ピーク情報
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イネ 玄米 コシヒカリ
pos
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| Peak #5768 MN MID: SE199_S11_M90 |
| m/z: 338.26919, RT: 94.67, 強度: 43773, ログ強度: 1.21, アダクト: [M+ACN+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 | 0.738 | 10-hydroxyoctadeca-9Z,12Z-dienoic acid | LipidMAPS: LMFA02000355 |
| C18H32O3 | 296.23514 | 0.738 | [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one | KNApSAcK: C00022147 |
| C18H32O3 | 296.23514 | 0.738 | 6-oxo-4E-octadecenoic acid | LipidMAPS: LMFA01060232 |
| C18H32O3 | 296.23514 | 0.738 | 2-hydroxy-9Z,12Z-Octadecadienoic acid | LipidMAPS: LMFA02000057, LMFA02000290 |
| C18H32O3 | 296.23514 | 0.738 | 4-oxo-2E-octadecenoic acid | LipidMAPS: LMFA02000370 |
| C18H32O3 | 296.23514 | 0.738 | 9(S)-HODE | HMDB: HMDB0004670, HMDB0062652 KEGG: C14767 KNApSAcK: C00000430 LipidMAPS: LMFA02000036, LMFA02000151, LMFA02000152, LMFA02000187, LMFA02000188, LMFA02000318 |
| C18H32O3 | 296.23514 | 0.738 | 16-hydroxyoctadeca-9Z,12Z-dienoic acid | LipidMAPS: LMFA02000405 |
| C18H32O3 | 296.23514 | 0.738 | 15R-Hydroxylinoleic acid | HMDB: HMDB0029978 KNApSAcK: C00000445 LipidMAPS: LMFA02000054, LMFA02000316 |
| C18H32O3 | 296.23514 | 0.738 | 12-hydroxy-10-octadecynoic acid | LipidMAPS: LMFA02000219 |
| C18H32O3 | 296.23514 | 0.738 | 10R-hydroxy-8E,12Z-octadecadienoic acid | LipidMAPS: LMFA02000065, LMFA02000066 |
| C18H32O3 | 296.23514 | 0.738 | 8R-hydroxy-9Z-octadecen-5S-olide | LipidMAPS: LMFA07040140 |
| C18H32O3 | 296.23514 | 0.738 | 7-Methoxy-9-methyl-4E,8E-hexadecadienoic acid | LipidMAPS: LMFA01080011 |
| C18H32O3 | 296.23514 | 0.738 | (9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid | KEGG: C08318 KNApSAcK: C00000398 LipidMAPS: LMFA02000227, LMFA02000287 |
| C18H32O3 | 296.23514 | 0.738 | 12-oxo-10E-octadecenoic acid | LipidMAPS: LMFA02000265, LMFA02000266 |
| C18H32O3 | 296.23514 | 0.738 | 12-Hydroxy-8,10-octadecadienoic acid | HMDB: HMDB0029998 |
| C18H32O3 | 296.23514 | 0.738 | Moniliforminol A | KNApSAcK: C00039785, C00039786 |
| C18H32O3 | 296.23514 | 0.738 | 9-oxo-11Z-octadecenoic acid | LipidMAPS: LMFA02000325 |
| C18H32O3 | 296.23514 | 0.738 | 18-Oxooleate | HMDB: [-1]HMDB0304034 KEGG: C19617 |
| C18H32O3 | 296.23514 | 0.738 | 9-Hydroxyoctadeca-2,4-dienoic acid | HMDB: HMDB0247353 |
| C18H32O3 | 296.23514 | 0.738 | 12-hydroxy-9-octadecynoic acid | LipidMAPS: LMFA02000217, LMFA02000218 |
| C18H32O3 | 296.23514 | 0.738 | 17-hydroxyoctadeca-9Z,12Z-dienoic acid | LipidMAPS: LMFA02000399 |
| C18H32O3 | 296.23514 | 0.738 | (Z)-13-Oxo-9-octadecenoic acid | HMDB: HMDB0029796 LipidMAPS: LMFA01060201, LMFA02000311 |
| C18H32O3 | 296.23514 | 0.738 | 10-oxo-11E-octadecenoic acid | LipidMAPS: LMFA01060223 |
| C18H32O3 | 296.23514 | 0.738 | 5S-Hydroxyoctadeca-6E,8Z-dienoic acid | LipidMAPS: LMFA02000394 |
| C18H32O3 | 296.23514 | 0.738 | 7-oxo-11-Octadecenoic acid | LipidMAPS: LMFA01060214 |
| C18H32O3 | 296.23514 | 0.738 | 13(S)-HODE | HMDB: HMDB0004667, HMDB0242324 KEGG: C14762 KNApSAcK: C00000403 LipidMAPS: LMFA02000035, LMFA02000154, LMFA02000155, LMFA02000190, LMFA02000228 |
| C18H32O3 | 296.23514 | 0.738 | 11R-Hydroxy-9Z,12Z-octadecadienoic acid | KNApSAcK: C00000429 LipidMAPS: LMFA02000400, LMFA02000401 |
| C18H32O3 | 296.23514 | 0.738 | 15-Hydroxy-9Z,15Z-octadecadienoic acid | LipidMAPS: LMFA02000315 |
| C18H32O3 | 296.23514 | 0.738 | 10-oxo-12Z-octadecenoic acid | LipidMAPS: LMFA02000055 |
| C18H32O3 | 296.23514 | 0.738 | 18-hydroxyoctadeca-9Z,12Z-dienoic acid | KNApSAcK: C00007432 LipidMAPS: LMFA02000398 |
