ピーク情報
|
よもぎ 葉 生
pos
|
| Peak #9869 MN MID: SE116_S063011_M90 |
| m/z: 408.23845, RT: 87.18, 強度: 274525, ログ強度: 1.95, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (72 names) Kadangustin H;(-)-Kadangustin H;Picrasin D;Sequoiatone E;(+)-Sequoiatone E;Sequoiatone D;(+)-Sequoiatone D;17-Acetoxygutiesolbriolide;Megaphone;Kuhistanicaol H;(+)-Kuhistanicaol H;Bakkenolide E;6,7-Di... |
| DBごとのヒット数: ALL 54 KG 5 KN 44 HM 3 LM 2 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.053 |
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 |
|---|---|---|---|---|
| C22H30O6 | 390.20424 | 0.989 | Kadangustin H | KNApSAcK: C00039517 |
| C22H30O6 | 390.20424 | 0.989 | Picrasin D | KEGG: C17051 |
| C22H30O6 | 390.20424 | 0.989 | Sequoiatone E | KNApSAcK: C00046399 |
| C22H30O6 | 390.20424 | 0.989 | Sequoiatone D | KNApSAcK: C00046398 |
| C22H30O6 | 390.20424 | 0.989 | 17-Acetoxygutiesolbriolide | KNApSAcK: C00023416 |
| C22H30O6 | 390.20424 | 0.989 | Megaphone | KEGG: C10690 KNApSAcK: C00000588 |
| C22H30O6 | 390.20424 | 0.989 | Kuhistanicaol H | KNApSAcK: C00037403 |
| C22H30O6 | 390.20424 | 0.989 | Bakkenolide E | HMDB: HMDB0035206 KNApSAcK: C00021353, C00021354 |
| C22H30O6 | 390.20424 | 0.989 | 6,7-Dimethoxy-7-epirosmanol | HMDB: HMDB0030844 |
| C22H30O6 | 390.20424 | 0.989 | Isodoglutinosin A | KNApSAcK: C00050909 |
| C22H30O6 | 390.20424 | 0.989 | Gelomulide P | KNApSAcK: C00033864 |
| C22H30O6 | 390.20424 | 0.989 | Laserolide | KEGG: C09491 KNApSAcK: C00003313 |
| C22H30O6 | 390.20424 | 0.989 | Isosilerolide | KNApSAcK: C00013009 |
| C22H30O6 | 390.20424 | 0.989 | Inucrithmolide | KNApSAcK: C00013007 |
| C22H30O6 | 390.20424 | 0.989 | Silerolide | KNApSAcK: C00013010 |
| C22H30O6 | 390.20424 | 0.989 | Effusanin B | KNApSAcK: C00041514 |
| C22H30O6 | 390.20424 | 0.989 | 3-Acetyl-14,15-epoxy-xeniolide H | KNApSAcK: C00041267 |
| C22H30O6 | 390.20424 | 0.989 | Liangshanin E | KNApSAcK: C00051257 |
| C22H30O6 | 390.20424 | 0.989 | Durumhemiketalolide B | KNApSAcK: C00047219, C00047220 |
| C22H30O6 | 390.20424 | 0.989 | 11,12-Dihydroxy-7,14-dimethoxy-8,11,13-abietatrien-20,6-olide | HMDB: HMDB0031933 |
| C22H30O6 | 390.20424 | 0.989 | Xindongnin H | KNApSAcK: C00032523 |
| C22H30O6 | 390.20424 | 0.989 | Dubiin | KNApSAcK: C00022393 |
| C22H30O6 | 390.20424 | 0.989 | Pregomisin | KNApSAcK: C00031082 |
| C22H30O6 | 390.20424 | 0.989 | Liangshanin F | KNApSAcK: C00051258 |
| C22H30O6 | 390.20424 | 0.989 | Maoecrystal L | KNApSAcK: C00051471 |
| C22H30O6 | 390.20424 | 0.989 | Cascarillin H | KNApSAcK: C00045256 |
| C22H30O6 | 390.20424 | 0.989 | Claviridic acid B | KNApSAcK: C00048661 |
| C22H30O6 | 390.20424 | 0.989 | Oreskaurin B | KNApSAcK: C00035710 |
| C22H30O6 | 390.20424 | 0.989 | Kuhistanicaol J | KNApSAcK: C00037405 |
| C22H30O6 | 390.20424 | 0.989 | Methyl 20-dihydroprednisolonate | HMDB: HMDB0254566 |
| C22H30O6 | 390.20424 | 0.989 | Prostratin | HMDB: HMDB0256861 KEGG: C20197 KNApSAcK: C00040076 |
| C22H30O6 | 390.20424 | 0.989 | Longikaurin E | KNApSAcK: C00048471 |
| C22H30O6 | 390.20424 | 0.989 | Maoecrystal S | KNApSAcK: C00051476 |
