ピーク情報
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イネ 玄米 コシヒカリ
pos
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| Peak #4142 MN MID: SE199_S11_M90 |
| m/z: 297.24232, RT: 70.00, 強度: 8156, ログ強度: 0.48, 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: (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: -, 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 | -0.339 | 10-hydroxyoctadeca-9Z,12Z-dienoic acid | LipidMAPS: LMFA02000355 |
| C18H32O3 | 296.23514 | -0.339 | [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one | KNApSAcK: C00022147 |
| C18H32O3 | 296.23514 | -0.339 | 6-oxo-4E-octadecenoic acid | LipidMAPS: LMFA01060232 |
| C18H32O3 | 296.23514 | -0.339 | 2-hydroxy-9Z,12Z-Octadecadienoic acid | LipidMAPS: LMFA02000057, LMFA02000290 |
| C18H32O3 | 296.23514 | -0.339 | 4-oxo-2E-octadecenoic acid | LipidMAPS: LMFA02000370 |
| C18H32O3 | 296.23514 | -0.339 | 9(S)-HODE | HMDB: HMDB0004670, HMDB0062652 KEGG: C14767 KNApSAcK: C00000430 LipidMAPS: LMFA02000036, LMFA02000151, LMFA02000152, LMFA02000187, LMFA02000188, LMFA02000318 |
| C18H32O3 | 296.23514 | -0.339 | 16-hydroxyoctadeca-9Z,12Z-dienoic acid | LipidMAPS: LMFA02000405 |
| C18H32O3 | 296.23514 | -0.339 | 15R-Hydroxylinoleic acid | HMDB: HMDB0029978 KNApSAcK: C00000445 LipidMAPS: LMFA02000054, LMFA02000316 |
| C18H32O3 | 296.23514 | -0.339 | 12-hydroxy-10-octadecynoic acid | LipidMAPS: LMFA02000219 |
| C18H32O3 | 296.23514 | -0.339 | 10R-hydroxy-8E,12Z-octadecadienoic acid | LipidMAPS: LMFA02000065, LMFA02000066 |
| C18H32O3 | 296.23514 | -0.339 | 8R-hydroxy-9Z-octadecen-5S-olide | LipidMAPS: LMFA07040140 |
| C18H32O3 | 296.23514 | -0.339 | 7-Methoxy-9-methyl-4E,8E-hexadecadienoic acid | LipidMAPS: LMFA01080011 |
| C18H32O3 | 296.23514 | -0.339 | (9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid | KEGG: C08318 KNApSAcK: C00000398 LipidMAPS: LMFA02000227, LMFA02000287 |
| C18H32O3 | 296.23514 | -0.339 | 12-oxo-10E-octadecenoic acid | LipidMAPS: LMFA02000265, LMFA02000266 |
| C18H32O3 | 296.23514 | -0.339 | 12-Hydroxy-8,10-octadecadienoic acid | HMDB: HMDB0029998 |
| C18H32O3 | 296.23514 | -0.339 | Moniliforminol A | KNApSAcK: C00039785, C00039786 |
| C18H32O3 | 296.23514 | -0.339 | 9-oxo-11Z-octadecenoic acid | LipidMAPS: LMFA02000325 |
| C18H32O3 | 296.23514 | -0.339 | 18-Oxooleate | HMDB: [-1]HMDB0304034 KEGG: C19617 |
| C18H32O3 | 296.23514 | -0.339 | 9-Hydroxyoctadeca-2,4-dienoic acid | HMDB: HMDB0247353 |
| C18H32O3 | 296.23514 | -0.339 | 12-hydroxy-9-octadecynoic acid | LipidMAPS: LMFA02000217, LMFA02000218 |
| C18H32O3 | 296.23514 | -0.339 | 17-hydroxyoctadeca-9Z,12Z-dienoic acid | LipidMAPS: LMFA02000399 |
| C18H32O3 | 296.23514 | -0.339 | (Z)-13-Oxo-9-octadecenoic acid | HMDB: HMDB0029796 LipidMAPS: LMFA01060201, LMFA02000311 |
| C18H32O3 | 296.23514 | -0.339 | 10-oxo-11E-octadecenoic acid | LipidMAPS: LMFA01060223 |
| C18H32O3 | 296.23514 | -0.339 | 5S-Hydroxyoctadeca-6E,8Z-dienoic acid | LipidMAPS: LMFA02000394 |
| C18H32O3 | 296.23514 | -0.339 | 7-oxo-11-Octadecenoic acid | LipidMAPS: LMFA01060214 |
| C18H32O3 | 296.23514 | -0.339 | 13(S)-HODE | HMDB: HMDB0004667, HMDB0242324 KEGG: C14762 KNApSAcK: C00000403 LipidMAPS: LMFA02000035, LMFA02000154, LMFA02000155, LMFA02000190, LMFA02000228 |
| C18H32O3 | 296.23514 | -0.339 | 11R-Hydroxy-9Z,12Z-octadecadienoic acid | KNApSAcK: C00000429 LipidMAPS: LMFA02000400, LMFA02000401 |
| C18H32O3 | 296.23514 | -0.339 | 15-Hydroxy-9Z,15Z-octadecadienoic acid | LipidMAPS: LMFA02000315 |
| C18H32O3 | 296.23514 | -0.339 | 10-oxo-12Z-octadecenoic acid | LipidMAPS: LMFA02000055 |
| C18H32O3 | 296.23514 | -0.339 | 18-hydroxyoctadeca-9Z,12Z-dienoic acid | KNApSAcK: C00007432 LipidMAPS: LMFA02000398 |
| C18H32O3 | 296.23514 | -0.339 | 13-Hydroxyoctadeca-9,12-dienoic acid | HMDB: HMDB0244510 LipidMAPS: LMFA02000356 |
| C18H32O3 | 296.23514 | -0.339 | 18-Hydroxyoctadecadienoic acid | HMDB: HMDB0244806 |
| C18H32O3 | 296.23514 | -0.339 | 12-hydroxy-9Z,15Z-octadecadienoic acid | LipidMAPS: LMFA02000153, LMFA02000189 |
