ピーク情報
|
イネ 葉 ニッポンバレ
pos
|
| Peak #3239 MN MID: SE199_S41_M90 |
| m/z: 435.16529, RT: 43.13, 強度: 27044, ログ強度: 0.84, 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) Scorzodihydrostilbene C;Eleganin;beta-Hydroxy-2,3,4,5,2',4',5'-heptamethoxychalcone;EI 2346;Lophodiol B;(-)-Lophodiol B;5,6,7,2',3',4',5'-Heptamethoxyflavanone;6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxy... |
| DBごとのヒット数: ALL 23 KG 2 KN 19 HM 2 |
| FlavonoidSearch最大スコア MS2: 0.083, MS3: 0.026 |
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 |
|---|---|---|---|---|
| C22H26O9 | 434.15768 | 0.755 | beta-Hydroxy-2,3,4,5,2',4',5'-heptamethoxychalcone | FlavonoidViewer: FL1CHYNS0006 KNApSAcK: C00006998 LipidMAPS: LMPK12120400 |
| C22H26O9 | 434.15768 | 0.755 | 5,6,7,2',3',4',5'-Heptamethoxyflavanone | FlavonoidViewer: FL2FELNS0001 KNApSAcK: C00008348 LipidMAPS: LMPK12140640 |
| C22H26O9 | 434.15768 | 0.755 | 6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone | FlavonoidViewer: FL1CELNS0001 KNApSAcK: C00006991 LipidMAPS: LMPK12120351 |
| C22H26O9 | 434.15768 | 0.755 | Neoraufuracin | FlavonoidViewer: FL1AUNGS0001 KNApSAcK: C00008062 LipidMAPS: LMPK12130057 |
| C22H26O9 | 434.15768 | 0.755 | 5,6,7,8,3',4',5'-Heptamethoxyflavanone | FlavonoidViewer: FL2FGGNS0002 KNApSAcK: C00008417 LipidMAPS: LMPK12140688 |
| C22H26O9 | 434.15768 | 0.755 | 4'-O-Methyldavidioside | FlavonoidViewer: FL1D1AGS0003 KNApSAcK: C00007990 LipidMAPS: LMPK12120447 |
| C22H26O9 | 434.15768 | 0.755 | Scorzodihydrostilbene C | KNApSAcK: C00047562 |
| C22H26O9 | 434.15768 | 0.755 | Eleganin | KEGG: C09401 KNApSAcK: C00003253 |
| C22H26O9 | 434.15768 | 0.755 | EI 2346 | KNApSAcK: C00015018 |
| C22H26O9 | 434.15768 | 0.755 | Lophodiol B | KNApSAcK: C00039653 |
| C22H26O9 | 434.15768 | 0.755 | Zoapatanolide C | KNApSAcK: C00020694 |
| C22H26O9 | 434.15768 | 0.755 | chrysoeriol 6-hexoside (use chrysoeriol_6_glucoside.mol) | HMDB: HMDB0304573 |
| C22H26O9 | 434.15768 | 0.755 | Ferupennin F | KNApSAcK: C00045937 |
| C22H26O9 | 434.15768 | 0.755 | Fluctuadin | KNApSAcK: C00011879 |
| C22H26O9 | 434.15768 | 0.755 | Crocin 5 | HMDB: HMDB0250541 |
| C22H26O9 | 434.15768 | 0.755 | Melcanthin D | KNApSAcK: C00012288 |
| C22H26O9 | 434.15768 | 0.755 | Jamaicolide B | KNApSAcK: C00020456 |
| C22H26O9 | 434.15768 | 0.755 | Liscunditrin | KNApSAcK: C00011751 |
| C22H26O9 | 434.15768 | 0.755 | (3R)-Vestitol 7-O-glucoside | HMDB: HMDB0033012 KNApSAcK: C00049058 |
| C22H26O9 | 434.15768 | 0.755 | Exfoliamycin | KNApSAcK: C00016791 |
| C22H26O9 | 434.15768 | 0.755 | Daldinin C | KNApSAcK: C00052998 |
| C22H26O9 | 434.15768 | 0.755 | Graminiliatrin | KEGG: C09469 KNApSAcK: C00003295 |
| C23H22O5N4 | 434.15902 | -2.326 | Psychrophilin B | KNApSAcK: C00026703 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 435.16492 |
| Splash: splash10-0159-0080900000-010a1d8811b9001ad01a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 417.23 | 5666 | 18 | 1000 |
| 233.11 | 2965 | 202 | 523 |
| 263.03 | 2023 | 172 | 357 |
| 280.93 | 343 | 154 | 60 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.083 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(4OMe) | 2'-Hydroxychalcone | 6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone |
| 0.071 | [Flavanone]-A(3OMe)-B(4OMe) | Flavanone | 5,6,7,2',3',4',5'-Heptamethoxyflavanone |
| 0.071 | [Flavanone]-A(4OMe)-B(3OMe) | Flavanone | 5,6,7,8,3',4',5'-Heptamethoxyflavanone |
| 0.000 | [Flavone]-A(1OH, 3OMe)-B(1OH, 3OMe) | Flavone | Agehoustin D |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OMe)-B(4OMe) | beta-Hydroxy(or Oxodihydro)chalcone | beta-Hydroxy-2,3,4,5,2',4',5'-heptamethoxychalcone |
| 0.000 | [Flavanone]-A(1OH, 1(C-Galactosyl))-B(2OH) | Flavanone | Palodulcin B |
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(1OH) | Flavanone | Hemiphloin |
| 0.000 | [Flavanone]-A(2OH, 1(C-Glu))-B(1OH) | Flavanone | Isohemiphloin |