| C22H30O6 | 390.20424 | 0.989 | Neoquassin | HMDB: HMDB0035922 KEGG: C08771 KNApSAcK: C00003720 LipidMAPS: LMPR0106110001 |
| C22H30O6 | 390.20424 | 0.989 | Gelomulide U | KNApSAcK: C00033869 |
| C22H30O6 | 390.20424 | 0.989 | 20-Acetylsinularolide B | KNApSAcK: C00038206, C00038207 |
| C22H30O6 | 390.20424 | 0.989 | 7-Acetoxymarrubin | KNApSAcK: C00022390 |
| C22H30O6 | 390.20424 | 0.989 | LipidMAPS: LMPR0104060001 |
|
| C22H30O6 | 390.20424 | 0.989 | Caesalpinin N | KNApSAcK: C00029878 |
| C22H30O6 | 390.20424 | 0.989 | 9beta,11beta-epoxy-6alpha,17alpha,21-trihydroxy-16alpha-methylpregn-4-ene-3,20-dione | LipidMAPS: LMST02030235 |
| C22H30O6 | 390.20424 | 0.989 | Durumolide D | KNApSAcK: C00048697 |
| C22H30O6 | 390.20424 | 0.989 | 17-Acetoxyisogutiesolbriolide | KNApSAcK: C00023417 |
| C22H30O6 | 390.20424 | 0.989 | Longikaurin C | KNApSAcK: C00039639 |
| C22H30O6 | 390.20424 | 0.989 | Longirabdolide G | KNApSAcK: C00051316 |
| C22H30O6 | 390.20424 | 0.989 | Longirabdolide F | KNApSAcK: C00051315 |
| C22H30O6 | 390.20424 | 0.989 | Pseurata C | KNApSAcK: C00040098 |
| C22H30O6 | 390.20424 | 0.989 | Jodrellin A | KNApSAcK: C00003447 |
| C22H30O6 | 390.20424 | 0.989 | Kuhistaferone | KNApSAcK: C00046067 |
| C22H30O6 | 390.20424 | 0.989 | Denticulatolide | KNApSAcK: C00042461 |
| C22H30O6 | 390.20424 | 0.989 | Fruticolone | KNApSAcK: C00023538 |
| C22H30O6 | 390.20424 | 0.989 | Isofruticolone | KNApSAcK: C00023539 |
| C22H30O6 | 390.20424 | 0.989 | Isolaserolide | KNApSAcK: C00011973 |
| C22H30O6 | 390.20424 | 0.989 | Lushanrubescensin H | KNApSAcK: C00031989 |
| C22H30O6 | 390.20424 | 0.989 | Inflexarabdonin E | KNApSAcK: C00050830 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 408.23779 |
| Splash: splash10-0006-0009000000-68ca58dc29d0fdf4bcde |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 391.13 | 610 | 17 | 1000 |
| 390.46 | 188 | 18 | 307 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 391.13309 |
| Splash: splash10-004i-0190000000-39352dac02da5cf8573d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 229.10 | 180 | 162 | 1000 |
| 201.12 | 46 | 190 | 252 |
| 247.19 | 40 | 144 | 220 |
| 211.13 | 39 | 180 | 215 |
| 183.05 | 21 | 208 | 114 |
| 390.24 | 15 | 1 | 85 |
| 173.08 | 15 | 218 | 81 |
| 289.09 | 12 | 102 | 67 |
| 187.16 | 11 | 204 | 62 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.053 | [Flavanone]-A(1OH, 2OMe)-B(3OMe) | Flavanone | 5-Hydroxy-6,7,3',4',5'-pentamethoxyflavanone |
| 0.042 | [Flavone]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Flavone | Kanzonol E |
| 0.042 | [Flavonol]-A(1OH, 2OMe)-B(1OH, 2OMe) | Flavonol | 3,5,3'-Trihydroxy-6,7,4',5'-tetramethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(2OH, 1OMe) | Flavone | Gardenin E |
| 0.000 | [Flavone]-A(2OH, 2OMe)-B(1OH, 2OMe) | Flavone | Scaposin |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(2OH, 1OMe) | Flavone | Agecorynin D |
| 0.000 | [Flavonol]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavonol | 3,5,4'-Trihydroxy-6,7,8,3'-tetramethoxyflavone |