| C18H32O3 | 296.23514 | -0.339 | Vernolic acid | HMDB: HMDB0004702, HMDB0247613 KEGG: C08368, C14826 KNApSAcK: C00001241 LipidMAPS: LMFA02000038, LMFA02000276, LMFA02000282 |
| C18H32O3 | 296.23514 | -0.339 | 9(10)-EpOME | HMDB: HMDB0004701, HMDB0247616 KEGG: C14825 KNApSAcK: C00055286 LipidMAPS: LMFA02000037, LMFA02000280, LMFA02000283 |
| C18H32O3 | 296.23514 | -0.339 | (1R,2R)-3-oxo-2-pentyl-cyclopentaneoctanoic acid | LipidMAPS: LMFA02010012, LMFA02010013 |
| C18H32O3 | 296.23514 | -0.339 | 12-oxo-9E-octadecenoic acid | LipidMAPS: LMFA02000267, LMFA02000268 |
| C18H32O3 | 296.23514 | -0.339 | Octadeca-9,12-dieneperoxoic acid | HMDB: HMDB0247622 |
| C18H32O3 | 296.23514 | -0.339 | 8-hydroxy-11Z,14Z-Octadecadienoic acid | LipidMAPS: LMFA02000308 |
| C18H32O3 | 296.23514 | -0.339 | hydroxyoctadecadienoic acid | HMDB: HMDB0253281 |
| C18H32O3 | 296.23514 | -0.339 | 13-Hydroxyoctadeca-2,4-dienoic acid | HMDB: HMDB0245746 |
| C18H32O3 | 296.23514 | -0.339 | 6-hydroxy-9Z,12Z-octadecadienoic acid | LipidMAPS: LMFA02000182 |
| C18H32O3 | 296.23514 | -0.339 | 9-oxo-12Z-Octadecenoic acid | LipidMAPS: LMFA02000291 |
| C18H32O3 | 296.23514 | -0.339 | 9-Hydroxylinoleic acid | HMDB: HMDB0247599 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 297.24225 |
| Splash: splash10-004i-0090000000-619942b6aefbd65f4126 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 279.20 | 2223 | 18 | 1000 |
| 261.20 | 353 | 36 | 158 |
| 243.23 | 122 | 54 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Coumestan]-A(1OMe)-B(1OMe) | Coumestan | Coumestrol dimethyl ether |
| 0.000 | [Flavone]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Flavone | Milleyanaflavone |
| 0.000 | [Flavone]-A(2OMe, 1Methyl)-B(none) | Flavone | 5,7-Dimethoxy-6-C-methylflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(none) | Flavone | Desmosflavone |
| 0.000 | [Flavone]-A(2OH, 1Formyl, 1Methyl)-B(none) | Flavone | Unonal |
| 0.000 | [Flavone]-A(2OH, 1Formyl, 1Methyl)-B(none) | Flavone | Isounonal |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(none) | Flavone | 5-Methoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(none) | Flavone | 5-Methoxy-7,8-methylenedioxyflavone |
| 0.000 | [UBR-type derivative / 7-Oxocyclohexa-4a,5-dienyl-type Flavone]-A(1OH, 3Methyl)-B(none) | UBR-type derivative / 7-Oxocyclohexa-4a,5-dienyl-type Flavone | Dasytrichone |
| 0.000 | [Isoflavone]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Pseudobaptigenin methyl ether |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(1OMe) | Isoflavone | Maximaisoflavone H |
| 0.000 | [Pterocarpene]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpene | Anhydropisatin |
| 0.000 | [Coumestan]-A(1OH)-B(1([@@]-Methylenedioxy)) | Coumestan | Medicagol |
| Level: 3, プリカーサーm/z: 279.20367 |
| Splash: splash10-03di-0970000000-6f9d1ad5ccc14d6825f8 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 261.19 | 361 | 18 | 1000 |
| 121.10 | 87 | 158 | 240 |
| 243.30 | 64 | 36 | 178 |
| 161.13 | 53 | 118 | 148 |
| 147.14 | 49 | 132 | 134 |
| 135.12 | 46 | 144 | 128 |
| 165.11 | 39 | 114 | 108 |
| 109.03 | 38 | 170 | 106 |
| 223.18 | 38 | 56 | 105 |
| 179.15 | 35 | 100 | 97 |
| 183.17 | 35 | 96 | 95 |
| 133.00 | 31 | 146 | 85 |
| 123.05 | 30 | 156 | 82 |
| 195.14 | 29 | 84 | 79 |
| 221.03 | 27 | 58 | 76 |
| 163.09 | 27 | 116 | 75 |
| 107.10 | 22 | 172 | 61 |
| 137.05 | 22 | 142 | 60 |
| 177.21 | 21 | 102 | 58 |
| 151.24 | 21 | 128 | 57 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Aurone]-A(1OH, 1([2,3:@@]-Furano))-B(none) | Aurone | 4-Hydroxyfurano[2'',3'':6,7]aurone |
| 0.000 | [Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Chalcone | Ovalitenin A |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(1OH) | Flavone | 3'-Hydroxy-[2'',3'':7,8]furanoflavone |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-Furano))-B(none) | Flavone | 6-Hydroxyfurano[2'',3'':7,8]flavone |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-Furano))-B(none) | Flavone | Pongaglabol |
| 0.000 | [Pterocarpene]-A(1([2,3:@@]-Furano))-B(1OH) | Pterocarpene | Neorauteen |