ピーク情報
|
はつか大根 葉
pos
|
| Peak #9401 MN MID: SE202_S21_M90 |
| m/z: 309.20617, RT: 69.76, 強度: 9488, ログ強度: 0.52, 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: (27 names) (6E,8E,10R,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid;(S,E)-11-((1R,5R)-5-ethyl-4-oxocyclopent-2-en-1-yl)-9-hydroxyundec-10-enoic acid;14,15,-Bisnor-8(17)-labdene-16,19-dioic acid;[7]-Gingerol;5-O-Met... |
| DBごとのヒット数: ALL 25 KG 2 KN 10 HM 4 LM 9 |
| FlavonoidSearch最大スコア MS2: 0.059, MS3: 0.111 |
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 |
|---|---|---|---|---|
| C18H28O4 | 308.19876 | 0.444 | (6E,8E,10R,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid | HMDB: HMDB0062357, HMDB0062359 |
| C18H28O4 | 308.19876 | 0.444 | 2E-Octadecene-4-ynedioic acid | LipidMAPS: LMFA01170160 |
| C18H28O4 | 308.19876 | 0.444 | 8-[5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid | LipidMAPS: LMFA02010024 |
| C18H28O4 | 308.19876 | 0.444 | (S,E)-11-((1R,5R)-5-ethyl-4-oxocyclopent-2-en-1-yl)-9-hydroxyundec-10-enoic acid | LipidMAPS: LMFA02030069, LMFA02030070, LMFA02030073, LMFA02030074 |
| C18H28O4 | 308.19876 | 0.444 | 14,15,-Bisnor-8(17)-labdene-16,19-dioic acid | KNApSAcK: C00032600 |
| C18H28O4 | 308.19876 | 0.444 | [7]-Gingerol | HMDB: HMDB0302128 KNApSAcK: C00035448 |
| C18H28O4 | 308.19876 | 0.444 | 5-O-Methylembelin | HMDB: HMDB0040867 KEGG: C10373 KNApSAcK: C00002842 LipidMAPS: LMPK15050007 |
| C18H28O4 | 308.19876 | 0.444 | 12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid | KNApSAcK: C00000404 |
| C18H28O4 | 308.19876 | 0.444 | Corchorifatty acid A | HMDB: HMDB0032664 |
| C18H28O4 | 308.19876 | 0.444 | 8-((1S,2S)-2-((S,E)-3-hydroxypent-1-en-1-yl)-5-oxocyclopent-3-en-1-yl)octanoic acid | LipidMAPS: LMFA02030059, LMFA02030060, LMFA02030063, LMFA02030064 |
| C18H28O4 | 308.19876 | 0.444 | Corchorifatty acid B | HMDB: HMDB0033243 KNApSAcK: C00048361 |
| C18H28O4 | 308.19876 | 0.444 | Diplodiatoxin | HMDB: HMDB0031471 |
| C18H28O4 | 308.19876 | 0.444 | 16-B1-phytoprostane | HMDB: HMDB0304634 LipidMAPS: LMFA02030004, LMFA02030006 |
| C18H28O4 | 308.19876 | 0.444 | (10E,12E)-9,14-Dioxo-10,12-octadecadienoic acid | KNApSAcK: C00029308 |
| C18H28O4 | 308.19876 | 0.444 | 8-((1R,5R)-5-((S,E)-3-hydroxypent-1-en-1-yl)-4-oxocyclopent-2-en-1-yl)octanoic acid | LipidMAPS: LMFA02030067, LMFA02030068, LMFA02030071, LMFA02030072 |
| C18H28O4 | 308.19876 | 0.444 | [1R-(1alpha,4beta,4abeta,6alpha,8aalpha)]-4-Ethoxy-1,2,3,4,4a,5,6,8a-octahydro-6-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester | KNApSAcK: C00020745 |
| C18H28O4 | 308.19876 | 0.444 | 12-oxo-9R-hydroxy-10E,15Z-octadecadien-13R-olide | LipidMAPS: LMFA07040154, LMFA07040155 |
| C18H28O4 | 308.19876 | 0.444 | Methylgingerol | HMDB: HMDB0029852 |
| C18H28O4 | 308.19876 | 0.444 | 7-[(1R,2S,3S,5S)-3-[(1S,2R)-2-[(1R)-1-Hydroxypropyl]cyclopropyl]-6Z-oxabicyclo[3.1.0]hexan-2-yl]hept-6-enoic acid | LipidMAPS: LMFA02000374, LMFA02000375 |
| C18H28O4 | 308.19876 | 0.444 | Soraphen O | KEGG: C15818 |
| C18H28O4 | 308.19876 | 0.444 | Ostopanic acid | KNApSAcK: C00030901 |
| C18H28O4 | 308.19876 | 0.444 | Litseakolide A | KNApSAcK: C00042702 |
| C18H28O4 | 308.19876 | 0.444 | 11-(2-ethyl-3-oxocyclopent-1-en-1-yl)-9S-hydroxyundec-10E-enoic acid | LipidMAPS: LMFA02030003, LMFA02030005 |
| C18H28O4 | 308.19876 | 0.444 | (S,E)-11-((1S,2S)-2-ethyl-5-oxocyclopent-3-en-1-yl)-9-hydroxyundec-10-enoic acid | LipidMAPS: LMFA02030061, LMFA02030062, LMFA02030065, LMFA02030066 |
| C18H28O4 | 308.19876 | 0.444 | Dihydrocapsiate | HMDB: HMDB0034781 KNApSAcK: C00053982 |
| C18H28O4 | 308.19876 | 0.444 | Albocycline | KNApSAcK: C00022138 |
| C18H28O4 | 308.19876 | 0.444 | (S,E)-11-(2-ethyl-5-oxocyclopent-1-en-1-yl)-9-hydroxyundec-10-enoic acid | LipidMAPS: LMFA02030025, LMFA02030026 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 309.20587 |
| Splash: splash10-0006-0090000000-ef86d49013aa1fdb07bc |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 291.21 | 8546 | 18 | 1000 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.059 | [Flavanone]-A(1OH, 1(C-Prenyl))-B(none) | Flavanone | Ovaliflavanone B |
| 0.059 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(none) | 2'-Hydroxychalcone | Isocordoin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1(1,1-Dimethylallyl))-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-3'-(1,1-Dimethylallyl)chalcone |
| 0.000 | [beta-Hydroxy(or Oxodihydro)chalcone (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | beta-Hydroxy(or Oxodihydro)chalcone | O-Methylpongamol |
| 0.000 | [Flavanone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Flavanone | 3',4'-Methylenedioxy-[2'',3'':7,8]furanoflavanone |
| 0.000 | [Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(1OH) | Flavone | 3'-Hydroxy-6-methoxyfurano[2'',3'':7,8]flavone |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-Furano))-B(none) | Flavonol | 3-Hydroxy-6-methoxyfurano[2'',3'':7,8]flavone |
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy)) | Pterocarpan | Neodulin |
| Level: 3, プリカーサーm/z: 291.20752 |
| Splash: splash10-00di-0190000000-65cd5f78893470383da6 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 273.26 | 2752 | 18 | 1000 |
| 255.25 | 343 | 36 | 124 |
| 171.07 | 224 | 120 | 81 |
| 223.17 | 221 | 68 | 80 |
| 145.01 | 188 | 146 | 68 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.111 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | Mesquitol |
| 0.111 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | 2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol |
| 0.111 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | 3,5,7,3',5'-Pentahydroxyflavan |
| 0.111 | [Flavan 3-ol]-A(2OH)-B(2OH) | Flavan 3-ol | Catechin |
| 0.111 | [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 |