ピーク情報
|
しそ 葉 生
pos
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| Peak #2834 MN MID: SE113_S060951_M90 |
| m/z: 773.19205, RT: 38.31, 強度: 52437, ログ強度: 1.15, 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: (14 names) Kaempferol 3-(6'''-caffeylglucosyl)-(1->2)-galactoside;Isoorientin 4'-O-glucoside-2''-O-(E)-caffeate;Cyanidin 3-glucoside 5-caffeoylglucoside;Luteolin 7-glucosyl-(1->6)-(4'''-caffeoylglucoside);Awoban... |
| DBごとのヒット数: ALL 13 KG 2 KN 11 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.412 |
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 |
|---|---|---|---|---|
| C36H36O19 | 772.18508 | -0.395 | Kaempferol 3-(6'''-caffeylglucosyl)-(1->2)-galactoside | FlavonoidViewer: FL5FAAGA0032 KNApSAcK: C00005875 LipidMAPS: LMPK12111693 |
| C36H36O19 | 772.18508 | -0.395 | Isoorientin 4'-O-glucoside-2''-O-(E)-caffeate | FlavonoidViewer: FL3FACDS0017 KNApSAcK: C00006330 LipidMAPS: LMPK12110550 |
| C36H36O19 | 772.18508 | -0.395 | Gentiocyanin A | FlavonoidViewer: [1]FL7AACGL0051 KEGG: [1]C16372 KNApSAcK: [1]C00006822 LipidMAPS: [1]LMPK12010160 |
| C36H36O19 | 772.18508 | -0.395 | Awobanin | FlavonoidViewer: [1]FL7AAGGL0021 HMDB: [1]HMDB0038000 KNApSAcK: [1]C00006884 LipidMAPS: [1]LMPK12010297 |
| C36H36O19 | 772.18508 | -0.395 | Luteolin 7-glucosyl-(1->6)-(4'''-caffeoylglucoside) | FlavonoidViewer: FL3FACGS0082 KNApSAcK: C00013667 LipidMAPS: LMPK12110716 |
| C36H36O19 | 772.18508 | -0.395 | Cyanidin 3-(2-glucosyl-6-caffeoylglucoside) | FlavonoidViewer: [1]FL7AACGL0104 KNApSAcK: [1]C00014760 LipidMAPS: [1]LMPK12010213 |
| C36H36O19 | 772.18508 | -0.395 | Implexaflavone | KNApSAcK: C00050122 |
| C36H36O19 | 772.18508 | -0.395 | 6-Hydroxyluteoin-7-(6'''-p-coumarylsophoroside) | FlavonoidViewer: FL3FECGS0021 KNApSAcK: C00004396 LipidMAPS: LMPK12111194 |
| C36H36O19 | 772.18508 | -0.395 | Kaempferol 3-caffeylsophoroside | FlavonoidViewer: FL5FAAGL0080 KNApSAcK: C00005881 LipidMAPS: LMPK12111802 |
| C36H36O19 | 772.18508 | -0.395 | Cyanidin 3-glucoside-3'-(6''-caffeylglucoside) | FlavonoidViewer: [1]FL7AACGL0058 KNApSAcK: [1]C00006829 LipidMAPS: [1]LMPK12010167 |
| C36H36O19 | 772.18508 | -0.395 | Cyanidin 3-(6''-caffeylglucoside)-5-glucoside | FlavonoidViewer: [1]FL7AACGL0050 HMDB: [1]HMDB0037983 KNApSAcK: [1]C00006821 LipidMAPS: [1]LMPK12010159 |
| C36H36O19 | 772.18508 | -0.395 | Delphinidin 3-glucoside-5-(6-(E)-p-coumaroylglucoside) | FlavonoidViewer: [1]FL7AAGGA0007, [1]FL7AAGGL0069 KEGG: [1]C16351 KNApSAcK: [1]C00006881, [1]C00014820 LipidMAPS: [1]LMPK12010266, [1]LMPK12010345 |
| C36H36O19 | 772.18508 | -0.395 | Quercetin 3-O-beta-(6''-O-E-p-coumaroylglucoside)-7-O-beta-glucoside | FlavonoidViewer: FL5FACGL0078 KNApSAcK: C00011129 LipidMAPS: LMPK12112163 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 773.19012 |
| Splash: splash10-03di-0020009000-8ecc06a13f49e78d0e45 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 611.12 | 25877 | 162 | 1000 |
| 287.07 | 6462 | 486 | 249 |
| 592.31 | 2410 | 181 | 93 |
| 449.13 | 1735 | 324 | 67 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 611.11652 |
