	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
0.000	[2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	2'-Hydroxychalcone	Angusticornin B
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(4-Hydroxy-5-(hydroxyisopropanyl)dihydrofurano)))	2'-Hydroxychalcone	Paratocarpin G
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none)	2'-Hydroxychalcone	Tephropurpurin
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	beta-Hydroxy(or Oxodihydro)chalcone	Glyinflanin E
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1(C-Prenyl))	beta-Hydroxy(or Oxodihydro)chalcone	Glyinflanin F
0.000	[Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(4-Ispropyl-7-methyl-7-hydroxy-3a,4,5,6,7,7a-hexahydrobenzofurano)))-B(none)	Dihydrochalcone	Adunctin E
0.000	[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(2OH, 1OMe, 2(C-Prenyl))-B(none)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone	Helihumulone
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(2OH)	Flavanone	Exiguaflavanone A
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(2OH)	Flavanone	Exiguaflavanone L
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	Flavanone	Lupiniol A1
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	Flavanone	Lupiniol B
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(3-Methyl-2,3-epoxybutyl))	Flavanone	Flemiflavanone D
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Flavanone	Lonchocarpol C
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Flavanone	Lonchocarpol D
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(2OH)	Flavanone	Diplacone
0.000	[Flavanone]-A(2OH)-B(2OH, 1Geranyl)	Flavanone	Propolin D
0.000	[Flavanone]-A(2OH)-B(2OH, 1Geranyl)	Flavanone	Isonymphaeol B
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH)	Flavanone	Dorsmanin J
0.000	[Flavanone]-A(2([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH)	Flavanone	Dorsmanin E
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1,1-Dimethylallyl))	Flavanone	2',4'-Dihydroxy-5'-(1'',1''-dimethylallyl)-6-C-prenylpinocembrin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1,1-Dimethylallyl))	Flavanone	5,7,2',4'-Tetrahydroxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone
0.000	[Flavanone]-A(2OH)-B(2OH, 1Geranyl)	Flavanone	Sanggenol A
0.000	[Flavanone]-A(2OH)-B(2OH, 1Geranyl)	Flavanone	5'-Geranylsteppogenin
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(2OH)	Flavanone	Sophoraflavanone C
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(2OH)	Flavanone	Kushenol F
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(2OH)	Flavanone	Sophoraflavanone G
0.000	[Flavanone]-A(2OH, 1(2-Isopropenyl-5-methyl-5-hexenyl))-B(2OH)	Flavanone	Remangiflavanone B
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(2OH)	Flavanone	Leachianone F
0.000	[Dihydroflavonol]-A(2OH, 1Geranyl)-B(1OH)	Dihydroflavonol	Bonanniol A
0.000	[Dihydroflavonol]-A(2OH)-B(1OH, 1(5-Carboxy-2-hydroxyphenyl))	Dihydroflavonol	Hypnum acid
0.000	[Flavonol (3-OMe)]-A(1OMe, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe)	Flavonol	8-C-Methylvelloquercetin 3,5,3'-trimethyl ether
0.000	[Flavan 3-ol]-A(1OH)-B(2OH)	Flavan 3-ol	6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
0.000	[Isoflavanone]-A(2OH, 1Geranyl)-B(2OH)	Isoflavanone	6-Geranyldalbergioidin
0.000	[Isoflavan]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavan	Licoricidin
0.000	[Rotenone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Rotenone	Erythynone
0.000	[12a-Hydroxyrotenone (3-OMe)]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	12a-Hydroxyrotenone	12a-Methoxyrotenone
0.000	[6-Hydroxydehydrorotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	6-Hydroxydehydrorotenone	6-Hydroxy-6a,12a-dehydro-alpha-toxicarol

Level: 3, プリカーサーm/z: 308.96249

Splash: splash10-0002-0910000000-c6199e385691cca0bd7a

m/z	Int.	NL	Rel.Int.
146.93	689	162	1000
291.13	93	18	135

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.056	[Flavanone]-A(1OH, 1(C-Prenyl))-B(none)	Flavanone	Ovaliflavanone B
0.056	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Isocordoin
0.000	[2'-Hydroxychalcone]-A(2OH, 1(1,1-Dimethylallyl))-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-3'-(1,1-Dimethylallyl)chalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	O-Methylpongamol
0.000	[Flavanone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Flavanone	3',4'-Methylenedioxy-[2'',3'':7,8]furanoflavanone
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(1OH)	Flavone	3'-Hydroxy-6-methoxyfurano[2'',3'':7,8]flavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Flavonol	3-Hydroxy-6-methoxyfurano[2'',3'':7,8]flavone
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neodulin

Level: 3, プリカーサーm/z: 309.94839

Splash: splash10-0002-0910000000-3ec858ceeacee6c08747

m/z	Int.	NL	Rel.Int.
148.01	180	162	1000
146.99	163	163	909
292.14	25	18	140
291.49	22	18	121
166.09	9	144	50