ピーク情報

パセリ　葉

pos

Peak #6807 MN MID: SE61_S21_M90

m/z: 681.16650, RT: 48.66, 強度: 13095200, ログ強度: 3.53, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (13 names) Aesculin;Cichoriin;Sinapoyl-(S)-malate;Sinapoyl malate;Sinapoyl-(S)-malate;O-Coumaric acid glucuronide;Daphnetin glucoside;Vittarilide A;(+)-Vittarilide A;6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-t...

DBごとのヒット数: ALL 11 KG 4 KN 3 HM 4

FlavonoidSearch最大スコア MS2: -, MS3: 0.250

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
C15H16O9	340.07943	0.534	Aesculin	HMDB: HMDB0030820 KEGG: C09264 KNApSAcK: C00002472
C15H16O9	340.07943	0.534	Cichoriin	HMDB: HMDB0030821 KEGG: C09206 KNApSAcK: C00002458
C15H16O9	340.07943	0.534	Sinapoyl-(S)-malate	HMDB: [-2]HMDB0304485 KNApSAcK: C00007349
C15H16O9	340.07943	0.534	Sinapoyl malate	KEGG: C02887
C15H16O9	340.07943	0.534	O-Coumaric acid glucuronide	HMDB: HMDB0240548
C15H16O9	340.07943	0.534	Daphnetin glucoside	HMDB: HMDB0303778
C15H16O9	340.07943	0.534	Vittarilide A	KNApSAcK: C00043107
C15H16O9	340.07943	0.534	6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid	HMDB: HMDB0127983
C15H16O9	340.07943	0.534	Daphnin	KEGG: C01421 KNApSAcK: C00037003
C15H16O9	340.07943	0.534	p-Coumaric acid glucuronide	HMDB: HMDB0240550
C15H16O9	340.07943	0.534	Eucryphin	KNApSAcK: C00041517

MSnスペクトル情報

Level: 2, プリカーサーm/z: 681.16443

Splash: splash10-0udi-0009040000-70ba63a2aeaa87afab9f

m/z	Int.	NL	Rel.Int.
301.12	2502886	380	1000
549.15	1197898	132	478
286.12	221106	395	88
463.07	141390	218	56
595.18	128072	86	51

