ピーク情報
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イヌカタヒバ
pos
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| Peak #4042 MN MID: SE205_S02_M90 |
| m/z: 373.16446, RT: 41.98, 強度: 19194, ログ強度: 0.76, 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: (30 names) Dihydroxybergamottin;(+)-Rishirilide B;Rishirilide B;Aristelegin C;(-)-Aristelegin C;Isovalerylshikonin;Denudanolide C;l-Arctigenin;Hydroxymyricanone;Tetrahydrocurcumin;Licoriphenone;Haplomitrenolide ... |
| DBごとのヒット数: ALL 25 KG 4 KN 17 HM 4 |
| FlavonoidSearch最大スコア MS2: 0.071, 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 |
|---|---|---|---|---|
| C21H24O6 | 372.15729 | -0.274 | 6',7'-Dihydroxybergamottin | HMDB: HMDB0039066, HMDB0251341 KEGG: C22156 KNApSAcK: C00047681 |
| C21H24O6 | 372.15729 | -0.274 | (+)-Rishirilide B | KNApSAcK: C00018605 |
| C21H24O6 | 372.15729 | -0.274 | Aristelegin C | KNApSAcK: C00045654 |
| C21H24O6 | 372.15729 | -0.274 | Isovalerylshikonin | KNApSAcK: C00051012 |
| C21H24O6 | 372.15729 | -0.274 | Denudanolide C | KNApSAcK: C00032899 |
| C21H24O6 | 372.15729 | -0.274 | Arctigenin | HMDB: HMDB0030087, HMDB0253870 KEGG: C10545 KNApSAcK: C00000608, C00000609 |
| C21H24O6 | 372.15729 | -0.274 | Hydroxymyricanone | HMDB: HMDB0041416 |
| C21H24O6 | 372.15729 | -0.274 | Tetrahydrocurcumin | HMDB: HMDB0005789 |
| C21H24O6 | 372.15729 | -0.274 | Licoriphenone | HMDB: HMDB0035182 KNApSAcK: C00033113 |
| C21H24O6 | 372.15729 | -0.274 | Haplomitrenolide C | KNApSAcK: C00023398 |
| C21H24O6 | 372.15729 | -0.274 | (8R,8'R,9S)-9-Hydroxy-3,4-dimethoxy-3',4'-methylenoxy-9,9'-epoxylignan | HMDB: HMDB0032733 |
| C21H24O6 | 372.15729 | -0.274 | Penicillide | KNApSAcK: C00016737 |
| C21H24O6 | 372.15729 | -0.274 | Theraphin D | KNApSAcK: C00036231 |
| C21H24O6 | 372.15729 | -0.274 | Kadsurin A | KEGG: C10640 KNApSAcK: C00002610 |
| C21H24O6 | 372.15729 | -0.274 | 1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedione | KNApSAcK: C00055176 |
| C21H24O6 | 372.15729 | -0.274 | Nasimalun A | KNApSAcK: C00046832 |
| C21H24O6 | 372.15729 | -0.274 | Fargesone A | KEGG: C10563 KNApSAcK: C00002603, C00031784 |
| C21H24O6 | 372.15729 | -0.274 | 5-O-Methyl-8-prenylafzelechin-4beta-ol | FlavonoidViewer: FL6DBANI0001 KNApSAcK: C00009027 LipidMAPS: LMPK12020212 |
| C21H24O6 | 372.15729 | -0.274 | 2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-methylenedioxyphenyl)-1-propanol | HMDB: HMDB0030826 KNApSAcK: C00054631 |
| C21H24O6 | 372.15729 | -0.274 | Armenin B | KNApSAcK: C00043283 |
| C21H24O6 | 372.15729 | -0.274 | [3aS-(3aalpha,4alpha,5alpha,9aalpha,9bbeta)]-5-(Acetyloxy)-2,3,3a,4,5,9,9a,9b-octahydro-6-methyl-3,9-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester 2-methylpropanoic acid | KNApSAcK: C00020487 |
| C21H24O6 | 372.15729 | -0.274 | Phillygenin | HMDB: HMDB0256450 KEGG: C22586 KNApSAcK: C00000647, C00044400, C00053678 |
| C21H24O6 | 372.15729 | -0.274 | 9-Hydroxy-3',4'-dimethoxy-3,4-methylenedioxy-9,9'-epoxylignan | HMDB: HMDB0032734 |
| C22H20O2N4 | 372.15863 | -3.868 | Dipeginol | KNApSAcK: C00052267 |
| C22H20O2N4 | 372.15863 | -3.868 | Fellutanine A | KNApSAcK: C00026623 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 373.16449 |
| Splash: splash10-0a4i-0209000000-782b11685962ceb0e4f5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 355.19 | 15768 | 18 | 1000 |
| 193.05 | 3032 | 180 | 192 |
| 175.03 | 1595 | 198 | 101 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.071 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH) | Dihydroflavonol | 6-Prenyltaxifolin |
