ピーク情報
|
イネ 玄米 コシヒカリ
pos
|
| Peak #5095 MN MID: SE199_S11_M90 |
| m/z: 357.30017, RT: 83.29, 強度: 3678, ログ強度: 0.14, アダクト: [M+IsoProp+H]+, 共有数（同様のピークを含むサンプル数）: 1 |
| DB検索結果: (42 names) 10-hydroxyoctadeca-9Z,12Z-dienoic acid;[R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one;6-oxo-4E-octadecenoic acid;2-hydroxy-9Z,12Z-Octadecadienoic acid;4-oxo-2E-octadecenoic acid;(... |
| DBごとのヒット数: ALL 41 KG 6 KN 5 HM 7 LM 23 |
| FlavonoidSearch最大スコア MS2: 0.125, 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 |
|---|---|---|---|---|
| C18H32O3 | 296.23514 | 0.782 | 10-hydroxyoctadeca-9Z,12Z-dienoic acid | LipidMAPS: LMFA02000355 |
| C18H32O3 | 296.23514 | 0.782 | [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one | KNApSAcK: C00022147 |
| C18H32O3 | 296.23514 | 0.782 | 6-oxo-4E-octadecenoic acid | LipidMAPS: LMFA01060232 |
| C18H32O3 | 296.23514 | 0.782 | 2-hydroxy-9Z,12Z-Octadecadienoic acid | LipidMAPS: LMFA02000057, LMFA02000290 |
| C18H32O3 | 296.23514 | 0.782 | 4-oxo-2E-octadecenoic acid | LipidMAPS: LMFA02000370 |
| C18H32O3 | 296.23514 | 0.782 | 9(S)-HODE | HMDB: HMDB0004670, HMDB0062652 KEGG: C14767 KNApSAcK: C00000430 LipidMAPS: LMFA02000036, LMFA02000151, LMFA02000152, LMFA02000187, LMFA02000188, LMFA02000318 |
| C18H32O3 | 296.23514 | 0.782 | 16-hydroxyoctadeca-9Z,12Z-dienoic acid | LipidMAPS: LMFA02000405 |
| C18H32O3 | 296.23514 | 0.782 | 15R-Hydroxylinoleic acid | HMDB: HMDB0029978 KNApSAcK: C00000445 LipidMAPS: LMFA02000054, LMFA02000316 |
| C18H32O3 | 296.23514 | 0.782 | 12-hydroxy-10-octadecynoic acid | LipidMAPS: LMFA02000219 |
| C18H32O3 | 296.23514 | 0.782 | 10R-hydroxy-8E,12Z-octadecadienoic acid | LipidMAPS: LMFA02000065, LMFA02000066 |
| C18H32O3 | 296.23514 | 0.782 | 8R-hydroxy-9Z-octadecen-5S-olide | LipidMAPS: LMFA07040140 |
| C18H32O3 | 296.23514 | 0.782 | 7-Methoxy-9-methyl-4E,8E-hexadecadienoic acid | LipidMAPS: LMFA01080011 |
| C18H32O3 | 296.23514 | 0.782 | (9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid | KEGG: C08318 KNApSAcK: C00000398 LipidMAPS: LMFA02000227, LMFA02000287 |
| C18H32O3 | 296.23514 | 0.782 | 12-oxo-10E-octadecenoic acid | LipidMAPS: LMFA02000265, LMFA02000266 |
| C18H32O3 | 296.23514 | 0.782 | 12-Hydroxy-8,10-octadecadienoic acid | HMDB: HMDB0029998 |
| C18H32O3 | 296.23514 | 0.782 | Moniliforminol A | KNApSAcK: C00039785, C00039786 |
| C18H32O3 | 296.23514 | 0.782 | 9-oxo-11Z-octadecenoic acid | LipidMAPS: LMFA02000325 |
| C18H32O3 | 296.23514 | 0.782 | 18-Oxooleate | HMDB: [-1]HMDB0304034 KEGG: C19617 |
| C18H32O3 | 296.23514 | 0.782 | 9-Hydroxyoctadeca-2,4-dienoic acid | HMDB: HMDB0247353 |
| C18H32O3 | 296.23514 | 0.782 | 12-hydroxy-9-octadecynoic acid | LipidMAPS: LMFA02000217, LMFA02000218 |
| C18H32O3 | 296.23514 | 0.782 | 17-hydroxyoctadeca-9Z,12Z-dienoic acid | LipidMAPS: LMFA02000399 |
| C18H32O3 | 296.23514 | 0.782 | (Z)-13-Oxo-9-octadecenoic acid | HMDB: HMDB0029796 LipidMAPS: LMFA01060201, LMFA02000311 |
| C18H32O3 | 296.23514 | 0.782 | 10-oxo-11E-octadecenoic acid | LipidMAPS: LMFA01060223 |
| C18H32O3 | 296.23514 | 0.782 | 5S-Hydroxyoctadeca-6E,8Z-dienoic acid | LipidMAPS: LMFA02000394 |
| C18H32O3 | 296.23514 | 0.782 | 7-oxo-11-Octadecenoic acid | LipidMAPS: LMFA01060214 |
| C18H32O3 | 296.23514 | 0.782 | 13(S)-HODE | HMDB: HMDB0004667, HMDB0242324 KEGG: C14762 KNApSAcK: C00000403 LipidMAPS: LMFA02000035, LMFA02000154, LMFA02000155, LMFA02000190, LMFA02000228 |
| C18H32O3 | 296.23514 | 0.782 | 11R-Hydroxy-9Z,12Z-octadecadienoic acid | KNApSAcK: C00000429 LipidMAPS: LMFA02000400, LMFA02000401 |
| C18H32O3 | 296.23514 | 0.782 | 15-Hydroxy-9Z,15Z-octadecadienoic acid | LipidMAPS: LMFA02000315 |
| C18H32O3 | 296.23514 | 0.782 | 10-oxo-12Z-octadecenoic acid | LipidMAPS: LMFA02000055 |
