ピーク情報
|
ポプラ, 幼植物, 地上部
pos
|
| Peak #7031 MN MID: SE205_S08_M90 |
| m/z: 435.16526, RT: 60.15, 強度: 14419, ログ強度: 0.56, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| 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: 0.100, MS3: 0.154 |
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 | 0.703 | beta-Hydroxy-2,3,4,5,2',4',5'-heptamethoxychalcone | FlavonoidViewer: FL1CHYNS0006 KNApSAcK: C00006998 LipidMAPS: LMPK12120400 |
| C22H26O9 | 434.15768 | 0.703 | 5,6,7,2',3',4',5'-Heptamethoxyflavanone | FlavonoidViewer: FL2FELNS0001 KNApSAcK: C00008348 LipidMAPS: LMPK12140640 |
| C22H26O9 | 434.15768 | 0.703 | 6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone | FlavonoidViewer: FL1CELNS0001 KNApSAcK: C00006991 LipidMAPS: LMPK12120351 |
| C22H26O9 | 434.15768 | 0.703 | Neoraufuracin | FlavonoidViewer: FL1AUNGS0001 KNApSAcK: C00008062 LipidMAPS: LMPK12130057 |
| C22H26O9 | 434.15768 | 0.703 | 5,6,7,8,3',4',5'-Heptamethoxyflavanone | FlavonoidViewer: FL2FGGNS0002 KNApSAcK: C00008417 LipidMAPS: LMPK12140688 |
| C22H26O9 | 434.15768 | 0.703 | 4'-O-Methyldavidioside | FlavonoidViewer: FL1D1AGS0003 KNApSAcK: C00007990 LipidMAPS: LMPK12120447 |
| C22H26O9 | 434.15768 | 0.703 | Scorzodihydrostilbene C | KNApSAcK: C00047562 |
| C22H26O9 | 434.15768 | 0.703 | Eleganin | KEGG: C09401 KNApSAcK: C00003253 |
| C22H26O9 | 434.15768 | 0.703 | EI 2346 | KNApSAcK: C00015018 |
| C22H26O9 | 434.15768 | 0.703 | Lophodiol B | KNApSAcK: C00039653 |
| C22H26O9 | 434.15768 | 0.703 | Zoapatanolide C | KNApSAcK: C00020694 |
| C22H26O9 | 434.15768 | 0.703 | chrysoeriol 6-hexoside (use chrysoeriol_6_glucoside.mol) | HMDB: HMDB0304573 |
| C22H26O9 | 434.15768 | 0.703 | Ferupennin F | KNApSAcK: C00045937 |
| C22H26O9 | 434.15768 | 0.703 | Fluctuadin | KNApSAcK: C00011879 |
| C22H26O9 | 434.15768 | 0.703 | Crocin 5 | HMDB: HMDB0250541 |
| C22H26O9 | 434.15768 | 0.703 | Melcanthin D | KNApSAcK: C00012288 |
| C22H26O9 | 434.15768 | 0.703 | Jamaicolide B | KNApSAcK: C00020456 |
| C22H26O9 | 434.15768 | 0.703 | Liscunditrin | KNApSAcK: C00011751 |
| C22H26O9 | 434.15768 | 0.703 | (3R)-Vestitol 7-O-glucoside | HMDB: HMDB0033012 KNApSAcK: C00049058 |
| C22H26O9 | 434.15768 | 0.703 | Exfoliamycin | KNApSAcK: C00016791 |
| C22H26O9 | 434.15768 | 0.703 | Daldinin C | KNApSAcK: C00052998 |
| C22H26O9 | 434.15768 | 0.703 | Graminiliatrin | KEGG: C09469 KNApSAcK: C00003295 |
| C23H22O5N4 | 434.15902 | -2.377 | Psychrophilin B | KNApSAcK: C00026703 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 435.16504 |
| Splash: splash10-00di-0090100000-b17abedb573a11e9a4d4 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 273.06 | 6565 | 162 | 1000 |
| 417.14 | 1377 | 18 | 209 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.100 | [2'-Hydroxychalcone]-A(1OH, 3OMe)-B(4OMe) | 2'-Hydroxychalcone | 6'-Hydroxy-2,3,4,5,2',3',4'-heptamethoxychalcone |
| 0.083 | [Flavanone]-A(3OMe)-B(4OMe) | Flavanone | 5,6,7,2',3',4',5'-Heptamethoxyflavanone |
| 0.083 | [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: 273.06976 |
| Splash: splash10-0uec-0900000000-216639ee828f71fb71b3 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 104.97 | 1023 | 168 | 1000 |
| 140.90 | 871 | 132 | 851 |
| 132.91 | 514 | 140 | 501 |
| 255.14 | 58 | 18 | 56 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.400 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | Uvangoletin |
| 0.400 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxydihydrochalcone |
| 0.167 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydrobaicalein |
| 0.167 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydronorwogonin |
| 0.143 | [Dihydroflavonol]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin |
| 0.143 | [Dihydroflavonol]-A(1OH)-B(1OH) | Dihydroflavonol | Garbanzol |
| 0.125 | [Flavan 3-ol]-A(1OMe)-B(1OH) | Flavan 3-ol | Guibourtinidol-7-methyl ether |
| 0.083 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | Naringenin chalcone |
| 0.083 | [Isoflavanone]-A(1OH)-B(2OH) | Isoflavanone | 2'-Hydroxydihydrodaidzein |
| 0.077 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,8,4'-Trihydroxyflavanone |
| 0.077 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,2'-Trihydroxyflavanone |
| 0.077 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,3'-Trihydroxyflavanone |
| 0.077 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | Naringenin |
| 0.067 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Pseudosindorin |
| 0.067 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Butein |
| 0.067 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | 2,4,2',4'-Tetrahydroxychalcone |
| 0.067 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3',4'-Tetrahydroxychalcone |
| 0.063 | [Flavanone]-A(1OH)-B(2OH) | Flavanone | Butin |
| 0.063 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 7,8,4'-Trihydroxyflavanone |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Vestitol |
| 0.000 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Isovestitol |
| 0.000 | [Isoflavan]-A(1OMe)-B(2OH) | Isoflavan | Neovestitol |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | Loureirin C |
| 0.000 | [Dihydrochalcone]-A(1OH)-B(1OH, 1OMe) | Dihydrochalcone | 2,4'-Dihydroxy-4-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(1OH, 1OMe)-B(1OH) | Dihydrochalcone | 4'-O-Methyldavidigenin |
| 0.000 | [Pterocarpan]-A(2OH)-B(1OH) | Pterocarpan | 4-Hydroxydemethylmedicarpin |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH) | beta-Hydroxy(or Oxodihydro)chalcone | Licodione |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OH)-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | 2',4',6',beta-Tetrahydroxychalcone |
| 0.000 | [Dihydrochalcone]-A(3OH, 1Methyl)-B(none) | Dihydrochalcone | 3'-Methyl-2',4',6'-trihydroxydihydrochalcone |
| 0.000 | [2-Hydroxyflavanone]-A(2OH)-B(none) | 2-Hydroxyflavanone | 2,5,7-Trihydroxyflavanone (2beta) |
| 0.000 | [Flavan]-A(1OMe)-B(2OH) | Flavan | 3',4'-Dihydroxy-7-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,4'-Dihydroxy-3'-methoxyflavan |
| 0.000 | [Flavan]-A(1OH)-B(1OH, 1OMe) | Flavan | 7,3'-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Flavan]-A(2OH)-B(1OMe) | Flavan | 5,7-Dihydroxy-4'-methoxyflavan |
| 0.000 | [Pterocarpan-6a-ol]-A(1OH)-B(1OH) | Pterocarpan-6a-ol | Glycinol |
| 0.000 | [alpha-Methyldeoxybenzoin]-A(2OH)-B(1OMe) | alpha-Methyldeoxybenzoin | Angolensin |
| Level: 3, プリカーサーm/z: 417.07773 |
| Splash: splash10-0012-0029000000-2aa3aa97a031901f3a58 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 381.09 | 175 | 36 | 1000 |
| 399.08 | 160 | 18 | 914 |
| 339.13 | 133 | 78 | 756 |
| 297.20 | 87 | 120 | 494 |
| 351.31 | 76 | 66 | 432 |
| 273.16 | 33 | 144 | 190 |
| 368.69 | 27 | 48 | 153 |
| 306.86 | 11 | 110 | 63 |
| 286.92 | 10 | 130 | 58 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.364 | [Flavone]-A(1OH, 1(C-Glu))-B(1OH) | Flavone | Bayin |
| 0.364 | [Flavone]-A(2OH, 1(C-Glu))-B(none) | Flavone | Chrysin 6-C-beta-D-glucopyranoside |
| 0.364 | [Flavone]-A(2OH, 1(C-Glu))-B(none) | Flavone | Chrysin 8-C-beta-D-glucopyranoside |
| 0.364 | [Isoflavone]-A(1OH, 1(C-Glu))-B(1OH) | Isoflavone | 8-Glucosyldaidzein |
| 0.038 | [Isoflavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano))) | Isoflavone | Munetone |
| 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 |