ピーク情報
|
イチョウ 葉
pos
|
| Peak #6348 MN MID: SE205_S01_M90 |
| m/z: 633.29277, RT: 58.70, 強度: 9459, ログ強度: 0.43, アダクト: [M+CH3OH-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 3 |
| DB検索結果: (4 names) APC;Dysinosin C;Bryotoxin A;Cissacapine |
| DBごとのヒット数: ALL 4 KG 2 KN 2 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.150 |
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 |
|---|---|---|---|---|
| C33H38O8N4 | 618.26896 | 1.426 | APC | HMDB: HMDB0060661 KEGG: C16542 |
| C25H42O10N6S | 618.26831 | 2.479 | Dysinosin C | KNApSAcK: C00039072 |
| C32H42O12 | 618.26763 | 3.589 | Bryotoxin A | KEGG: C08853 KNApSAcK: C00003607 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 633.29260 |
| Splash: splash10-00di-0009002000-0eeec8c691f32bc8d8d5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 373.16 | 9046 | 260 | 1000 |
| 341.16 | 2957 | 292 | 326 |
| 601.17 | 2847 | 32 | 314 |
| 615.36 | 577 | 18 | 63 |
| 583.28 | 477 | 50 | 52 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 373.15912 |
| Splash: splash10-01ox-0009000000-c6faf6ebf4485b20133f |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 341.20 | 4943 | 32 | 1000 |
| 313.13 | 2673 | 60 | 540 |
| 355.20 | 441 | 18 | 89 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.150 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | 6,7,3',4',5'-Pentamethoxyisoflavone |
| 0.150 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | 6,7,2',3',4'-Pentamethoxyisoflavone |
| 0.150 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | 6,7,2',4',5'-Pentamethoxyisoflavone |
| 0.150 | [Isoflavone]-A(2OMe)-B(3OMe) | Isoflavone | Robustigenin methyl ether |
| 0.071 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH) | Dihydroflavonol | 6-Prenyltaxifolin |
| 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 |
| Level: 3, プリカーサーm/z: 341.15894 |
| Splash: splash10-022a-0049000000-f9da290b5cf111772711 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 323.17 | 929 | 18 | 1000 |
| 313.23 | 762 | 28 | 819 |
| 297.24 | 358 | 44 | 384 |
| 295.21 | 284 | 46 | 305 |
| 267.18 | 111 | 74 | 119 |
| 168.05 | 58 | 173 | 62 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.176 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Isoflavanone | Dihydrowighteone |
| 0.176 | [Isoflavanone]-A(1OH, 1(C-Prenyl))-B(2OH) | Isoflavanone | 7,2',4'-Trihydroxy-8-prenylisoflavanone |
| 0.150 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(2OH) | Flavanone | Euchrenone a7 |
| 0.150 | [2'-Hydroxychalcone]-A(2OH)-B(2OH, 1(C-Prenyl)) | 2'-Hydroxychalcone | Broussochalcone A |
| 0.150 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(2OH) | 2'-Hydroxychalcone | Morachalcone A |
| 0.125 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none) | Dihydroflavonol | 8-Prenylpinobanksin |
| 0.125 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none) | Dihydroflavonol | 6-Prenylpinobanksin |
| 0.053 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavanone | Kushenol S |
| 0.053 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavanone | 6-Prenylnaringenin |
| 0.053 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH) | Flavanone | Sophoraflavanone B |
| 0.053 | [Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Licoflavanone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | 2'-Hydroxychalcone | Psorachalcone A |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | 2'-Hydroxychalcone | Bakuchalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | Bavachromanol |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | 2'-Hydroxychalcone | 5-Prenyl-6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxychalcone |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | 2'-Hydroxychalcone | Helikrausichalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1(C-Prenyl))-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | 5'-Prenyllicodione |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH, 1(C-Prenyl)) | beta-Hydroxy(or Oxodihydro)chalcone | Kanzonol A |
| 0.000 | [Dihydrochalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Dihydrochalcone | Crotin (chalcone) |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxy-3'-prenyldihydrochalcone |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | Flavanone | Brosimacutin D |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Flavanone | Brosimacutin E |
| 0.000 | [Flavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(none) | Flavanone | 5,7-Dihydroxy-8-C-(4-hydroxy-3-methyl-2-butenyl)flavanone |
| 0.000 | [Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-6-(1,1-dimethylallyl)flavanone |
| 0.000 | [Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(1OH) | Flavanone | Ugonin E |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(1OH) | Flavanone | 5,4'-Dihydroxy-4'',4''-Dimethyl-5''-[2'',3'':7,6]methyldihydrofuranoflavanone |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy)) | Flavone | 7-Methoxy-5,6:3',4'-bis(methylenedioxy)flavone |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy)) | CCS-type derivative / [3,2']-Epoxymethanoflavone | Pulcherrimin |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavan | 2'-O-Methylphaseollidinisoflavan |
| 0.000 | [Isoflavan]-A(1OH, 1(1,1-Dimethylallyl))-B(1OH, 1OMe) | Isoflavan | Millinol B |
| 0.000 | [Isoflavan]-A(1OH, 1(C-Prenyl))-B(1OH, 1OMe) | Isoflavan | 4'-O-Methylpreglabridin |
| 0.000 | [isoflavan-4-ol]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy)) | isoflavan-4-ol | Ambanol |
| 0.000 | [Pterocarpan]-A(1OH)-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl)) | Pterocarpan | 10-(2-Hydroxy-3-methyl-3-butenyl)demethylmedicarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH, 1(C-Prenyl)) | Pterocarpan-6a-ol | Sandwicarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan-6a-ol | Glyceocarpin |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH, 1(C-Prenyl))-B(1OH) | Pterocarpan-6a-ol | Glyceollidin I |
| 0.000 | [2-Phenylbenzofuran]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH) | 2-Phenylbenzofuran | Licocoumarone |