ピーク情報
|
よもぎ 葉 生
pos
|
| Peak #6834 MN MID: SE116_S063011_M90 |
| m/z: 305.13832, RT: 60.60, 強度: 16148, ログ強度: 0.72, 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: (41 names) 8,10-Epoxy-9-acetoxythymol angelate;Pestalotiopsone F;3',4'-Dihydroxy-3,4,5-trimethoxybibenzyl;Combretastatin B3;Strychnistenolide acetate;Kandavanolide;8beta-Hydroxyzaluzanin D;Calbertolide A;Combret... |
| DBごとのヒット数: ALL 31 KG 2 KN 28 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 |
|---|---|---|---|---|
| C17H20O5 | 304.13107 | -0.110 | 8,10-Epoxy-9-acetoxythymol angelate | KNApSAcK: C00042178 |
| C17H20O5 | 304.13107 | -0.110 | Pestalotiopsone F | KNApSAcK: C00047538 |
| C17H20O5 | 304.13107 | -0.110 | 3',4'-Dihydroxy-3,4,5-trimethoxybibenzyl | KNApSAcK: C00015305 |
| C17H20O5 | 304.13107 | -0.110 | Strychnistenolide acetate | KNApSAcK: C00046436 |
| C17H20O5 | 304.13107 | -0.110 | Kandavanolide | KNApSAcK: C00020515 |
| C17H20O5 | 304.13107 | -0.110 | Calbertolide A | KNApSAcK: C00012390 |
| C17H20O5 | 304.13107 | -0.110 | Combretastatin B2 | KNApSAcK: C00015206 |
| C17H20O5 | 304.13107 | -0.110 | Oleocanthal | HMDB: HMDB0029305, HMDB0037494, HMDB0255942, HMDB0304712 KNApSAcK: C00053596 |
| C17H20O5 | 304.13107 | -0.110 | Murpanicin | KNApSAcK: C00051668 |
| C17H20O5 | 304.13107 | -0.110 | Montanone | KNApSAcK: C00020805 |
| C17H20O5 | 304.13107 | -0.110 | 8alpha-Acetoxy-1beta,10beta-epoxy-3,11(13)-guaiadien-12,6alpha-olide | KNApSAcK: C00020620 |
| C17H20O5 | 304.13107 | -0.110 | Antibiotic LL-Z 1271alpha | KNApSAcK: C00023408 |
| C17H20O5 | 304.13107 | -0.110 | 8alpha-Acetoxyzaluzanin C | KNApSAcK: C00020510 |
| C17H20O5 | 304.13107 | -0.110 | Linifolin B | KNApSAcK: C00021135 |
| C17H20O5 | 304.13107 | -0.110 | Athamontanolide | KNApSAcK: C00020522 |
| C17H20O5 | 304.13107 | -0.110 | Arteglasin A | KEGG: C09303 KNApSAcK: C00003219 |
| C17H20O5 | 304.13107 | -0.110 | Matricarin | HMDB: HMDB0035790 KNApSAcK: C00020818, C00020820 |
| C17H20O5 | 304.13107 | -0.110 | Aloifol II | KNApSAcK: C00015530 |
| C17H20O5 | 304.13107 | -0.110 | Tubipolide C | KNApSAcK: C00046477 |
| C17H20O5 | 304.13107 | -0.110 | Chrysanolide | KNApSAcK: C00012333 |
| C17H20O5 | 304.13107 | -0.110 | Angustibalin | KEGG: C09293, C09496 KNApSAcK: C00003211, C00003318, C00021118, C00021120 |
| C17H20O5 | 304.13107 | -0.110 | 1-Acetoxypinnatifidin | KNApSAcK: C00054582 |
| C17H20O5 | 304.13107 | -0.110 | 3,4'-Dihydroxy-3',5,5'-trimethoxybibenzyl | KNApSAcK: C00015307 |
| C17H20O5 | 304.13107 | -0.110 | Dendrocandin A | KNApSAcK: C00030110 |
| C17H20O5 | 304.13107 | -0.110 | 3,4'-Dihydroxy-3',4,5-trimethoxybibenzyl | KNApSAcK: C00015306 |
| C17H20O5 | 304.13107 | -0.110 | 2beta-Acetoxy-3alpha,4alpha-epoxy-3,4-dihydrokauniolide | KNApSAcK: C00020622, C00020625 |
| C17H20O5 | 304.13107 | -0.110 | 6-Acetylferulidin | KNApSAcK: C00020946 |
