ピーク情報
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イヌカタヒバ
pos
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| Peak #9018 MN MID: SE205_S02_M90 |
| m/z: 329.26880, RT: 80.62, 強度: 15415, ログ強度: 0.67, 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: (7 names) Avocadene 4-acetate;Avocadene 1-acetate;MG(16:1(9Z)/0:0/0:0);MG(0:0/16:1(9Z)/0:0);Nonadecane-1,19-dioic acid;Avocadene 2-acetate;Methyl 8-[3-(2-hydroxyoctyl)oxiran-2-yl]octanoate |
| DBごとのヒット数: ALL 7 HM 3 LM 4 |
| FlavonoidSearch最大スコア MS2: 0.133, 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 |
|---|---|---|---|---|
| C19H36O4 | 328.26136 | 0.503 | Avocadene 4-acetate | HMDB: HMDB0031045 LipidMAPS: LMFA05000642 |
| C19H36O4 | 328.26136 | 0.503 | MG(16:1(9Z)/0:0/0:0) | HMDB: HMDB0011565, HMDB0243951 |
| C19H36O4 | 328.26136 | 0.503 | Avocadene 1-acetate | HMDB: HMDB0031043 LipidMAPS: LMFA05000640, LMFA05000715 |
| C19H36O4 | 328.26136 | 0.503 | MG(0:0/16:1(9Z)/0:0) | HMDB: HMDB0011534 |
| C19H36O4 | 328.26136 | 0.503 | Avocadene 2-acetate | HMDB: HMDB0031044 LipidMAPS: LMFA05000641 |
| C19H36O4 | 328.26136 | 0.503 | Nonadecane-1,19-dioic acid | LipidMAPS: LMFA01170135 |
| C19H36O4 | 328.26136 | 0.503 | Methyl 8-[3-(2-hydroxyoctyl)oxiran-2-yl]octanoate | HMDB: HMDB0246127 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 329.26877 |
| Splash: splash10-03di-0159000000-d38dec19c631073aae96 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 311.24 | 27895 | 18 | 1000 |
| 237.25 | 9186 | 92 | 329 |
| 219.27 | 7306 | 110 | 261 |
| 135.10 | 1722 | 194 | 61 |
| 148.97 | 1579 | 180 | 56 |
| 255.17 | 1490 | 74 | 53 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.133 | [Chalcone]-A(4OMe)-B(none) | Chalcone | 2',3',4',6'-Tetramethoxychalcone |
| 0.100 | [Flavonol]-A(2OMe)-B(1OMe) | Flavonol | 3-Hydroxy-7,8,4'-trimethoxyflavone |
| 0.083 | [Isoflavone]-A(1OMe)-B(1OH, 2OMe) | Isoflavone | 2'-Hydroxy-7,3',4'-trimethoxyisoflavone |
| 0.083 | [Isoflavone]-A(1OH, 2OMe)-B(1OMe) | Isoflavone | 5-Methoxyafrormosin |
| 0.083 | [Isoflavone]-A(1OH, 2OMe)-B(1OMe) | Isoflavone | 7,4'-Di-O-methyltectorigenin |
| 0.083 | [Isoflavone]-A(1OH, 2OMe)-B(1OMe) | Isoflavone | Iso-5-methoxyafrormosin |
| 0.083 | [Isoflavone]-A(1OH)-B(3OMe) | Isoflavone | 7-Hydroxy-2',4',5'-trimethoxyisoflavone |
| 0.083 | [Isoflavone]-A(1OH, 1OMe)-B(2OMe) | Isoflavone | Cladrastin |
| 0.083 | [Isoflavone]-A(1OH, 1OMe)-B(2OMe) | Isoflavone | 7-Hydroxy-8,3',4'-trimethoxyisoflavone |
| 0.048 | [Flavonol]-A(3OMe)-B(none) | Flavonol | 3-Hydroxy-5,7,8-trimethoxyflavone |
| 0.048 | [Flavonol]-A(1OMe)-B(2OMe) | Flavonol | Fisetin 7,3',4'-trimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Grantionin |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Zapotinin |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | 5-Hydroxy-7,2',5'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | 5-Hydroxy-7,2',6'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Luteolin 5,3',4'-trimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Luteolin 7,3',4'-trimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(2OMe) | Flavone | Noratocarpetin 7,2',4'-trimethyl ether |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | 6-Hydroxy-5,7,4'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | Salvigenin |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | 7-Hydroxy-5,8,2'-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | Andrographin |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(1OMe) | Flavone | Isoscutellarein 7,8,4'-trimethyl ether |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(none) | Flavone | 8-Hydroxy-5,6,7-trimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(none) | Flavone | Alnetin |
| 0.000 | [Aurone]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1OMe) | Aurone | 6,3'-Dihydroxy-4,4'-dimethoxy-5-methylaurone |
| 0.000 | [Aurone]-A(1OH, 2OMe)-B(1OMe) | Aurone | 5-Hydroxy-4,6,4'-trimethoxyaurone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | 2'-Hydroxychalcone | Tephrone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe, 1Formyl, 1Methyl)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 3'-Formyl-2',6',beta-trihydroxy-4'-methoxy-5'-methylchalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | beta-Hydroxy(or Oxodihydro)chalcone | Milletenone |
