ピーク情報
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しそ 葉 生
pos
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| Peak #7457 MN MID: SE113_S060951_M90 |
| m/z: 535.14489, RT: 56.28, 強度: 53597, ログ強度: 1.16, 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: (10 names) Malvidin 3-(6-acetylglucoside);6,8-Di-C-beta-D-arabinopyranosylapigenin;Ruberythric acid;Parthenosin;Quercetin 3-(6''-n-butylglucuronide);2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-... |
| DBごとのヒット数: ALL 8 KN 6 HM 1 LM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.222 |
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 |
|---|---|---|---|---|
| C25H26O13 | 534.13734 | 0.512 | Malvidin 3-(6''-acetylglucoside) | FlavonoidViewer: [1]FL7AAIGL0010 HMDB: [1]HMDB0038008, [1]HMDB0301662 KNApSAcK: [1]C00006901 LipidMAPS: [1]LMPK12010381 |
| C25H26O13 | 534.13734 | 0.512 | 6,8-Di-C-beta-D-arabinopyranosylapigenin | FlavonoidViewer: FL3FAACS0011, FL3FAACS0045, FL3FAACS0046, FL3FAACS0068, FL3FAACS0069 HMDB: HMDB0301879 KNApSAcK: C00006166, C00006372, C00006375, C00014029, C00014030 LipidMAPS: LMPK12110204, LMPK12110238, LMPK12110239 |
| C25H26O13 | 534.13734 | 0.512 | Ruberythric acid | HMDB: HMDB0257353 |
| C25H26O13 | 534.13734 | 0.512 | Parthenosin | FlavonoidViewer: FL5FACGS0094 KNApSAcK: C00013866 LipidMAPS: LMPK12110564 |
| C25H26O13 | 534.13734 | 0.512 | Okanin 4'-O-(4'',6''-di-O-acetylglucoside) | FlavonoidViewer: FL1C3CGS0021 KNApSAcK: C00014509 LipidMAPS: LMPK12120175 |
| C25H26O13 | 534.13734 | 0.512 | Rhamnazin 3-(6''-acetylglucoside) | FlavonoidViewer: FL5FCDGL0003 KNApSAcK: C00006018 LipidMAPS: LMPK12112635 |
| C25H26O13 | 534.13734 | 0.512 | LipidMAPS: LMPR0102070048 |
|
| C25H26O13 | 534.13734 | 0.512 | 6,9-Dihydroxy-2,310-trimethoxy-6a,12a-didehydrorotenone 9-O-glucoside | KNApSAcK: C00019717 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 535.14429 |
| Splash: splash10-000i-0090000000-7c19ccf9ff88c4bbc4de |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 287.07 | 26848 | 248 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(C-Arabinosyl), 1(C-Xylosyl))-B(1OH) | Flavone | 6-C-beta-D-Xylopyranosyl-8-C-alpha-L-arabinopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH) | Flavone | 6,8-Di-C-alpha-L-arabinopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH) | Flavone | 6,8-Di-C-beta-D-arabinopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH) | Flavone | 6-C-alpha-L-Arabinopyranosyl-8-C-beta-L-arabinopyranosylapigenin |
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH) | Flavone | 6-C-beta-L-Arabinopyranosyl-8-C-alpha-L-arabinopyranosylapigenin |
| 0.000 | [Isoflavanone]-A(2OH, 1(C-Glu))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano))) | Isoflavanone | Dalpanin |
| Level: 3, プリカーサーm/z: 287.07446 |
| Splash: splash10-001i-0900000000-835f810596b466d44b85 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 182.96 | 8994 | 104 | 1000 |
