ピーク情報
|
はつか大根 根
pos
|
| Peak #2158 MN MID: SE202_S11_M90 |
| m/z: 273.07572, RT: 28.61, 強度: 11540, ログ強度: 0.62, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 2 |
| DB検索結果: (45 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 37 KG 9 KN 23 HM 5 |
| FlavonoidSearch最大スコア MS2: 0.294, 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 |
|---|---|---|---|---|
| C15H14O6 | 290.07904 | -0.102 | Gerfelin | KNApSAcK: C00014943 |
| C15H14O6 | 290.07904 | -0.102 | Corynether A | KNApSAcK: C00048364 |
| C15H14O6 | 290.07904 | -0.102 | gamma-Pyrufuran | HMDB: HMDB0030131 |
| C15H14O6 | 290.07904 | -0.102 | Oritin-4beta-ol | FlavonoidViewer: FL6D3ANS0001, FL6D3ANS0002, FL6D3ANS0003 KNApSAcK: C00009004, C00009005, C00009006 LipidMAPS: LMPK12020186, LMPK12020187, LMPK12020188 |
| C15H14O6 | 290.07904 | -0.102 | Isoplumericin | KEGG: C09787, C09796 KNApSAcK: C00003087, C00003095 |
| C15H14O6 | 290.07904 | -0.102 | Officinalin isobutyrate | KNApSAcK: C00035708 |
| C15H14O6 | 290.07904 | -0.102 | p-coumaroyltriacetate | HMDB: [-1]HMDB0304446 |
| C15H14O6 | 290.07904 | -0.102 | Ptaeroglycol | KEGG: C09030 KNApSAcK: C00002442 |
| C15H14O6 | 290.07904 | -0.102 | Mikanolide | KEGG: C09511 KNApSAcK: C00003332 |
| C15H14O6 | 290.07904 | -0.102 | Cartorimine | HMDB: HMDB0035399 KNApSAcK: C00046653 |
| C15H14O6 | 290.07904 | -0.102 | 6-Hydroxy-alpha-pyrufuran | HMDB: HMDB0041293 |
| C15H14O6 | 290.07904 | -0.102 | Photinide C | KNApSAcK: C00048059, C00048060 |
| C15H14O6 | 290.07904 | -0.102 | Javanicin | KNApSAcK: C00023706 |
| C15H14O6 | 290.07904 | -0.102 | 3,4,5,2',4'-Flavanpentol | KNApSAcK: C00020274 |
| C15H14O6 | 290.07904 | -0.102 | Luteoforol | FlavonoidViewer: FL64ACNS0001 HMDB: HMDB0041310 KEGG: C05907 KNApSAcK: C00008977 LipidMAPS: LMPK12020170 |
| C15H14O6 | 290.07904 | -0.102 | Nubigenol | FlavonoidViewer: FL1DHXNS0007 KEGG: C22565 KNApSAcK: C00007951 LipidMAPS: LMPK12120579 |
| C15H14O6 | 290.07904 | -0.102 | Neoliacin | KNApSAcK: C00012321 |
| C15H14O6 | 290.07904 | -0.102 | (S)-1,4-Dihydro-b,5-dihydroxy-3-methyl-1,4-dioxo-2-naphthalenebutanoic acid | KNApSAcK: C00016676 |
| C15H14O6 | 290.07904 | -0.102 | Marshrin | HMDB: HMDB0033783 |
| C15H14O6 | 290.07904 | -0.102 | 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 | -0.102 | [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 | -0.102 | Pleosporone | KNApSAcK: C00047335, C00048824 |
| C15H14O6 | 290.07904 | -0.102 | Quinone A | HMDB: HMDB0257051 |
| C15H14O6 | 290.07904 | -0.102 | (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 | -0.102 | 3,4,2',4',alpha-Pentahydroxydihydrochalcone | FlavonoidViewer: FL1DHXNS0008 KNApSAcK: C00014609 LipidMAPS: LMPK12120580 |
| C15H14O6 | 290.07904 | -0.102 | epsilon-Cotonefuran | KNApSAcK: C00047862 |
| C15H14O6 | 290.07904 | -0.102 | Mesquitol | FlavonoidViewer: FL633CNS0001 KNApSAcK: C00008827 LipidMAPS: LMPK12020021 |
| C15H14O6 | 290.07904 | -0.102 | 3-Hydroxyphloretin | FlavonoidViewer: FL1DACNS0001 HMDB: HMDB0029253 KEGG: C22567 KNApSAcK: C00007942 LipidMAPS: LMPK12120534 |
| C15H14O6 | 290.07904 | -0.102 | 2,8-Dihydroxy-3,4,7-trimethoxy-dibenzofuran | HMDB: HMDB0301847 KEGG: C08742 KNApSAcK: C00002396 |