| C18H32O3 | 296.23514 | 0.782 | 18-hydroxyoctadeca-9Z,12Z-dienoic acid | KNApSAcK: C00007432 LipidMAPS: LMFA02000398 |
| C18H32O3 | 296.23514 | 0.782 | 13-Hydroxyoctadeca-9,12-dienoic acid | HMDB: HMDB0244510 LipidMAPS: LMFA02000356 |
| C18H32O3 | 296.23514 | 0.782 | 18-Hydroxyoctadecadienoic acid | HMDB: HMDB0244806 |
| C18H32O3 | 296.23514 | 0.782 | 12-hydroxy-9Z,15Z-octadecadienoic acid | LipidMAPS: LMFA02000153, LMFA02000189 |
| C18H32O3 | 296.23514 | 0.782 | Vernolic acid | HMDB: HMDB0004702, HMDB0247613 KEGG: C08368, C14826 KNApSAcK: C00001241 LipidMAPS: LMFA02000038, LMFA02000276, LMFA02000282 |
| C18H32O3 | 296.23514 | 0.782 | 9(10)-EpOME | HMDB: HMDB0004701, HMDB0247616 KEGG: C14825 KNApSAcK: C00055286 LipidMAPS: LMFA02000037, LMFA02000280, LMFA02000283 |
| C18H32O3 | 296.23514 | 0.782 | (1R,2R)-3-oxo-2-pentyl-cyclopentaneoctanoic acid | LipidMAPS: LMFA02010012, LMFA02010013 |
| C18H32O3 | 296.23514 | 0.782 | 12-oxo-9E-octadecenoic acid | LipidMAPS: LMFA02000267, LMFA02000268 |
| C18H32O3 | 296.23514 | 0.782 | Octadeca-9,12-dieneperoxoic acid | HMDB: HMDB0247622 |
| C18H32O3 | 296.23514 | 0.782 | 8-hydroxy-11Z,14Z-Octadecadienoic acid | LipidMAPS: LMFA02000308 |
| C18H32O3 | 296.23514 | 0.782 | hydroxyoctadecadienoic acid | HMDB: HMDB0253281 |
| C18H32O3 | 296.23514 | 0.782 | 13-Hydroxyoctadeca-2,4-dienoic acid | HMDB: HMDB0245746 |
| C18H32O3 | 296.23514 | 0.782 | 6-hydroxy-9Z,12Z-octadecadienoic acid | LipidMAPS: LMFA02000182 |
| C18H32O3 | 296.23514 | 0.782 | 9-oxo-12Z-Octadecenoic acid | LipidMAPS: LMFA02000291 |
| C18H32O3 | 296.23514 | 0.782 | 9-Hydroxylinoleic acid | HMDB: HMDB0247599 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 357.30008 |
| Splash: splash10-00kr-0097000000-03f0aaa101a1b13fdf6a |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 339.33 | 913 | 18 | 1000 |
| 265.29 | 599 | 92 | 655 |
| 283.07 | 292 | 74 | 319 |
| 247.27 | 203 | 110 | 222 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.125 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH) | Isoflavanone | Kievitone |
| 0.125 | [Isoflavanone]-A(2OH, 1(C-Prenyl))-B(2OH) | Isoflavanone | Diphysolone |
| 0.067 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH) | Dihydroflavonol | Shuterin |
| 0.067 | [Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH) | Dihydroflavonol | 8-prenylaromadendrin |
| 0.067 | [Dihydroflavonol]-A(2OH)-B(1OH, 1(C-Prenyl)) | Dihydroflavonol | 3'-prenylaromadendrin |
| 0.059 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavanone | 6-Prenyleriodictyol |
| 0.059 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavanone | 8-Prenyleriodictyol |
| 0.059 | [Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH) | Flavanone | Leachianone G |
| 0.059 | [Flavanone]-A(3OH)-B(1OH, 1(C-Prenyl)) | Flavanone | Flowerone |
| 0.059 | [Flavanone]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavanone | Sigmoidin B |
| 0.059 | [Flavanone]-A(2OH)-B(2OH, 1(C-Prenyl)) | Flavanone | 2'-Prenyleriodictyol |
| 0.059 | [Flavanone]-A(3OH, 1(C-Prenyl))-B(1OH) | Flavanone | 8-Prenylcarthamidin |
| 0.050 | [2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(3OH) | 2'-Hydroxychalcone | Ramosismin |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | 2'-Hydroxychalcone | Brosimacutin G |
| 0.000 | [Dihydrochalcone]-A(2OH, 1Methyl, 1([2,3:@@]-(4-hydroxy-6,6-Dimethyldihydropyrano)))-B(none) | Dihydrochalcone | 2',4',4''-Trihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']dihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1Methyl, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none) | Dihydrochalcone | 2',4',5''-Trihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']dihydrochalcone |
| 0.000 | [Dihydrochalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH) | Dihydrochalcone | alpha,beta-Dihydroxanthohumol |