| 130.90 | 819 | 156 | 91 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.222 | [2'-Hydroxychalcone]-A(3OH, 1OMe)-B(none) | 2'-Hydroxychalcone | 2',3',4'-dihydroxy-6'-methoxychalcone |
| 0.182 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | 5-Methoxydihydrobaicalein |
| 0.182 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | Dihydrooroxylin A |
| 0.182 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | 5,8-Dihydroxy-7-methoxyflavanone |
| 0.182 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | Dihydrowogonin |
| 0.000 | [Flavone]-A(1OH)-B(3OH) | Flavone | 7,3',4',5'-Tetrahydroxyflavone |
| 0.000 | [Flavone]-A(2OH)-B(2OH) | Flavone | 5,7,2',5'-Tetrahydroxyflavone |
| 0.000 | [Flavone]-A(2OH)-B(2OH) | Flavone | 5,7,2',6'-Tetrahydroxyflavone |
| 0.000 | [Flavone]-A(2OH)-B(2OH) | Flavone | 5,7,2',3'-Tetrahydroxyflavone |
| 0.000 | [Flavone]-A(2OH)-B(2OH) | Flavone | Luteolin |
| 0.000 | [Flavone]-A(2OH)-B(2OH) | Flavone | Norartocarpetin |
| 0.000 | [Flavone]-A(3OH)-B(1OH) | Flavone | 5,6,7,2'-Tetrahydroxyflavone |
| 0.000 | [Flavone]-A(3OH)-B(1OH) | Flavone | Scutellarein |
| 0.000 | [Flavone]-A(3OH)-B(1OH) | Flavone | 5,7,8,2'-Tetrahydroxyflavone |
| 0.000 | [Flavone]-A(3OH)-B(1OH) | Flavone | Isoscutellarein |
| 0.000 | [Chalcone]-A(1OH)-B(2OH, 1OMe) | Chalcone | Licochalcone B |
| 0.000 | [Chalcone]-A(1OH, 1OMe)-B(2OH) | Chalcone | Sappanchalcone |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin 3-methyl ether |
| 0.000 | [Anthocyanidin]-A(2OH)-B(2OH) | Anthocyanidin | Cyanidin |
| 0.000 | [Anthocyanidin]-A(3OH)-B(1OH) | Anthocyanidin | Aurantinidin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(none) | Dihydroflavonol | Pinobanksin 5-methyl ether |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(none) | Dihydroflavonol | Alpinone |
| 0.000 | [Dihydroflavonol]-A(1OH)-B(1OMe) | Dihydroflavonol | Garbanzol 4'-methyl ether |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(none) | Dihydroflavonol | 3,7-Dihydroxy-6-methoxyflavanone |
| 0.000 | [Flavanone]-A(2OH)-B(1OMe) | Flavanone | 5,6-Dihydroxy-4'-methoxyflavanone |
| 0.000 | [Flavanone]-A(2OH)-B(1OMe) | Flavanone | Isosakuranetin |
| 0.000 | [Flavanone]-A(1OH, 1OMe)-B(1OH) | Flavanone | Dihydroechioidinin |
| 0.000 | [Flavanone]-A(1OH, 1OMe)-B(1OH) | Flavanone | Naringenin 5-methyl ether |
| 0.000 | [Flavanone]-A(1OH, 1OMe)-B(1OH) | Flavanone | Sakuranetin |
| 0.000 | [Isoflavan]-A(1OH)-B(2OMe) | Isoflavan | Sativan |
| 0.000 | [Isoflavan]-A(1OMe)-B(1OH, 1OMe) | Isoflavan | Isosativan |
| 0.000 | [Isoflavan]-A(1OMe)-B(1OH, 1OMe) | Isoflavan | Arvensan |
| 0.000 | [Dihydrochalcone]-A(1OH, 2OMe)-B(none) | Dihydrochalcone | Dihydroflavokawin B |
| 0.000 | [Dihydrochalcone]-A(2OMe)-B(1OH) | Dihydrochalcone | 4-Hydroxy-2',4'-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(2OMe) | Dihydrochalcone | 4'-Hydroxy-2,6-dimethoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(2OMe) | Dihydrochalcone | Loureirin A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Kukulkanin B |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | 2,2',6'-Trihydroxy-4'-methoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | 2,2',4'-Trihydroxy-6'-methoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Neosakuranetin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Helichrysetin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(2OH) | 2'-Hydroxychalcone | Calythropsin |
