ピーク情報
|
パセリ 根
pos
|
| Peak #3806 MN MID: SE61_S24_M90 |
| m/z: 359.13359, RT: 39.70, 強度: 18277, ログ強度: 0.77, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (19 names) Junipediol B 8-glucoside;Phlorisobutyrophenone 2-glucoside;Gardaloside;(-)-Gardaloside;Tarennoside;Isosweroside;Synargentolide D;Junipetrioloside A;10-Deoxygeniposidic acid;Veranisatin D;(-)-Veranisat... |
| DBごとのヒット数: ALL 15 KG 4 KN 10 HM 1 |
| FlavonoidSearch最大スコア MS2: 0.154, MS3: 0.065 |
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 |
|---|---|---|---|---|
| C16H22O9 | 358.12638 | -0.190 | Phlorisobutyrophenone 2-glucoside | HMDB: HMDB0029651 |
| C16H22O9 | 358.12638 | -0.190 | Junipediol B 8-glucoside | KNApSAcK: C00041021 |
| C16H22O9 | 358.12638 | -0.190 | Gardaloside | KNApSAcK: C00042538 |
| C16H22O9 | 358.12638 | -0.190 | Tarennoside | KEGG: C11654 KNApSAcK: C00010709 LipidMAPS: LMPR0102070042 |
| C16H22O9 | 358.12638 | -0.190 | Isosweroside | KNApSAcK: C00010763 |
| C16H22O9 | 358.12638 | -0.190 | Synargentolide D | KNApSAcK: C00044337 |
| C16H22O9 | 358.12638 | -0.190 | Junipetrioloside A | KNApSAcK: C00041024 |
| C16H22O9 | 358.12638 | -0.190 | 10-Deoxygeniposidic acid | KEGG: C11672 KNApSAcK: C00049601 |
| C16H22O9 | 358.12638 | -0.190 | Veranisatin D | KNApSAcK: C00047357 |
| C16H22O9 | 358.12638 | -0.190 | Grevilloside E | KNApSAcK: C00033895 |
| C16H22O9 | 358.12638 | -0.190 | Sweroside | HMDB: HMDB0258643 KEGG: C17071 KNApSAcK: C00010794 |
| C16H22O9 | 358.12638 | -0.190 | Carthamoside B6 | KNApSAcK: C00054074 |
| C16H22O9 | 358.12638 | -0.190 | Glucoacetosyringone | KNApSAcK: C00039279 |
| C16H22O9 | 358.12638 | -0.190 | Brasoside | KNApSAcK: C00010500 |
| C17H18O5N4 | 358.12772 | -3.925 | 202-791 | KEGG: C13762 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 359.13348 |
| Splash: splash10-0006-0109000000-8921eb15381a93debd53 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 341.04 | 2301 | 18 | 1000 |
| 313.04 | 640 | 46 | 278 |
| 323.17 | 290 | 36 | 125 |
| 311.09 | 223 | 48 | 96 |
| 137.03 | 200 | 222 | 87 |
| 291.20 | 197 | 68 | 85 |
| 187.07 | 182 | 172 | 79 |
| 179.05 | 170 | 180 | 73 |
| 329.11 | 163 | 30 | 70 |
| 163.10 | 143 | 196 | 62 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.154 | [Isoflavone]-A(1OH, 2OMe)-B(2OMe) | Isoflavone | Belamcandin |
| 0.111 | [Isoflavone]-A(1OH, 1OMe)-B(3OMe) | Isoflavone | 7-Hydroxy-6,2',4',5'-tetramethoxyisoflavone |
| 0.111 | [Isoflavone]-A(1OH, 1OMe)-B(3OMe) | Isoflavone | Robustigenin |
| 0.083 | [Flavonol]-A(2OMe)-B(2OMe) | Flavonol | Quercetin 5,7,3',4'-tetramethyl ether |
| 0.050 | [Chalcone]-A(5OMe)-B(none) | Chalcone | Pedicellin |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(3OMe) | Flavone | Prosogerin D |
| 0.000 | [Flavone]-A(2OMe)-B(1OH, 2OMe) | Flavone | 3'-Hydroxy-7,8,4',5'-tetramethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(3OMe) | Flavone | Corymbosin |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(3OMe) | Flavone | Isoetin 7,2',4',5'-tetramethyl ether |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OMe) | Flavone | 6-Hydroxyluteolin 5,6,3',4'-tetramethyl ether |
| 0.000 | [Flavone]-A(3OMe)-B(1OH, 1OMe) | Flavone | Ageconyflavone B |
| 0.000 | [Flavone]-A(3OMe)-B(1OH, 1OMe) | Flavone | 6-Hydroxyluteolin 5,6,7,4'-tetramethyl ether |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OMe) | Flavone | 6-Hydroxyluteolin 6,7,3',4'-tetramethyl ethe |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OMe) | Flavone | 5-Hydroxy-2',3',7,8-tetramethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OMe) | Flavone | 5-Hydroxy-2',3',7,8-tetramethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OMe) | Flavone | 5-hydroxy-7,8,2',5'-tetramethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OMe) | Flavone | Altisin |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OMe) | Flavone | Hypolaetin 7,8,3',4'-tetramethyl ether |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(2OMe) | Flavone | 2-(2,4-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxyflavone |
| 0.000 | [Flavone]-A(4OMe)-B(1OH) | Flavone | 4'-Hydroxy-5,6,7,8-tetramethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OMe) | Flavone | 7-Hydroxy-5,6,8,4'-tetramethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OMe) | Flavone | Gardenin B |
