ピーク情報

リーフレタスグリーン

pos

Peak #6396 MN MID: SE198_S12_M90

m/z: 425.18163, RT: 42.90, 強度: 120404, ログ強度: 1.58, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

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: 0.083, MS3: -

安定同位体ラベル実験で見積もられた原子数:

N: 0

S: 0

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	2.403	Crepidiaside B	HMDB: HMDB0302022 KNApSAcK: C00020808
C21H28O9	424.17333	2.403	Ainsliaside B	HMDB: HMDB0035249 KNApSAcK: C00012172, C00037887
C21H28O9	424.17333	2.403	Anthemolide F	KNApSAcK: C00033650
C21H28O9	424.17333	2.403	(-)-Ixerin B	KNApSAcK: C00012216
C21H28O9	424.17333	2.403	[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	2.403	8-Acetylneosolaniol	HMDB: HMDB0247414 KNApSAcK: C00012614
C21H28O9	424.17333	2.403	Chloranoside A	KNApSAcK: C00038744
C21H28O9	424.17333	2.403	Lactuside C	KNApSAcK: C00034019, C00034082
C21H28O9	424.17333	2.403	8-O-Isobutyryl-9-O-acetylanthemolide B	KNApSAcK: C00033603
C21H28O9	424.17333	2.403	[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	2.403	Crepiside E	KNApSAcK: C00020507
C21H28O9	424.17333	2.403	Diaspanoside A	KNApSAcK: C00020763, C00021003
C21H28O9	424.17333	2.403	Youngiaside A	KNApSAcK: C00034349
C21H28O9	424.17333	2.403	Confertolide	KNApSAcK: C00012156
C21H28O9	424.17333	2.403	Ixerin Y	KNApSAcK: C00033977
C21H28O9	424.17333	2.403	Hypochoeroside I	KNApSAcK: C00033946
C21H28O9	424.17333	2.403	(-)-3'-Methoxy specinonin	KNApSAcK: C00029275, C00031041, C00031042
C21H28O9	424.17333	2.403	Grandidentatin	KEGG: C10463 KNApSAcK: C00002749
C21H28O9	424.17333	2.403	Ainslioside	KNApSAcK: C00012173
C21H28O9	424.17333	2.403	Ixerinoside	KNApSAcK: C00033979
C21H28O9	424.17333	2.403	Crepiside C	KNApSAcK: C00020446, C00020447
C21H28O9	424.17333	2.403	Plagiochilin G	KNApSAcK: C00021265

MSnスペクトル情報

Level: 2, プリカーサーm/z: 425.18060

Splash: splash10-03di-0090000000-165dae582606c66c5420

m/z	Int.	NL	Rel.Int.
263.09	79302	162	1000

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.083	[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: 263.09073

Splash: splash10-0002-0090000000-d8dfc301d9157844c9e5

m/z	Int.	NL	Rel.Int.
245.12	14874	18	1000
217.14	2706	46	181
199.05	946	64	63
227.06	747	36	50