| 0.000 | [2'-Hydroxychalcone]-A(3OH)-B(1OMe) | 2'-Hydroxychalcone | 2',4',6'-Trihydroxy-4-methoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | Homobutein |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 3,2',4'-Trihydroxy-4-methoxychalcone |
| 0.000 | [Isoflavone]-A(2OH)-B(2OH) | Isoflavone | 7,8,2',4'-Tetrahydroxyisoflavone |
| 0.000 | [Isoflavone]-A(2OH)-B(2OH) | Isoflavone | Orobol |
| 0.000 | [Isoflavone]-A(2OH)-B(2OH) | Isoflavone | 2'-Hydroxygenistein |
| 0.000 | [Isoflavone]-A(1OH)-B(3OH) | Isoflavone | Baptigenin |
| 0.000 | [Isoflavone]-A(3OH)-B(1OH) | Isoflavone | 6-Hydroxygenistein |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH) | Pterocarpan | Melilotocarpan B |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH) | Pterocarpan | Desmocarpin |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Nissolin |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Vesticarpan |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Kushenin |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | 3,8-Dihydroxy-9-methoxypterocarpan |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Nissicarpin |
| 0.000 | [Pterocarpan]-A(2OH)-B(1OMe) | Pterocarpan | 4-Hydroxymedicarpin |
| 0.000 | [Flavonol]-A(2OH)-B(1OH) | Flavonol | 3,7,8,4'-Tetrahydroxyflavone |
| 0.000 | [Flavonol]-A(2OH)-B(1OH) | Flavonol | Kaempferol |
| 0.000 | [Flavonol]-A(1OH)-B(2OH) | Flavonol | Fisetin |
| 0.000 | [Flavonol]-A(2OH)-B(1OH) | Flavonol | Datiscetin |
| 0.000 | [Flavonol]-A(3OH)-B(none) | Flavonol | 6-Hydroxygalangin |
| 0.000 | [Flavonol]-A(3OH)-B(none) | Flavonol | 8-Hydroxygalangin |
| 0.000 | [Isoflavanone]-A(2OH)-B(1OMe) | Isoflavanone | Dihydrobiochanin A |
| 0.000 | [Isoflavanone]-A(1OH)-B(1OH, 1OMe) | Isoflavanone | 3'-Hydroxydihydroformononetin |
| 0.000 | [Isoflavanone]-A(1OH)-B(1OH, 1OMe) | Isoflavanone | Vestitone |
| 0.000 | [Aurone]-A(2OH)-B(2OH) | Aurone | Maritimetin |
| 0.000 | [Aurone]-A(2OH)-B(2OH) | Aurone | Aureusidin |
| 0.000 | [Aurone]-A(3OH)-B(1OH) | Aurone | Helmon |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1OMe)-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | Licodione 2'-methyl ether |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 2',6',beta-Trihydroxy-4'-methoxychalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 2',4',beta-Trihydroxy-6'-methoxychalcone |
| 0.000 | [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 |
| 0.000 | [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 |
| 0.000 | [Dihydrochalcone]-A(2OH)-B(1([@@]-Methylenedioxy)) | Dihydrochalcone | 2',4'-Dihydroxy-3,4-methylenedioxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(none) | Dihydrochalcone | Myrigalone H |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxy-3'-methyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1Formyl)-B(none) | Dihydrochalcone | 3'-Formyl-2',4',6'-trihydroxydihydrochalcone |