| C18H32O3 | 296.23514 | 0.738 | 13-Hydroxyoctadeca-9,12-dienoic acid | HMDB: HMDB0244510 LipidMAPS: LMFA02000356 |
| C18H32O3 | 296.23514 | 0.738 | 18-Hydroxyoctadecadienoic acid | HMDB: HMDB0244806 |
| C18H32O3 | 296.23514 | 0.738 | 12-hydroxy-9Z,15Z-octadecadienoic acid | LipidMAPS: LMFA02000153, LMFA02000189 |
| C18H32O3 | 296.23514 | 0.738 | Vernolic acid | HMDB: HMDB0004702, HMDB0247613 KEGG: C08368, C14826 KNApSAcK: C00001241 LipidMAPS: LMFA02000038, LMFA02000276, LMFA02000282 |
| C18H32O3 | 296.23514 | 0.738 | 9(10)-EpOME | HMDB: HMDB0004701, HMDB0247616 KEGG: C14825 KNApSAcK: C00055286 LipidMAPS: LMFA02000037, LMFA02000280, LMFA02000283 |
| C18H32O3 | 296.23514 | 0.738 | (1R,2R)-3-oxo-2-pentyl-cyclopentaneoctanoic acid | LipidMAPS: LMFA02010012, LMFA02010013 |
| C18H32O3 | 296.23514 | 0.738 | 12-oxo-9E-octadecenoic acid | LipidMAPS: LMFA02000267, LMFA02000268 |
| C18H32O3 | 296.23514 | 0.738 | Octadeca-9,12-dieneperoxoic acid | HMDB: HMDB0247622 |
| C18H32O3 | 296.23514 | 0.738 | 8-hydroxy-11Z,14Z-Octadecadienoic acid | LipidMAPS: LMFA02000308 |
| C18H32O3 | 296.23514 | 0.738 | hydroxyoctadecadienoic acid | HMDB: HMDB0253281 |
| C18H32O3 | 296.23514 | 0.738 | 13-Hydroxyoctadeca-2,4-dienoic acid | HMDB: HMDB0245746 |
| C18H32O3 | 296.23514 | 0.738 | 6-hydroxy-9Z,12Z-octadecadienoic acid | LipidMAPS: LMFA02000182 |
| C18H32O3 | 296.23514 | 0.738 | 9-oxo-12Z-Octadecenoic acid | LipidMAPS: LMFA02000291 |
| C18H32O3 | 296.23514 | 0.738 | 9-Hydroxylinoleic acid | HMDB: HMDB0247599 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 338.26904 |
| Splash: splash10-02i2-0892000000-4f96a2beb4f597e29d4c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 166.10 | 6077 | 172 | 1000 |
| 296.32 | 4401 | 42 | 724 |
| 320.27 | 3926 | 18 | 646 |
| 261.28 | 3760 | 77 | 618 |
| 279.27 | 3206 | 59 | 527 |
| 243.27 | 1714 | 95 | 282 |
| 154.13 | 1711 | 184 | 281 |
| 278.31 | 1699 | 60 | 279 |
| 196.09 | 1172 | 142 | 192 |
| 149.09 | 893 | 189 | 146 |
| 173.17 | 841 | 165 | 138 |
| 172.13 | 615 | 166 | 101 |
| 135.05 | 460 | 203 | 75 |
| 177.13 | 459 | 161 | 75 |
| 209.18 | 459 | 129 | 75 |
| 123.11 | 457 | 215 | 75 |
| 137.17 | 456 | 201 | 74 |
| 109.09 | 410 | 229 | 67 |
| 187.22 | 399 | 151 | 65 |
| 163.13 | 396 | 175 | 65 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Flavone]-A(2OH, 1(1-Methylpyrrolidin-2-yl))-B(none) | Flavone | Isoficine |
| 0.000 | [Flavone]-A(2OH, 1(1-Methylpyrrolidin-2-yl))-B(none) | Flavone | Ficine |
| Level: 3, プリカーサーm/z: 296.29932 |
| Splash: splash10-004i-0190000000-bdf61c4c6407933ece26 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 278.27 | 1450 | 18 | 1000 |
| 182.15 | 100 | 114 | 69 |
| 168.10 | 76 | 128 | 52 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 166.09129 |
| Splash: splash10-0597-9700000000-4dbc10a6a78723c43c60 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 93.05 | 300 | 73 | 1000 |
| 96.12 | 239 | 70 | 799 |
| 106.98 | 208 | 59 | 692 |
| 121.18 | 144 | 45 | 480 |
| 82.06 | 110 | 84 | 366 |
| 110.13 | 107 | 56 | 358 |
| 138.19 | 104 | 28 | 346 |
| 109.17 | 81 | 57 | 271 |
| 123.91 | 62 | 42 | 206 |
| 149.14 | 46 | 17 | 153 |
| 81.20 | 43 | 85 | 144 |
| 57.13 | 36 | 109 | 120 |
| 69.07 | 34 | 97 | 112 |
| 66.92 | 30 | 99 | 99 |
| 137.00 | 26 | 29 | 88 |
| 79.03 | 25 | 87 | 83 |
| 98.05 | 25 | 68 | 82 |
| 84.18 | 24 | 82 | 81 |
| 94.95 | 24 | 71 | 79 |
| 69.92 | 20 | 96 | 68 |
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 |
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