ピーク情報
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イネ 葉 ニッポンバレ
pos
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| Peak #2347 MN MID: SE199_S41_M90 |
| m/z: 389.14437, RT: 37.44, 強度: 20735, ログ強度: 0.73, 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: (16 names) Geniposide;Arborescoside;Apodantheroside;Majoroside;Secologanin;Swertiajaposide A;(-)-Swertiajaposide A;Gardoside methyl ester;10-Acetylaucubin;Vogeloside;Verbenalin;Dehydrologanin;Ketologanin;Syringo... |
| DBごとのヒット数: ALL 14 KG 4 KN 9 HM 1 |
| FlavonoidSearch最大スコア MS2: 0.077, 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 |
|---|---|---|---|---|
| C17H24O10 | 388.13695 | 0.366 | Geniposide | HMDB: HMDB0252679 KEGG: C09781 KNApSAcK: C00000320 LipidMAPS: LMPR0102070058 |
| C17H24O10 | 388.13695 | 0.366 | Arborescoside | KNApSAcK: C00036740 |
| C17H24O10 | 388.13695 | 0.366 | Apodantheroside | KNApSAcK: C00010628 |
| C17H24O10 | 388.13695 | 0.366 | Majoroside | KNApSAcK: C00037464 |
| C17H24O10 | 388.13695 | 0.366 | Secologanin | HMDB: HMDB0304482 KEGG: C01852 KNApSAcK: C00003098 LipidMAPS: LMPR0102070002 |
| C17H24O10 | 388.13695 | 0.366 | Swertiajaposide A | KNApSAcK: C00031399 |
| C17H24O10 | 388.13695 | 0.366 | Gardoside methyl ester | KNApSAcK: C00036118 |
| C17H24O10 | 388.13695 | 0.366 | 10-Acetylaucubin | KNApSAcK: C00036396 |
| C17H24O10 | 388.13695 | 0.366 | Vogeloside | KNApSAcK: C00010800, C00037112 |
| C17H24O10 | 388.13695 | 0.366 | Verbenalin | HMDB: HMDB0301853 KEGG: C09802 KNApSAcK: C00003102 LipidMAPS: LMPR0102070016 |
| C17H24O10 | 388.13695 | 0.366 | Dehydrologanin | KNApSAcK: C00010605 |
| C17H24O10 | 388.13695 | 0.366 | Syringoxide | KNApSAcK: C00010703 |
| C18H20O6N4 | 388.13828 | -3.080 | N5-Dinitrophenyl-L-ornithine methyl ester | KEGG: C04541 |
| C18H20O6N4 | 388.13828 | -3.080 | Methyl N-[6-[(3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate | HMDB: HMDB0250002 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 389.14413 |
| Splash: splash10-004i-0094000000-6212cae512704dc3725c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 227.06 | 2094 | 162 | 1000 |
| 371.35 | 524 | 18 | 250 |
| 317.32 | 207 | 72 | 98 |
| 370.51 | 118 | 19 | 56 |
| 372.45 | 106 | 17 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.077 | [Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Chalcone | Flemiculosin |
| 0.067 | [Chalcone]-A(3OMe)-B(3OMe) | Chalcone | 2,3,4,2',4',6'-Hexamethoxychalcone |
| 0.059 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Paratocarpin A |
| 0.059 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Xambioona |
| 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 | [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 |