| Splash: splash10-000i-0090000000-4eb42d4cd6eadc4be487 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 287.16 | 20246 | 324 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 2(C-Glu))-B(2OH) | Flavone | Lucenin 2 |
| 0.000 | [Isoflavone]-A(2OH, 2(C-Glu))-B(2OH) | Isoflavone | Orobol 6,8-di-C-glucoside |
| 0.000 | [Flavone]-A(2OH, 1(1(O-(E)-Caffeoyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 2''-O-(E)-caffeate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Caffeoyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 6''-O-caffeate |
| 0.000 | [Flavone]-A(2OH, 1((O-Caffeoyl)-C-Glu))-B(2OH) | Flavone | Isoorientin 2''-O-caffeate |
| 0.000 | [Flavone]-A(2OH, 1(1(O-Caffeoyl)-C-Glu))-B(2OH) | Flavone | Orientin 2''-O-caffeate |
| Level: 3, プリカーサーm/z: 287.07169 |
| Splash: splash10-000i-0190000000-b417293b9a2bac388c71 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 287.09 | 234 | -0 | 1000 |
| 231.09 | 64 | 56 | 271 |
| 259.14 | 38 | 28 | 160 |
| 212.96 | 26 | 74 | 111 |
| 258.54 | 22 | 29 | 95 |
| 185.04 | 20 | 102 | 87 |
| 165.12 | 18 | 122 | 78 |
| 189.26 | 14 | 98 | 59 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.412 | [Flavonol]-A(2OH)-B(1OH) | Flavonol | Datiscetin |
| 0.389 | [Flavonol]-A(2OH)-B(1OH) | Flavonol | 3,7,8,4'-Tetrahydroxyflavone |
| 0.389 | [Flavonol]-A(2OH)-B(1OH) | Flavonol | Kaempferol |
| 0.385 | [Anthocyanidin]-A(2OH)-B(2OH) | Anthocyanidin | Cyanidin |
| 0.385 | [Anthocyanidin]-A(3OH)-B(1OH) | Anthocyanidin | Aurantinidin |
| 0.385 | [Flavone]-A(1OH)-B(3OH) | Flavone | 7,3',4',5'-Tetrahydroxyflavone |
| 0.385 | [Flavone]-A(2OH)-B(2OH) | Flavone | 5,7,2',5'-Tetrahydroxyflavone |
| 0.385 | [Flavone]-A(2OH)-B(2OH) | Flavone | 5,7,2',6'-Tetrahydroxyflavone |
| 0.385 | [Flavone]-A(2OH)-B(2OH) | Flavone | 5,7,2',3'-Tetrahydroxyflavone |
| 0.385 | [Flavone]-A(2OH)-B(2OH) | Flavone | Luteolin |
| 0.385 | [Flavone]-A(2OH)-B(2OH) | Flavone | Norartocarpetin |
| 0.385 | [Flavone]-A(3OH)-B(1OH) | Flavone | 5,6,7,2'-Tetrahydroxyflavone |
| 0.385 | [Flavone]-A(3OH)-B(1OH) | Flavone | Scutellarein |
| 0.385 | [Flavone]-A(3OH)-B(1OH) | Flavone | 5,7,8,2'-Tetrahydroxyflavone |
| 0.385 | [Flavone]-A(3OH)-B(1OH) | Flavone | Isoscutellarein |
| 0.333 | [Flavonol]-A(3OH)-B(none) | Flavonol | 6-Hydroxygalangin |
| 0.333 | [Flavonol]-A(3OH)-B(none) | Flavonol | 8-Hydroxygalangin |
| 0.316 | [Flavonol]-A(1OH)-B(2OH) | Flavonol | Fisetin |
| 0.267 | [Isoflavone]-A(2OH)-B(2OH) | Isoflavone | 7,8,2',4'-Tetrahydroxyisoflavone |
| 0.267 | [Isoflavone]-A(2OH)-B(2OH) | Isoflavone | Orobol |
| 0.267 | [Isoflavone]-A(2OH)-B(2OH) | Isoflavone | 2'-Hydroxygenistein |
| 0.267 | [Isoflavone]-A(1OH)-B(3OH) | Isoflavone | Baptigenin |
| 0.267 | [Isoflavone]-A(3OH)-B(1OH) | Isoflavone | 6-Hydroxygenistein |
| 0.200 | [Chalcone]-A(1OH)-B(2OH, 1OMe) | Chalcone | Licochalcone B |
| 0.200 | [Chalcone]-A(1OH, 1OMe)-B(2OH) | Chalcone | Sappanchalcone |
| 0.182 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Nissolin |
