ピーク情報
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イネ 玄米 ニッポンバレ
pos
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| Peak #5630 MN MID: SE199_S21_M90 |
| m/z: 281.24754, RT: 90.76, 強度: 10433, ログ強度: 0.62, アダクト: [M-H2O+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 | 0.115 | 9-hydroxy-10Z-octadecenoic acid | LipidMAPS: LMFA02000178, LMFA02000205, LMFA02000206 |
| C18H34O3 | 298.25079 | 0.115 | (6R,7S)-6,7-Epoxyoctadecanoic acid | KEGG: C13791 LipidMAPS: LMFA02000275 |
| C18H34O3 | 298.25079 | 0.115 | 14-oxo-octadecanoic acid | LipidMAPS: LMFA02000258 |
| C18H34O3 | 298.25079 | 0.115 | 10-hydroxy-8-octadecenoic acid | LipidMAPS: LMFA01031132, LMFA01031133, LMFA02000209, LMFA02000210 |
| C18H34O3 | 298.25079 | 0.115 | 10-hydroxy-12Z-octadecenoic acid | LipidMAPS: LMFA02000345, LMFA02000346 |
| C18H34O3 | 298.25079 | 0.115 | 11-Oxooctadecanoic acid | HMDB: HMDB0030981 LipidMAPS: LMFA02000255 |
| C18H34O3 | 298.25079 | 0.115 | 11-hydroxy-9-octadecenoic acid | LipidMAPS: LMFA02000211 |
| C18H34O3 | 298.25079 | 0.115 | 9,10-Epoxystearate | HMDB: HMDB0247617 KEGG: C19418 KNApSAcK: C00000391 LipidMAPS: LMFA02000001, LMFA02000002, LMFA02000326 |
| C18H34O3 | 298.25079 | 0.115 | 9-hydroxy-12-octadecenoic acid | LipidMAPS: LMFA02000149, LMFA02000179, LMFA02000207, LMFA02000208, LMFA02000292 |
| C18H34O3 | 298.25079 | 0.115 | 16-oxo-octadecanoic acid | LipidMAPS: LMFA02000260 |
| C18H34O3 | 298.25079 | 0.115 | alpha-Cycloheptaneundecanoic acid | KNApSAcK: C00000344 LipidMAPS: LMFA01140097 |
| C18H34O3 | 298.25079 | 0.115 | 8-hydroxy-9-octadecenoic acid | LipidMAPS: LMFA02000203, LMFA02000204 |
| C18H34O3 | 298.25079 | 0.115 | Methyl palmoxirate | HMDB: HMDB0254605 |
| C18H34O3 | 298.25079 | 0.115 | 10-hydroxy-11E-octadecenoic acid | LipidMAPS: LMFA01050560, LMFA02000083, LMFA02000084 |
| C18H34O3 | 298.25079 | 0.115 | 7-oxo-octadecanoic acid | LipidMAPS: LMFA02000244 |
| C18H34O3 | 298.25079 | 0.115 | 8-oxo-octadecanoic acid | LipidMAPS: LMFA02000263 |
| C18H34O3 | 298.25079 | 0.115 | 5-hydroxy-2-octadecenoic acid | LipidMAPS: LMFA02000202 |
| C18H34O3 | 298.25079 | 0.115 | 13-oxo-octadecanoic acid | LipidMAPS: LMFA02000257 |
| C18H34O3 | 298.25079 | 0.115 | 17-oxo-octadecanoic acid | LipidMAPS: LMFA02000261 |
| C18H34O3 | 298.25079 | 0.115 | 6-oxo-octadecanoic acid | LipidMAPS: LMFA02000243 |
| C18H34O3 | 298.25079 | 0.115 | 3-Oxooctadecanoic acid | HMDB: HMDB0010736 LipidMAPS: LMFA02000240 |
| C18H34O3 | 298.25079 | 0.115 | 4-oxo-octadecanoic acid | LipidMAPS: LMFA02000241 |
| C18H34O3 | 298.25079 | 0.115 | 3-hydroxy-11Z-octadecenoic acid | LipidMAPS: LMFA01050421 |
| C18H34O3 | 298.25079 | 0.115 | 9-Oxooctadecanoic acid | HMDB: HMDB0030979 LipidMAPS: LMFA02000245 |
| C18H34O3 | 298.25079 | 0.115 | 12R-hydroxy13Z-octadecenoic acid | LipidMAPS: LMFA02000085, LMFA02000086, LMFA02000091, LMFA02000092 |
| C18H34O3 | 298.25079 | 0.115 | 17-hydroxy-9Z-octadecenoic acid | LipidMAPS: LMFA02000180 |
| C18H34O3 | 298.25079 | 0.115 | 2-methyl-4-oxo-heptadecanoic acid | LipidMAPS: LMFA02000254 |
| C18H34O3 | 298.25079 | 0.115 | 5-Oxooctadecanoic acid | HMDB: HMDB0034074 LipidMAPS: LMFA02000242 |
