ピーク情報

（しょうが類）しょうが根茎生

pos

Peak #12996 MN MID: SE115_S061031_M90

m/z: 425.26869, RT: 102.89, 強度: 214829, ログ強度: 1.86, 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: (13 names) Scopanolal;(-)-Scopanolal;Apo-10'-fucoxanthinal;(3S,5R,6S)-5,6-Epoxy-5,6,7,8-tetrahydro-3-hydroxy-8-oxo-10'-apo-beta,psi-carotenal;Chabrolobenzoquinone A;Sargaquinoic acid;;Lygodinolide;iso-Dulcinol;M...

DBごとのヒット数: ALL 11 KN 9 LM 2

FlavonoidSearch最大スコア MS2: 0.125, MS3: 0.111

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
C27H36O4	424.26136	0.115	Scopanolal	KNApSAcK: C00045063
C27H36O4	424.26136	0.115	Apo-10'-fucoxanthinal	KNApSAcK: C00023127
C27H36O4	424.26136	0.115	Sargaquinoic acid	KNApSAcK: C00031302
C27H36O4	424.26136	0.115	Chabrolobenzoquinone A	KNApSAcK: C00042364, C00042366, C00043379
C27H36O4	424.26136	0.115		LipidMAPS: LMPK13070034, LMPK13070038
C27H36O4	424.26136	0.115	Lygodinolide	KNApSAcK: C00051366
C27H36O4	424.26136	0.115	iso-Dulcinol	KNApSAcK: C00030524
C27H36O4	424.26136	0.115	Methyldehydrograviphane	KNApSAcK: C00039761
C27H36O4	424.26136	0.115	Dulcinol	KNApSAcK: C00044732
C27H36O4	424.26136	0.115	5beta,6beta:22R,26-diepoxy-4-norergosta-27-hydroxy-2,5,24-triene-1,26-dione	LipidMAPS: LMST01160072
C27H36O4	424.26136	0.115	Sargachromenol	KNApSAcK: C00031300
C27H36O4	424.26136	0.115		LipidMAPS: LMPK13070032

MSnスペクトル情報

Level: 2, プリカーサーm/z: 425.26819

Splash: splash10-056r-0191100000-55e80faa6f3ddaa7fee7

m/z	Int.	NL	Rel.Int.
275.17	60370	150	1000
257.25	23669	168	392
407.31	17785	18	294
177.01	14263	248	236
291.29	10467	134	173
136.98	9402	288	155
289.24	8193	136	135
327.32	7414	98	122
207.09	4797	218	79
235.16	4499	190	74
309.25	3744	116	62
301.19	3381	124	56
277.27	3195	148	52

