ピーク情報
|
イネ 葉 ニッポンバレ
pos
|
| Peak #2314 MN MID: SE199_S41_M90 |
| m/z: 427.26668, RT: 37.18, 強度: 10074, ログ強度: 0.41, アダクト: [M+2H]2+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: |
| DBごとのヒット数: |
| 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 |
|---|---|---|---|---|
| C46H77O12P | 852.51527 | 4.149 | PG(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/20:3(5Z,8Z,11Z)) | HMDB: HMDB0269736 |
| C46H77O12P | 852.51527 | 4.149 | PG(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) | HMDB: HMDB0269876 |
| C46H77O12P | 852.51527 | 4.149 | PG(18:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) | HMDB: HMDB0268935 |
| C46H77O12P | 852.51527 | 4.149 | PG(20:2(11Z,14Z)/PGJ2) | HMDB: HMDB0269627 |
| C46H77O12P | 852.51527 | 4.149 | PG(20:3(8Z,11Z,14Z)-2OH(5,6)/20:4(8Z,11Z,14Z,17Z)) | HMDB: HMDB0270053 |
| C46H77O12P | 852.51527 | 4.149 | PG(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/20:3(8Z,11Z,14Z)) | HMDB: HMDB0269875 |
| C46H77O12P | 852.51527 | 4.149 | PG(18:1(11Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) | HMDB: HMDB0268951 |
| C46H77O12P | 852.51527 | 4.149 | PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(12Z)-2OH(9,10)) | HMDB: HMDB0270480 |
| C46H77O12P | 852.51527 | 4.149 | PG(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/18:1(11Z)) | HMDB: HMDB0268936 |
| C46H77O12P | 852.51527 | 4.149 | PG(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/18:1(9Z)) | HMDB: HMDB0269056 |
| C46H77O12P | 852.51527 | 4.149 | PG(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/20:3(5Z,8Z,11Z)) | HMDB: HMDB0269772 |
| C46H77O12P | 852.51527 | 4.149 | PG(20:3(8Z,11Z,14Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) | HMDB: HMDB0269874 |
| C46H77O12P | 852.51527 | 4.149 | PG(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/18:1(11Z)) | HMDB: HMDB0268952 |
| C46H77O12P | 852.51527 | 4.149 | PG(20:3(5Z,8Z,11Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) | HMDB: HMDB0269773 |
| C46H77O12P | 852.51527 | 4.149 | PG(18:1(9Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) | HMDB: HMDB0269039 |
| C46H77O12P | 852.51527 | 4.149 | PG(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/20:3(8Z,11Z,14Z)) | HMDB: HMDB0269839 |
| C46H77O12P | 852.51527 | 4.149 | PG(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)-2OH(5,6)) | HMDB: HMDB0269948 |
| C46H77O12P | 852.51527 | 4.149 | PG(18:1(9Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) | HMDB: HMDB0269055 |
| C46H77O12P | 852.51527 | 4.149 | PG(20:3(5Z,8Z,11Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) | HMDB: HMDB0269735 |
| C46H77O12P | 852.51527 | 4.149 | PG(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/18:1(9Z)) | HMDB: HMDB0269040 |
| C46H77O12P | 852.51527 | 4.149 | PG(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/20:3(5Z,8Z,11Z)) | HMDB: HMDB0269774 |
| C46H77O12P | 852.51527 | 4.149 | PG(18:1(12Z)-2OH(9,10)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | HMDB: HMDB0270481 |
| C46H77O12P | 852.51527 | 4.149 | PG(20:3(8Z,11Z,14Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) | HMDB: HMDB0269838 |
| C46H77O12P | 852.51527 | 4.149 | PG(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z)-2OH(5,6)) | HMDB: HMDB0270052 |
| C46H77O12P | 852.51527 | 4.149 | PG(PGJ2/20:2(11Z,14Z)) | HMDB: HMDB0269628 |
| C46H77O12P | 852.51527 | 4.149 | PG(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/20:3(8Z,11Z,14Z)) | HMDB: HMDB0269877 |
| C46H77O12P | 852.51527 | 4.149 | PG(20:3(5Z,8Z,11Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) | HMDB: HMDB0269771 |
| C46H77O12P | 852.51527 | 4.149 | PG(20:3(8Z,11Z,14Z)-2OH(5,6)/20:4(5Z,8Z,11Z,14Z)) | HMDB: HMDB0269949 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 427.26675 |
| Splash: splash10-00lr-0009004000-0ee0786f74f563938e43 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 382.88 | 28637 | 44 | 1000 |
| 665.45 | 12798 | -238 | 446 |
| 333.30 | 5948 | 94 | 207 |
| 666.48 | 5077 | -239 | 177 |
| 368.84 | 2434 | 58 | 84 |
| 369.47 | 1466 | 58 | 51 |