| 0.045 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | 6,7,3',4',5'-Pentamethoxyisoflavone |
| 0.045 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | 6,7,2',3',4'-Pentamethoxyisoflavone |
| 0.045 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | 6,7,2',4',5'-Pentamethoxyisoflavone |
| 0.045 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | Robustigenin methyl ether |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | Prosogerin C |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 7,8,3',4',5'-Pentamethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 5,6,2',3',6'-Pentamethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | Cerosilin B |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 5,6,2',3',4'-Pentamethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | Tricetin 5,7,3',4',5'-pentamethyl ether |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 5,7,2',3',4'-Pentamethoxyflavone |
| 0.000 | [Flavone]-A(2OMe)-B(3OMe) | Flavone | 5,7,2',4',6'-Pentamethoxyflavone |
| 0.000 | [Flavone]-A(3OMe)-B(2OMe) | Flavone | Sinensetin |
| 0.000 | [Flavone]-A(3OMe)-B(2OMe) | Flavone | Isosinensetin |
| 0.000 | [Flavone]-A(4OMe)-B(1OMe) | Flavone | Tangeretin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(5-(p-Hydroxyphenyl)furano))) | 2'-Hydroxychalcone | Lophirone E |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone (2-OMe)]-A(1([@@]-Methylenedioxy))-B(3OMe) | beta-Hydroxy(or Oxodihydro)chalcone | 3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone |
| 0.000 | [Flavanone]-A(1OH)-B(1([2,3:@@]-(5-(p-Hydroxyphenyl)furano))) | Flavanone | 7-Hydroxy-(5-(p-Hydroxyphenyl)furano)[2,3:4',3'])flavanone |
| 0.000 | [Flavanone]-A(2OH, 1((E)-4-Hydroxyprenyl))-B(2OH) | Flavanone | Licoleafol |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano))) | Flavanone | Sigmoidin D |
| 0.000 | [3-substituted Flavone (3-(3-Methylbutyl))]-A(2OH)-B(3OH) | 3-substituted Flavone | Asplenetin |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1OMe) | Flavonol | Auranetin |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(2OMe) | Flavonol | 3,5,7,2',6'-Pentamethoxyflavone |
| 0.000 | [Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH) | Flavonol | 6-(3-hydroxy-3-methylbutyl)kaempferol |
| 0.000 | [Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH) | Flavonol | Noricaritin |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(2OMe) | Flavonol | Quercetin pentamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(2OMe) | Flavonol | 2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OH, 1OMe) | Flavonol | 5,4'-Dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Melisimplin |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1OMe) | Flavonol | Herbacetin pentamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 5-Hydroxy-3,7,8-trimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(none) | Flavonol | 3,5,6,7,8-Pentamethoxyflavone |
| 0.000 | [Flavan 3,4-diol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavan 3,4-diol | 3,4,7,4'-Tetrahydroxy-5-methoxy-8-prenylflavan |
| 0.000 | [Isoflavone]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(2OH) | Isoflavone | 2,3-Dehydrokievitone hydrate |
| 0.000 | [Isoflavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(2OH) | Isoflavanone | Kievitol |
| 0.000 | [6-Hydroxydehydrorotenone]-A(3OH)-B(1OH)-C(1(O-Acetyl)) | 6-Hydroxydehydrorotenone | 3,6,9,10,11-Pentahydroxydehydrorotenone 6-O-acetate |
| 0.000 | [6-Hydroxydehydrorotenone]-A(1OH, 1OMe)-B(2OMe) | 6-Hydroxydehydrorotenone | Stemonal |