ピーク情報
|
はつか大根 葉
pos
|
| Peak #5547 MN MID: SE202_S21_M90 |
| m/z: 503.19216, RT: 43.14, 強度: 31370, ログ強度: 1.04, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 16 |
| DB検索結果: (10 names) Deoxytryptoquialanine;Asp f I;Limonexic acid;Flavaprin;Massonianoid A;Abacopterin B;(-)-Abacopterin B;Abacopterin A;(-)-Abacopterin A;Limonexic acid |
| DBごとのヒット数: ALL 8 KN 7 HM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: 0.111 |
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 |
|---|---|---|---|---|
| C27H26O6N4 | 502.18523 | -0.701 | Deoxytryptoquialanine | KNApSAcK: C00052257 |
| C27H26O6N4 | 502.18523 | -0.701 | Tryptoquivaline I | HMDB: HMDB0260310 KNApSAcK: C00023562 |
| C26H30O10 | 502.18390 | 1.962 | Phellodensin F | FlavonoidViewer: FL2FAAGI0002 KNApSAcK: C00014360 LipidMAPS: LMPK12140229 |
| C26H30O10 | 502.18390 | 1.962 | Limonexic acid | KNApSAcK: C00041044 |
| C26H30O10 | 502.18390 | 1.962 | Massonianoid A | KNApSAcK: C00051494 |
| C26H30O10 | 502.18390 | 1.962 | Abacopterin B | KNApSAcK: C00041301 |
| C26H30O10 | 502.18390 | 1.962 | Limonexic acid | HMDB: HMDB0036075 |
| C26H30O10 | 502.18390 | 1.962 | Abacopterin A | KNApSAcK: C00041300 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 503.19168 |
| Splash: splash10-00di-0019000000-e7aea04d6c9af3674ef0 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 323.10 | 1359 | 180 | 1000 |
| 311.20 | 554 | 192 | 407 |
| 341.02 | 369 | 162 | 271 |
| 291.15 | 195 | 212 | 143 |
| 161.02 | 120 | 342 | 88 |
| 485.22 | 119 | 18 | 87 |
| 174.98 | 103 | 328 | 75 |
| 484.58 | 77 | 19 | 56 |
| 217.17 | 70 | 286 | 51 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(1(O-Coumaroyl)-(E)-4-hydroxyprenyl))-B(2OH) | 2'-Hydroxychalcone | Demethoxyisogemichalcone C |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloheterophyllin |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1([2,3:@@]-(6,6-Dimethylpyrano)))) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artonin N |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artonin F |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7-Methyl-7-(4-Methyl-3-pentenyl)tetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | CCS-type derivative / [2,2a,5:3',2',3]-7-Methyl-7-(4-Methyl-3-pentenyl)tetrahydroisobenzofuranoflavone | Artonin M |
| 0.000 | [UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl)) | UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone | Artonin O |
| 0.000 | [Coumaranochromon]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Coumaranochromon | Euchretin A |
| Level: 3, プリカーサーm/z: 323.15381 |
| Splash: splash10-03dl-0970000000-50acd2439c2b9a5d8429 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 161.03 | 460 | 162 | 1000 |
| 291.11 | 326 | 32 | 708 |
| 136.97 | 34 | 186 | 73 |
| 259.06 | 33 | 64 | 72 |
| 295.29 | 32 | 28 | 70 |
| 263.15 | 26 | 60 | 56 |
| 198.93 | 25 | 124 | 55 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.111 | [Flavanone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Flavanone | Abyssinone I |
| 0.111 | [2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | 2'-Hydroxychalcone | Kanzonol B |
| 0.095 | [Flavone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavone | Kanzonol D |
| 0.095 | [Flavone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Flavone | Licoflavone A |
| 0.091 | [Isoflavone]-A(1OH)-B(1OH, 1(C-Prenyl)) | Isoflavone | Neobavaisoflavone |
| 0.077 | [Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Pterocarpan | Neorautenol |
| 0.077 | [Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Phaseollin |
| 0.077 | [Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano))) | Pterocarpan | Isoneorautenol |
| 0.067 | [Chalcone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Chalcone | Munsericin |
| 0.053 | [Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | Flavanone | 4'-Hydroxyisolonchocarpin |
| 0.053 | [2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | 2'-Hydroxychalcone | Flemichapparin A |
| 0.053 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Isobavachromene |
| 0.053 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 2'-Hydroxychalcone | Bavachromene |
| 0.045 | [Flavone]-A(1OH, 1(C-Prenyl))-B(1OH) | Flavone | 7,4'-Dihydroxy-8-prenylflavone |
| 0.045 | [Flavone]-A(2OH, 1(C-Prenyl))-B(none) | Flavone | 5,7-Dihydroxy-8-prenylflavone |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavanone | Obovatin |
| 0.000 | [Dihydroflavonol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Dihydroflavonol | 3-Hydroxyisolonchocarpin |
| 0.000 | [Flavanone]-A(1OMe, 1(C-Prenyl))-B(none) | Flavanone | Isoderricin A |
| 0.000 | [Flavan 3-ol]-A(4OH)-B(2OH) | Flavan 3-ol | Elephantorrhizol |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Derricin |
| 0.000 | [Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Chalcone | Ovalitenin C |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(2OMe) | Flavone | Millettocalyxin C |
| 0.000 | [Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe) | Flavonol | 3,4'-Dimethoxyfurano[2,3:7,8]flavone |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(3OH) | Flavan 3,4-diol | Gallocatechin-4-ol |
| 0.000 | [isoflavene]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano))) | isoflavene | Glabrene |