ピーク情報

トマト Micro-Tom 花

pos

Peak #849 MN MID: SE203_S31_M90

m/z: 441.17582, RT: 11.63, 強度: 45195, ログ強度: 1.00, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (11 names) [3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid;Cichorioside I;gamma-CEHC glucuronide...

DBごとのヒット数: ALL 10 KN 9 HM 1

FlavonoidSearch最大スコア MS2: 0.059, MS3: -

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
C21H28O10	440.16825	0.665	[3aR-(3aR,5E,7R,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid	KNApSAcK: C00012389
C21H28O10	440.16825	0.665	Cichorioside I	HMDB: HMDB0302055 KNApSAcK: C00029955
C21H28O10	440.16825	0.665	gamma-CEHC glucuronide	HMDB: HMDB0242175
C21H28O10	440.16825	0.665	Dictamnusine	KNApSAcK: C00039017
C21H28O10	440.16825	0.665	Cichorioside G	HMDB: HMDB0302053 KNApSAcK: C00029953
C21H28O10	440.16825	0.665	Taraxafolide	KNApSAcK: C00031403
C21H28O10	440.16825	0.665	Cichorioside H	HMDB: HMDB0302054 KNApSAcK: C00029954
C21H28O10	440.16825	0.665	Cichorioside F	HMDB: HMDB0302052 KNApSAcK: C00029952
C21H28O10	440.16825	0.665	Cichorioside B	HMDB: HMDB0302050 KNApSAcK: C00029949
C21H28O10	440.16825	0.665	15-O-beta-D-Glucopyranosylurospermal A	KNApSAcK: C00036420

MSnスペクトル情報

Level: 2, プリカーサーm/z: 441.17566

Splash: splash10-052o-0090000000-1f71d7ea76781f100350

m/z	Int.	NL	Rel.Int.
240.06	25533	201	1000
287.14	24280	154	950
258.17	22186	183	868
184.01	4947	257	193
423.23	2144	18	83
272.15	1365	169	53

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.059	[Dihydroflavonol]-A(2OH, 2(C-Prenyl))-B(2OH)	Dihydroflavonol	Kushenol L
0.053	[Flavanone]-A(2OH, 2(C-Prenyl))-B(3OH)	Flavanone	Kenusanone B
0.000	[Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Dihydrochalcone	3,2',4',6'-Tetrahydroxy-4-methoxy-3',5-diprenyldihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH)	Dihydrochalcone	3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone
0.000	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe, 1(3-Hydroxy-3-methylbutyl))	Flavanone	5,7-Dihydroxy-4'-methoxy-8-C-prenyl-3'-(3-hydroxy-3-methylbutyl)flavanone
0.000	[Flavanone]-A(2([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)) )-B(1OH)	Flavanone	Lonchocarpol E
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH)	Flavanone	2'',3''-Dihydroxylupinifolin
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(2-hydroxy-3-methyl-3-butenyl))-B(2OH)	Flavanone	Dorsmanin H
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Flavanone	Dorsmanin F
0.000	[Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH)	Flavanone	Dorsmanin G
0.000	[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Flavanone	Abyssinoflavanone V
0.000	[Flavanone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethyldihydropyrano)), 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Flavanone	Abyssinoflavanone VI
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(3OH)	Flavanone	Sophoraflavanone D
0.000	[Flavanone]-A(2OH, 1Geranyl)-B(3OH)	Flavanone	Sophoraflavanone E
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone C
0.000	[Flavanone]-A(2OH, 1Lavandulyl)-B(3OH)	Flavanone	Exiguaflavanone G
0.000	[Dihydroflavonol]-A(2OH, 1Geranyl)-B(2OH)	Dihydroflavonol	Diplacol
0.000	[Dihydroflavonol]-A(2OH, 1Lavandulyl)-B(2OH)	Dihydroflavonol	Kushenol X
0.000	[Flavan 3-ol]-A(1OH)-B(3OH)	Flavan 3-ol	6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
0.000	[Flavan 3-ol]-A(2OH)-B(1OH, 1([3,4:@@]-(5,6,7-Trihydroxy-1-oxoisochromene)))	Flavan 3-ol	Amurensisin
0.000	[12a-Hydroxyrotenone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	12a-Hydroxyrotenone	12a-Hydroxyerythynone

