ピーク情報

＜アルコール飲料類＞（醸造酒類）ビール淡色

pos

Peak #1991 MN MID: SE169_S160061_M90

m/z: 409.18707, RT: 33.19, 強度: 35150, ログ強度: 0.92, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 157

DB検索結果: (24 names) Vernoflexuoside;Acetylhymenograndin;Glaucolide L;(-)-Glaucolide L;Scabiolide;Macrocliniside C;Eurycolactone F;Gracilin K;(+)-Gracilin K;Plagiochilin B;3-O-Methylniveusin A;Sarcaglaboside B;Spicatolide...

DBごとのヒット数: ALL 18 KG 1 KN 16 HM 1

FlavonoidSearch最大スコア MS2: 0.100, MS3: -

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
C21H28O8	408.17842	3.368	Vernoflexuoside	KEGG: C09579 KNApSAcK: C00003387
C21H28O8	408.17842	3.368	Acetylhymenograndin	KNApSAcK: C00021166
C21H28O8	408.17842	3.368	Glaucolide L	KNApSAcK: C00042558
C21H28O8	408.17842	3.368	Scabiolide	KNApSAcK: C00012340
C21H28O8	408.17842	3.368	Macrocliniside C	KNApSAcK: C00020939
C21H28O8	408.17842	3.368	Eurycolactone F	KNApSAcK: C00037131
C21H28O8	408.17842	3.368	Gracilin K	KNApSAcK: C00047906
C21H28O8	408.17842	3.368	Plagiochilin B	KNApSAcK: C00021269
C21H28O8	408.17842	3.368	3-O-Methylniveusin A	HMDB: HMDB0039084
C21H28O8	408.17842	3.368	Sarcaglaboside B	KNApSAcK: C00040214
C21H28O8	408.17842	3.368	Spicatolide E	KNApSAcK: C00040343
C21H28O8	408.17842	3.368	Piptocarphin F	KNApSAcK: C00012126
C21H28O8	408.17842	3.368	Lobatin D	KNApSAcK: C00049580
C21H28O8	408.17842	3.368	Neurolenin G	KNApSAcK: C00049590
C21H28O8	408.17842	3.368	Ixerin W	KNApSAcK: C00033976
C21H28O8	408.17842	3.368	Woodhousin	KNApSAcK: C00012141
C21H28O8	408.17842	3.368	Diaspanoside B	KNApSAcK: C00020764, C00020803
C21H28O8	408.17842	3.368	(+)-Lychnostatin 1	KNApSAcK: C00012319

