ピーク情報
|
よもぎ 葉 生
pos
|
| Peak #4807 MN MID: SE116_S063011_M90 |
| m/z: 551.24878, RT: 49.79, 強度: 93427, ログ強度: 1.48, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (18 names) Ajugapantin A;Tetrahelin C;pseudolaric acid A O-beta-D-glucopyranoside;Frajunolide E;(-)-Frajunolide E;Tasumatrol N;(+)-Tasumatrol N;Taxumairol I;(+)-Taxumairol I;Junceellolide D;(-)-Junceellolide D;E... |
| DBごとのヒット数: ALL 11 KN 11 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.118 |
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 |
|---|---|---|---|---|
| C28H38O11 | 550.24141 | 0.173 | Ajugapantin A | KNApSAcK: C00031588 |
| C28H38O11 | 550.24141 | 0.173 | Tetrahelin C | KNApSAcK: C00011835 |
| C28H38O11 | 550.24141 | 0.173 | pseudolaric acid A O-beta-D-glucopyranoside | KNApSAcK: C00040093 |
| C28H38O11 | 550.24141 | 0.173 | Frajunolide E | KNApSAcK: C00039221 |
| C28H38O11 | 550.24141 | 0.173 | Taxumairol I | KNApSAcK: C00033409 |
| C28H38O11 | 550.24141 | 0.173 | Tasumatrol N | KNApSAcK: C00031405 |
| C28H38O11 | 550.24141 | 0.173 | Junceellolide D | KNApSAcK: C00031932 |
| C28H38O11 | 550.24141 | 0.173 | Excavatolide G | KNApSAcK: C00049373 |
| C28H38O11 | 550.24141 | 0.173 | Milolide M | KNApSAcK: C00045350 |
| C28H38O11 | 550.24141 | 0.173 | Pachyclavulide H | KNApSAcK: C00030913 |
| C28H38O11 | 550.24141 | 0.173 | Decinnamoyltaxinine B 11,12-epoxide | KNApSAcK: C00049440 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 551.24811 |
| Splash: splash10-002r-0109010000-ebc8fa770dbf17cc76c7 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 389.04 | 1420 | 162 | 1000 |
| 325.08 | 1145 | 226 | 805 |
| 163.00 | 511 | 388 | 359 |
| 533.17 | 274 | 18 | 192 |
| 518.39 | 240 | 33 | 169 |
| 209.13 | 162 | 342 | 113 |
| 371.15 | 98 | 180 | 69 |
| 519.28 | 89 | 32 | 62 |
| 180.98 | 79 | 370 | 55 |
| 307.03 | 72 | 244 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 2(C-Arabinosyl))-B(2OH) | Flavone | 6,8-Di-C-Arabinosylluteolin |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OMe) | Dihydroflavonol | Rel-5-hydroxy-7,4'-dimethoxy-2''S-(2,4,5-trimethoxy-E-styryl)-tetrahydrofuro[4''R,5''R:2,3]flavanonol |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe)-B(1OMe) | Dihydroflavonol | Rel-5-Hydroxy-7,4'-dimethoxy-3''S-(2,4,5-trimethoxy-E-styryl)tetrahydrofuro[4''R,5''R:2,3]flavanonol |
| Level: 3, プリカーサーm/z: 325.07599 |
| Splash: splash10-03di-0900000000-4d155b22b0f531dc56fc |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 162.98 | 664 | 162 | 1000 |
| 307.18 | 69 | 18 | 104 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.118 | [2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Licoagrochalcone A |
| 0.067 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | Glabranin |
| 0.067 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(none) | Flavanone | 5,7-Dihydroxy-6-C-prenylflavanone |
| 0.067 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Crotaramosmin |
| 0.067 | [2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Desmethylisoxanthohumol |
| 0.056 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Isobavachin |
| 0.056 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavanone | Bavachin |
| 0.056 | [Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Abyssinone II |
| 0.056 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Isobavachalcone |
| 0.056 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Broussochalcone B |
| 0.000 | [Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan | 2-Prenyldemethylmedicarpin |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | 8-Prenyldemethylmedicarpin |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan | Phaseollidin |
| 0.000 | [Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Chalcone | Crotmadine |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin E |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin B |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin F |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Flemistrictin C |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Dorsmanin A |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(none) | Dihydrochalcone | 1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone |
| 0.000 | [Flavanone]-A(1OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavanone | 7-Hydroxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone |
| 0.000 | [Flavanone]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Flavanone | 5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone |
| 0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(2OMe) | Isoflavanone | Neoraunone |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano))) | Isoflavan | Crotmarine |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavan | Glabridin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavan | Phaseollinisoflavan |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(2OMe) | Pterocarpan | Ambonane |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Neobanol |
| Level: 3, プリカーサーm/z: 389.03571 |
| Splash: splash10-0a4i-0490000000-ee0afa8b6a9405451088 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 209.07 | 653 | 180 | 1000 |
| 162.90 | 217 | 226 | 332 |
| 191.06 | 63 | 198 | 95 |
| 152.94 | 41 | 236 | 62 |
| 133.05 | 36 | 256 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Paratocarpin A |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Xambioona |
| 0.000 | [Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Chalcone | Flemiculosin |
| 0.000 | [Flavone]-A(1OMe, 2(C-Prenyl))-B(none) | Flavone | 5-Methoxy-7,8-diprenylflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(4OMe) | Flavone | 5-Hydroxy-7,2',3',4',5'-pentamethoxyflavone |
| 0.000 | [Flavone]-A(3OMe)-B(1OH, 2OMe) | Flavone | Ageconyflavone C |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(3OMe) | Flavone | Umuhengerin |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(3OMe) | Flavone | Agehoustin G |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(3OMe) | Flavone | Serpyllin |
| 0.000 | [Flavone]-A(4OMe)-B(1OH, 1OMe) | Flavone | 3'-Hydroxy-5,6,7,8,4'-pentamethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(2OMe) | Flavone | Demethylnobiletin |
| 0.000 | [Chalcone]-A(3OMe)-B(3OMe) | Chalcone | 2,3,4,2',4',6'-Hexamethoxychalcone |
| 0.000 | [Flavonol]-A(3OMe)-B(2OMe) | Flavonol | Quercetagetin 5,6,7,3',4'-pentamethyl ether |
| 0.000 | [Flavonol]-A(2OMe)-B(3OMe) | Flavonol | 3-Hydroxy-5,7,3',4',5'-pentamethoxyflavone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none) | Dihydrochalcone | Calomelanol D-1 |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methylbutadienyl))-B(none) | Flavanone | Spinoflavanone A |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano))) | Flavanone | Sigmoidin G |
| 0.000 | [Flavanone]-A(3OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavanone | Agecorynin A |
| 0.000 | [Flavone]-A(1OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavone | Kanzonol E |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1OH, 2OMe) | Flavonol | 2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(3OMe) | Flavonol | Combretol |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1OH, 2OMe) | Flavonol | 5'-hydroxy-3,5,7,2',4'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1OH, 2OMe) | Flavonol | 2'-Hydroxy-3,5,7,4',5'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(3OMe) | Flavonol | 5-Hydroxy-3,7,2',4',5'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe) | Flavonol | Grantiodin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe) | Flavonol | Quercetagetin 3,5,6,3',4'-pentamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1OH, 1OMe) | Flavonol | Quercetagetin 3,5,6,7,3'-pentamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe) | Flavonol | Artemetin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe, 1Methyl)-B(1OH, 1OMe) | Flavonol | 8-C-Methylquercetagetin 3,6,7,3'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe, 1Methyl)-B(1OH, 1OMe) | Flavonol | 8-C-Methylquercetagetin 3,6,7,4'-tetramethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(3OMe)-B(1OH, 1OMe) | Flavonol | Gossypetin 3,5,7,8,3'-pentamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe) | Flavonol | Gossypetin 3,5,8,3',4'-pentamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe) | Flavonol | Gossypetin 3,7,8,3',4'-pentamethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OMe) | Flavonol | 5-Hydroxy-3,7,8,2',4'-pentamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OMe) | Flavonol | Emmaosunin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OMe) | Flavonol | 5-Hydroxyauranetin |
| 0.000 | [Flavonol]-A(1OH, 3OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | 3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1OMe, 1(3-hydroxy-3-methylbutyl)) | Pterocarpan-6a-ol | Sphenostylin C |