| 0.000 | [Dihydrochalcone]-A(3OH, 1OMe, 1(C-Prenyl))-B(none) | Dihydrochalcone | 2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone |
| 0.000 | [Flavanone]-A(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(2OH) | Flavanone | 2',4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 1(3-hydroxy-3-methylbutyl))-B(none) | Flavanone | Tephrowatsin C |
| 0.000 | [Flavanone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH) | Flavanone | Tomentosanol D |
| 0.000 | [Flavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(1OH) | Flavanone | 5,7,4'-Trihydroxy-8-C-(3-hydroxymethyl-2-butenyl)flavanone |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH) | Flavanone | Phellodensin D |
| 0.000 | [Flavanone]-A(2OH, 1(1,1-Dimethylallyl))-B(2OH) | Flavanone | 6-(1,1-Dimethylallyl)eriodictyol |
| 0.000 | [Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(2OH) | Flavanone | Kenusanone J |
| 0.000 | [Flavone]-A(1OH, 1(2,3-Dihydroxy-3-methylbutyl))-B(1OH) | Flavone | Brosimacutin F |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH) | Flavone | Laurifolin (flavonoid) |
| 0.000 | [Flavone]-A(2OH, 1(2-Carboxyvinyl))-B(2OH) | Flavone | Demethyltorosaflavone D |
| 0.000 | [Flavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavone | 5,7,3'-Trimethoxy-4',5'-methylenedioxyflavone |
| 0.000 | [Flavone]-A(3OMe)-B(1([@@]-Methylenedioxy)) | Flavone | Ageconyflavone A |
| 0.000 | [Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH) | Dihydroflavonol | 3,5,4'-Trihydroxy-4'',5''-dihydro-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone |
| 0.000 | [Flavonol (3-OMe)]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Flavonol | Kanugin |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OMe) | Flavonol | Kalmiatin |
| 0.000 | [Flavonol (3-OMe)]-A(2OMe)-B(1([@@]-Methylenedioxy)) | Flavonol | Isokanugin |
| 0.000 | [Flavan 3-ol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavan 3-ol | 8-Prenylafzelechin 5-methyl ether |
| 0.000 | [Flavan 4-ol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH) | Flavan 4-ol | 4,5,4'-Trihydroxy-7-methoxy-8-prenylflavan |
| 0.000 | [Flavan]-A(2OMe, 1(3-hydroxy-3-methylbutyl))-B(none) | Flavan | Nitenin |
| 0.000 | [Isoflavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | 6,7,3'-Trimethoxy-4',5'-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | Milldurone |
| 0.000 | [Isoflavone]-A(2OMe)-B(1OMe, 1([@@]-Methylenedioxy)) | Isoflavone | 7,8,2'-Trimethoxy-4',5'-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(3OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Petalostetin |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(2OMe) | Isoflavone | 8,3',4'-Trimethoxy-6,7-methylenedioxyisoflavone |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(2OMe) | Isoflavone | Hemerocallone |
| 0.000 | [Isoflavone]-A(3OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Odoratine |
| 0.000 | [Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(2OMe) | Isoflavone | Iriskumaonin methyl ether |
| 0.000 | [Isoflavanone]-A(1OH, 1((Z)-4-hydroxyprenyl))-B(2OH) | Isoflavanone | 7,2',4'-Trihydroxy-8-((Z)-4-hydroxyprenyl)isoflavanone |
| 0.000 | [Isoflavan]-A(1OH)-B(2OH, 1OMe, 1(1,1-Dimethylallyl)) | Isoflavan | alpha,alpha-dimethylallylcyclolobin |
| 0.000 | [Coumestan]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy)) | Coumestan | 2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan |
| 0.000 | [6-Hydroxydehydrorotenone]-A(3OH)-B(none)-C(1(O-Acetyl)) | 6-Hydroxydehydrorotenone | 6,9,10,11-Tetrahydroxydehydrorotenone 6-O-acetate |
| 0.000 | [4-Hydroxy-3-phenylcoumarin (4-OMe)]-A(2OMe)-B(1([@@]-Methylenedioxy)) | 4-Hydroxy-3-phenylcoumarin | Derrusnin |