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.125	[Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH)	Flavanone	Monotesone B
0.125	[Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH)	Flavanone	6,8-Diprenyleriodictyol
0.125	[Flavanone]-A(2OH, 2(C-Prenyl))-B(2OH)	Flavanone	Kushenol E
0.087	[Dihydroflavonol]-A(2OH, 2(C-Prenyl))-B(1OH)	Dihydroflavonol	6,8-diprenylaromadendrin
0.080	[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavanone	3'-Dimethylallylkievitone
0.042	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	Dihydroflavonol	Lespedezaflavanone C
0.038	[Flavanone]-A(2OH)-B(2OH, 2(C-Prenyl))	Flavanone	Sigmoidin A
0.038	[Flavanone]-A(2OH)-B(2OH, 2(C-Prenyl))	Flavanone	Abyssinin III
0.038	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavanone	Gancaonin E
0.038	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavanone	5,7,3',4'-Tetrahydroxy-6,5'-di-C-prenylflavanone
0.038	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavanone	Lespedezaflavanone D
0.000	[Flavone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Flavone	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
0.000	[2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	2'-Hydroxychalcone	Angusticornin B
0.000	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(4-Hydroxy-5-(hydroxyisopropanyl)dihydrofurano)))	2'-Hydroxychalcone	Paratocarpin G
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(5,5-Dimethyl-4-acetoxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none)	2'-Hydroxychalcone	Tephropurpurin
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	beta-Hydroxy(or Oxodihydro)chalcone	Glyinflanin E
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH, 1(C-Prenyl))	beta-Hydroxy(or Oxodihydro)chalcone	Glyinflanin F
0.000	[Dihydrochalcone]-A(1OH, 1OMe, 1([2,3:@@]-(4-Ispropyl-7-methyl-7-hydroxy-3a,4,5,6,7,7a-hexahydrobenzofurano)))-B(none)	Dihydrochalcone	Adunctin E
0.000	[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone]-A(2OH, 1OMe, 2(C-Prenyl))-B(none)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Dihydrochalcone	Helihumulone
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(2OH)	Flavanone	Exiguaflavanone A
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(2OH)	Flavanone	Exiguaflavanone L
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	Flavanone	Lupiniol A1
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	Flavanone	Lupiniol B
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(3-Methyl-2,3-epoxybutyl))	Flavanone	Flemiflavanone D
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Flavanone	Lonchocarpol C
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Flavanone	Lonchocarpol D
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(2OH)	Flavanone	Diplacone
0.000	[Flavanone]-A(2OH)-B(2OH, 1Geranyl)	Flavanone	Propolin D
0.000	[Flavanone]-A(2OH)-B(2OH, 1Geranyl)	Flavanone	Isonymphaeol B
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH)	Flavanone	Dorsmanin J
0.000	[Flavanone]-A(2([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH)	Flavanone	Dorsmanin E
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1,1-Dimethylallyl))	Flavanone	2',4'-Dihydroxy-5'-(1'',1''-dimethylallyl)-6-C-prenylpinocembrin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1,1-Dimethylallyl))	Flavanone	5,7,2',4'-Tetrahydroxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone
0.000	[Flavanone]-A(2OH)-B(2OH, 1Geranyl)	Flavanone	Sanggenol A
0.000	[Flavanone]-A(2OH)-B(2OH, 1Geranyl)	Flavanone	5'-Geranylsteppogenin
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(2OH)	Flavanone	Sophoraflavanone C
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(2OH)	Flavanone	Kushenol F
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(2OH)	Flavanone	Sophoraflavanone G
0.000	[Flavanone]-A(2OH, 1(2-Isopropenyl-5-methyl-5-hexenyl))-B(2OH)	Flavanone	Remangiflavanone B
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(2OH)	Flavanone	Leachianone F
0.000	[Dihydroflavonol]-A(2OH, 1Geranyl)-B(1OH)	Dihydroflavonol	Bonanniol A
0.000	[Dihydroflavonol]-A(2OH)-B(1OH, 1(5-Carboxy-2-hydroxyphenyl))	Dihydroflavonol	Hypnum acid
0.000	[Flavonol (3-OMe)]-A(1OMe, 1Methyl, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe)	Flavonol	8-C-Methylvelloquercetin 3,5,3'-trimethyl ether
0.000	[Flavan 3-ol]-A(1OH)-B(2OH)	Flavan 3-ol	6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
0.000	[Isoflavanone]-A(2OH, 1Geranyl)-B(2OH)	Isoflavanone	6-Geranyldalbergioidin
0.000	[Isoflavan]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavan	Licoricidin
0.000	[Rotenone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Rotenone	Erythynone
0.000	[12a-Hydroxyrotenone (3-OMe)]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	12a-Hydroxyrotenone	12a-Methoxyrotenone
0.000	[6-Hydroxydehydrorotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	6-Hydroxydehydrorotenone	6-Hydroxy-6a,12a-dehydro-alpha-toxicarol

Level: 3, プリカーサーm/z: 275.26840

Splash: splash10-0a4i-0290000000-5a04cfe7a86ade30d44c

m/z	Int.	NL	Rel.Int.
257.17	17430	18	1000
177.16	2634	98	151
189.11	2088	86	119
195.16	1361	80	78
215.17	1213	60	69