Level: 3, プリカーサーm/z: 301.12994

Splash: splash10-000i-0090000000-db29f3aaca16d0483d45

m/z	Int.	NL	Rel.Int.
286.05	997257	15	1000
287.12	181330	14	181

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.250	[Flavone]-A(1OH, 1OMe)-B(2OH)	Flavone	7,3',4'-Trihydroxy-6-methoxyflavone
0.250	[Flavone]-A(2OH)-B(1OH, 1OMe)	Flavone	5,7,2'-Trihydroxy-6'-methoxyflavone
0.250	[Flavone]-A(1OH, 1OMe)-B(2OH)	Flavone	5,2',6'-Trihydroxy-7-methoxyflavone
0.250	[Flavone]-A(2OH)-B(1OH, 1OMe)	Flavone	Chrysoeriol
0.250	[Flavone]-A(2OH)-B(1OH, 1OMe)	Flavone	Diosmetin
0.250	[Flavone]-A(1OH, 1OMe)-B(2OH)	Flavone	Luteolin 5-methyl ether
0.250	[Flavone]-A(1OH, 1OMe)-B(2OH)	Flavone	Luteolin 7-methyl ether
0.250	[Flavone]-A(1OH, 1OMe)-B(2OH)	Flavone	Artocarpetin
0.250	[Flavone]-A(2OH, 1OMe)-B(1OH)	Flavone	5,7,2'-Trihydroxy-6-methoxyflavone
0.250	[Flavone]-A(3OH)-B(1OMe)	Flavone	Scutellarein 4'-methyl ether
0.250	[Flavone]-A(2OH, 1OMe)-B(1OH)	Flavone	Hispidulin
0.250	[Flavone]-A(2OH, 1OMe)-B(1OH)	Flavone	Sorbifolin
0.250	[Flavone]-A(2OH, 1OMe)-B(1OH)	Flavone	5,8,2'-Trihydroxy-7-methoxyflavone
0.250	[Flavone]-A(2OH, 1OMe)-B(1OH)	Flavone	Scutevulin
0.250	[Flavone]-A(3OH)-B(1OMe)	Flavone	Takakin
0.250	[Flavone]-A(2OH, 1OMe)-B(1OH)	Flavone	Isocutellarein 7-methyl ether
0.250	[Flavone]-A(2OH, 1OMe)-B(1OH)	Flavone	Isoscutellarein 8-methyl ether
0.100	[2'-Hydroxychalcone]-A(2OH, 2OMe)-B(none)	2'-Hydroxychalcone	Pashanone
0.100	[2'-Hydroxychalcone]-A(2OH, 2OMe)-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-3',6'-dimethoxychalcone
0.100	[2'-Hydroxychalcone]-A(2OH, 2OMe)-B(none)	2'-Hydroxychalcone	2',3'-Dihydroxy-4',6'-dimethoxychalcone
0.100	[2'-Hydroxychalcone]-A(2OH)-B(2OMe)	2'-Hydroxychalcone	2',4'-Dihydroxy-3,4-dimethoxychalcone
0.100	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH)	2'-Hydroxychalcone	Heliannone A
0.100	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH)	2'-Hydroxychalcone	Flavokawin C
0.100	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OMe)	2'-Hydroxychalcone	Kukulkanin A
0.100	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OMe)	2'-Hydroxychalcone	Gymnogrammene
0.100	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OMe)	2'-Hydroxychalcone	2',4'-Dihydroxy-4,6'-dimethoxychalcone
0.083	[Chalcone]-A(1OH, 2OMe)-B(1OH)	Chalcone	4,4'-Dihydroxy-2',6'-dimethoxychalcone
0.083	[Chalcone]-A(1OMe)-B(2OH, 1OMe)	Chalcone	2,4-Dihydroxy-6,4'-dimethoxychalcone
0.083	[Flavanone]-A(2OMe)-B(1OH)	Flavanone	Naringenin 5,7-dimethyl ether
0.083	[Flavanone]-A(1OH, 2OMe)-B(none)	Flavanone	6-Hydroxy-5,7-dimethoxyflavanone
0.083	[Flavanone]-A(1OH, 2OMe)-B(none)	Flavanone	Onysilin
0.083	[Flavanone]-A(1OH, 2OMe)-B(none)	Flavanone	8-Hydroxy-5,7-dimethoxyflavanone
0.083	[Flavanone]-A(1OH, 2OMe)-B(none)	Flavanone	5-Hydroxy-7,8-dimethoxyflavanone
0.083	[Flavanone]-A(1OH, 1OMe)-B(1OMe)	Flavanone	Tsugafolin
0.083	[Flavanone]-A(1OH, 1OMe)-B(1OMe)	Flavanone	Naringenin 7,4'-dimethyl ether
