ピーク情報
|
タバコBY-2細胞 7日目
pos
|
| Peak #1399 MN MID: SE204_S07_M90 |
| m/z: 355.10231, RT: 36.76, 強度: 3663, ログ強度: 0.14, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 10 |
| DB検索結果: (9 names) Scopolin;1-Caffeoylquinic acid;Magnolioside;Cryptochlorogenic acid;7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone;Chlorogenic acid;Biflorin;Isobiflorin;Chrysolandol |
| DBごとのヒット数: ALL 9 KG 3 KN 6 |
| FlavonoidSearch最大スコア MS2: 0.062, 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 |
|---|---|---|---|---|
| C16H18O9 | 354.09508 | -0.137 | Scopolin | HMDB: HMDB0303366 KEGG: C01527 KNApSAcK: C00002500 |
| C16H18O9 | 354.09508 | -0.137 | 1-(3,4-Dihydroxycinnamoyl)quinic acid | HMDB: HMDB0030652, HMDB0304633 KNApSAcK: C00055231 |
| C16H18O9 | 354.09508 | -0.137 | Magnolioside | KNApSAcK: C00053451 |
| C16H18O9 | 354.09508 | -0.137 | trans-4-Caffeoylquinic acid | HMDB: HMDB0030653 KNApSAcK: C00029540, C00053843 |
| C16H18O9 | 354.09508 | -0.137 | 7-O-beta-D-glucopyranosyl-8-methoxybenzopyranone | KNApSAcK: C00055698 |
| C16H18O9 | 354.09508 | -0.137 | Chlorogenate | HMDB: HMDB0003164, HMDB0029278, HMDB0032849, HMDB0040690, HMDB0240477, HMDB0242450 KEGG: C00852, C17147 KNApSAcK: C00002724, C00030807, C00039428, C00049091, C00052976, C00054083, C00055767 |
| C16H18O9 | 354.09508 | -0.137 | Isobiflorin | HMDB: HMDB0040632 KNApSAcK: C00030518 |
| C16H18O9 | 354.09508 | -0.137 | Biflorin | HMDB: HMDB0002336 KEGG: C08996 KNApSAcK: C00002417 |
| C16H18O9 | 354.09508 | -0.137 | Chrysolandol | KNApSAcK: C00015105 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 355.10223 |
| Splash: splash10-03di-0900000000-363d5ec8740e19d4aafb |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 162.94 | 11633 | 192 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.063 | [Chalcone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Chalcone | Licoagrochalcone C |
| 0.000 | [Flavonol]-A(2OH)-B(1OH, 1(C-Prenyl)) | Flavonol | Isolicoflavonol |
| 0.000 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavonol | 6-Prenylkaempferol |
| 0.000 | [Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavonol | Noranhydroicaritin |
| 0.000 | [Flavonol]-A(3OH, 1(C-Prenyl))-B(none) | Flavonol | Platanetin |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH) | Isoflavone | 5,7,3',4'-Tetrahydroxy-6-prenylisoflavone |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH) | Isoflavone | Gancaonin L |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH) | Isoflavone | Luteone (isoflavone) |
| 0.000 | [Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH) | Isoflavone | 2,3-Dehydrokievitone |
| 0.000 | [Isoflavone]-A(2OH)-B(2OH, 1(C-Prenyl)) | Isoflavone | Licoisoflavone A |
| 0.000 | [Flavone]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavone | 8-C-Prenylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavone | 6-C-Prenylluteolin |
| 0.000 | [Flavone]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavone | Artocarpesin |
| 0.000 | [Chalcone]-A(1OH, 1(C-Prenyl))-B(2OH, 1OMe) | Chalcone | Licochalcone D |
| 0.000 | [Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | Dihydroflavonol | Leaserone |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Sigmoidin C |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Sanggenon F |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Sanggenon H |
| 0.000 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Dihydroflavonol | 3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
| 0.000 | [Flavanone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | Agrandol |
| 0.000 | [Flavanone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | Flavanone | Microfolione |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe) | Flavanone | 5,7-Dihydroxy-4'-methoxy-8-C-prenylflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | 5,4'-Dihydroxy-7-methoxy-6-C-prenylflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | Isoxanthohumol(Sophora) |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavanone | Mundulea flavanone B |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Xanthohumol |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH) | 2'-Hydroxychalcone | Xanthogalenol |
| 0.000 | [Isoflavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavanone | Licoisoflavanone |
| 0.000 | [Isoflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavanone | Cyclokievitone |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl)) | Pterocarpan | 1-Methoxyphaseollidin |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Pterocarpan | Edudiol |
