ピーク情報
パセリ 葉
pos
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Peak #7155 MN MID: SE61_S21_M90 |
m/z: 549.12357, RT: 50.95, 強度: 580044, ログ強度: 2.18, アダクト: [M+H]+, 共有数(同様のピークを含むサンプル数): 3 |
DB検索結果: (8 names) Pratensein 7-O-(6''-malonylglucoside);Quercetin 3-(3'',6''-diacetylgalactoside);Chrysoeriol 7-O-(6''-malonyl-glucoside);Cyanidin 3-(6''-succinyl-glucoside);Kaempferol 7-(6''-p-succinylglucoside);Peoni... |
DBごとのヒット数: ALL 8 KN 8 |
FlavonoidSearch最大スコア MS2: -, MS3: 0.250 |
DB検索結果
ppm
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 |
---|---|---|---|---|
C25H24O14 | 548.11661 | -0.569 | Pratensein 7-O-(6''-malonylglucoside) | FlavonoidViewer: FLIAAEGS0002 KNApSAcK: C00010144 LipidMAPS: LMPK12050260 |
C25H24O14 | 548.11661 | -0.569 | Quercetin 3-(3'',6''-diacetylgalactoside) | FlavonoidViewer: FL5FACGA0034 KNApSAcK: C00005953 LipidMAPS: LMPK12112074 |
C25H24O14 | 548.11661 | -0.569 | Luteolin 3'-methyl ether 7-malonylglucoside | FlavonoidViewer: FL3FADGS0019 HMDB: HMDB0037455 KNApSAcK: C00004353 LipidMAPS: LMPK12110785 |
C25H24O14 | 548.11661 | -0.569 | Cyanidin 3-O-(6''-O-succinyl-beta-glucopyranoside) | FlavonoidViewer: [1]FL7AACGL0093 HMDB: [1]HMDB0029237 KNApSAcK: [1]C00011083 LipidMAPS: [1]LMPK12010202 |
C25H24O14 | 548.11661 | -0.569 | Kaempferol 7-(6''-p-succinylglucoside) | FlavonoidViewer: FL5FAAGS0058 KNApSAcK: C00005871 LipidMAPS: LMPK12111894 |
C25H24O14 | 548.11661 | -0.569 | Peonidin 3-(6''-malonylglucoside) | FlavonoidViewer: [1]FL7AADGL0012 HMDB: [1]HMDB0029241 KNApSAcK: [1]C00006860 LipidMAPS: [1]LMPK12010243 |
C25H24O14 | 548.11661 | -0.569 | Myricetin 3-(3'',4''-diacetylrhamnoside) | FlavonoidViewer: FL5FAGGS0034 HMDB: HMDB0029877 KNApSAcK: C00013976 LipidMAPS: LMPK12112466 |
C25H24O14 | 548.11661 | -0.569 | Luteolin 4'-methyl ether 7-(6''-malonylglucoside) | FlavonoidViewer: FL3FAEGS0008 KNApSAcK: C00004364 LipidMAPS: LMPK12110816 |
MSnスペクトル情報
Level: 2, プリカーサーm/z: 549.12274 |
Splash: splash10-0udi-0009200000-37062055440bc0e84af1 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
301.09 | 1015768 | 248 | 1000 |
463.06 | 257814 | 86 | 253 |
FlavonoidSearch結果
Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
---|---|---|---|
0.000 | [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 |
0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(none) | Flavone | Chrysin 6-C-glucoside-8-C-alpha-L-arabinopyranoside |
0.000 | [Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(none) | Flavone | Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside |
0.000 | [Flavone]-A(1OH, 1OMe, 2(C-Arabinosyl))-B(1OH) | Flavone | Almeidein |
0.000 | [4-substituted Flavan (4-(1-dodecanoyl-2,4,6-trihydroxyphenyl))]-A(1OH)-B(1OH) | 4-substituted Flavan | Myristinin A |
Level: 3, プリカーサーm/z: 301.13593 |
Splash: splash10-000i-0090000000-2925bfe617480fc31d11 |
m/z | Int. | NL | Rel.Int. |
---|---|---|---|
286.08 | 212897 | 15 | 1000 |
287.06 | 48639 | 14 | 228 |
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 |