| 374.40 | 1447 | 53 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.077 | [Flavone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 2OMe) | Flavone | 5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(1OH)-C(1(O-Galloyl)) | Flavan 3-ol | Afzelechin 3-O-gallate |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-p-Hydroxybenzoyl)) | Flavan 3-ol | Gallocatechin 3-O-p-hydroxybenzoate |
| 0.000 | [Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl)) | Dihydrochalcone | 2',4',6',3,4-Pentahydroxy-3',5-diprenyldihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(4OH, 1Geranyl)-B(1OH) | Dihydrochalcone | 3'-Geranyl-4,2',4',5',6'-pentahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(4OH, 1Neryl)-B(1OH) | Dihydrochalcone | 4,2',3',4',6'-Pentahydroxy-5'-neryldihydrochalcone |
| 0.000 | [Dihydrochalcone beta-ol (beta-OMe)]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy)) | Dihydrochalcone beta-ol | Ponganone VIII |
| 0.000 | [Flavanone]-A(1OMe, 1(1(O-Acetyl)-2,4-Dihydroxy-5,5-dimethyltetrahydro-3-furanyl))-B(none) | Flavanone | Tephrorin A |
| 0.000 | [Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(1OH) | Flavanone | Kushenol T |
| 0.000 | [Flavanone]-A(2OH)-B(1OH, 1(7-hydroxy-3,7-dimethyl-2-octenyl)) | Flavanone | Propolin E |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethyl-4,5-dihydroxydihydropyrano))) | Flavan | Broussoflavan A |
| 0.000 | [6-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 6-Hydroxyrotenone | Villosin |
| 0.000 | [12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(2OMe) | 12a-Hydroxyrotenone | Dalbinol |
| 0.000 | [12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe) | 12a-Hydroxyrotenone | Villosinol |
| 0.000 | [12a-Hydroxyrotenone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe) | 12a-Hydroxyrotenone | 11-Hydroxytephrosin |
| Level: 3, プリカーサーm/z: 382.82724 |
| Splash: splash10-0159-0029013000-3a68aba3fbc4bca121d2 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 368.91 | 1216 | 14 | 1000 |
| 333.30 | 1022 | 50 | 839 |
| 665.46 | 933 | -283 | 767 |
| 297.75 | 462 | 85 | 379 |
| 374.32 | 394 | 9 | 324 |
| 283.77 | 216 | 99 | 177 |
| 537.41 | 160 | -155 | 131 |
| 594.47 | 155 | -212 | 127 |
| 319.25 | 87 | 64 | 71 |
| 324.67 | 86 | 58 | 70 |
| 554.60 | 86 | -172 | 70 |
| 667.46 | 83 | -285 | 68 |
| 200.02 | 72 | 183 | 59 |
| 171.20 | 71 | 212 | 58 |
| 498.60 | 71 | -116 | 58 |
| 239.03 | 67 | 144 | 55 |
| 648.55 | 65 | -266 | 53 |
| 326.35 | 63 | 56 | 52 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Isoflavone]-A(1OH)-B(1OH, 2OMe, 1(C-Prenyl)) | Isoflavone | Licoricone |
| 0.000 | [Isoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe, 1(C-Prenyl)) | Isoflavone | 7,3'-Dihydroxy-5,4'-dimethoxy-5'-prenylisoflavone |
| 0.000 | [Isoflavone]-A(2OH)-B(2OMe, 1(C-Prenyl)) | Isoflavone | Piscerythrinetin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe) | Flavone | Artocarpetin B |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Pterocarpan | Desmodin |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(2OH)-B(2OH, 1OMe) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artoindonesianin T |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(2OH) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Artonin K |
| 0.000 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none)-C(1(O-Acetyl)) | Dihydroflavonol | 6-Prenylpinobanksin 3-O-acetate |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe) | Flavonol | Velloquercetin 4'-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH) | Flavonol | Velloquercetin 3-methyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavonol | Sarothranol |
| 0.000 | [Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neoraucarpanol |
| 0.000 | [Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neorautanin |
| 0.000 | [Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(1([@@]-Methylenedioxy)) | Pterocarpan-6a-ol | Hildecarpidin |
| 0.000 | [12a-Hydroxyrotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | 12a-Hydroxyrotenone | 12a-Hydroxypachyrrhizone |
| 0.000 | [12a-Hydroxyrotenone (3-OMe)]-A(1([2,3:@@]-Furano))-B(2OMe) | 12a-Hydroxyrotenone | Neobanone |
| 0.000 | [Coumaranochromon]-A(2OH)-B(2OH, 1(C-Prenyl)) | Coumaranochromon | Lisetin |
| 0.000 | [3-Phenylcoumarin]-A(2OMe, 1(C-Prenyl))-B(2OH) | 3-Phenylcoumarin | Glycyrin |