ピーク情報

（かんきつ類）レモン全果生

pos

Peak #6797 MN MID: SE123_S071551_M90

m/z: 411.11313, RT: 61.00, 強度: 4343, ログ強度: 0.10, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (2 names) Bms-707035;Spirodiclofen

DBごとのヒット数: ALL 2 KG 1 HM 1

FlavonoidSearch最大スコア MS2: 0.045, MS3: 0.238

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
C17H19O5N4SF	410.10602	-0.411	Bms-707035	HMDB: HMDB0249320
C21H24O4Cl2	410.10517	1.670	Spirodiclofen	KEGG: C18553

MSnスペクトル情報

Level: 2, プリカーサーm/z: 411.11273

Splash: splash10-0006-0009000000-a2e1ca62b74a3a4fe6ea

m/z	Int.	NL	Rel.Int.
393.08	757	18	1000
375.16	90	36	119

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.045	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe)	Isoflavone	Toxicarolisoflavone
0.038	[Isoflavone]-A(1OMe, 1(C-Prenyl))-B(3OMe)	Isoflavone	Prebarbigerone
0.000	[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-p-Hydroxybenzoyl))	Flavan 3-ol	Catechin 3-O-p-hydroxybenzoate
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	beta-Hydroxy(or Oxodihydro)chalcone	Pongapinone A
0.000	[Dihydrochalcone]-A(2OH)-B(2OH, 1Geranyl)	Dihydrochalcone	2-Geranyl-3,4,2',4'-tetrahydroxydihydrochalcone
0.000	[Dihydrochalcone]-A(3OH)-B(1OH, 2(C-Prenyl))	Dihydrochalcone	4,2',4',6'-Tetrahydroxy-3,5-diprenyldihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Dihydrochalcone alpha-ol	Kanzonol Y
0.000	[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(3OH, 2(C-Prenyl))-B(none)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone	3',4',6'-Trihydroxy-2'-oxo-3',5'-diprenyldihydrochalcone
0.000	[Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH)	Dihydroflavonol	Gericudranin C
0.000	[Dihydroflavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(2OH)	Dihydroflavonol	Gericudranin B
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	Flavonol	Velloquercetin 3,3',4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe)	Flavonol	Velloquercetin 3,5,3'-trimethyl ether
0.000	[Isoflavone]-A(1OH, 1(C-Prenyl))-B(2OMe, 1([@@]-Methylenedioxy))	Isoflavone	Preferrugone
0.000	[Isoflavone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Isoflavone	Pre-5-methoxydurmillone
0.000	[Rotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe)	Rotenone	Amorphigenin
0.000	[Rotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	Rotenone	Sumatrol
0.000	[Rotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Rotenone	Toxicarol
0.000	[6-Hydroxyrotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH)	6-Hydroxyrotenone	2,3,6-Trihydroxy-5''-isopropenyldihydrofurano[2'',3'':9,8]rotenone
0.000	[12a-Hydroxyrotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	12a-Hydroxyrotenone	Tephrosin
0.000	[Dehydrorotenone]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OMe)	Dehydrorotenone	Dehydrodalpanol

Level: 3, プリカーサーm/z: 393.07974

Splash: splash10-004i-0049000000-6cc975c4262831d220d8

m/z	Int.	NL	Rel.Int.
375.24	126	18	1000
290.95	50	102	394
213.12	17	180	136
331.18	13	62	106
347.09	12	46	98
351.45	12	42	93
249.14	8	144	63
276.37	7	117	55
303.38	7	90	52