| 0.000 | [Aurone]-A(2OH, 1Methyl)-B(3OMe) | Aurone | 4,6-Dihydroxy-5-methyl-3',4',5'-trimethoxyaurone |
| 0.000 | [Aurone]-A(2OH, 1Methyl)-B(3OMe) | Aurone | 4,6-Dihydroxy-7-methyl-3',4',5'-trimethoxyaurone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OMe)-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Ponganone X |
| 0.000 | [Flavanone]-A(1OH, 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH) | Flavanone | Brosimacutin A |
| 0.000 | [Flavanone]-A(2OMe, 1Methyl)-B(2OMe) | Flavanone | 2',4',5,7-Tetramethoxy-8-methylflavanone |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone]-A(1OH, 1OMe, 2Methyl)-B(1OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone | Scaberin |
| 0.000 | [Flavone]-A(2OH, 2Methyl)-B(1OH, 2OMe) | Flavone | 5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-dimethylflavone |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavone | Linderoflavone A |
| 0.000 | [UBR-type derivative / [3',6']-Benzoquinonyl-type Flavone]-A(1OH, 1OMe)-B(2OMe) | UBR-type derivative / [3',6']-Benzoquinonyl-type Flavone | 5-Hydroxy-7,2',4'-trimethoxy-3',6'-diketoflavone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(1OH)-C(1(O-Isobutyroyl)) | Dihydroflavonol | 3,5,7,3'-Tetrahydroxyflavanone 3-O-Isobutyrate |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe)-B(1OH, 2OMe) | Flavonol | 4'-Hydroxy-3,7,3',5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OMe) | Flavonol | Santoflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OMe) | Flavonol | Quercetin 3,5,3',4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1OH, 1OMe) | Flavonol | Quercetin 3,5,7,3'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1OH, 1OMe) | Flavonol | Quercetin 3,5,7,4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OMe) | Flavonol | Retusin(Ariocarpus) |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1OMe) | Flavonol | 6-C-Methylquercetin 3,7,3'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1OMe) | Flavonol | 5,4'-Dihydroxy-3,7,3'-trimethoxy-8-methylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(2OH) | Flavonol | 2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6,8-dimethyl-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(1OH, 1OMe) | Flavonol | 5,7,4'-Trihydroxy-3,3'-dimethoxy-6,8-dimethylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OMe) | Flavonol | 6-Hydroxykaempferol 3,5,7,4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OMe) | Flavonol | Penduletin 4'-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe, 1Methyl)-B(1OH) | Flavonol | 8-C-Methyl-6-hydroxykaempferol 3,6,7-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Flavonol | 5,4'-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavonol]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Flavonol | 3,3'-Dihydroxy-5,4'-dimethoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 3,7-Dihydroxy-5,6-dimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OMe) | Flavonol | 5-Hydroxy-3,7,8,2'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OMe) | Flavonol | Flindulatin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe, 1Methyl)-B(1OH) | Flavonol | 5-Hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-6-methyl-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(none) | Flavonol | 5-Hydroxy-3,6,7,8-tetramethoxyflavone |
| 0.000 | [CCS-type derivative / [3,2']-Formyloxidoflavone]-A(2OH, 1OMe)-B(2OH) | CCS-type derivative / [3,2']-Formyloxidoflavone | Distemonanthin |
| 0.000 | [Flavan 3-ol]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavan 3-ol | 6-Prenylcatechin |
| 0.000 | [Flavan 3-ol]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavan 3-ol | 8-Prenylcatechin |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 2OMe) | Isoflavone | 5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(2OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Dalpalatin |
| 0.000 | [Isoflavanone]-A(1OH, 1(3-hydroxy-3-methylbutyl))-B(2OH) | Isoflavanone | 7,2',4'-Trihydroxy-8-(3-hydroxy-3-methylbutyl)isoflavanone |
| 0.000 | [Rotenone]-A(1OH, 1OMe)-B(2OMe) | Rotenone | Sermundone |
| 0.000 | [12a-Hydroxyrotenone]-A(1OMe)-B(2OMe) | 12a-Hydroxyrotenone | 12a-Hydroxymunduserone |
