ピーク情報
|
はつか大根 根
pos
|
| Peak #3016 MN MID: SE202_S11_M90 |
| m/z: 291.08648, RT: 35.18, 強度: 12549, ログ強度: 0.65, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (46 names) Gerfelin;QN 22074-5A;Corynether A;gamma-Pyrufuran;Plumericin;Officinalin isobutyrate;Oritin-4beta-ol;Ptaeroglycol;Mikanolide;p-coumaroyltriacetate;Cartorimine;6-Hydroxy-alpha-pyrufuran;Photinide C;(+)... |
| DBごとのヒット数: ALL 38 KG 9 KN 23 HM 6 |
| FlavonoidSearch最大スコア MS2: 0.143, MS3: 0.375 |
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 |
|---|---|---|---|---|
| C15H14O6 | 290.07904 | 0.566 | Gerfelin | KNApSAcK: C00014943 |
| C15H14O6 | 290.07904 | 0.566 | Corynether A | KNApSAcK: C00048364 |
| C15H14O6 | 290.07904 | 0.566 | gamma-Pyrufuran | HMDB: HMDB0030131 |
| C15H14O6 | 290.07904 | 0.566 | Oritin-4beta-ol | FlavonoidViewer: FL6D3ANS0001, FL6D3ANS0002, FL6D3ANS0003 KNApSAcK: C00009004, C00009005, C00009006 LipidMAPS: LMPK12020186, LMPK12020187, LMPK12020188 |
| C15H14O6 | 290.07904 | 0.566 | Isoplumericin | KEGG: C09787, C09796 KNApSAcK: C00003087, C00003095 |
| C15H14O6 | 290.07904 | 0.566 | Officinalin isobutyrate | KNApSAcK: C00035708 |
| C15H14O6 | 290.07904 | 0.566 | p-coumaroyltriacetate | HMDB: [-1]HMDB0304446 |
| C15H14O6 | 290.07904 | 0.566 | Ptaeroglycol | KEGG: C09030 KNApSAcK: C00002442 |
| C15H14O6 | 290.07904 | 0.566 | Mikanolide | KEGG: C09511 KNApSAcK: C00003332 |
| C15H14O6 | 290.07904 | 0.566 | Cartorimine | HMDB: HMDB0035399 KNApSAcK: C00046653 |
| C15H14O6 | 290.07904 | 0.566 | 6-Hydroxy-alpha-pyrufuran | HMDB: HMDB0041293 |
| C15H14O6 | 290.07904 | 0.566 | Photinide C | KNApSAcK: C00048059, C00048060 |
| C15H14O6 | 290.07904 | 0.566 | Javanicin | KNApSAcK: C00023706 |
| C15H14O6 | 290.07904 | 0.566 | 3,4,5,2',4'-Flavanpentol | KNApSAcK: C00020274 |
| C15H14O6 | 290.07904 | 0.566 | Luteoforol | FlavonoidViewer: FL64ACNS0001 HMDB: HMDB0041310 KEGG: C05907 KNApSAcK: C00008977 LipidMAPS: LMPK12020170 |
| C15H14O6 | 290.07904 | 0.566 | Nubigenol | FlavonoidViewer: FL1DHXNS0007 KEGG: C22565 KNApSAcK: C00007951 LipidMAPS: LMPK12120579 |
| C15H14O6 | 290.07904 | 0.566 | Neoliacin | KNApSAcK: C00012321 |
| C15H14O6 | 290.07904 | 0.566 | (S)-1,4-Dihydro-b,5-dihydroxy-3-methyl-1,4-dioxo-2-naphthalenebutanoic acid | KNApSAcK: C00016676 |
| C15H14O6 | 290.07904 | 0.566 | Marshrin | HMDB: HMDB0033783 |
| C15H14O6 | 290.07904 | 0.566 | Fisetinidol-4beta-ol | FlavonoidViewer: FL6D1CNS0001, FL6D1CNS0002, FL6D1CNS0003, FL6D1CNS0004, FL6D1CNS0005 KEGG: C09736 KNApSAcK: C00000962, C00008996, C00008997, C00008998, C00008999 LipidMAPS: LMPK12020178, LMPK12020179, LMPK12020180, LMPK12020181, LMPK12020182 |
| C15H14O6 | 290.07904 | 0.566 | [3aR-(3aalpha,3bbeta,7aalpha,8aalpha,8bbeta,8cbeta,9abeta)]-3a,3b,7a,8a,8b,8c,9,9a-Octahydro-8b-methyl-3-methylene-5H-difuro[4,3,2-ef:3',2'-h]oxireno[a][3]benzoxepin-2,5(3H)-dione | KNApSAcK: C00012047 |
| C15H14O6 | 290.07904 | 0.566 | Pleosporone | KNApSAcK: C00047335, C00048824 |