| C15H14O6 | 290.07904 | -0.102 | Corymbiferan lactone C | KNApSAcK: C00043409 |
| C15H14O6 | 290.07904 | -0.102 | Leucopelargonidin | FlavonoidViewer: FL6DAANS0001 HMDB: HMDB0032322 KEGG: C03648 KNApSAcK: C00020638 |
| C15H14O6 | 290.07904 | -0.102 | Fonsecin | HMDB: HMDB0034124 KNApSAcK: C00000559 |
| C15H14O6 | 290.07904 | -0.102 | Altenusin | KNApSAcK: C00023666 |
| C15H14O6 | 290.07904 | -0.102 | 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 | -0.102 | Robinetinidol | FlavonoidViewer: FL631GNS0001, FL631GNS0002 KNApSAcK: C00008825, C00008826 LipidMAPS: LMPK12020017, LMPK12020018 |
| C15H14O6 | 290.07904 | -0.102 | (2R,3R)-3,5,7,3',5'-Pentahydroxyflavan | FlavonoidViewer: FL63A9NS0002 KNApSAcK: C00008828 LipidMAPS: LMPK12020024 |
| C15H14O6 | 290.07904 | -0.102 | alpha-Cotonefuran | HMDB: HMDB0030144 KEGG: C08739 KNApSAcK: C00002393 |
| C16H10O2N4 | 290.08038 | -4.713 | Ferene triazine | HMDB: HMDB0252233 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 273.07559 |
| Splash: splash10-014j-0920000000-cbdcd3468a9dfd4446c3 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 118.93 | 11823 | 154 | 1000 |
| 146.85 | 6890 | 126 | 582 |
| 151.00 | 4429 | 122 | 374 |
| 243.05 | 2569 | 30 | 217 |
| 245.17 | 2548 | 28 | 215 |
| 122.95 | 2476 | 150 | 209 |
| 255.11 | 2325 | 18 | 196 |
| 231.05 | 1141 | 42 | 96 |
| 138.98 | 1019 | 134 | 86 |
| 107.03 | 965 | 166 | 81 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.294 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | 4,2',3',4'-Tetrahydroxychalcone |
| 0.278 | [Flavanone]-A(2OH)-B(1OH) | Flavanone | 7,8,4'-Trihydroxyflavanone |
| 0.267 | [Isoflavanone]-A(1OH)-B(2OH) | Isoflavanone | 2'-Hydroxydihydrodaidzein |
| 0.267 | [2'-Hydroxychalcone]-A(3OH)-B(1OH) | 2'-Hydroxychalcone | Naringenin chalcone |
| 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 |
| 0.158 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Pseudosindorin |
| 0.158 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | Butein |
| 0.158 | [2'-Hydroxychalcone]-A(2OH)-B(2OH) | 2'-Hydroxychalcone | 2,4,2',4'-Tetrahydroxychalcone |
| 0.154 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Vestitol |
| 0.154 | [Isoflavan]-A(1OH)-B(1OH, 1OMe) | Isoflavan | Isovestitol |
| 0.154 | [Isoflavan]-A(1OMe)-B(2OH) | Isoflavan | Neovestitol |
| 0.150 | [Flavanone]-A(1OH)-B(2OH) | Flavanone | Butin |
| 0.111 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydrobaicalein |
| 0.111 | [Flavanone]-A(3OH)-B(none) | Flavanone | Dihydronorwogonin |
| 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 | [Dihydrochalcone]-A(1OH, 1OMe)-B(1OH) | Dihydrochalcone | 4'-O-Methyldavidigenin |
| 0.000 | [Dihydroflavonol]-A(2OH)-B(none) | Dihydroflavonol | Pinobanksin |
| 0.000 | [Dihydroflavonol]-A(1OH)-B(1OH) | Dihydroflavonol | Garbanzol |
| 0.000 | [Flavan 3-ol]-A(1OMe)-B(1OH) | Flavan 3-ol | Guibourtinidol-7-methyl ether |
| 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: 118.93400 |
| Splash: splash10-0006-9000000000-c470998dc4a8c2166aaf |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 90.92 | 264 | 28 | 1000 |
FlavonoidSearch結果
ヒットなし
関連ピーク情報
| ピーク番号 | 保持時間 (min) | m/z | m/z差分 | ログ強度 | アダクト | DB検索結果 | ヒット数 | MSn | FS2 | FS3 | N原子数 | S原子数 | 共有数 |
|---|