| C17H20O5 | 304.13107 | -0.110 | [1aS-(1aalpha,4alpha,4aalpha,5alpha,9aS*)]-5-(Acetyloxy)-1a,2,3,4,4a,5-hexahydro-4,4a,6-trimethyl-9H-oxireno[8,8a]naphtho[2,3-b]furan-9-one | KNApSAcK: C00017429 |
| C17H20O5 | 304.13107 | -0.110 | Avicenol A | KNApSAcK: C00032745 |
| C17H20O5 | 304.13107 | -0.110 | Virolanol C | KNApSAcK: C00040640 |
| C18H16ON4 | 304.13241 | -4.508 | Furamidine | HMDB: HMDB0252530 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 305.13843 |
| Splash: splash10-0002-0090000000-2ad53126b3c224e27775 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 245.08 | 2391 | 60 | 1000 |
| 246.32 | 184 | 59 | 76 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none) | Flavone | 6'',6''-Dimethylpyrano[2'',3'':7,8]flavone |
| 0.000 | [Isoflavan]-A(2OH)-B(2OH, 1OMe) | Isoflavan | 3',8-Dihydroxyvestitol |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(2OH) | Dihydroflavonol | 3,5,7,3',5'-Pentahydroxyflavanone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(2OH) | Dihydroflavonol | Taxifolin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(2OH) | Dihydroflavonol | Dihydromorin |
| 0.000 | [Dihydroflavonol]-A(3OH)-B(1OH) | Dihydroflavonol | 3,5,7,8,4'-Pentahydroxyflavanone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(2OH) | Dihydroflavonol | 8-Hydroxyfustin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(2OH) | Dihydroflavonol | 3,5,7,2',5'-Pentahydroxyflavanone |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(2OH) | Dihydroflavonol | 3,5,7,2',6'-Pentahydroxyflavanone |
| 0.000 | [Dihydroflavonol]-A(1OH)-B(3OH) | Dihydroflavonol | Dihydrorobinetin |
| 0.000 | [Flavanone]-A(2OH)-B(3OH) | Flavanone | 5,7,3',4',5'-Pentahydroxyflavanone |
| 0.000 | [2'-Hydroxychalcone]-A(3OH)-B(3OH) | 2'-Hydroxychalcone | 3,4,5,2',4',6'-Hexahydroxychalcone |
| 0.000 | [Flavan 3-ol]-A(1OH, 1OMe)-B(2OH) | Flavan 3-ol | Catechin-7-methyl ether |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(1OH, 1OMe) | Flavan 3-ol | Symplocosidin |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(1OH, 1OMe) | Flavan 3-ol | Catechin 4'-methyl ether |
| 0.000 | [Flavan 3-ol]-A(2OH)-B(1OH, 1OMe) | Flavan 3-ol | Catechin-3'-methyl ether |
| 0.000 | [Auronol]-A(2OH)-B(2OH) | Auronol | Nigrescin |
| 0.000 | [Auronol]-A(2OH)-B(2OH) | Auronol | Alphitonin |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone]-A(3OH)-B(2OH) | beta-Hydroxy(or Oxodihydro)chalcone | 3,4,2',4',6',beta-Hexahydroxychalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(2OH) | Dihydrochalcone alpha-ol | 3,4,4',alpha-Tetrahydroxy-2'-methoxydihydrochalcone |
| 0.000 | [Dihydrochalcone beta-ol]-A(2OH, 1OMe)-B(1OH) | Dihydrochalcone beta-ol | 4,2',4',beta-Tetrahydroxy-6'-methoxydihydrochalcone |
| 0.000 | [2-Hydroxyflavanone]-A(2OH)-B(2OH) | 2-Hydroxyflavanone | 2,5,7,3',4'-Pentahydroxyflavanone |
| 0.000 | [Flavone]-A(2OH, 1Cl)-B(1OH) | Flavone | 6-Chloroapigenin |
| 0.000 | [Flavan 3,4-diol]-A(1OH, 1OMe)-B(1OH) | Flavan 3,4-diol | Ortin-4alpha-ol 8-methyl ether |