| 0.182 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Vesticarpan |
| 0.182 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Kushenin |
| 0.182 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | 3,8-Dihydroxy-9-methoxypterocarpan |
| 0.182 | [Pterocarpan]-A(1OH)-B(1OH, 1OMe) | Pterocarpan | Nissicarpin |
| 0.143 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Kukulkanin B |
| 0.143 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | 2,2',6'-Trihydroxy-4'-methoxychalcone |
| 0.143 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | 2,2',4'-Trihydroxy-6'-methoxychalcone |
| 0.143 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Neosakuranetin |
| 0.143 | [2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH) | 2'-Hydroxychalcone | Helichrysetin |
| 0.143 | [2'-Hydroxychalcone]-A(1OH, 1OMe)-B(2OH) | 2'-Hydroxychalcone | Calythropsin |
| 0.143 | [2'-Hydroxychalcone]-A(3OH)-B(1OMe) | 2'-Hydroxychalcone | 2',4',6'-Trihydroxy-4-methoxychalcone |
| 0.143 | [2'-Hydroxychalcone]-A(3OH, 1OMe)-B(none) | 2'-Hydroxychalcone | 2',3',4'-dihydroxy-6'-methoxychalcone |
| 0.143 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | Homobutein |
| 0.143 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe) | 2'-Hydroxychalcone | 3,2',4'-Trihydroxy-4-methoxychalcone |
| 0.125 | [Flavanone]-A(2OH)-B(1OMe) | Flavanone | 5,6-Dihydroxy-4'-methoxyflavanone |
| 0.125 | [Flavanone]-A(2OH)-B(1OMe) | Flavanone | Isosakuranetin |
| 0.125 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | 5-Methoxydihydrobaicalein |
| 0.125 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | Dihydrooroxylin A |
| 0.125 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | 5,8-Dihydroxy-7-methoxyflavanone |
| 0.125 | [Flavanone]-A(2OH, 1OMe)-B(none) | Flavanone | Dihydrowogonin |
| 0.125 | [Flavanone]-A(1OH, 1OMe)-B(1OH) | Flavanone | Dihydroechioidinin |
| 0.125 | [Flavanone]-A(1OH, 1OMe)-B(1OH) | Flavanone | Naringenin 5-methyl ether |
| 0.125 | [Flavanone]-A(1OH, 1OMe)-B(1OH) | Flavanone | Sakuranetin |
| 0.091 | [Isoflavan]-A(1OH)-B(2OMe) | Isoflavan | Sativan |
| 0.083 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH) | Pterocarpan | Melilotocarpan B |
| 0.083 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH) | Pterocarpan | Desmocarpin |
| 0.083 | [Pterocarpan]-A(2OH)-B(1OMe) | Pterocarpan | 4-Hydroxymedicarpin |
| 0.083 | [Dihydroflavonol (3-OMe)]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin 3-methyl ether |
| 0.077 | [Dihydroflavonol]-A(1OH, 1OMe)-B(none) | Dihydroflavonol | Pinobanksin 5-methyl ether |
| 0.077 | [Dihydroflavonol]-A(1OH, 1OMe)-B(none) | Dihydroflavonol | Alpinone |
| 0.067 | [Isoflavanone]-A(2OH)-B(1OMe) | Isoflavanone | Dihydrobiochanin A |
| 0.067 | [Isoflavanone]-A(1OH)-B(1OH, 1OMe) | Isoflavanone | 3'-Hydroxydihydroformononetin |
| 0.067 | [Isoflavanone]-A(1OH)-B(1OH, 1OMe) | Isoflavanone | Vestitone |
| 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 | [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 | [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 |