Level: 3, プリカーサーm/z: 287.19620

Splash: splash10-0udi-0900000000-f37a404b11c0f13bfe1e

m/z	Int.	NL	Rel.Int.
103.92	14172	183	1000

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH)-B(3OH)	Flavone	7,3',4',5'-Tetrahydroxyflavone
[Flavone]-A(2OH)-B(2OH)	Flavone	5,7,2',5'-Tetrahydroxyflavone
[Flavone]-A(2OH)-B(2OH)	Flavone	5,7,2',6'-Tetrahydroxyflavone
[Flavone]-A(2OH)-B(2OH)	Flavone	5,7,2',3'-Tetrahydroxyflavone
[Flavone]-A(2OH)-B(2OH)	Flavone	Luteolin
[Flavone]-A(2OH)-B(2OH)	Flavone	Norartocarpetin
[Flavone]-A(3OH)-B(1OH)	Flavone	5,6,7,2'-Tetrahydroxyflavone
[Flavone]-A(3OH)-B(1OH)	Flavone	Scutellarein
[Flavone]-A(3OH)-B(1OH)	Flavone	5,7,8,2'-Tetrahydroxyflavone
[Flavone]-A(3OH)-B(1OH)	Flavone	Isoscutellarein
[Chalcone]-A(1OH)-B(2OH, 1OMe)	Chalcone	Licochalcone B
[Chalcone]-A(1OH, 1OMe)-B(2OH)	Chalcone	Sappanchalcone
[Dihydroflavonol (3-OMe)]-A(2OH)-B(none)	Dihydroflavonol	Pinobanksin 3-methyl ether
[Anthocyanidin]-A(2OH)-B(2OH)	Anthocyanidin	Cyanidin
[Anthocyanidin]-A(3OH)-B(1OH)	Anthocyanidin	Aurantinidin
[Dihydroflavonol]-A(1OH, 1OMe)-B(none)	Dihydroflavonol	Pinobanksin 5-methyl ether
[Dihydroflavonol]-A(1OH, 1OMe)-B(none)	Dihydroflavonol	Alpinone
[Dihydroflavonol]-A(1OH)-B(1OMe)	Dihydroflavonol	Garbanzol 4'-methyl ether
[Dihydroflavonol]-A(1OH, 1OMe)-B(none)	Dihydroflavonol	3,7-Dihydroxy-6-methoxyflavanone
[Flavanone]-A(2OH)-B(1OMe)	Flavanone	5,6-Dihydroxy-4'-methoxyflavanone
[Flavanone]-A(2OH)-B(1OMe)	Flavanone	Isosakuranetin
[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	5-Methoxydihydrobaicalein
[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	Dihydrooroxylin A
[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	5,8-Dihydroxy-7-methoxyflavanone
[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	Dihydrowogonin
[Flavanone]-A(1OH, 1OMe)-B(1OH)	Flavanone	Dihydroechioidinin
[Flavanone]-A(1OH, 1OMe)-B(1OH)	Flavanone	Naringenin 5-methyl ether
[Flavanone]-A(1OH, 1OMe)-B(1OH)	Flavanone	Sakuranetin
[Isoflavan]-A(1OH)-B(2OMe)	Isoflavan	Sativan
[Isoflavan]-A(1OMe)-B(1OH, 1OMe)	Isoflavan	Isosativan
[Isoflavan]-A(1OMe)-B(1OH, 1OMe)	Isoflavan	Arvensan
[Dihydrochalcone]-A(1OH, 2OMe)-B(none)	Dihydrochalcone	Dihydroflavokawin B
[Dihydrochalcone]-A(2OMe)-B(1OH)	Dihydrochalcone	4-Hydroxy-2',4'-dimethoxydihydrochalcone
[Dihydrochalcone]-A(1OH)-B(2OMe)	Dihydrochalcone	4'-Hydroxy-2,6-dimethoxydihydrochalcone
[Dihydrochalcone]-A(1OH)-B(2OMe)	Dihydrochalcone	Loureirin A
[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Kukulkanin B
[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	2,2',6'-Trihydroxy-4'-methoxychalcone
[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	2,2',4'-Trihydroxy-6'-methoxychalcone
[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Neosakuranetin