| 0.000 | [Flavone]-A(2OH)-B(1([2,3:@@]-(5-Hydroxymethyl-6-(p-hydroxyphenyl)-dihydro[1,4]dioxinyl))) | Flavone | Sinaticin |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH, 1(3-Methyl-1-butenyl))-B(1OMe) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloartocarpin A |
| 0.000 | [CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | CCS-type derivative / [2',3]-Prenyloxidoflavone | Cycloartocarpin |
| 0.000 | [CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(3OH) | CCS-type derivative / [2',3]-Isopropenylethanoflavone | Artobiloxanthone |
| 0.000 | [CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone | Cycloartobiloxanthone |
| 0.000 | [Flavonol (3-OMe)]-A(1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH) | Flavonol | Macaflavone II |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1(1-(p-Hydroxyphenyl)ethyl))-B(1OMe) | Flavonol | Haplopappin |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1(1-(p-Hydroxyphenyl)ethyl))-B(1OMe) | Flavonol | Haplopappin A |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(2OH, 1OMe) | Flavonol | 3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavonol | Digicitrin |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OMe) | Flavonol | 5,7-Dihydroxy-3,6,8,3',4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 2OMe) | Flavonol | 5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 2OMe)-B(3OMe) | Flavonol | 5,7-Dihydroxy-3,6,8,2',4',5'-hexamethoxyflavone |
| 0.000 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Mundulone |
| 0.000 | [Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe) | Isoflavone | Auriculin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 4-Hydroxy-3-phenylcoumarin | Scandenin |
| 0.000 | [4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH) | 4-Hydroxy-3-phenylcoumarin | Lonchocarpic acid |
| Level: 3, プリカーサーm/z: 417.28281 |
| Splash: splash10-001j-0098000000-147dafdb9502734a08aa |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 233.12 | 584 | 184 | 1000 |
| 399.26 | 302 | 18 | 516 |
| 387.28 | 115 | 30 | 197 |
| 262.97 | 110 | 154 | 187 |
| 235.16 | 97 | 182 | 166 |
| 245.14 | 80 | 172 | 136 |
| 339.18 | 78 | 78 | 133 |
| 166.93 | 72 | 250 | 123 |
| 367.17 | 71 | 50 | 121 |
| 355.26 | 71 | 62 | 120 |
| 352.08 | 70 | 65 | 119 |
| 205.13 | 66 | 212 | 112 |
| 371.27 | 61 | 46 | 104 |
| 381.33 | 59 | 36 | 101 |
| 218.10 | 48 | 199 | 81 |
| 368.15 | 44 | 49 | 74 |
| 231.03 | 42 | 186 | 71 |
| 384.53 | 39 | 33 | 67 |
| 323.34 | 39 | 94 | 66 |
| 207.09 | 38 | 210 | 65 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.086 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Munetone |
| 0.040 | [Flavone]-A(1OH, 1(C-Glu))-B(1OH) | Flavone | Bayin |
| 0.040 | [Flavone]-A(2OH, 1(C-Glu))-B(none) | Flavone | Chrysin 6-C-beta-D-glucopyranoside |
| 0.040 | [Flavone]-A(2OH, 1(C-Glu))-B(none) | Flavone | Chrysin 8-C-beta-D-glucopyranoside |
| 0.040 | [Isoflavone]-A(1OH, 1(C-Glu))-B(1OH) | Isoflavone | 8-Glucosyldaidzein |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OH) | Flavone | Isomolludistin |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1(C-Arabinosyl))-B(1OH) | Flavone | Molludistin |
| 0.000 | [Flavone]-A(2OH, 1(C-Rhamnosyl))-B(1OH) | Flavone | Isofurcatain |
| 0.000 | [Flavone]-A(4OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavone | Eupalestin |
| 0.000 | [Flavonol]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(1OH) | Flavonol | Calomelanol D |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1(3-hydroxy-3-methylbutyl)) | Flavonol | Aliarin |
| 0.000 | [Flavonol]-A(1OH, 2OMe)-B(1OH, 1(4-hydroxy-3-methylbutyl)) | Flavonol | 3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one |
| 0.000 | [Flavonol (3-OMe)]-A(4OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Melibentin |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(2OMe) | Flavonol | Melicophyllin |
| 0.000 | [6-Hydroxyrotenone]-A(1OH, 1OMe)-B(2OMe)-C(1(O-Acetyl)) | 6-Hydroxyrotenone | Dihydrostemonal 6-O-acetate |
| 0.000 | [4-phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Tiglyl)-B(none) | 4-phenylcoumarin | Apetalolide |