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.238	[Flavanone]-A(1OH, 2(C-Prenyl))-B(1OH)	Flavanone	7,4'-Dihydroxy-6,8-di-C-prenylflavanone
0.238	[2'-Hydroxychalcone]-A(2OH, 2(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	4,2',4'-Trihydroxy-3',5'-diprenylchalcone
0.238	[Flavanone]-A(1OH)-B(1OH, 2(C-Prenyl))	Flavanone	7,4'-Dihydroxy-3',5'-di-C-prenylflavanone
0.238	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 2(C-Prenyl))	2'-Hydroxychalcone	Abyssinone VI
0.238	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Kanzonol C
0.238	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Stipulin
0.238	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Flavanone	7,4'-Dihydroxy-8,3'-di-C-prenylflavanone
0.211	[Flavanone]-A(2OH, 2(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6,8-di-C-prenylflavanone
0.053	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Pterocarpan	Ficifolinol
0.053	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Pterocarpan	Erythrabyssin II
0.053	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Pterocarpan	Erybraedin C
0.053	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Pterocarpan	Erybraedin A
0.000	[2'-Hydroxychalcone]-A(2OH, 1Geranyl)-B(1OH)	2'-Hydroxychalcone	Xanthoangelol
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	2'-Hydroxychalcone	Artoindonesianin J
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	2'-Hydroxychalcone	Bis(6'',6''-dimethyl-4'',5''-dihydropyrano)[2'',3'':4',5'][2'',3'':4,3]-2'-hydroxychalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1Geranyl)-B(1OH)	2'-Hydroxychalcone	Flemiwallichin E
0.000	[2'-Hydroxychalcone]-A(3OH, 1Geranyl)-B(none)	2'-Hydroxychalcone	3'-Geranyl-2',4',6'-trihydroxychalcone
0.000	[2'-Hydroxychalcone]-A(3OH, 1Neryl)-B(none)	2'-Hydroxychalcone	3'-Neryl-2',4',6'-trihydroxychalcone
0.000	[2'-Hydroxychalcone]-A(3OH, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	2'-Hydroxychalcone	Linderachalcone
0.000	[2'-Hydroxychalcone]-A(1OH, 2OMe, 1Br)-B(1OMe)	2'-Hydroxychalcone	3'-Bromo-6'-hydroxy-2',4,4'-trimethoxychalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1(2-Hydroxybenzyl), 1Methyl)-B(none)	Dihydrochalcone	Anguvetin
0.000	[Flavanone]-A(1OH, 1Geranyl)-B(1OH)	Flavanone	Prostratol F
0.000	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	Flavanone	Euchrenone a17
0.000	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	Flavanone	Dorsmanin B
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(none)	Flavanone	5,7-Dihydroxy-8-C-geranylflavanone
0.000	[Flavanone]-A(2OH, 1(6-Isopropyl-3-methyl-2-cyclohexenyl))-B(none)	Flavanone	Linderatone
0.000	[Flavone]-A(1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none)	Flavone	Semiglabrin
0.000	[Flavone]-A(1OH, 1OMe, 1(5-hydroxy-6-methyl-4-oxo-4H-pyran-3-yl))-B(none)	Flavone	Hosloppin
0.000	[Flavone]-A(2OMe, 1(2,5-Dihydro-5,5-dimethyl-2-oxo-3-furanyl))-B(none)	Flavone	Hookerianin
0.000	[Flavone]-A(1OMe, 1([5,4:@@]-(2,2-Dimethyldihydro-3-oxofuro[2,3-c]pyrano)))-B(none)	Flavone	Stachyoidin
0.000	[Flavonol]-A(2OH, 1(p-Hydroxybenzyl))-B(1OH)	Flavonol	8-C-p-Hydroxybenzylkaempferol
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OH)	Flavonol	5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone
0.000	[Flavan]-A(1OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavan	Kazinol B
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1(C-Prenyl))	Isoflavan	Hispaglabridin A
0.000	[6a-substituted Pterocarpan (6a-C-Prenyl)]-A(1OH)-B(1OH, 1(C-Prenyl))	6a-substituted Pterocarpan	Lespein
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1Geranyl)	Pterocarpan	Lespedezin
0.000	[Dehydrorotenone]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	Dehydrorotenone	Dehydrorotenone
0.000	[Dehydrorotenone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Dehydrorotenone	Dehydrodeguelin,7a,13a-Didehydrodeguelin
0.000	[4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1Butyroyl)-B(none)	4-phenylcoumarin	6-Butyryl-5,7-dihydroxy-8-prenyl-4-phenylcoumarin
0.000	[4-phenylcoumarin]-A(2OH, 1(C-Prenyl), 1Isobutyroyl)-B(none)	4-phenylcoumarin	Mesuol