ピーク情報

しそ葉生

pos

Peak #2112 MN MID: SE113_S060951_M90

m/z: 503.16596, RT: 34.87, 強度: 13681, ログ強度: 0.57, アダクト: [M+2(CH3OH)+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: Silica aerogel

DBごとのヒット数: ALL 1 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.067

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
C23H22O3N2S2	438.10718	-2.119	Silica aerogel	HMDB: HMDB0032503

MSnスペクトル情報

Level: 2, プリカーサーm/z: 503.16513

Splash: splash10-0006-0019000000-c77f29d4448585e74351

m/z	Int.	NL	Rel.Int.
341.25	10324	162	1000
279.10	2656	224	257
323.21	1728	180	167
309.25	568	194	55

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Coumaroyl)-(E)-4-hydroxyprenyl))-B(2OH)	2'-Hydroxychalcone	Demethoxyisogemichalcone C
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cycloheterophyllin
[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1([2,3:@@]-(6,6-Dimethylpyrano))))	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artonin N
[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Artonin F
[CCS-type derivative / [2,2a,5:3',2',3]-7-Methyl-7-(4-Methyl-3-pentenyl)tetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	CCS-type derivative / [2,2a,5:3',2',3]-7-Methyl-7-(4-Methyl-3-pentenyl)tetrahydroisobenzofuranoflavone	Artonin M
[UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone	Artonin O
[Coumaranochromon]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Coumaranochromon	Euchretin A

Level: 3, プリカーサーm/z: 341.24722

Splash: splash10-0002-0900000000-15c549efe9ec0d96ff8e

m/z	Int.	NL	Rel.Int.
147.04	2299	194	1000
130.07	218	211	94
294.84	207	46	89
312.50	183	29	79

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.067	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none)	Dihydroflavonol	8-Prenylpinobanksin
0.067	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none)	Dihydroflavonol	6-Prenylpinobanksin
0.059	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavanone	Kushenol S
0.059	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavanone	6-Prenylnaringenin
0.059	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavanone	Sophoraflavanone B
0.059	[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH)	Isoflavanone	Dihydrowighteone
0.059	[Isoflavanone]-A(1OH, 1(C-Prenyl))-B(2OH)	Isoflavanone	7,2',4'-Trihydroxy-8-prenylisoflavanone
0.050	[Flavanone]-A(1OH, 1(C-Prenyl))-B(2OH)	Flavanone	Euchrenone a7
0.050	[2'-Hydroxychalcone]-A(2OH)-B(2OH, 1(C-Prenyl))	2'-Hydroxychalcone	Broussochalcone A
0.050	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(2OH)	2'-Hydroxychalcone	Morachalcone A
0.000	[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl))	Flavanone	Licoflavanone
0.000	[2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	2'-Hydroxychalcone	Psorachalcone A
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	2'-Hydroxychalcone	Bakuchalcone
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Bavachromanol
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	2'-Hydroxychalcone	5-Prenyl-6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxychalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Helikrausichalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	beta-Hydroxy(or Oxodihydro)chalcone	5'-Prenyllicodione
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	beta-Hydroxy(or Oxodihydro)chalcone	Kanzonol A
0.000	[Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Dihydrochalcone	Crotin (chalcone)
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	Dihydrochalcone	2',6'-Dihydroxy-4'-methoxy-3'-prenyldihydrochalcone
0.000	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	Flavanone	Brosimacutin D
0.000	[Flavanone]-A(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Flavanone	Brosimacutin E
0.000	[Flavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(none)	Flavanone	5,7-Dihydroxy-8-C-(4-hydroxy-3-methyl-2-butenyl)flavanone
0.000	[Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH)	Flavanone	5,7,4'-Trihydroxy-6-(1,1-dimethylallyl)flavanone
0.000	[Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH)	Flavanone	Ugonin E
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH)	Flavanone	5,4'-Dihydroxy-4'',4''-Dimethyl-5''-[2'',3'':7,6]methyldihydrofuranoflavanone
0.000	[Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	Flavone	7-Methoxy-5,6:3',4'-bis(methylenedioxy)flavone
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	CCS-type derivative / [3,2']-Epoxymethanoflavone	Pulcherrimin
0.000	[Isoflavan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavan	2'-O-Methylphaseollidinisoflavan
0.000	[Isoflavan]-A(1OH, 1(1,1-Dimethylallyl))-B(1OH, 1OMe)	Isoflavan	Millinol B
0.000	[Isoflavan]-A(1OH, 1(C-Prenyl))-B(1OH, 1OMe)	Isoflavan	4'-O-Methylpreglabridin
0.000	[isoflavan-4-ol]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	isoflavan-4-ol	Ambanol
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	Pterocarpan	10-(2-Hydroxy-3-methyl-3-butenyl)demethylmedicarpin
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan-6a-ol	Sandwicarpin
0.000	[Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan-6a-ol	Glyceocarpin
0.000	[Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan-6a-ol	Glyceollidin I
0.000	[2-Phenylbenzofuran]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH)	2-Phenylbenzofuran	Licocoumarone

Level: 3, プリカーサーm/z: 279.10095

Splash: splash10-016r-1590000000-9c9db1b362a57073c160

m/z	Int.	NL	Rel.Int.
216.15	327	63	1000
129.96	116	149	354
127.90	111	151	341
83.90	53	195	163
234.81	41	44	124
132.24	39	147	118
218.13	36	61	111
233.35	21	46	64

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Aurone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Aurone	4-Hydroxyfurano[2'',3'':6,7]aurone
[Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Chalcone	Ovalitenin A
[Flavone]-A(1([2,3:@@]-Furano))-B(1OH)	Flavone	3'-Hydroxy-[2'',3'':7,8]furanoflavone
[Flavone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Flavone	6-Hydroxyfurano[2'',3'':7,8]flavone
[Flavone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Flavone	Pongaglabol
[Pterocarpene]-A(1([2,3:@@]-Furano))-B(1OH)	Pterocarpene	Neorauteen