| 0.000 | [Flavonol]-A(1OH, 3OMe)-B(1OH, 1OMe) | Flavonol | 3,5,3'-Trihydroxy-6,7,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol]-A(2OH, 2OMe)-B(2OMe) | Flavonol | 3,5,8-Trihydroxy-6,7,3',4'-tetramethoxyflavone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6-Methyl-6-(4-methyl-3-pentenyl)pyrano)))-B(1OH) | 2'-Hydroxychalcone | Lespeol |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Paratocarpin C |
| 0.000 | [2'-Hydroxychalcone]-A(2OH)-B(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Anthyllisone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Paratocarpin B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([3,4,5:@@@]-(1,7,7-Trimethyl-2,6-dioxa-tricyclo[6.2.2.0(4,9)]dodecene)))-B(none) | 2'-Hydroxychalcone | Rubranine |
| 0.000 | [Flavanone]-A(1OH)-B(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Abyssinone III |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Euchrenone a5 |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Dinklagin A |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl)) | Flavanone | Shinflavanone |
| 0.000 | [Flavanone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Fulvinervin A |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,7,4'-Trihydroxy-3,6,3',5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,7,3'-Trihydroxy-3,6,4',5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,3',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | Apuleitrin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,7,5'-Trihydroxy-3,6,2',4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5-O-Demethylapulein |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | 5,6,5'-Trihydroxy-3,7,2',4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavonol | Hibiscetin 3,7,8,4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 2OMe) | Flavonol | Hibiscetin 3,8,3',4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH, 1OMe) | Flavonol | 5,2',4'-Trihydroxy-3,7,8,5'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH) | Flavonol | 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 5,7,4'-Trihydroxy-3,6,8,3'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 5,7,3'-Trihydroxy-3,6,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH, 1OMe) | Flavonol | 5,6,3'-Trihydroxy-3,7,8,4'-tetramethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(2OH) | Flavonol | 5,2',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Hispaglabridin B |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(3OMe)-B(2OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan | Abruquinone B |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Folitenol |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Folinin |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Erybraedin D |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Erybraedin B |
| 0.000 | [Pterocarpene]-A(1OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | Pterocarpene | Erycristagallin |
| 0.000 | [6,12a-Hydroxyrotenone]-A(1OH, 1OMe)-B(2OMe) | 6,12a-Hydroxyrotenone | Clitoriacetal |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Butyroyl)-B(none) | 4-phenylcoumarin | 6-Butyryl-5-hydroxy-4-phenylseselin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Isobutyroyl)-B(none) | 4-phenylcoumarin | Mesuagin |