ピーク情報
|
イネ 葉 ニッポンバレ
pos
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| Peak #1805 MN MID: SE199_S41_M90 |
| m/z: 389.21695, RT: 34.06, 強度: 7975, ログ強度: 0.31, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (41 names) Rehmaionoside C;9,13-Dihydroxy-4-megastigmen-3-one 9-glucoside;Turpinionoside E;(-)-Turpinionoside E;Icariside B5;(-)-Icariside B5;Dihydroroseoside;Phlomuroside;(-)-Phlomuroside;Lasianthionoside B;Ili... |
| DBごとのヒット数: ALL 28 KG 1 KN 21 HM 2 LM 4 |
| FlavonoidSearch最大スコア MS2: 0.059, 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 |
|---|---|---|---|---|
| C19H32O8 | 388.20972 | -0.116 | Rehmaionoside C | KEGG: C17452 |
| C19H32O8 | 388.20972 | -0.116 | Foliasalacioside A2 | HMDB: HMDB0036318 KNApSAcK: C00030299 |
| C19H32O8 | 388.20972 | -0.116 | Turpinionoside E | KNApSAcK: C00033462 |
| C19H32O8 | 388.20972 | -0.116 | Icariside B5 | KNApSAcK: C00030507 |
| C19H32O8 | 388.20972 | -0.116 | Ampelopsisionoside | HMDB: HMDB0040614 KNApSAcK: C00029682 |
| C19H32O8 | 388.20972 | -0.116 | Phlomuroside | HMDB: HMDB0038306 KNApSAcK: C00029499, C00031280, C00031391, C00033841, C00037619 |
| C19H32O8 | 388.20972 | -0.116 | Lasianthionoside B | KNApSAcK: C00051207 |
| C19H32O8 | 388.20972 | -0.116 | Ilicifolinoside B | KNApSAcK: C00049178 |
| C19H32O8 | 388.20972 | -0.116 | Ascleposide E | KNApSAcK: C00032741 |
| C19H32O8 | 388.20972 | -0.116 | Alangionoside C | KNApSAcK: C00042206 |
| C19H32O8 | 388.20972 | -0.116 | Officinoside A | KNApSAcK: C00033261, C00033262 |
| C19H32O8 | 388.20972 | -0.116 | Plucheoside B | KNApSAcK: C00031389, C00037657 |
| C19H32O8 | 388.20972 | -0.116 | Macarangioside F | KNApSAcK: C00048473 |
| C19H32O8 | 388.20972 | -0.116 | Ascleposide C | KNApSAcK: C00032739 |
| C19H32O8 | 388.20972 | -0.116 | methyl 10,12,13,15-bisepidioxy-16-hydroperoxy-8E-octadecenoate | LipidMAPS: LMFA01040052 |
| C19H32O8 | 388.20972 | -0.116 | Foliasalacioside A1 | KNApSAcK: C00030298, C00031823 |
| C19H32O8 | 388.20972 | -0.116 | Dendranthemoside B | KNApSAcK: C00040938 |
| C19H32O8 | 388.20972 | -0.116 | Icariside B8 | HMDB: HMDB0036846 |
| C19H32O8 | 388.20972 | -0.116 | Breyniaionoside D | KNApSAcK: C00031638 |
| C19H32O8 | 388.20972 | -0.116 | Sedumoside H | KNApSAcK: C00031361 |
| C19H32O8 | 388.20972 | -0.116 | Lasianthionoside C | KNApSAcK: C00051208 |
| C19H32O8 | 388.20972 | -0.116 | Alangionoside E | HMDB: HMDB0031676 KNApSAcK: C00030012, C00033840, C00036699 |
| C19H32O8 | 388.20972 | -0.116 | Debiloside B | KNApSAcK: C00030097 |
| C19H32O8 | 388.20972 | -0.116 | methyl 10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoate | LipidMAPS: LMFA01040057 |
| C19H32O8 | 388.20972 | -0.116 | methyl 9,12,13,15-bisepidioxy-16-hydroperoxy-10-octadecenoate | LipidMAPS: LMFA01040058 |
| C19H32O8 | 388.20972 | -0.116 | methyl 9-hydroperoxy-10,12,13,15-bisepidioxy-16E-octadecenoate | LipidMAPS: LMFA01040051 |
| C19H32O8 | 388.20972 | -0.116 | Sedumoside I | KNApSAcK: C00031362 |
| C20H28O4N4 | 388.21106 | -3.561 | Ilomastat | HMDB: HMDB0253401 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 389.21692 |
| Splash: splash10-004i-0093000000-ce0a233b3807ea29ae1d |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 227.01 | 680 | 162 | 1000 |
| 371.21 | 260 | 18 | 382 |
| 209.10 | 109 | 180 | 160 |
| 353.23 | 62 | 36 | 90 |
| 272.10 | 55 | 117 | 81 |
| 188.95 | 54 | 200 | 79 |
| 173.10 | 38 | 216 | 56 |
| 200.94 | 36 | 188 | 53 |
| 313.29 | 34 | 76 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.059 | [Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Chalcone | Flemiculosin |
| 0.053 | [Chalcone]-A(3OMe)-B(3OMe) | Chalcone | 2,3,4,2',4',6'-Hexamethoxychalcone |
| 0.048 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Paratocarpin A |
| 0.048 | [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 |