ピーク情報
|
ポプラ, 幼植物, 地上部
pos
|
| Peak #4969 MN MID: SE205_S08_M90 |
| m/z: 389.12331, RT: 50.47, 強度: 848658, ログ強度: 2.33, アダクト: [M-2(H2O)+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (19 names) Isorutarin;3,4-Dihydro-1,2-secomicrominutinin-9-O-glucoside;Uncinoside B;Praeroside III;Fortuneanoside E;(-)-Fortuneanoside E;Fortuneanoside D;(-)-Fortuneanoside D;(2R)-2'-Hydroxymarmesin 2'-O-beta-D-... |
| DBごとのヒット数: ALL 17 KG 4 KN 11 HM 2 |
| FlavonoidSearch最大スコア MS2: 0.091, 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 |
|---|---|---|---|---|
| C20H24O10 | 424.13695 | 0.506 | Isorutarin | HMDB: HMDB0030883 KNApSAcK: C00050995 |
| C20H24O10 | 424.13695 | 0.506 | 3,4-Dihydro-1,2-secomicrominutinin-9-O-glucoside | KNApSAcK: C00038239 |
| C20H24O10 | 424.13695 | 0.506 | Uncinoside B | KNApSAcK: C00032441 |
| C20H24O10 | 424.13695 | 0.506 | Praeroside III | KNApSAcK: C00020008, C00020009 |
| C20H24O10 | 424.13695 | 0.506 | Fortuneanoside E | KNApSAcK: C00030322 |
| C20H24O10 | 424.13695 | 0.506 | Fortuneanoside D | KNApSAcK: C00030321 |
| C20H24O10 | 424.13695 | 0.506 | Apterin | HMDB: HMDB0034231 KNApSAcK: C00031441, C00031604 |
| C20H24O10 | 424.13695 | 0.506 | (2R)-2'-Hydroxymarmesin 2'-O-beta-D-glucopyranoside | HMDB: HMDB0039038 KNApSAcK: C00019919 |
| C20H24O10 | 424.13695 | 0.506 | Rutarin | HMDB: HMDB0030884 KEGG: C09309 KNApSAcK: C00002496 |
| C20H24O10 | 424.13695 | 0.506 | Salicortin | KNApSAcK: C00056100 |
| C20H24O10 | 424.13695 | 0.506 | Celereoside | HMDB: HMDB0039028 KNApSAcK: C00053923 |
| C20H24O10 | 424.13695 | 0.506 | Ginkgolide M | HMDB: HMDB0030042 KEGG: C16816 |
| C20H24O10 | 424.13695 | 0.506 | Smyrindioloside | HMDB: HMDB0039037 |
| C20H24O10 | 424.13695 | 0.506 | 13alpha(21)-Epoxyeurycomanone | HMDB: HMDB0244577 |
| C20H24O10 | 424.13695 | 0.506 | Ginkgolide B | HMDB: HMDB0036861 KEGG: C07602 KNApSAcK: C00035830 LipidMAPS: LMPR0104540002 |
| C20H24O10 | 424.13695 | 0.506 | Ginkgolide J | HMDB: HMDB0029605 KEGG: C07604 KNApSAcK: C00035832 LipidMAPS: LMPR0104540004 |
| C20H24O10 | 424.13695 | 0.506 | Ginkgolide M | KNApSAcK: C00041545 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 389.12299 |
| Splash: splash10-0hb9-0394000000-094b37639c9393b129d7 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 214.96 | 41902 | 174 | 1000 |
| 227.00 | 37035 | 162 | 883 |
| 371.11 | 34056 | 18 | 812 |
| 353.13 | 24741 | 36 | 590 |
| 233.06 | 17177 | 156 | 409 |
| 186.92 | 13404 | 202 | 319 |
| 120.87 | 8404 | 268 | 200 |
| 203.10 | 5379 | 186 | 128 |
| 223.01 | 5154 | 166 | 123 |
| 185.06 | 4595 | 204 | 109 |
| 160.96 | 4273 | 228 | 101 |
| 240.97 | 4228 | 148 | 100 |
| 341.08 | 4209 | 48 | 100 |
| 251.12 | 4089 | 138 | 97 |
| 189.00 | 4029 | 200 | 96 |
| 190.96 | 3408 | 198 | 81 |
| 145.07 | 3390 | 244 | 80 |
| 172.89 | 3145 | 216 | 75 |
| 171.02 | 3086 | 218 | 73 |
| 197.10 | 3062 | 192 | 73 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.138 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Xambioona |
| 0.100 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Paratocarpin A |
| 0.036 | [Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Chalcone | Flemiculosin |
| 0.033 | [Chalcone]-A(3OMe)-B(3OMe) | Chalcone | 2,3,4,2',4',6'-Hexamethoxychalcone |
| 0.029 | [Flavonol]-A(3OMe)-B(2OMe) | Flavonol | Quercetagetin 5,6,7,3',4'-pentamethyl ether |
| 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(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 |
| Level: 3, プリカーサーm/z: 214.96158 |
| Splash: splash10-000i-0900000000-a53cf8db5b14cc2fcf78 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 186.97 | 16741 | 28 | 1000 |
| 197.05 | 2943 | 18 | 175 |
| 144.96 | 2781 | 70 | 166 |
| 159.02 | 2178 | 56 | 130 |
| 169.03 | 2163 | 46 | 129 |
| 185.03 | 1440 | 30 | 86 |
| 172.91 | 984 | 42 | 58 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 226.99506 |
| Splash: splash10-001i-0900000000-f9aaf4e875da1879297b |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 132.85 | 5234 | 94 | 1000 |
| 106.96 | 1360 | 120 | 259 |
| 121.03 | 475 | 106 | 90 |
| 199.12 | 390 | 28 | 74 |
| 227.03 | 288 | -0 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavan]-A(1OH)-B(none) | Flavan | 7-Hydroxyflavan |