| C18H34O3 | 298.25079 | 0.115 | 2-Oxooctadecanoic acid | KEGG: C00869 LipidMAPS: LMFA02000262 |
| C18H34O3 | 298.25079 | 0.115 | 16-methyl-10-oxo-heptadecanoic acid | LipidMAPS: LMFA02000253 |
| C18H34O3 | 298.25079 | 0.115 | 2-Hydroxy-9Z-hexadecenoic acid | LipidMAPS: LMFA01050540, LMFA02000056 |
| C18H34O3 | 298.25079 | 0.115 | 12-oxo-octadecanoic acid | LipidMAPS: LMFA02000256 |
| C18H34O3 | 298.25079 | 0.115 | 13S-hydroxy-9Z-octadecenoic acid | LipidMAPS: LMFA02000412 |
| C18H34O3 | 298.25079 | 0.115 | 12R-hydroxy10E-octadecenoic acid | LipidMAPS: LMFA02000089, LMFA02000090, LMFA02000177 |
| C18H34O3 | 298.25079 | 0.115 | 5-Hexyltetrahydro-2-furanoctanoic acid | HMDB: HMDB0031127 |
| C18H34O3 | 298.25079 | 0.115 | 10-Oxooctadecanoic acid | HMDB: HMDB0030980 LipidMAPS: LMFA02000246 |
| C18H34O3 | 298.25079 | 0.115 | 13-hydroperoxy-14E-octadecenoic acid | LipidMAPS: LMFA02000098 |
| C18H34O3 | 298.25079 | 0.115 | 9-hydroxy-11Z-Octadecenoic acid | LipidMAPS: LMFA02000309 |
| C18H34O3 | 298.25079 | 0.115 | 13R-hydroxy11E-octadecenoic acid | LipidMAPS: LMFA02000093, LMFA02000094 |
| C18H34O3 | 298.25079 | 0.115 | 18-Hydroxyoleate | HMDB: [-1]HMDB0304033 KEGG: C19616 KNApSAcK: C00007439 LipidMAPS: LMFA02000181 |
| C18H34O3 | 298.25079 | 0.115 | Ricinoleic acid | HMDB: HMDB0034297, HMDB0242322 KEGG: C08365 KNApSAcK: C00001237 LipidMAPS: LMFA02000150, LMFA02000184, LMFA02000212, LMFA02000213, LMFA02000214 |
| C18H34O3 | 298.25079 | 0.115 | 15-oxo-octadecanoic acid | LipidMAPS: LMFA02000259 |
| C18H34O3 | 298.25079 | 0.115 | 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: 281.24747 |
| Splash: splash10-03di-0290000000-968f7df588ee3c4f622c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 263.19 | 6550 | 18 | 1000 |
| 245.24 | 3078 | 36 | 469 |
| 179.11 | 571 | 102 | 87 |
| 149.17 | 509 | 132 | 77 |
| 165.15 | 438 | 116 | 66 |
| 193.18 | 416 | 88 | 63 |
| 121.11 | 358 | 160 | 54 |
| 163.12 | 350 | 118 | 53 |
| 207.18 | 338 | 74 | 51 |
| 221.27 | 329 | 60 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OH) | Pterocarpan | Neodunol |
| Level: 3, プリカーサーm/z: 263.20825 |
| Splash: splash10-0002-0590000000-64854fe971da6124fc4c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 245.20 | 1933 | 18 | 1000 |
| 149.11 | 224 | 114 | 116 |
| 135.15 | 193 | 128 | 99 |
| 175.17 | 153 | 88 | 79 |
| 121.06 | 145 | 142 | 74 |
| 189.20 | 136 | 74 | 70 |
| 123.10 | 132 | 140 | 68 |
| 163.19 | 107 | 100 | 55 |
| 161.11 | 99 | 102 | 51 |
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 |
| Level: 3, プリカーサーm/z: 245.21094 |
| Splash: splash10-01rj-0900000000-6157ce2d39735141ebdd |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 189.25 | 101 | 56 | 1000 |
| 161.06 | 101 | 84 | 994 |
| 175.17 | 91 | 70 | 892 |
| 147.09 | 73 | 98 | 721 |
| 133.12 | 54 | 112 | 528 |
| 121.06 | 41 | 124 | 404 |
| 135.16 | 34 | 110 | 333 |
| 203.13 | 34 | 42 | 333 |
| 149.25 | 32 | 96 | 319 |
| 163.23 | 30 | 82 | 293 |
| 119.12 | 26 | 126 | 252 |
| 109.21 | 20 | 136 | 198 |
| 217.16 | 17 | 28 | 167 |
| 107.16 | 16 | 138 | 156 |
| 123.14 | 15 | 122 | 148 |
| 105.12 | 15 | 140 | 144 |
| 95.14 | 13 | 150 | 132 |
| 177.20 | 9 | 68 | 85 |
| 151.10 | 8 | 94 | 77 |
| 78.98 | 6 | 166 | 57 |
FlavonoidSearch結果
ヒットなし