[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Helichrysetin
[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(2OH)	2'-Hydroxychalcone	Calythropsin
[2'-Hydroxychalcone]-A(3OH)-B(1OMe)	2'-Hydroxychalcone	2',4',6'-Trihydroxy-4-methoxychalcone
[2'-Hydroxychalcone]-A(3OH, 1OMe)-B(none)	2'-Hydroxychalcone	2',3',4'-dihydroxy-6'-methoxychalcone
[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	Homobutein
[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	3,2',4'-Trihydroxy-4-methoxychalcone
[Isoflavone]-A(2OH)-B(2OH)	Isoflavone	7,8,2',4'-Tetrahydroxyisoflavone
[Isoflavone]-A(2OH)-B(2OH)	Isoflavone	Orobol
[Isoflavone]-A(2OH)-B(2OH)	Isoflavone	2'-Hydroxygenistein
[Isoflavone]-A(1OH)-B(3OH)	Isoflavone	Baptigenin
[Isoflavone]-A(3OH)-B(1OH)	Isoflavone	6-Hydroxygenistein
[Pterocarpan]-A(1OH, 1OMe)-B(1OH)	Pterocarpan	Melilotocarpan B
[Pterocarpan]-A(1OH, 1OMe)-B(1OH)	Pterocarpan	Desmocarpin
[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Nissolin
[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Vesticarpan
[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Kushenin
[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	3,8-Dihydroxy-9-methoxypterocarpan
[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Nissicarpin
[Pterocarpan]-A(2OH)-B(1OMe)	Pterocarpan	4-Hydroxymedicarpin
[Flavonol]-A(2OH)-B(1OH)	Flavonol	3,7,8,4'-Tetrahydroxyflavone
[Flavonol]-A(2OH)-B(1OH)	Flavonol	Kaempferol
[Flavonol]-A(1OH)-B(2OH)	Flavonol	Fisetin
[Flavonol]-A(2OH)-B(1OH)	Flavonol	Datiscetin
[Flavonol]-A(3OH)-B(none)	Flavonol	6-Hydroxygalangin
[Flavonol]-A(3OH)-B(none)	Flavonol	8-Hydroxygalangin
[Isoflavanone]-A(2OH)-B(1OMe)	Isoflavanone	Dihydrobiochanin A
[Isoflavanone]-A(1OH)-B(1OH, 1OMe)	Isoflavanone	3'-Hydroxydihydroformononetin
[Isoflavanone]-A(1OH)-B(1OH, 1OMe)	Isoflavanone	Vestitone
[Aurone]-A(2OH)-B(2OH)	Aurone	Maritimetin
[Aurone]-A(2OH)-B(2OH)	Aurone	Aureusidin
[Aurone]-A(3OH)-B(1OH)	Aurone	Helmon
[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1OMe)-B(1OH)	beta-Hydroxy(or Oxodihydro)chalcone	Licodione 2'-methyl ether
[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	2',6',beta-Trihydroxy-4'-methoxychalcone
[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	2',4',beta-Trihydroxy-6'-methoxychalcone
[UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone]-A(2OH)-B(1OH)	UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone	4,4',6'-Trihydroxy-[2',5']-benzoquinonechalcone
[UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone]-A(2OMe)-B(none)	UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone	Linderone
[Dihydrochalcone]-A(2OH)-B(1([@@]-Methylenedioxy))	Dihydrochalcone	2',4'-Dihydroxy-3,4-methylenedioxydihydrochalcone
[Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(none)	Dihydrochalcone	Myrigalone H
[Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(none)	Dihydrochalcone	2',6'-Dihydroxy-4'-methoxy-3'-methyldihydrochalcone
[Dihydrochalcone]-A(3OH, 1Formyl)-B(none)	Dihydrochalcone	3'-Formyl-2',4',6'-trihydroxydihydrochalcone
[Flavanone]-A(2OH, 1Methyl)-B(1OH)	Flavanone	Poriol
[3-substituted Flavanone (3-Methyl)]-A(2OH)-B(1OH)	3-substituted Flavanone	3-Methylnaringenin
[Dihydroflavonol]-A(2OH, 1Methyl)-B(none)	Dihydroflavonol	6-Methypinobanksin
[Flavan 3-ol]-A(1OMe, 1Methyl)-B(1OH)	Flavan 3-ol	Tupichinol A
[CCS-type derivative / [3,2']-Epoxymethanoflavan]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavan	Peltogynan
[Flavan]-A(1OMe)-B(1OH, 1OMe)	Flavan	4'-Hydroxy-7,3'-dimethoxyflavan
[Flavan]-A(1OH, 1Methyl)-B(1OH, 1OMe)	Flavan	7,3'-Dihydroxy-4'-methoxy-8-methylflavan
[Flavan]-A(1OH, 1Methyl)-B(1OH, 1OMe)	Flavan	7,4'-Dihydroxy-3'-methoxy-8-methylflavan
[Flavan]-A(1OH, 1OMe)-B(1OMe)	Flavan	7-Hydroxy-5,4'-dimethoxyflavan
[Flavan]-A(1OH, 1OMe)-B(1OMe)	Flavan	5-Hydroxy-7,4'-dimethoxyflavan
[Flavan]-A(2OMe)-B(1OH)	Flavan	4'-Hydroxy-5,7-dimethoxyflavan
[Flavan]-A(1OH, 1OMe, 1Methyl)-B(1OH)	Flavan	5,4'-Dihydroxy-7'-methoxy-8-methylflavan
[3-DehydroxyAnthocyanidin]-A(2OH)-B(3OH)	3-DehydroxyAnthocyanidin	Tricetinidin
[UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH)-B(1OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan	Claussequinone
[isoflavene]-A(1OH)-B(2OH, 1OMe)	isoflavene	Sepiol
[isoflavene]-A(1OH)-B(2OH, 1OMe)	isoflavene	Haginin C
[Pterocarpan-6a-ol]-A(1OH)-B(1OMe)	Pterocarpan-6a-ol	6a-Hydroxymedicarpin
[Pterocarpan-6a-ol]-A(1OMe)-B(1OH)	Pterocarpan-6a-ol	6a-Hydroxyisomedicarpin
[2-Phenylbenzofuran]-A(1OH, 1OMe)-B(1OH, 1OMe)	2-Phenylbenzofuran	Sainfuran
[2-Phenylbenzofuran]-A(2OMe)-B(2OH)	2-Phenylbenzofuran	2',4'-Dihydroxy-5,6-dimethoxy-2-phenylbenzofuran
[2-Phenylbenzofuran]-A(1OH)-B(1OH, 2OMe)	2-Phenylbenzofuran	Pterofuran
[2-Phenylbenzofuran]-A(1OH)-B(1OH, 2OMe)	2-Phenylbenzofuran	Isopterofuran
[alpha-Methyldeoxybenzoin]-A(1OH, 1OMe)-B(1OMe)	alpha-Methyldeoxybenzoin	2-O-Methylangolensin
[alpha-Methyldeoxybenzoin]-A(1OH, 1OMe)-B(1OMe)	alpha-Methyldeoxybenzoin	4-O-Methylangolensin
[4-phenylcoumarin]-A(2OH)-B(2OH)	4-phenylcoumarin	5,7,3',4'-Tetrahydroxy-4-phenylcoumarin
[[3,2']-Methano-4-phenylchroman (3-OH)]-A(1OH)-B(2OH)	[3,2']-Methano-4-phenylchroman	Brazilin
[Dalbergiquinol]-A(1OH, 2OMe)-B(1OH)	Dalbergiquinol	Latifolin
[Dalbergiquinol]-A(1OH, 2OMe)-B(1OH)	Dalbergiquinol	5,3'-Dihydroxy-2,4-dimethoxydalbergiquinol
[Dalbergiquinol]-A(2OH, 2OMe)-B(none)	Dalbergiquinol	2,5-Dihydroxy-3,4-dimethoxydalbergiquinol

Level: 3, プリカーサーm/z: 240.09219

Splash: splash10-001i-2900000000-27ba96467d9113699470

m/z	Int.	NL	Rel.Int.
181.04	5477	59	1000
85.93	2181	154	398
124.92	1283	115	234