| 0.000 | [UBR-type derivative / 2',4'-Dioxo-6'-cyclohexenyl-type Chalcone]-A(1OH, 4Methyl)-B(1OH) | UBR-type derivative / 2',4'-Dioxo-6'-cyclohexenyl-type Chalcone | 2-Hydroxy-7,8-dehydrograndiflorone |
| 0.000 | [Flavanone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavanone | 7,2'-Dimethoxy-4',5'-methylenedioxyflavanone |
| 0.000 | [Flavanone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavanone | 6,7-Dimethoxy-3',4'-methylenedioxyflavanone |
| 0.000 | [Flavanone]-A(2OMe, 1Hydroxymethyl, 1Methyl)-B(none) | Flavanone | 5-O-Methylleridol |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 2Methyl)-B(1OMe) | Flavanone | 5-Hydroxy-7,4'-dimethoxy-6,8-di-C-methylflavanone |
| 0.000 | [Flavanone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavanone | 5,7-Dimethoxy-3',4'-methylenedioxyflavanone |
| 0.000 | [Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Flavanone | Betagarin |
| 0.000 | [Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe) | Flavanone | 5,4'-Dimethoxy-6,7-methylenedioxyflavanone |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(2OH) | Flavone | 5,3',4'-Trihydroxy-7-methoxy-6,8-dimethylflavone |
| 0.000 | [Flavone]-A(2OH, 1([@@]-Methylenedioxy))-B(1OMe) | Flavone | Kanzakiflavone 1 |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Propionyl)) | Dihydroflavonol | Pinobanksin 3-O-propionate |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(none)-C(1(O-Acetyl)) | Dihydroflavonol | 3,5-Dihydroxy-7-methoxyflavanone 3-O-acetate |
| 0.000 | [Dihydroflavonol]-A(2OH, 1Methyl)-B(none)-C(1(O-Acetyl)) | Dihydroflavonol | 6-Methypinobanksin 3-O-acetate |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1OH) | Flavonol | Kaempferol 3,5,7-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OMe) | Flavonol | Kaempferol 3,7,4'-trimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Flavonol | 8-Demethyllatifolin |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 2Methyl)-B(1OH) | Flavonol | 6,8-Di-C-methylkaempferol 7-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(1OH) | Flavonol | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none) | Flavonol | Alnustin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH) | Flavonol | 5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none) | Flavonol | 7-Hydroxy-3,5,8-trimethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none) | Flavonol | Methylgnaphaliin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe, 1Methyl)-B(none) | Flavonol | Platanin 3,7-dimethyl ether |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol (4-OMe)]-A(1OH)-B(1([@@]-Methylenedioxy)) | CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol | 4-O-Methyl-3',4'-methylenedioxymopanan-4alpha-ol |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | 5,3'-Dihydroxy-2'-methoxy-6,7-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Dalspinin |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe) | Isoflavone | 5,4'-Trihydroxy-3'-methoxy-6,7-methylenedioxyisoflavone |
| 0.000 | [Isoflavanone]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Isoflavanone | 6,7-Dimethoxy-3',4'-methylenedioxyisoflavanone |
| 0.000 | [Pterocarpan]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan | 2-Methoxypterocarpin |
| 0.000 | [Pterocarpan]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan | 4-Methoxypterocarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Acanthocarpan |
| 0.000 | [Pterocarpan-6-ol (3-OMe)]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan-6-ol | 6-Methoxypterocarpin |
| 0.000 | [UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene]-A(1OH, 1OMe)-B(1OMe) | UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene | Bryaquinone |
| 0.000 | [Pterocarpene]-A(1OMe)-B(1OH, 2OMe) | Pterocarpene | Bryacarpene 2 |
| 0.000 | [Pterocarpene]-A(1OH, 1OMe)-B(2OMe) | Pterocarpene | Bryacarpene 4 |
| 0.000 | [4-phenylcoumarin]-A(2OMe)-B(1OH, 1OMe) | 4-phenylcoumarin | 3'-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 2OMe)-B(1OMe) | 4-phenylcoumarin | Exostemin |