0.077	[Anthocyanidin]-A(2OH)-B(1OH, 1OMe)	Anthocyanidin	Peonidin
0.077	[Anthocyanidin]-A(1OH, 1OMe)-B(2OH)	Anthocyanidin	5-Methoxycyanidin
0.067	[Flavonol]-A(1OH, 1OMe)-B(1OH)	Flavonol	Datin
0.067	[Flavonol]-A(1OH, 1OMe)-B(1OH)	Flavonol	Kaempferol 5-methyl ether
0.067	[Flavonol]-A(1OH, 1OMe)-B(1OH)	Flavonol	Rhamnocitrin
0.067	[Flavonol]-A(2OH, 1OMe)-B(none)	Flavonol	Alnusin
0.067	[Flavonol]-A(2OH, 1OMe)-B(none)	Flavonol	8-Hydroxygalangin 7-methyl ether
0.067	[Flavonol]-A(2OH, 1OMe)-B(none)	Flavonol	8-Methoxygalangin
0.067	[Flavonol]-A(1OH)-B(1OH, 1OMe)	Flavonol	Geraldol
0.067	[Flavonol]-A(1OH)-B(1OH, 1OMe)	Flavonol	Fisetin 4'-methyl ether
0.067	[Flavonol]-A(2OH)-B(1OMe)	Flavonol	3,6,7-Trihydroxy-4'-methoxyflavone
0.067	[Flavonol]-A(2OH)-B(1OMe)	Flavonol	Ptaeroxylol
0.067	[Flavonol]-A(2OH)-B(1OMe)	Flavonol	Kaempferide
0.056	[Isoflavone]-A(1OH)-B(2OH, 1OMe)	Isoflavone	Gliricidin
0.056	[Isoflavone]-A(1OH)-B(2OH, 1OMe)	Isoflavone	7,2',4'-Trihydroxy-3'-methoxyisoflavone
0.056	[Isoflavone]-A(1OH)-B(2OH, 1OMe)	Isoflavone	Koparin
0.056	[Isoflavone]-A(2OH, 1OMe)-B(1OH)	Isoflavone	7,8,4'-Trihydroxy-6-methoxyisoflavone
0.056	[Isoflavone]-A(2OH, 1OMe)-B(1OH)	Isoflavone	Tectorigenin
0.056	[Isoflavone]-A(2OH, 1OMe)-B(1OH)	Isoflavone	Isotectorigenin
0.056	[Isoflavone]-A(1OH, 1OMe)-B(2OH)	Isoflavone	Santal
0.056	[Isoflavone]-A(1OH, 1OMe)-B(2OH)	Isoflavone	Cajanin
0.056	[Isoflavone]-A(2OH)-B(1OH, 1OMe)	Isoflavone	7,8,3'-Trihydroxy-4'-methoxyisoflavone
0.056	[Isoflavone]-A(2OH)-B(1OH, 1OMe)	Isoflavone	3'-O-Methylorobol
0.056	[Isoflavone]-A(2OH)-B(1OH, 1OMe)	Isoflavone	Pratensein
0.056	[Isoflavone]-A(2OH)-B(1OH, 1OMe)	Isoflavone	2'-Hydroxybiochanin A
0.000	[Dihydroflavonol]-A(2OMe)-B(none)	Dihydroflavonol	5,7-Di-O-methylpinobanksin
0.000	[Coumestan]-A(2OH)-B(2OH)	Coumestan	Demethylwedelolactone
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1OMe)	Pterocarpan	2-Methoxymedicarpin
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1OMe)	Pterocarpan	Melilotocarpan A
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1OMe)	Pterocarpan	4-Methoxymedicarpin
0.000	[Pterocarpan]-A(1OH)-B(2OMe)	Pterocarpan	Methylnissolin
0.000	[Pterocarpan]-A(2OMe)-B(1OH)	Pterocarpan	Sparticarpin
0.000	[Pterocarpan]-A(1OMe)-B(1OH, 1OMe)	Pterocarpan	8-Hydroxy-3,9-dimethoxypterocarpan
0.000	[Pterocarpan]-A(1OMe)-B(1OH, 1OMe)	Pterocarpan	Fruticarpin
0.000	[Isoflavanone]-A(1OH)-B(2OMe)	Isoflavanone	3'-Methoxydihydroformononetin
0.000	[Isoflavanone]-A(1OH)-B(2OMe)	Isoflavanone	Sativanone
0.000	[Isoflavanone]-A(1OMe)-B(1OH, 1OMe)	Isoflavanone	Isosativanone
0.000	[Aurone]-A(1OH, 1OMe)-B(2OH)	Aurone	Leptosidin
0.000	[Aurone]-A(1OH, 1OMe)-B(2OH)	Aurone	Rengasin
0.000	[Aurone]-A(2OH, 1Methyl)-B(2OH)	Aurone	4,6,3',4'-Tetrahydroxy-5-methylaurone
0.000	[Aurone]-A(2OH, 1Methyl)-B(2OH)	Aurone	4,6,3',4'-Tetrahydroxy-7-methylaurone