| 0.000 | [4-phenylcoumarin]-A(1OH, 2OMe)-B(2OMe) | 4-phenylcoumarin | 8-Hydroxy-5,7,3',4'-tetramethoxy-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(3OMe)-B(1OH, 1OMe) | 4-phenylcoumarin | 3'-Hydroxy-5,7,8,4'-tetramethoxy-4-phenylcoumarin |
| Level: 3, プリカーサーm/z: 341.13153 |
| Splash: splash10-000i-0931000000-5279aae1390433f3a860 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 189.16 | 311 | 152 | 1000 |
| 137.03 | 145 | 204 | 464 |
| 291.20 | 123 | 50 | 395 |
| 217.17 | 93 | 124 | 298 |
| 151.00 | 76 | 190 | 243 |
| 311.11 | 67 | 30 | 214 |
| 323.26 | 61 | 18 | 196 |
| 161.03 | 56 | 180 | 180 |
| 157.06 | 49 | 184 | 158 |
| 174.18 | 44 | 167 | 141 |
| 297.23 | 43 | 44 | 137 |
| 279.20 | 27 | 62 | 87 |
| 309.26 | 27 | 32 | 86 |
| 263.20 | 23 | 78 | 73 |
| 133.16 | 22 | 208 | 72 |
| 174.97 | 18 | 166 | 59 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.071 | [Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Licoflavanone |
| 0.065 | [2'-Hydroxychalcone]-A(2OH)-B(2OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Broussochalcone A |
| 0.065 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(2OH) | Flavanone | Euchrenone a7 |
| 0.037 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none) | Dihydroflavonol | 8-Prenylpinobanksin |
| 0.037 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none) | Dihydroflavonol | 6-Prenylpinobanksin |
| 0.034 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavanone | Kushenol S |
| 0.034 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavanone | 6-Prenylnaringenin |
| 0.034 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavanone | Sophoraflavanone B |
| 0.034 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Isoflavanone | Dihydrowighteone |
| 0.034 | [Isoflavanone]-A(1OH, 1(C-Prenyl))-B(2OH) | Isoflavanone | 7,2',4'-Trihydroxy-8-prenylisoflavanone |
| 0.031 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(2OH) | 2'-Hydroxychalcone | Morachalcone A |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | 2'-Hydroxychalcone | Psorachalcone A |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | 2'-Hydroxychalcone | Bakuchalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Bavachromanol |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | 5-Prenyl-6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Helikrausichalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | 5'-Prenyllicodione |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Kanzonol A |
| 0.000 | [Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Dihydrochalcone | Crotin (chalcone) |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxy-3'-prenyldihydrochalcone |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | Flavanone | Brosimacutin D |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Flavanone | Brosimacutin E |
| 0.000 | [Flavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(none) | Flavanone | 5,7-Dihydroxy-8-C-(4-hydroxy-3-methyl-2-butenyl)flavanone |
| 0.000 | [Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-6-(1,1-dimethylallyl)flavanone |
| 0.000 | [Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH) | Flavanone | Ugonin E |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH) | Flavanone | 5,4'-Dihydroxy-4'',4''-Dimethyl-5''-[2'',3'':7,6]methyldihydrofuranoflavanone |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | Flavone | 7-Methoxy-5,6:3',4'-bis(methylenedioxy)flavone |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | CCS-type derivative / [3,2']-Epoxymethanoflavone | Pulcherrimin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavan | 2'-O-Methylphaseollidinisoflavan |
| 0.000 | [Isoflavan]-A(1OH, 1(1,1-Dimethylallyl))-B(1OH, 1OMe) | Isoflavan | Millinol B |
| 0.000 | [Isoflavan]-A(1OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavan | 4'-O-Methylpreglabridin |
| 0.000 | [isoflavan-4-ol]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | isoflavan-4-ol | Ambanol |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | Pterocarpan | 10-(2-Hydroxy-3-methyl-3-butenyl)demethylmedicarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan-6a-ol | Sandwicarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan-6a-ol | Glyceocarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan-6a-ol | Glyceollidin I |
| 0.000 | [2-Phenylbenzofuran]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | 2-Phenylbenzofuran | Licocoumarone |