| C15H14O6 | 290.07904 | 0.566 | Quinone A | HMDB: HMDB0257051 |
| C15H14O6 | 290.07904 | 0.566 | (2R-cis)-2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol | FlavonoidViewer: FL63A8NS0001 KNApSAcK: C00013249 LipidMAPS: LMPK12020022 |
| C15H14O6 | 290.07904 | 0.566 | 3,4,2',4',alpha-Pentahydroxydihydrochalcone | FlavonoidViewer: FL1DHXNS0008 KNApSAcK: C00014609 LipidMAPS: LMPK12120580 |
| C15H14O6 | 290.07904 | 0.566 | epsilon-Cotonefuran | KNApSAcK: C00047862 |
| C15H14O6 | 290.07904 | 0.566 | Mesquitol | FlavonoidViewer: FL633CNS0001 KNApSAcK: C00008827 LipidMAPS: LMPK12020021 |
| C15H14O6 | 290.07904 | 0.566 | 3-Hydroxyphloretin | FlavonoidViewer: FL1DACNS0001 HMDB: HMDB0029253 KEGG: C22567 KNApSAcK: C00007942 LipidMAPS: LMPK12120534 |
| C15H14O6 | 290.07904 | 0.566 | 2,8-Dihydroxy-3,4,7-trimethoxy-dibenzofuran | HMDB: HMDB0301847 KEGG: C08742 KNApSAcK: C00002396 |
| C15H14O6 | 290.07904 | 0.566 | Corymbiferan lactone C | KNApSAcK: C00043409 |
| C15H14O6 | 290.07904 | 0.566 | Leucopelargonidin | FlavonoidViewer: FL6DAANS0001 HMDB: HMDB0032322 KEGG: C03648 KNApSAcK: C00020638 |
| C15H14O6 | 290.07904 | 0.566 | Fonsecin | HMDB: HMDB0034124 KNApSAcK: C00000559 |
| C15H14O6 | 290.07904 | 0.566 | Altenusin | KNApSAcK: C00023666 |
| C15H14O6 | 290.07904 | 0.566 | Catechin | FlavonoidViewer: FL63ACNS0001, FL63ACNS0002, FL63ACNS0003, FL63ACNS0004 HMDB: HMDB0001871, HMDB0002780, HMDB0037954 KEGG: C17590, C06562, C09727, C14079, C09728 KNApSAcK: C00000947, C00000956, C00000957, C00008808 LipidMAPS: LMPK12020001, LMPK12020003 |
| C15H14O6 | 290.07904 | 0.566 | Robinetinidol | FlavonoidViewer: FL631GNS0001, FL631GNS0002 KNApSAcK: C00008825, C00008826 LipidMAPS: LMPK12020017, LMPK12020018 |
| C15H14O6 | 290.07904 | 0.566 | (2R,3R)-3,5,7,3',5'-Pentahydroxyflavan | FlavonoidViewer: FL63A9NS0002 KNApSAcK: C00008828 LipidMAPS: LMPK12020024 |
| C15H14O6 | 290.07904 | 0.566 | alpha-Cotonefuran | HMDB: HMDB0030144 KEGG: C08739 KNApSAcK: C00002393 |
| C16H10O2N4 | 290.08038 | -4.045 | Ferene triazine | HMDB: HMDB0252233 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 291.08630 |
| Splash: splash10-00di-0390000000-3242e28307db5a8448c7 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 273.05 | 8422 | 18 | 1000 |
| 155.02 | 2484 | 136 | 294 |
| 106.96 | 1217 | 184 | 144 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.143 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | Mesquitol |
| 0.143 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | 2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol |
| 0.143 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | 3,5,7,3',5'-Pentahydroxyflavan |
| 0.143 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | Catechin |
| 0.143 | [Flavan 3-ol]-A(1OH)-B(3OH) | Flavan 3-ol | Robinetinidol |
| 0.000 | [Dihydrochalcone]-A(3OH)-B(2OH) | Dihydrochalcone | 3,4,2',4',6'-Pentahydroxydihydrochalcone |