0.000	[CCS-type derivative / [alpha,2]-Epoxymethanochalcone]-A(2OH)-B(2OH)	CCS-type derivative / [alpha,2]-Epoxymethanochalcone	Peltochalcone
0.000	[CCS-type derivative / [alpha,2]-Epoxymethanochalcone]-A(2OH)-B(2OH)	CCS-type derivative / [alpha,2]-Epoxymethanochalcone	Mopachalcone
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone]-A(2OH, 1OMe)-B(none)	UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone	Pedicinin
0.000	[UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone (alpha-OMe)]-A(2OMe)-B(none)	UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone	Methylliderone
0.000	[Dihydrochalcone]-A(1OH, 2OMe, 1Methyl)-B(none)	Dihydrochalcone	2'-Hydroxy-4',6'-dimethoxy-3'-methyldihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 2Methyl)-B(none)	Dihydrochalcone	Myrigalon B
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 2Methyl)-B(none)	Dihydrochalcone	Angoletin
0.000	[Dihydrochalcone]-A(3OH, 1Formyl, 1Methyl)-B(none)	Dihydrochalcone	3'-Formyl-2',4',6'-trihydroxy-5'-methyldihydrochalcone
0.000	[UBR-type derivative / 2',4',6'-trioxocyclohexanyl-type Dihydrochalcone]-A(3Methyl)-B(none)	UBR-type derivative / 2',4',6'-trioxocyclohexanyl-type Dihydrochalcone	2,2,4-Trimethyl-6-(1-oxo-3-phenylpropyl)-1,3,5-cyclohexanetrione
0.000	[Flavanone]-A(1OH, 1OMe, 1Methyl)-B(1OH)	Flavanone	5,4'-Dihydroxy-7-methoxy-6-methylflavanone
0.000	[Flavanone]-A(2OH, 1Methyl)-B(1OMe)	Flavanone	5,7-Dihydroxy-4'-methoxy-8-methylflavanone
0.000	[Flavanone]-A(1OH, 1OMe, 1Methyl)-B(1OH)	Flavanone	5,4'-Dihydroxy-7-methoxy-8-methylflavanone
0.000	[Flavanone]-A(2OH, 2Methyl)-B(1OH)	Flavanone	Farrerol
0.000	[Flavanone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH)	Flavanone	5,2'-Dihydroxy-6,7-methylenedioxyflavanone
0.000	[2-Hydroxyflavanone]-A(1OH, 1OMe, 1Methyl)-B(none)	2-Hydroxyflavanone	2,5-Dihydroxy-7-methoxy-6-methylflavanone
0.000	[2-Hydroxyflavanone]-A(1OH, 1OMe, 1Methyl)-B(none)	2-Hydroxyflavanone	2,5-Dihydroxy-7-methoxy-8-methylflavanone
0.000	[3-substituted Flavone (3-Methyl)]-A(2OH)-B(2OH)	3-substituted Flavone	3-C-Methylluteolin
0.000	[Flavone]-A(2OH, 1Methyl)-B(2OH)	Flavone	6-Methylluteolin
0.000	[Dihydroflavonol]-A(1OH, 1([@@]-Methylenedioxy))-B(none)	Dihydroflavonol	3,5-Dihydroxy-6,7-methylenedioxyflavanone
0.000	[CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone	Peltogynone
0.000	[CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone	Mopanone
0.000	[Flavonol (3-OMe)]-A(1OH)-B(2OH)	Flavonol	Fisetin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH)	Flavonol	6,7,4'-Trihydroxy-3-methoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH)	Flavonol	7,8,4'-Trihydroxy-3-methoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH)	Flavonol	Isokaempferide
0.000	[Flavonol]-A(2OH, 1Methyl)-B(1OH)	Flavonol	6-C-Methylkaempferol
0.000	[Flavonol]-A(2OH, 1Methyl)-B(1OH)	Flavonol	8-C-Methylkaempferol
0.000	[Flavonol]-A(3OH, 1Methyl)-B(none)	Flavonol	Isoplatanin
