ピーク情報

しそ葉生

pos

Peak #11646 MN MID: SE113_S060951_M90

m/z: 443.16028, RT: 83.10, 強度: 13847, ログ強度: 0.58, 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: (2 names) Antibiotic RP 1551-3;5-Chloro-3-(3,5-dimethyl-1,3-heptadienyl)-9,9a-dihydro-6a-methyl-9-(1-oxo-2-butenyl)-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione

DBごとのヒット数: ALL 1 KN 1

FlavonoidSearch最大スコア MS2: 0.036, MS3: 0.176

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
C25H27O5Cl	442.15470	-3.834	Antibiotic RP 1551-3	KNApSAcK: C00015344

MSnスペクトル情報

Level: 2, プリカーサーm/z: 443.15976

Splash: splash10-0002-0009000000-04290e4eb7de8dde3a23

m/z	Int.	NL	Rel.Int.
397.24	19762	46	1000
311.18	4101	132	207
339.12	2143	104	108
267.12	1256	176	63

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.036	[Isoflavone]-A(2OH, 1OMe, 1(C-Prenyl))-B(3OMe)	Isoflavone	6-Prenylisocaviunin
0.000	[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-Galloyl))	Flavan 3-ol	Catechin 3-O-gallate
0.000	[Flavan 3-ol]-A(1OH)-B(3OH)-C(1(O-Galloyl))	Flavan 3-ol	Robinetinidol 3-O-gallate
0.000	[Flavanone]-A(2OH, 1(5-methyl-2-(2-hydroxyisopropyl)-4-hexenyl))-B(2OH)	Flavanone	Exiguaflavanone M
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH)	Flavanone	Lonchocarpol B
0.000	[Flavanone]-A(2OH)-B(2OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl))	Flavanone	Propolin A
0.000	[Flavanone]-A(2OH)-B(2OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl))	Flavanone	Propolin B
0.000	[Flavanone]-A(2OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl))-B(2OH)	Flavanone	Prokinawan
0.000	[6,12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	6,12a-Hydroxyrotenone	Villol

Level: 3, プリカーサーm/z: 397.24051

Splash: splash10-014i-0095000000-97dc144591212f19c2be

m/z	Int.	NL	Rel.Int.
217.02	5189	180	1000
319.21	2400	78	462
293.24	1334	104	257
253.17	620	144	119
306.28	518	91	99
369.35	411	28	79
355.34	390	42	75
279.09	320	118	61
379.25	287	18	55
305.23	269	92	51

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.176	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OMe)	2'-Hydroxychalcone	Glabrachalcone
0.176	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	2'-Hydroxychalcone	Ponganone VI
0.176	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	2'-Hydroxychalcone	Glychalcone B
0.176	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	2'-Hydroxychalcone	6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-3,4,4'-trimethoxychalcone
0.167	[Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Flavanone	Ponganone IV
0.167	[Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Flavanone	Glyflavanone B
0.111	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe)	Isoflavone	Elongatin
0.107	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe)	Isoflavone	Pumilaisoflavone D
0.067	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe)	Flavone	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
0.000	[2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	2'-Hydroxychalcone	Ovalichalcone A
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	beta-Hydroxy(or Oxodihydro)chalcone	Pongagallone B
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 2Methyl)	Flavone	Muxiangrin III
0.000	[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1OMe)-B(2OH, 1OMe)	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artoindonesianin S
0.000	[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Artonin L
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe)	Flavonol	Velloquercetin 3,3'-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH)	Flavonol	8-C-Methylvelloquercetin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Flavonol	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2,3:7,8]flavone
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 2OMe)	Isoflavone	5,4'-Dihydroxy-3',5'-dimethoxy-(5''-Isopropenyldihydrofurano)[2'',3'':7,6]isoflavone
0.000	[Pterocarpan]-A(2OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neoraucarpan
0.000	[Rotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(1OH, 1OMe)	Rotenone	3-O-Demethylamorphigenin
0.000	[Rotenone]-A(1OH, 1(C-Prenyl))-B(2OMe)	Rotenone	Rotenonic acid
0.000	[4-Benzoylchroman]-A(2OMe)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))	4-Benzoylchroman	Rotenol

Level: 3, プリカーサーm/z: 311.18130

Splash: splash10-0006-0090000000-93ddabf90bbc53e7fb71

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2-Benzyl-2-hydroxydihydrobenzofuran (2,3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	2-Benzyl-2-hydroxydihydrobenzofuran	Castillene B
[Dihydrochalcone beta-ol (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Dihydrochalcone beta-ol	Ovalitenin B
[Flavone]-A(2OH, 1(2-Oxoethyl))-B(none)	Flavone	6-(2-Oxoethyl)-5,7-dihydroxyflavone
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	Isoflavone	Maximaisoflavone A
[Coumestan]-A(1OMe)-B(1([@@]-Methylenedioxy))	Coumestan	Flemichapparin C