ピーク情報
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シロイヌナズナ 地上部
pos
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| Peak #5723 MN MID: SE200_S1_M90 |
| m/z: 339.21661, RT: 57.00, 強度: 7565, ログ強度: 0.25, 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: (20 names) 2-(10-Hydroxydec-1-enyl)-5,6-dimethoxy-3-methylbenzene-1,4-diol;Dodecyl gallate;Idebenone;[6]-Gingerdiol 5-acetate;Shiromodiol diacetate;Pulicanadiene C;(-)-Pulicanadiene C;Caucalol diacetate;Kessogly... |
| DBごとのヒット数: ALL 17 KG 3 KN 7 HM 6 LM 1 |
| FlavonoidSearch最大スコア MS2: 0.118, MS3: - |
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 |
|---|---|---|---|---|
| C19H30O5 | 338.20932 | 0.039 | 2-(10-Hydroxydec-1-enyl)-5,6-dimethoxy-3-methylbenzene-1,4-diol | HMDB: HMDB0255351 |
| C19H30O5 | 338.20932 | 0.039 | Dodecyl gallate | HMDB: HMDB0038720 |
| C19H30O5 | 338.20932 | 0.039 | Idebenone | HMDB: HMDB0253376 |
| C19H30O5 | 338.20932 | 0.039 | [6]-Gingerdiol 5-acetate | HMDB: HMDB0040567 |
| C19H30O5 | 338.20932 | 0.039 | Shiromodiol diacetate | KEGG: C09725 KNApSAcK: C00003187 |
| C19H30O5 | 338.20932 | 0.039 | Pulicanadiene C | KNApSAcK: C00042883 |
| C19H30O5 | 338.20932 | 0.039 | Caucalol diacetate | KNApSAcK: C00012446, C00012447 |
| C19H30O5 | 338.20932 | 0.039 | Kessoglycol diacetate | KNApSAcK: C00051136 |
| C19H30O5 | 338.20932 | 0.039 | Piperonyl butoxide | HMDB: HMDB0256579 KEGG: C18880 KNApSAcK: C00056079 |
| C19H30O5 | 338.20932 | 0.039 | [6]-Gingerdiol 3-acetate | HMDB: HMDB0040566, HMDB0303095 |
| C19H30O5 | 338.20932 | 0.039 | 5,8-Diacetoxynerolidol | KNApSAcK: C00011430 |
| C19H30O5 | 338.20932 | 0.039 | (E,E)-(-)-11-Dimethyl-3-[(acetyloxy)methyl]-7 2,6,10-dodecatriene-1,5-diol 1-acetate | KNApSAcK: C00011392 |
| C19H30O5 | 338.20932 | 0.039 | Monacolin J acid | KEGG: C20854 |
| C19H30O5 | 338.20932 | 0.039 | [3R-(3R*,5S*,6E,9S*)]-3,7,11-trimethyl-1,6,10-dodecatriene-3,5,9-triol 5,9-diacetate | KNApSAcK: C00011433 |
| C19H30O5 | 338.20932 | 0.039 | Cytosporin D | KNApSAcK: C00048680 |
| C19H30O5 | 338.20932 | 0.039 | 1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one | LipidMAPS: LMST02020108 |
| C20H26ON4 | 338.21066 | -3.915 | Lisuride | HMDB: HMDB0014727 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 339.21637 |
| Splash: splash10-00di-0029000000-0fa3b9455d4c800e6007 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 321.19 | 7622 | 18 | 1000 |
| 265.17 | 1939 | 74 | 254 |
| 247.18 | 456 | 92 | 59 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.118 | [Flavone]-A(2OH)-B(1OH, 1(C-Prenyl)) | Flavone | Yinyanghuo D |
| 0.118 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavone | 5,7,4'-Trihydroxy-6-prenylflavone |
| 0.118 | [Flavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavone | Licoflavone C |
| 0.118 | [Chalcone]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Chalcone | Licochalcone C |
| 0.111 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Isoflavone | Wighteone |
| 0.111 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH) | Isoflavone | Lupiwighteone |
| 0.111 | [Isoflavone]-A(2OH)-B(1OH, 1(C-Prenyl)) | Isoflavone | Isowighteone |
| 0.087 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(none) | Flavonol | 3,5,7-Trihydroxy-8-prenylflavone |
| 0.087 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(none) | Flavonol | 3,5,7-Trihydroxy-6-prenylflavone |
| 0.083 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | Citflavanone |
| 0.083 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | Paratocarpin K |
| 0.083 | [2'-Hydroxychalcone]-A(3OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Mallotus A |
| 0.067 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 2'-Hydroxychalcone | 3,4,2'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']chalcone |