0.000	[Flavonol (3-OMe)]-A(3OH)-B(none)	Flavonol	8-Hydroxygalangin 3-methyl ether
0.000	[Flavonol]-A(3OH, 1Methyl)-B(none)	Flavonol	Platanin
0.000	[Flavan]-A(1OMe)-B(1OH, 1([@@]-Methylenedioxy))	Flavan	2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan
0.000	[Flavan]-A(2OMe)-B(1OMe)	Flavan	5,7,4'-Trimethoxyflavan
0.000	[Flavan]-A(2OMe, 1Methyl)-B(1OH)	Flavan	4'-Hydroxy-5,7-dimethoxy-8-methylflavan
0.000	[3-DehydroxyAnthocyanidin]-A(2OH, 1OMe)-B(2OH)	3-DehydroxyAnthocyanidin	5-Methyl-6-hydroxyluteolinidin
0.000	[Isoflavanone]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy))	Isoflavanone	Sophorol
0.000	[Isoflavan]-A(1OH)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavan	Astraciceran
0.000	[isoflavene]-A(1OH)-B(1OH, 2OMe)	isoflavene	2'-O-Methylsepiol
0.000	[isoflavene]-A(1OH)-B(1OH, 2OMe)	isoflavene	Haginin A
0.000	[isoflavene]-A(1OH)-B(1OH, 2OMe)	isoflavene	Odoriflavene
0.000	[isoflavene]-A(1OH, 1OMe)-B(1OH, 1OMe)	isoflavene	7,2'-Dihydroxy-8,4'-dimethoxyisoflav-3-ene
0.000	[Pterocarpan]-A(2OH)-B(1([@@]-Methylenedioxy))	Pterocarpan	2-Hydroxymaackiain
0.000	[Pterocarpan]-A(2OH)-B(1([@@]-Methylenedioxy))	Pterocarpan	4-Hydroxymaackiain
0.000	[Pterocarpan-6a-ol]-A(1OMe)-B(1OMe)	Pterocarpan-6a-ol	Homopisatin
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	6a-Hydroxymaackiain
0.000	[Pterocarpan-6-ol (6-OMe)]-A(1OH)-B(1OMe)	Pterocarpan-6-ol	Sophoracarpan A
0.000	[2-Phenylbenzofuran]-A(1OH, 1OMe)-B(2OMe)	2-Phenylbenzofuran	Methylsainfuran
0.000	[2-Phenylbenzofuran]-A(1([@@]-Methylenedioxy))-B(2OH, 1OMe)	2-Phenylbenzofuran	Sophorafuran A
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(2OH)	4-phenylcoumarin	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(2OH)	4-phenylcoumarin	7,3',4'-Trihydroxy-5-methoxy-4-phenylcoumarin
0.000	[Dalbergiquinol]-A(3OMe)-B(1OH)	Dalbergiquinol	5-O-Methyllatifolin
0.000	[UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OH)-B(2OMe)	UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol	4'-Hydroxy-3,4-dimethoxydalbergione
0.000	[UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(1OH, 1OMe)	UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol	3'-Hydroxy-4,4'-dimethoxydalbergione

Level: 3, プリカーサーm/z: 549.16162

Splash: splash10-0udi-0009200000-032c383d32f14f733351

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Acetyl-2,4,6-trihydroxy-5-methylbenzyl))-B(2OH)	2'-Hydroxychalcone	3,4-Dihydroxyrottlerin
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(none)	Flavone	Chrysin 6-C-glucoside-8-C-alpha-L-arabinopyranoside
[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(none)	Flavone	Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside
[Flavone]-A(1OH, 1OMe, 2(C-Arabinosyl))-B(1OH)	Flavone	Almeidein
[4-substituted Flavan (4-(1-dodecanoyl-2,4,6-trihydroxyphenyl))]-A(1OH)-B(1OH)	4-substituted Flavan	Myristinin A

m/z	Int.	NL	Rel.Int.
301.11	847192	248	1000
463.18	211966	86	250