| 0.000 | [2-Benzyl-2-hydroxydihydrobenzofuran (2,3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | 2-Benzyl-2-hydroxydihydrobenzofuran | Castillene C |
| 0.000 | [Chalcone]-A(1OH)-B(1OMe, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano))) | Chalcone | Licoagrochalcone D |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol D |
| 0.000 | [2'-Hydroxychalcone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Xanthoangelol H |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Helichromanochalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | 2'-Methoxyhelikrausichalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | 6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-6'-methoxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(2OH) | 2'-Hydroxychalcone | 3',4'-Dihydrooxepino-6'-hydroxybutein |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Isodehydrocycloxanthohumol hydrate |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 3'-Prenyl-2',6',beta-trihydroxy-4'-methoxychalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Dihydrochalcone | Flemistrictin D |
| 0.000 | [Dihydrochalcone beta-ol (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Dihydrochalcone beta-ol | Ponganone IX |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none) | Flavanone | Tephroleocarpin A |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-6-methyl-8-prenylflavanone |
| 0.000 | [Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-8-methyl-6-prenylflavanone |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Flavanone | Velloeriodictyol |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Flavanone | 5-Hydroxy-6-methoxy-3',4'-methylenedioxyfurano[2'',3'':7,8]flavanone |
| 0.000 | [Flavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | Flavone | Dinklagin C |
| 0.000 | [Flavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | Flavone | Ephedroidin |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | Flavone | Dinklagin B |
| 0.000 | [3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH) | 3-substituted Flavone | Albanin A |
| 0.000 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Dihydroflavonol | Shuterol |
| 0.000 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH) | Dihydroflavonol | 3,5,4'-Trihydroxy-4'',5'',dihydro-5''-isopropenylfurano[2'',3'':7,8]flavanone |
| 0.000 | [Dihydroflavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(none) | Dihydroflavonol | 3,5,6-Trimethoxy-[2'',3'':7,8]furanoflavanone |
| 0.000 | [Flavan 3-ol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavan 3-ol | 7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan |
| 0.000 | [Flavan 4-ol]-A(2OMe, 1(C-Prenyl))-B(none) | Flavan 4-ol | Tephrowatsin A |
| 0.000 | [Flavan 3,4-diol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavan 3,4-diol | Quercetol A |
| 0.000 | [CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin]-A(1OH)-B(2OH) | CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin | 5-Carboxypyranocyanidin |
| 0.000 | [Isoflavone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(1OH) | Isoflavone | Hydroxywighteone |
| 0.000 | [Isoflavone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(1OH) | Isoflavone | Gancaonin C |
| 0.000 | [Isoflavone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Isoflavone | Erythrinin C |
| 0.000 | [Isoflavone]-A(2OH)-B(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano))) | Isoflavone | Lupinisoflavone C |
| 0.000 | [Isoflavone]-A(2OH)-B(2OH, 1(1,1-Dimethylallyl)) | Isoflavone | Fremontin |
| 0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(1OH, 1OMe, 1([@@]-Methylenedioxy)) | Isoflavanone | Erosenone |
| 0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(3OMe) | Isoflavanone | Nepseudin |
| 0.000 | [Isoflavanone]-A(1([2,3:@@]-Furano))-B(3OMe) | Isoflavanone | Ambonone |
| 0.000 | [Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe) | Isoflavan | 3'-Methoxyglabridin |
| 0.000 | [Isoflavan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Isoflavan | Neorauflavane |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OMe, 1(C-Prenyl)) | Pterocarpan-6a-ol | Cristacarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OMe, 1(C-Prenyl))-B(1OH) | Pterocarpan-6a-ol | Glyceollin IV |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OH) | Pterocarpan-6a-ol | Glyceofuran |
| 0.000 | [Rotenoid 12-ol]-A(1([2,3:@@]-Furano))-B(2OMe) | Rotenoid 12-ol | Elliptinol |
| 0.000 | [3-Hydroxy-2-phenylbenzofuran (3-OMe)]-A(1OH, 1(C-Prenyl))-B(1OH, 1OMe) | 3-Hydroxy-2-phenylbenzofuran | Ambofuranol |
| 0.000 | [2-Phenylbenzofuran]-A(2OMe, 1(C-Prenyl))-B(2OH) | 2-Phenylbenzofuran | Gancaonin I |