| 0.063 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | 4-Hydroxyderricin |
| 0.063 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Bavachalcone |
| 0.063 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Isoxanthohumol(Helichrysum) |
| 0.063 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-6'-methoxy-3'-prenylchalcone |
| 0.059 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | 5-Methoxy-7-hydroxy-8-C-prenylflavanone |
| 0.059 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | Tephrinone |
| 0.059 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | 5-Hydroxy-7-methoxy-6-C-prenylflavanone |
| 0.059 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | 4'-Hydroxyisoderricin |
| 0.059 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachinin |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OMe, 1(C-Prenyl)) | Pterocarpan | Sandwicensin |
| 0.000 | [Auronol (2-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Auronol | Castillene D |
| 0.000 | [Chalcone]-A(1OH)-B(1OH, 1OMe, 1(1,1-Dimethylallyl)) | Chalcone | Licochalcone A |
| 0.000 | [Chalcone]-A(1OH, 1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Chalcone | 5'-Hydroxy-2'-methoxy-3,4-methylenedioxyfurano[2'',3'':4',3']chalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1Oxo, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Ovalitenone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | Glyinflanin B |
| 0.000 | [Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe) | Dihydrochalcone | Crotaramin |
| 0.000 | [Flavanone]-A(1OMe, 1(2-Hydroxy-1,1-dimethylallyl))-B(none) | Flavanone | Falciformin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(none) | Flavanone | 6-C-Prenyl-8-C-methylpinocembrin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(none) | Flavanone | 5,7-Dihydroxy-6-methyl-8-prenylflavanone |
| 0.000 | [Flavanone]-A(2OH, 1(4-Oxoprenyl))-B(none) | Flavanone | 5,7-Dihydroxy-8-C-(4-oxoprenyl)flavanone |
| 0.000 | [Flavonol]-A(2OH, 1(1,1-Dimethylallyl))-B(none) | Flavonol | 8-(1,1-Dimethylallyl)galangin |
| 0.000 | [Flavan 4-ol]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none) | Flavan 4-ol | Hildgardtol A |
| 0.000 | [Flavan 4-ol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavan 4-ol | Hildgardtol B |
| 0.000 | [Flavan]-A(2OMe, 1(C-Prenyl))-B(none) | Flavan | 5,7-Dimethoxy-8-prenylflavan |
| 0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin]-A(1OH)-B(1OH) | CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin | 5-Carboxypyranopelargonidin |
| 0.000 | [Isoflavone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Isoflavone | Psoralenol |
| 0.000 | [Isoflavone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH) | Isoflavone | 6-(1,1-Dimethylallyl)genistein |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Isoflavone | Crotalarin |
| 0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavanone | Neotenone |
| 0.000 | [Isoflavan]-A(1OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | 2'-O-Methylphaseollinisoflavan |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Isoflavan | 4'-O-Methylglabridin |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Ficinin |
| 0.000 | [Pterocarpan]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Pterocarpan | Apiocarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Pterocarpan-6a-ol | Glyceollin III |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan-6a-ol | Glyceollin I |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan-6a-ol | Glyceollin II |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan-6a-ol | Tuberosin |
| 0.000 | [2-Phenylbenzofuran]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | 2-Phenylbenzofuran | Neoraufurane |