ピーク情報
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イネ 玄米 コシヒカリ
pos
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| Peak #5868 MN MID: SE199_S11_M90 |
| m/z: 340.28494, RT: 98.97, 強度: 30100, ログ強度: 1.05, 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) 9-hydroxy-10Z-octadecenoic acid;6R,7S-epoxy-octadecanoic acid;14-oxo-octadecanoic acid;10-hydroxy-8-octadecenoic acid;10-hydroxy-12Z-octadecenoic acid;11-hydroxy-9-octadecenoic acid;11-Oxooctadecanoic... |
| DBごとのヒット数: ALL 42 KG 5 KN 1 HM 2 LM 34 |
| 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 |
|---|---|---|---|---|
| C18H34O3 | 298.25079 | 1.080 | 9-hydroxy-10Z-octadecenoic acid | LipidMAPS: LMFA02000178, LMFA02000205, LMFA02000206 |
| C18H34O3 | 298.25079 | 1.080 | (6R,7S)-6,7-Epoxyoctadecanoic acid | KEGG: C13791 LipidMAPS: LMFA02000275 |
| C18H34O3 | 298.25079 | 1.080 | 14-oxo-octadecanoic acid | LipidMAPS: LMFA02000258 |
| C18H34O3 | 298.25079 | 1.080 | 10-hydroxy-8-octadecenoic acid | LipidMAPS: LMFA01031132, LMFA01031133, LMFA02000209, LMFA02000210 |
| C18H34O3 | 298.25079 | 1.080 | 10-hydroxy-12Z-octadecenoic acid | LipidMAPS: LMFA02000345, LMFA02000346 |
| C18H34O3 | 298.25079 | 1.080 | 11-Oxooctadecanoic acid | HMDB: HMDB0030981 LipidMAPS: LMFA02000255 |
| C18H34O3 | 298.25079 | 1.080 | 11-hydroxy-9-octadecenoic acid | LipidMAPS: LMFA02000211 |
| C18H34O3 | 298.25079 | 1.080 | 9,10-Epoxystearate | HMDB: HMDB0247617 KEGG: C19418 KNApSAcK: C00000391 LipidMAPS: LMFA02000001, LMFA02000002, LMFA02000326 |
| C18H34O3 | 298.25079 | 1.080 | 9-hydroxy-12-octadecenoic acid | LipidMAPS: LMFA02000149, LMFA02000179, LMFA02000207, LMFA02000208, LMFA02000292 |
| C18H34O3 | 298.25079 | 1.080 | 16-oxo-octadecanoic acid | LipidMAPS: LMFA02000260 |
| C18H34O3 | 298.25079 | 1.080 | alpha-Cycloheptaneundecanoic acid | KNApSAcK: C00000344 LipidMAPS: LMFA01140097 |
| C18H34O3 | 298.25079 | 1.080 | 8-hydroxy-9-octadecenoic acid | LipidMAPS: LMFA02000203, LMFA02000204 |
| C18H34O3 | 298.25079 | 1.080 | Methyl palmoxirate | HMDB: HMDB0254605 |
| C18H34O3 | 298.25079 | 1.080 | 10-hydroxy-11E-octadecenoic acid | LipidMAPS: LMFA01050560, LMFA02000083, LMFA02000084 |
| C18H34O3 | 298.25079 | 1.080 | 7-oxo-octadecanoic acid | LipidMAPS: LMFA02000244 |
| C18H34O3 | 298.25079 | 1.080 | 8-oxo-octadecanoic acid | LipidMAPS: LMFA02000263 |
| C18H34O3 | 298.25079 | 1.080 | 5-hydroxy-2-octadecenoic acid | LipidMAPS: LMFA02000202 |
| C18H34O3 | 298.25079 | 1.080 | 13-oxo-octadecanoic acid | LipidMAPS: LMFA02000257 |
| C18H34O3 | 298.25079 | 1.080 | 17-oxo-octadecanoic acid | LipidMAPS: LMFA02000261 |
| C18H34O3 | 298.25079 | 1.080 | 6-oxo-octadecanoic acid | LipidMAPS: LMFA02000243 |
| C18H34O3 | 298.25079 | 1.080 | 3-Oxooctadecanoic acid | HMDB: HMDB0010736 LipidMAPS: LMFA02000240 |
| C18H34O3 | 298.25079 | 1.080 | 4-oxo-octadecanoic acid | LipidMAPS: LMFA02000241 |
| C18H34O3 | 298.25079 | 1.080 | 3-hydroxy-11Z-octadecenoic acid | LipidMAPS: LMFA01050421 |
| C18H34O3 | 298.25079 | 1.080 | 9-Oxooctadecanoic acid | HMDB: HMDB0030979 LipidMAPS: LMFA02000245 |
| C18H34O3 | 298.25079 | 1.080 | 12R-hydroxy13Z-octadecenoic acid | LipidMAPS: LMFA02000085, LMFA02000086, LMFA02000091, LMFA02000092 |
| C18H34O3 | 298.25079 | 1.080 | 17-hydroxy-9Z-octadecenoic acid | LipidMAPS: LMFA02000180 |
| C18H34O3 | 298.25079 | 1.080 | 2-methyl-4-oxo-heptadecanoic acid | LipidMAPS: LMFA02000254 |
