ピーク情報

トマト Micro-Tom 花

pos

Peak #12650 MN MID: SE203_S31_M90

m/z: 353.26870, RT: 92.37, 強度: 2850, ログ強度: -0.20, 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: (20 names) [10]-Gingerdiol;MG(18:3(6Z,9Z,12Z)/0:0/0:0);Montanol;MG(18:3(9Z,12Z,15Z)/0:0/0:0);MG(0:0/18:3(9Z,12Z,15Z)/0:0);2S-hydroxy-4-oxononadeca-5E,16E-dien-1-yl acetate;1-O-(17-hydroxy-octadeca-1Z,5Z-dien-3-y...

DBごとのヒット数: ALL 17 KG 1 KN 7 HM 4 LM 5

FlavonoidSearch最大スコア MS2: 0.083, MS3: 0.158

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
C21H36O4	352.26136	0.183	MG(18:3(6Z,9Z,12Z)/0:0/0:0)	HMDB: HMDB0011569
C21H36O4	352.26136	0.183	[10]-Gingerdiol	KNApSAcK: C00035442
C21H36O4	352.26136	0.183	Montanol	KEGG: C09137 KNApSAcK: C00003457
C21H36O4	352.26136	0.183	MG(18:3(9Z,12Z,15Z)/0:0/0:0)	HMDB: HMDB0011570, HMDB0252853
C21H36O4	352.26136	0.183	MG(0:0/18:3(9Z,12Z,15Z)/0:0)	HMDB: HMDB0011540
C21H36O4	352.26136	0.183	2S-hydroxy-4-oxononadeca-5E,16E-dien-1-yl acetate	LipidMAPS: LMFA05000717
C21H36O4	352.26136	0.183	1-O-(17-hydroxy-octadeca-1Z,5Z-dien-3-ynyl)-sn-glycerol	LipidMAPS: LMGL01030008
C21H36O4	352.26136	0.183	(-)-Ebelactone B	HMDB: HMDB0251673 KNApSAcK: C00018476
C21H36O4	352.26136	0.183	MG(0:0/18:3(6Z,9Z,12Z)/0:0)	HMDB: HMDB0011539
C21H36O4	352.26136	0.183	1-O-(18-hydroxy-octadeca-1Z,5Z-dien-3-ynyl)-sn-glycerol	LipidMAPS: LMGL01030009
C21H36O4	352.26136	0.183	Tomentol	KNApSAcK: C00022159
C21H36O4	352.26136	0.183	1,10Z-heptadecadiene-2,3R-dicarboxylic acid	LipidMAPS: LMFA01170127
C21H36O4	352.26136	0.183	Pretomentol	KNApSAcK: C00022155
C21H36O4	352.26136	0.183	Grandilobatin A	KNApSAcK: C00039291
C21H36O4	352.26136	0.183	Sterebin L	KNApSAcK: C00045082, C00045083
C21H36O4	352.26136	0.183	Tomentanol	KNApSAcK: C00022158
C21H36O4	352.26136	0.183	2S-hydroxy-4-oxononadeca-16E,18E-dien-1-yl acetate	LipidMAPS: LMFA05000716

