ピーク情報

イネ　葉　コシヒカリ

pos

Peak #7771 MN MID: SE199_S31_M90

m/z: 701.18671, RT: 74.91, 強度: 10592, ログ強度: 0.47, 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: Paulomycin E

DBごとのヒット数: ALL 1 KN 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.034

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
C29H36O16N2S	700.17855	1.251	Paulomycin E	KNApSAcK: C00017887

MSnスペクトル情報

Level: 2, プリカーサーm/z: 701.18665

Splash: splash10-0a4i-0002090000-a395c432cf3f626ef4f9

m/z	Int.	NL	Rel.Int.
507.21	4961	194	1000
371.14	1388	330	279
537.31	522	164	105
475.13	255	226	51

Level: 3, プリカーサーm/z: 507.20636

Splash: splash10-004i-0006900000-59e706473ccbee6a4bc3

m/z	Int.	NL	Rel.Int.
475.23	2169	32	1000
327.24	974	180	449
354.82	402	152	185
331.03	131	176	60
329.14	121	178	55
479.22	121	28	55
340.16	117	167	54

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.034	[Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 2(C-Prenyl))	Flavonol	Broussoflavonol G
0.034	[Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 2(C-Prenyl))	Flavonol	Petalostemumol G
0.000	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Flavanone	Amoritin
0.000	[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Flavanone	Isoamoritin
0.000	[Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5-(hydroxyisopropyl)-4-(5-methoxycarbonyl-2-hydroxyPhenyl)-4,5-dihydrofurano)))-B(none)	Dihydrochalcone	Piperaduncin B
0.000	[Flavanone]-A(1OH, 1Methyl, 1([2,3:@@]-(8a-Hydroxy-4-Isopropyl-6,6,8,8-tetramethyl-5,7-dioxy-4,4a,8,8a-tetrahydrochromeno)))-B(none)	Flavanone	Lumaflavanone C
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Flavanone	Flemichin E
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone H
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone I
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(2OH)	3-substituted Flavone	Dorsilurin D
0.000	[Flavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Flavone	Artelastofuran
0.000	[Flavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(2OH)	Flavone	Dorsilurin B
0.000	[CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(2OH, 2(C-Prenyl))-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone	Artelastocarpin
0.000	[CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone]-A(none)-B(1Geranyl)	CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone	Sanggenol G
0.000	[CCS-type derivative / [3,2']-Epoxy-2-farnesylflavanone]-A(2OH)-B(1OH)	CCS-type derivative / [3,2']-Epoxy-2-farnesylflavanone	Sanggenol H
0.000	[CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone]-A(1Geranyl)-B(none)	CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone	Sanggenol I
0.000	[CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone	Sorocein F
0.000	[CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone]-A(2OH, 2(C-Prenyl))-B(1OH)	CCS-type derivative / [3,2']-Epoxy-2-prenyl-3-hydroxyflavanone	Sorocein G
0.000	[Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(2OH, 2(C-Prenyl))	Flavonol	Broussoflavonol C
0.000	[Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))	Flavonol	Broussoflavonol E

Level: 3, プリカーサーm/z: 371.25366

Splash: splash10-004i-0900000000-3843f8b874b4edb08bd8

m/z	Int.	NL	Rel.Int.
176.98	390	194	1000
151.01	159	220	407
146.99	114	224	292
144.98	75	226	193
181.09	20	190	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.111	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Flavanone	Exiguaflavanone K
0.056	[Isoflavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavanone	3S-5,7,3'-Trihydroxy-4'-methoxy-5'-prenylisoflavanone
0.056	[Isoflavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavanone	Sophoraisoflavanone A
0.053	[Flavanone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	Dioflorin
0.000	[Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavonol	Gancaonin P
0.000	[Flavonol]-A(2OH)-B(2OH, 1(C-Prenyl))	Flavonol	2'-Prenylrhynchosin
0.000	[Flavonol]-A(2OH)-B(2OH, 1(C-Prenyl))	Flavonol	Uralenol
0.000	[Flavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Flavone	Torosaflavone D
0.000	[Dihydroflavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	Dihydroflavonol	Dioclenol
0.000	[Flavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl))	Flavanone	5'-Prenylhomoeriodictyol
0.000	[Flavanone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl))	Flavanone	4'-Methylsigmoidin B
0.000	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH)	Flavanone	5,3',4'-Trihydroxy-7-methoxy-8-C-prenylflavanone
0.000	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH)	Flavanone	Kenusanone I
0.000	[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavanone	4'-O-Methylkievitone
0.000	[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavanone	Diphysolidone
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(2-Hydroperoxy-3-methyl-3-butenyl))-B(1OH)	2'-Hydroxychalcone	Xanthoangelol E
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	2'-Hydroxychalcone	Xanthohumol D
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Dehydrocycloxanthohumol hydratechalcone
0.000	[Dihydrochalcone]-A(1OH, 2OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Dihydrochalcone	2'-Hydroxy-5',6'-dimethoxy-3,4-methylenedioxyfurano[2'',3'':4',3'] dihydrochalcon
0.000	[Flavanone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OMe)	Flavanone	5,7-Dihydroxy-4'-methoxy-8-C-(2-hydroxy-3-methyl-3-butenyl)flavanone
0.000	[Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH, 1OMe)	Flavanone	5,7,4'-Trihydroxy-3'-methoxy-6-(1,1-dimethylallyl)flavanone
0.000	[Flavone]-A(2OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(2OH)	Flavone	Oxidihydroartocarpesin
0.000	[Dihydroflavonol]-A(1OH, 1OMe, 1Methyl)-B(1OH)	Dihydroflavonol	5,7,4'-Trihydroxy-5-methoxy-8-prenylflavanone
0.000	[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(2OH)	Dihydroflavonol	7,8-Dihydrooxepinodihydroquercetin
0.000	[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH)	Dihydroflavonol	Shuterone A
0.000	[Flavonol]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Flavonol	Glycyrrhiza flavonol A
0.000	[Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	Flavonol	Meliternatin
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	CCS-type derivative / [3,2']-Epoxymethanoflavone	6-Methoxypulcherrimin
0.000	[Flavan 3,4-diol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavan 3,4-diol	4beta-Hydroxyobovatachromene
0.000	[Flavan 3,4-diol]-A(2OMe, 1([2,3:@@]-Furano))-B(none)	Flavan 3,4-diol	3,4,5,6-Tetramethoxyfurano[2,3-h]flavan
0.000	[Flavan 3,4-diol]-A(2OMe, 1([2,3:@@]-Furano))-B(none)	Flavan 3,4-diol	Diplotropin
0.000	[Isoflavone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(2OH)	Isoflavone	2,3-Dehydrokievitol
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Isoflavone	Lunatone
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Isoflavone	Lupinisoflavone B
0.000	[Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone D
0.000	[Isoflavan]-A(1OH)-B(1OH, 2OMe, 1(1,1-Dimethylallyl))	Isoflavan	Unanisoflavan
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl))	Pterocarpan-6a-ol	Sphenostylin B
0.000	[6-Oxodehydrorotenone]-A(1OH, 1OMe)-B(2OMe)	6-Oxodehydrorotenone	Stemonone