| C18H34O3 | 298.25079 | 1.080 | 5-Oxooctadecanoic acid | HMDB: HMDB0034074 LipidMAPS: LMFA02000242 |
| C18H34O3 | 298.25079 | 1.080 | 2-Oxooctadecanoic acid | KEGG: C00869 LipidMAPS: LMFA02000262 |
| C18H34O3 | 298.25079 | 1.080 | 16-methyl-10-oxo-heptadecanoic acid | LipidMAPS: LMFA02000253 |
| C18H34O3 | 298.25079 | 1.080 | 2-Hydroxy-9Z-hexadecenoic acid | LipidMAPS: LMFA01050540, LMFA02000056 |
| C18H34O3 | 298.25079 | 1.080 | 12-oxo-octadecanoic acid | LipidMAPS: LMFA02000256 |
| C18H34O3 | 298.25079 | 1.080 | 13S-hydroxy-9Z-octadecenoic acid | LipidMAPS: LMFA02000412 |
| C18H34O3 | 298.25079 | 1.080 | 12R-hydroxy10E-octadecenoic acid | LipidMAPS: LMFA02000089, LMFA02000090, LMFA02000177 |
| C18H34O3 | 298.25079 | 1.080 | 5-Hexyltetrahydro-2-furanoctanoic acid | HMDB: HMDB0031127 |
| C18H34O3 | 298.25079 | 1.080 | 10-Oxooctadecanoic acid | HMDB: HMDB0030980 LipidMAPS: LMFA02000246 |
| C18H34O3 | 298.25079 | 1.080 | 13-hydroperoxy-14E-octadecenoic acid | LipidMAPS: LMFA02000098 |
| C18H34O3 | 298.25079 | 1.080 | 9-hydroxy-11Z-Octadecenoic acid | LipidMAPS: LMFA02000309 |
| C18H34O3 | 298.25079 | 1.080 | 13R-hydroxy11E-octadecenoic acid | LipidMAPS: LMFA02000093, LMFA02000094 |
| C18H34O3 | 298.25079 | 1.080 | 18-Hydroxyoleate | HMDB: [-1]HMDB0304033 KEGG: C19616 KNApSAcK: C00007439 LipidMAPS: LMFA02000181 |
| C18H34O3 | 298.25079 | 1.080 | Ricinoleic acid | HMDB: HMDB0034297, HMDB0242322 KEGG: C08365 KNApSAcK: C00001237 LipidMAPS: LMFA02000150, LMFA02000184, LMFA02000212, LMFA02000213, LMFA02000214 |
| C18H34O3 | 298.25079 | 1.080 | 15-oxo-octadecanoic acid | LipidMAPS: LMFA02000259 |
| C18H34O3 | 298.25079 | 1.080 | 11R-hydroxy12Z-octadecenoic acid | LipidMAPS: LMFA02000087, LMFA02000088, LMFA02000095, LMFA02000096, LMFA02000372 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 340.28445 |
| Splash: splash10-01vk-0392000000-7b3ab5283cc3c37fb8dd |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 263.17 | 5322 | 77 | 1000 |
| 322.34 | 4028 | 18 | 756 |
| 298.31 | 3642 | 42 | 684 |
| 245.30 | 3008 | 95 | 565 |
| 280.36 | 2393 | 60 | 449 |
| 161.05 | 645 | 179 | 121 |
| 175.18 | 565 | 165 | 106 |
| 189.17 | 513 | 151 | 96 |
| 147.02 | 513 | 193 | 96 |
| 149.14 | 484 | 191 | 90 |
| 142.19 | 473 | 198 | 88 |
| 154.12 | 471 | 186 | 88 |
| 304.33 | 456 | 36 | 85 |
| 163.08 | 417 | 177 | 78 |
| 133.02 | 403 | 207 | 75 |
| 165.25 | 391 | 175 | 73 |
| 121.08 | 378 | 219 | 70 |
| 179.14 | 372 | 161 | 69 |
| 135.13 | 313 | 205 | 58 |
| 151.02 | 294 | 189 | 55 |
FlavonoidSearch結果
ヒットなし
| Level: 3, プリカーサーm/z: 263.16986 |
| Splash: splash10-0002-1970000000-33bad8c9f27370572bee |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 245.33 | 1063 | 18 | 1000 |
| 151.17 | 156 | 112 | 146 |
| 161.19 | 147 | 102 | 138 |
| 135.19 | 145 | 128 | 136 |
| 163.04 | 118 | 100 | 111 |
| 95.09 | 108 | 168 | 101 |
| 133.14 | 86 | 130 | 81 |
| 149.11 | 85 | 114 | 79 |
| 81.13 | 77 | 182 | 72 |
| 137.22 | 75 | 126 | 70 |
| 109.06 | 75 | 154 | 70 |
| 118.95 | 74 | 144 | 69 |
| 120.99 | 71 | 142 | 67 |
| 175.29 | 66 | 88 | 62 |
| 123.04 | 60 | 140 | 55 |
| 147.10 | 58 | 116 | 54 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Aurone]-A(1([2,3:@@]-Furano))-B(none) | Aurone | Furano[2'',3'':6,7]aurone |
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 |
|---|