MSnスペクトル情報

Level: 2, プリカーサーm/z: 353.26855

Splash: splash10-000i-0009000000-caa444d98a2f37d107ea

m/z	Int.	NL	Rel.Int.
335.20	745	18	1000
317.34	112	36	150
311.90	45	41	61

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.083	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Xanthohumol C
0.083	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Citrunobin
0.083	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	2'-Hydroxychalcone	Pongachalcone II
0.077	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavanone	5-Hydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
0.071	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavone	Cycloartocarpesin
0.071	[Flavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Yinyanghuo E
0.067	[Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Semilicoisoflavone B
0.067	[Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Licoisoflavone B
0.067	[Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Sophoraisoflavone A
0.067	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	5,3',4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavone
0.067	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Parvisoflavone A
0.067	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Parvisoflavone B
0.063	[2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Ovalichalcone
0.063	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe)	2'-Hydroxychalcone	4'-O-Methylbavachalcone
0.059	[Flavanone]-A(2OMe, 1(C-Prenyl))-B(none)	Flavanone	Candidone
0.048	[Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavonol	3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone
0.048	[Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavonol	Citrusinol
0.042	[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Isoflavone	Gancaonin G
0.042	[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Isoflavone	5-O-Methyllupiwighteone
0.042	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe)	Isoflavone	Gancaonin A
0.042	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe)	Isoflavone	Gancanin M
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavone	Artonin U
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Pterocarpan	Edulenanol
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5,5-Dimethyl-4-hydroxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none)	2'-Hydroxychalcone	Tephrosone
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(4,5-Epoxy-6,6-dimethyl-4,5-dihydropyrano)))-B(none)	2'-Hydroxychalcone	Epoxyobovatachalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	Demethylpraecanson B
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1(C-Prenyl))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	Pongagallone A
0.000	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Flavanone	Ovaliflavanone C
0.000	[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH)-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cyclocommunol
0.000	[Flavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(none)	Flavonol	3,5,6-Trimethoxyfurano[2,3:7,8]flavone
0.000	[Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none)	Flavan 4-ol	Methylhildgardtol A
0.000	[Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavan 4-ol	Methylhildgardtol B
0.000	[Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavan 4-ol	Xuulanin
0.000	[Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))	Isoflavone	Crotarin
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH)	Isoflavone	Lupinisoflavone A
0.000	[Isoflavan]-A(1([@@]-Methylenedioxy))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavan	Leiocin
0.000	[isoflavene]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	isoflavene	Neorauflavene
0.000	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Pterocarpan	Edunol
0.000	[Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neorautane
0.000	[Coumestan]-A(1OH, 1(3-Methyl-2,3-epoxybutyl))-B(1OH)	Coumestan	Psoralidin oxide
0.000	[Coumestan]-A(1OH)-B(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Coumestan	Bavacoumestan B
0.000	[Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Coumestan	Bavacoumestan A
0.000	[Rotenone]-A(1([2,3:@@]-Furano))-B(2OMe)	Rotenone	Elliptone
0.000	[Rotenone]-A(1([2,3:@@]-Furano))-B(2OMe)	Rotenone	Erosone
0.000	[12a-Hydroxyrotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	12a-Hydroxydolineone
0.000	[Coumaranochromon]-A(2OH)-B(1OH, 1(C-Prenyl))	Coumaranochromon	Lupinalbin D
0.000	[Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(1OH)	Coumaranochromon	Lupinalbin B

Level: 3, プリカーサーm/z: 335.23328

Splash: splash10-014i-0109000000-b74aeba0c53529bc7f75

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.158	[Flavonol]-A(3OH)-B(3OH)	Flavonol	3,5,6,7,2',3',4'-Heptahydroxyflavone
0.158	[Flavonol]-A(3OH)-B(3OH)	Flavonol	Hibiscetin
0.125	[Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Coumestan	Sophoracoumestan A
0.100	[Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Isoflavone	Calopogoniumisoflavone A
0.100	[Dihydroflavonol]-A(2OH, 1OMe)-B(2OH)	Dihydroflavonol	Diosalol
0.100	[Dihydroflavonol]-A(2OH)-B(2OH, 1OMe)	Dihydroflavonol	3,5,7,4',5'-Pentahydroxy-3'-methoxyflavanone
0.100	[Dihydroflavonol]-A(2OH)-B(2OH, 1OMe)	Dihydroflavonol	Pallasiin
0.100	[Flavonol]-A(4OH)-B(2OH)	Flavonol	8-Hydroxyquercetagetin
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavone	Isopongaflavone
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavone	5-Methoxy-2,2-dimethyl-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
0.000	[Auronol]-A(2OH)-B(2OH, 1OMe)	Auronol	Amaronol B
0.000	[Dihydroflavonol]-A(2OH)-B(2OH, 1Hydroxymethyl)	Dihydroflavonol	6'-Hydroxymethyltaxifolin
0.000	[Dihydroflavonol]-A(2OH, 1Methyl)-B(3OH)	Dihydroflavonol	Cedrin
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavonol	Karanjachromene
0.000	[Flavan 3,4-diol (3-OMe)]-A(1OH, 1OMe)-B(2OH)	Flavan 3,4-diol	Mesquitol-4beta-ol 3,8-dimethyl ether
0.000	[Pterocarpene]-A(1OMe)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpene	3-O-Methylanhydrotuberosin
0.000	[Dehydrorotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Dehydrorotenone	Dehydrodolineone

m/z	Int.	NL	Rel.Int.
317.34	291	18	1000
165.13	53	170	180
279.44	17	56	59
336.33	16	-1	53