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.111	[Flavan 3-ol]-A(2OH)-B(1OH)	Flavan 3-ol	Afzelechin
0.111	[Flavan 3-ol]-A(1OH)-B(2OH)	Flavan 3-ol	Fisetinidol
0.000	[Dihydrochalcone]-A(3OH)-B(1OH)	Dihydrochalcone	Phloretin
0.000	[Auronol]-A(none)-B(1Cl)	Auronol	4'-Chloro-2-hydroxyaurone
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(1OH)	Dihydrochalcone alpha-ol	4,2',4',alpha-Tetrahydroxydihydrochalcone
0.000	[Dihydrochalcone beta-ol]-A(2OH)-B(1OH)	Dihydrochalcone beta-ol	4,2',4',beta-Tetrahydroxydihydrochalcone
0.000	[Flavan 4-ol]-A(2OH)-B(1OH)	Flavan 4-ol	Apifero
0.000	[Flavan 3,4-diol]-A(1OH)-B(1OH)	Flavan 3,4-diol	3,4,7,4'-Tetrahydroxyflavan
0.000	[Flavan]-A(2OH)-B(2OH)	Flavan	5,7,3',4'-Tetrahydroxyflavan

Level: 3, プリカーサーm/z: 257.17746

Splash: splash10-0v09-0590000000-78243375d8e88d5e5b27

m/z	Int.	NL	Rel.Int.
201.13	2169	56	1000
215.11	1257	42	579
225.17	1150	32	530
189.10	1148	68	529
137.08	432	120	199
242.10	381	15	175
157.14	336	100	154
239.18	303	18	139
172.93	303	84	139
197.13	300	60	138
133.13	219	124	100
187.00	207	70	95

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.333	[2'-Hydroxychalcone]-A(2OH)-B(1OH)	2'-Hydroxychalcone	Isoliquiritigenin
0.333	[2'-Hydroxychalcone]-A(2OH)-B(1OH)	2'-Hydroxychalcone	4,2',5'-Trihydroxychalcone
0.333	[2'-Hydroxychalcone]-A(2OH)-B(1OH)	2'-Hydroxychalcone	4,2',3'-Trihydroxychalcone
0.316	[Flavanone]-A(1OH)-B(1OH)	Flavanone	Liquiritigenin
0.263	[2'-Hydroxychalcone]-A(1OH)-B(2OH)	2'-Hydroxychalcone	3,4,2'-Trihydroxychalcone
0.167	[2'-Hydroxychalcone]-A(3OH)-B(none)	2'-Hydroxychalcone	2',4',6'-Trihydroxychalcone
0.158	[Flavanone]-A(2OH)-B(none)	Flavanone	Pinocembrin
0.105	[Isoflavanone]-A(1OH)-B(1OH)	Isoflavanone	Dihydrodaidzein
0.067	[Dihydroflavonol]-A(1OH)-B(none)	Dihydroflavonol	3,7-dihydroxyflavanone
0.000	[Dihydrochalcone]-A(1OH, 1OMe)-B(none)	Dihydrochalcone	2'-Hydroxy-4'-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH, 1OMe)-B(none)	Dihydrochalcone	2'-Methoxy-4'-hydroxydihydrochalcone
0.000	[Dihydrochalcone]-A(none)-B(1OH, 1OMe)	Dihydrochalcone	2-Methoxy-4-hydroxydihydrochalcone
0.000	[Pterocarpan]-A(1OH)-B(1OH)	Pterocarpan	Demethylmedicarpin
0.000	[Aurone]-A(none)-B(1Cl)	Aurone	4'-Chloroaurone
0.000	[UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone]-A(1OMe)-B(none)	UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone	Lucidone
0.000	[Flavan]-A(1OH)-B(1OMe)	Flavan	Broussin
0.000	[Flavan]-A(1OMe)-B(1OH)	Flavan	4'-Hydroxy-7-methoxyflavan
0.000	[Flavan]-A(1OH, 1Methyl)-B(1OH)	Flavan	7,4'-Dihydroxy-8-methylflavan
0.000	[Flavan]-A(1OH, 1OMe)-B(none)	Flavan	7-Hydroxy-5-methoxyflavan
0.000	[isoflavene]-A(1OH)-B(2OH)	isoflavene	Haginin D
0.000	[2-Phenylbenzofuran]-A(1OH)-B(1OH, 1OMe)	2-Phenylbenzofuran	6-Demethylvignafuran
0.000	[2-Phenylbenzofuran]-A(1OH)-B(1OH, 1OMe)	2-Phenylbenzofuran	Centrolobofuran
0.000	[Dalbergiquinol]-A(2OH, 1OMe)-B(none)	Dalbergiquinol	Obtusaquinol