MSnスペクトル情報

Level: 2, プリカーサーm/z: 409.18671

Splash: splash10-0a4i-0390000000-f94b2680114bb8bd836c

m/z	Int.	NL	Rel.Int.
205.01	11853	204	1000
188.02	4893	221	412

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.100	[Dihydroflavonol]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Dihydroflavonol	3-Hydroxyglabrol
0.000	[Flavanone]-A(2OH)-B(1OH, 2(C-Prenyl))	Flavanone	Abyssinone V
0.000	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH)	Flavanone	6,8-Diprenylnaringenin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Flavanone	Euchrestaflavanone A
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Flavanone	Macarangaflavanone B
0.000	[2'-Hydroxychalcone]-A(2OH, 1(3,7-Dimethyl-6-hydroxyocta-2,7-dienyl))-B(1OH)	2'-Hydroxychalcone	Xanthoangelol B
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	2'-Hydroxychalcone	Paratocarpin D
0.000	[2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Paratocarpin E
0.000	[2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Bartericin A
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	2'-Hydroxychalcone	Bartericin D
0.000	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))	2'-Hydroxychalcone	Anthyllin
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	2'-Hydroxychalcone	Bartericin C
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Bartericin B
0.000	[2'-Hydroxychalcone]-A(2OH, 1Geranyl)-B(2OH)	2'-Hydroxychalcone	3'-Geranyl-3,4,2',4'-tetrahydroxychalcone
0.000	[2'-Hydroxychalcone]-A(2OH)-B(2OH, 1Geranyl)	2'-Hydroxychalcone	Kuwanol D
0.000	[2'-Hydroxychalcone]-A(2OH, 1Lavandulyl)-B(2OH)	2'-Hydroxychalcone	Ammothamnidin
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Cedrediprenone
0.000	[2'-Hydroxychalcone]-A(3OH, 1Geranyl)-B(1OH)	2'-Hydroxychalcone	3'-Geranylchalconaringenin
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	beta-Hydroxy(or Oxodihydro)chalcone	Glyinflanin A
0.000	[Dihydrochalcone]-A(2OH)-B(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))	Dihydrochalcone	4,2',4'-Trihydroxy-6''-methyl-6''-(4-methyl-3-pentenyl)pyrano[2'',3'':3,2]dihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	Dihydrochalcone	Methyllinderatin
0.000	[Flavanone]-A(1OH, 1Lavandulyl)-B(2OH)	Flavanone	Lehmannin
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(1OH)	Flavanone	Kushenol A
0.000	[Flavanone]-A(2OH, 1(2-Isopropenyl-5-methyl-5-hexenyl))-B(1OH)	Flavanone	Remangiflavanone A
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(1OH)	Flavanone	Bonannione A
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(1OH)	Flavanone	Sophoraflavanone A
0.000	[Flavanone]-A(2OH)-B(1OH, 1Geranyl)	Flavanone	Macarangaflavanone A
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(1OH)	Flavanone	Leachianone E
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	Flavanone	Paratocarpin J
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	Flavanone	Euchrenone a16
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(4-Methyl-5-hydoxy-3a,6a-dihydro-6-oxocyclopenta[b]furano)))-B(1OH, 1OMe)	Flavone	Torosaflavone C
0.000	[Dihydroflavonol]-A(2OH, 1Geranyl)-B(none)	Dihydroflavonol	6-Geranylpinobanksin
0.000	[Dihydroflavonol]-A(2OH)-B(1OH, 1(5-Formyl-2-hydroxyphenyl))	Dihydroflavonol	3'-(5''-formyl-2''-hydroxyphenyl)aromadendrin
0.000	[Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavonol	3,6-Dimethoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2,3:7,8]flavone
0.000	[Flavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH)	Flavonol	8-p-Hydroxybenzylquercetin
0.000	[Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ferrugone
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ichthynone
0.000	[Isoflavone]-A(2OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	5-Methoxydurmillone
0.000	[Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Pterocarpan-6a-ol	2-Prenyl-6a-hydroxyphaseollidin
0.000	[Dehydrorotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe)	Dehydrorotenone	Dehydroamorphigenin
0.000	[Dehydrorotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	Dehydrorotenone	Villosol
0.000	[Dehydrorotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Dehydrorotenone	Dehydrotoxicarol
0.000	[6-Hydroxydehydrorotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	6-Hydroxydehydrorotenone	Amorpholone
0.000	[4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	4-Hydroxy-3-phenylcoumarin	Robustin methyl ether
0.000	[4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	4-Hydroxy-3-phenylcoumarin	Isorobustin 4-methyl ether
0.000	[4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1([@@]-Methylenedioxy))	4-Hydroxy-3-phenylcoumarin	Glabrescin
0.000	[4-Hydroxy-3-phenylcoumarin]-A(2OMe, 1([2,3:@@]-(5-Isopropenylfurano)))-B(1OMe)	4-Hydroxy-3-phenylcoumarin	Thonningine B
0.000	[4-phenylcoumarin]-A(1OH, 1Isobutyroyl, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(none)	4-phenylcoumarin	1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one
0.000	[4-phenylcoumarin]-A(1OH, 1Butyroyl, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(none)	4-phenylcoumarin	1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(butyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one

Level: 3, プリカーサーm/z: 205.01425

Splash: splash10-000i-0900000000-2940eeb0b9d99bfc7a80

m/z	Int.	NL	Rel.Int.
188.09	4877	17	1000

Level: 3, プリカーサーm/z: 188.02075

Splash: splash10-0002-0900000000-45d6ca5ba24caba271ed

m/z	Int.	NL	Rel.Int.
146.07	358	42	1000
143.98	62	44	172
169.81	23	18	63