ピーク情報

しそ葉生

pos

Peak #11579 MN MID: SE113_S060951_M90

m/z: 532.34825, RT: 81.73, 強度: 78410, ログ強度: 1.33, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 67

DB検索結果: (2 names) Daechuine S7;(-)-Daechuine S7

DBごとのヒット数: ALL 1 KN 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.188

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
C27H46O9	514.31418	0.474	1-(9Z,12Z,15Z-octadecatrienoy)l-3-O-beta-D-galactosyl)-sn-glycerol	LipidMAPS: LMGL04010022
C28H42O5N4	514.31552	-2.126	Daechuine S7	KNApSAcK: C00028129

MSnスペクトル情報

Level: 2, プリカーサーm/z: 532.34766

Splash: splash10-0w29-0019140000-84246fe2d210a266b84d

m/z	Int.	NL	Rel.Int.
353.22	5722	179	1000
514.79	3215	18	561
497.28	950	35	166
261.13	841	271	146
335.31	469	197	81

Level: 3, プリカーサーm/z: 353.22137

Splash: splash10-03di-0091000000-3371d96d2e92728f2e8f

m/z	Int.	NL	Rel.Int.
261.23	787	92	1000
243.22	286	110	363
279.22	172	74	217
335.19	164	18	207
263.31	72	90	91
150.99	43	202	54

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.188	[Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Semilicoisoflavone B
0.188	[Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Licoisoflavone B
0.188	[Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Sophoraisoflavone A
0.188	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	5,3',4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavone
0.188	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Parvisoflavone A
0.188	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Parvisoflavone B
0.136	[Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavonol	3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone
0.136	[Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavonol	Citrusinol
0.125	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavone	Cycloartocarpesin
0.125	[Flavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Yinyanghuo E
0.120	[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Isoflavone	Gancaonin G
0.120	[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Isoflavone	5-O-Methyllupiwighteone
0.083	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Pterocarpan	Edulenanol
0.077	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe)	Isoflavone	Gancaonin A
0.077	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe)	Isoflavone	Gancanin M
0.067	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Xanthohumol C
0.067	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Citrunobin
0.067	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	2'-Hydroxychalcone	Pongachalcone II
0.063	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavanone	5-Hydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
0.053	[2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Ovalichalcone
0.053	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe)	2'-Hydroxychalcone	4'-O-Methylbavachalcone
0.050	[Flavanone]-A(2OMe, 1(C-Prenyl))-B(none)	Flavanone	Candidone
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavone	Artonin U
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: 514.78870

Splash: splash10-0002-0009000000-3793996b0cc01717139b

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS3	共有数
11579	81.73	532.34825	0.0000	1.33	[M+NH4]+	(2 names) Daechuine S7; (-)-Daechuine S7	ALL 1 KN 1	MS2 MS3 x 2	0.188	67
	81.75	515.32192	-17.0263	0.86	[M+H]+	(2 names) Daechuine S7; (-)-Daechuine S7	ALL 1 KN 1	MS2 MS3 x 2	0.160	62
	81.72	497.31095	-35.0373	0.18	[M-H2O+H]+	(2 names) Daechuine S7; (-)-Daechuine S7	ALL 1 KN 1			20

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

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