ピーク情報
|
ポプラ, 幼植物, 地上部
pos
|
| Peak #5886 MN MID: SE205_S08_M90 |
| m/z: 431.13398, RT: 54.41, 強度: 29250, ログ強度: 0.87, 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: (26 names) 5,7-Dihydroxy-6-methoxyisoflavone 7-O-rhamnoside;5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside;4,6,4'-Trihydroxy-7-methylaurone 4-rhamnoside;Ononin;Alternanthin;6-(2,6-Dideoxy-beta-L-xylo-hexopyranosyl)... |
| DBごとのヒット数: ALL 21 KG 1 KN 19 HM 1 |
| FlavonoidSearch最大スコア MS2: -, 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 |
|---|---|---|---|---|
| C22H22O9 | 430.12638 | 0.743 | 5,7-Dihydroxy-6-methoxyisoflavone 7-O-rhamnoside | FlavonoidViewer: FLIAE9GS0001 KNApSAcK: C00010146 LipidMAPS: LMPK12050369 |
| C22H22O9 | 430.12638 | 0.743 | 5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside | FlavonoidViewer: FL3FE9GS0011 HMDB: HMDB0033098 KNApSAcK: C00004483 LipidMAPS: LMPK12111091 |
| C22H22O9 | 430.12638 | 0.743 | 4,6,4'-Trihydroxy-7-methylaurone 4-rhamnoside | FlavonoidViewer: FL1AAAGM0001 KNApSAcK: C00008065 LipidMAPS: LMPK12130026 |
| C22H22O9 | 430.12638 | 0.743 | Ononin | FlavonoidViewer: FLIA1AGS0002 HMDB: HMDB0033987 KEGG: C10509 KNApSAcK: C00002553 LipidMAPS: LMPK12050014 |
| C22H22O9 | 430.12638 | 0.743 | 3-C-Methylapigenin 5-rhamnoside | FlavonoidViewer: FL3FAAGM0001 KNApSAcK: C00004478 LipidMAPS: LMPK12110331 |
| C22H22O9 | 430.12638 | 0.743 | Alternanthin | FlavonoidViewer: FL3FADCS0003 KNApSAcK: C00006135 LipidMAPS: LMPK12110740 |
| C22H22O9 | 430.12638 | 0.743 | Alvaradoin E | KNApSAcK: C00038418, C00038419 |
| C22H22O9 | 430.12638 | 0.743 | 1-O-Caffeoyl-3-O-feruloylglycerol | KNApSAcK: C00054143 |
| C22H22O9 | 430.12638 | 0.743 | 8,9-Methylenedioxypterocarpan 3-O-alpha-L-rhamnoside | KNApSAcK: C00019448 |
| C22H22O9 | 430.12638 | 0.743 | 8-C-Rhamnosylgenkwanin | FlavonoidViewer: FL3FCACS0005 KNApSAcK: C00006133 LipidMAPS: LMPK12110974 |
| C22H22O9 | 430.12638 | 0.743 | 5,7,4'-Trihydroxy-3'-C-methylflavone 4'-rhamnoside | FlavonoidViewer: FL3FAAGM0002 KNApSAcK: C00004479 LipidMAPS: LMPK12110332 |
| C22H22O9 | 430.12638 | 0.743 | Acacetin 7-O-alpha-L-rhamnopyranoside | FlavonoidViewer: FL3FABGS0014 KNApSAcK: C00011181 LipidMAPS: LMPK12110458 |
| C22H22O9 | 430.12638 | 0.743 | Ketoprofen glucuronide | HMDB: HMDB0010334, HMDB0247380 |
| C22H22O9 | 430.12638 | 0.743 | 3-Hydroxy-4'-methoxyflavone 3-glucoside | FlavonoidViewer: FL5F9AGL0001 KNApSAcK: C00005119 LipidMAPS: LMPK12111614 |
| C22H22O9 | 430.12638 | 0.743 | Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate) | FlavonoidViewer: FL63ACNS0023 KNApSAcK: C00008897 LipidMAPS: LMPK12020107 |
| C22H22O9 | 430.12638 | 0.743 | 7,4'-Di-O-Methylisomollupentin | FlavonoidViewer: FL3FCBCS0001 KNApSAcK: C00006134 LipidMAPS: LMPK12111019 |
| C22H22O9 | 430.12638 | 0.743 | Isoononin | KNApSAcK: C00019755 |
| C22H22O9 | 430.12638 | 0.743 | Kaplanin | FlavonoidViewer: FL3FA9CS0006 KNApSAcK: C00014013 LipidMAPS: LMPK12110143 |
| C22H22O9 | 430.12638 | 0.743 | Torosaflavone B | FlavonoidViewer: FL3FAECS0003 KNApSAcK: C00006136 LipidMAPS: LMPK12110803 |
| C22H22O9 | 430.12638 | 0.743 | 3,7-Dihydroxy-8-methylflavone 7-rhamnoside | FlavonoidViewer: FL5F39GS0001 KNApSAcK: C00013732 LipidMAPS: LMPK12111598 |
| C22H22O9 | 430.12638 | 0.743 | 4'-O-Methylpuerarin | FlavonoidViewer: FLIA1ACS0006 KNApSAcK: C00006363 LipidMAPS: LMPK12050010 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 431.13397 |
| Splash: splash10-0i00-0191200000-c16eb6dd1130ceaadb18 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 269.10 | 1307 | 162 | 1000 |
| 254.97 | 1014 | 176 | 775 |
| 413.08 | 721 | 18 | 551 |
| 136.90 | 235 | 294 | 179 |
| 227.03 | 172 | 204 | 131 |
| 162.92 | 123 | 268 | 94 |
| 324.98 | 109 | 106 | 83 |
| 175.09 | 105 | 256 | 80 |
| 307.13 | 92 | 124 | 70 |
| 176.98 | 82 | 254 | 62 |
| 321.03 | 81 | 110 | 61 |
| 395.19 | 78 | 36 | 59 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.059 | [Flavone]-A(1OH, 1OMe, 1(C-Glu))-B(none) | Flavone | Kaplanin |
| 0.059 | [Isoflavone]-A(1OH, 1(C-Glu))-B(1OMe) | Isoflavone | Puerarin 4'-methyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe) | Flavone | Isomollupentin 7,4'-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OMe) | Flavone | 7,4'-Di-O-Methylisomollupentin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Rhamnosyl))-B(1OH) | Flavone | 8-C-Rhamnosylgenkwanin |
| 0.000 | [Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(2OH) | Flavone | Derhamnosylmaysin |
| 0.000 | [Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(2OH) | Flavone | 6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)luteolin |
| 0.000 | [Flavone]-A(2OH, 1(2,6-Dideoxy-beta-L-xylo-hexopyranosyl))-B(1OH, 1OMe) | Flavone | Alternanthin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OMe, 1(3-hydroxy-3-methylbutyl)) | Flavonol | Aliarin 4'-methyl ether |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OMe, 1(4-hydroxy-3-methylbutyl)) | Flavonol | 3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OMe, 1([@@]-Methylenedioxy)) | Flavonol | 3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-<1,6-Dihydroxy-2-cyclohexene-1-carbonyl>)) | Flavan 3-ol | Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate) |