| 0.000 | [Dihydrochalcone alpha-ol]-A(3OH)-B(1OH) | Dihydrochalcone alpha-ol | Nubigenol |
| 0.000 | [Dihydrochalcone alpha-ol]-A(2OH)-B(2OH) | Dihydrochalcone alpha-ol | 3,4,2',4',alpha-Pentahydroxydihydrochalcone |
| 0.000 | [Flavan 4-ol]-A(2OH)-B(2OH) | Flavan 4-ol | Luteoforol |
| 0.000 | [Flavan 3,4-diol]-A(1OH)-B(2OH) | Flavan 3,4-diol | 3,4,7,3',4'-Pentahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH) | Flavan 3,4-diol | 3,4,7,8,4'-Pentahydroxyflavan |
| 0.000 | [Flavan 3,4-diol]-A(2OH)-B(1OH) | Flavan 3,4-diol | 3,4,5,7,4'-Pentahydroxyflavan |
| Level: 3, プリカーサーm/z: 273.02908 |
| Splash: splash10-0a4j-0690000000-b11d3f99150282e6cff6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 255.04 | 588 | 18 | 1000 |
| 231.00 | 360 | 42 | 612 |
| 147.00 | 339 | 126 | 576 |
| 106.91 | 191 | 166 | 325 |
| 119.00 | 123 | 154 | 208 |
| 245.06 | 97 | 28 | 164 |
| 123.04 | 96 | 150 | 163 |
| 150.94 | 75 | 122 | 127 |
| 227.04 | 60 | 46 | 101 |
| 213.10 | 56 | 60 | 94 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.375 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3',4'-Tetrahydroxychalcone |
| 0.353 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 7,8,4'-Trihydroxyflavanone |
| 0.267 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | Naringenin chalcone |
| 0.267 | [Isoflavanone]-A(1OH)-B(2OH) | Isoflavanone | 2'-Hydroxydihydrodaidzein |
| 0.250 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,8,4'-Trihydroxyflavanone |
| 0.250 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,2'-Trihydroxyflavanone |
| 0.250 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 5,7,3'-Trihydroxyflavanone |
| 0.250 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | Naringenin |
| 0.231 | [Pterocarpan]-A(2OH)-B(1OH) | Pterocarpan | 4-Hydroxydemethylmedicarpin |
| 0.222 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Pseudosindorin |
| 0.222 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Butein |
| 0.222 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | 2,4,2',4'-Tetrahydroxychalcone |
| 0.211 | [Flavanone]-A(1OH)-B(2OH) | Flavanone | Butin |
| 0.154 | [Flavan 3-ol]-A(1OMe)-B(1OH) | Flavan 3-ol | Guibourtinidol-7-methyl ether |
| 0.111 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydrobaicalein |
| 0.111 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydronorwogonin |
| 0.083 | [Dihydrochalcone]-A(1OH, 1OMe)-B(1OH) | Dihydrochalcone | 4'-O-Methyldavidigenin |
| 0.077 | [Dihydroflavonol]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin |
| 0.077 | [Dihydroflavonol]-A(1OH)-B(1OH) | Dihydroflavonol | Garbanzol |
| 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(2OH, 1OMe)-B(none) | Dihydrochalcone | Uvangoletin |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe)-B(none) | Dihydrochalcone | 2',6'-Dihydroxy-4'-methoxydihydrochalcone |
| 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 | [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 |