| 0.000 | [Flavanone]-A(2OH, 1Methyl)-B(1OH) | Flavanone | Poriol |
| 0.000 | [3-substituted Flavanone (3-Methyl)]-A(2OH)-B(1OH) | 3-substituted Flavanone | 3-Methylnaringenin |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(none) | Dihydroflavonol | 6-Methypinobanksin |
| 0.000 | [Flavan 3-ol]-A(1OMe, 1Methyl)-B(1OH) | Flavan 3-ol | Tupichinol A |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavan]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavan | Peltogynan |
| 0.000 | [Flavan]-A(1OMe)-B(1OH, 1OMe) | Flavan | 4'-Hydroxy-7,3'-dimethoxyflavan |
| 0.000 | [Flavan]-A(1OH, 1Methyl)-B(1OH, 1OMe) | Flavan | 7,3'-Dihydroxy-4'-methoxy-8-methylflavan |
| 0.000 | [Flavan]-A(1OH, 1Methyl)-B(1OH, 1OMe) | Flavan | 7,4'-Dihydroxy-3'-methoxy-8-methylflavan |
| 0.000 | [Flavan]-A(1OH, 1OMe)-B(1OMe) | Flavan | 7-Hydroxy-5,4'-dimethoxyflavan |
| 0.000 | [Flavan]-A(1OH, 1OMe)-B(1OMe) | Flavan | 5-Hydroxy-7,4'-dimethoxyflavan |
| 0.000 | [Flavan]-A(2OMe)-B(1OH) | Flavan | 4'-Hydroxy-5,7-dimethoxyflavan |
| 0.000 | [Flavan]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Flavan | 5,4'-Dihydroxy-7'-methoxy-8-methylflavan |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH)-B(3OH) | 3-DehydroxyAnthocyanidin | Tricetinidin |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH)-B(1OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Claussequinone |
| 0.000 | [isoflavene]-A(1OH)-B(2OH, 1OMe) | isoflavene | Sepiol |
| 0.000 | [isoflavene]-A(1OH)-B(2OH, 1OMe) | isoflavene | Haginin C |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OMe) | Pterocarpan-6a-ol | 6a-Hydroxymedicarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OMe)-B(1OH) | Pterocarpan-6a-ol | 6a-Hydroxyisomedicarpin |
| 0.000 | [2-Phenylbenzofuran]-A(1OH, 1OMe)-B(1OH, 1OMe) | 2-Phenylbenzofuran | Sainfuran |
| 0.000 | [2-Phenylbenzofuran]-A(2OMe)-B(2OH) | 2-Phenylbenzofuran | 2',4'-Dihydroxy-5,6-dimethoxy-2-phenylbenzofuran |
| 0.000 | [2-Phenylbenzofuran]-A(1OH)-B(1OH, 2OMe) | 2-Phenylbenzofuran | Pterofuran |
| 0.000 | [2-Phenylbenzofuran]-A(1OH)-B(1OH, 2OMe) | 2-Phenylbenzofuran | Isopterofuran |
| 0.000 | [alpha-Methyldeoxybenzoin]-A(1OH, 1OMe)-B(1OMe) | alpha-Methyldeoxybenzoin | 2-O-Methylangolensin |
| 0.000 | [alpha-Methyldeoxybenzoin]-A(1OH, 1OMe)-B(1OMe) | alpha-Methyldeoxybenzoin | 4-O-Methylangolensin |
| 0.000 | [4-phenylcoumarin]-A(2OH)-B(2OH) | 4-phenylcoumarin | 5,7,3',4'-Tetrahydroxy-4-phenylcoumarin |
| 0.000 | [[3,2']-Methano-4-phenylchroman (3-OH)]-A(1OH)-B(2OH) | [3,2']-Methano-4-phenylchroman | Brazilin |
| 0.000 | [Dalbergiquinol]-A(1OH, 2OMe)-B(1OH) | Dalbergiquinol | Latifolin |
| 0.000 | [Dalbergiquinol]-A(1OH, 2OMe)-B(1OH) | Dalbergiquinol | 5,3'-Dihydroxy-2,4-dimethoxydalbergiquinol |
| 0.000 | [Dalbergiquinol]-A(2OH, 2OMe)-B(none) | Dalbergiquinol | 2,5-Dihydroxy-3,4-dimethoxydalbergiquinol |