ピーク情報
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ごま いり（白ごま）
pos
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| Peak #6797 MN MID: SE113_S050181_M90 |
| m/z: 281.24741, RT: 78.24, 強度: 13589, ログ強度: 0.75, 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 | -0.318 | 9-hydroxy-10Z-octadecenoic acid | LipidMAPS: LMFA02000178, LMFA02000205, LMFA02000206 |
| C18H34O3 | 298.25079 | -0.318 | (6R,7S)-6,7-Epoxyoctadecanoic acid | KEGG: C13791 LipidMAPS: LMFA02000275 |
| C18H34O3 | 298.25079 | -0.318 | 14-oxo-octadecanoic acid | LipidMAPS: LMFA02000258 |
| C18H34O3 | 298.25079 | -0.318 | 10-hydroxy-8-octadecenoic acid | LipidMAPS: LMFA01031132, LMFA01031133, LMFA02000209, LMFA02000210 |
| C18H34O3 | 298.25079 | -0.318 | 10-hydroxy-12Z-octadecenoic acid | LipidMAPS: LMFA02000345, LMFA02000346 |
| C18H34O3 | 298.25079 | -0.318 | 11-Oxooctadecanoic acid | HMDB: HMDB0030981 LipidMAPS: LMFA02000255 |
| C18H34O3 | 298.25079 | -0.318 | 11-hydroxy-9-octadecenoic acid | LipidMAPS: LMFA02000211 |
| C18H34O3 | 298.25079 | -0.318 | 9,10-Epoxystearate | HMDB: HMDB0247617 KEGG: C19418 KNApSAcK: C00000391 LipidMAPS: LMFA02000001, LMFA02000002, LMFA02000326 |
| C18H34O3 | 298.25079 | -0.318 | 9-hydroxy-12-octadecenoic acid | LipidMAPS: LMFA02000149, LMFA02000179, LMFA02000207, LMFA02000208, LMFA02000292 |
| C18H34O3 | 298.25079 | -0.318 | 16-oxo-octadecanoic acid | LipidMAPS: LMFA02000260 |
| C18H34O3 | 298.25079 | -0.318 | alpha-Cycloheptaneundecanoic acid | KNApSAcK: C00000344 LipidMAPS: LMFA01140097 |
| C18H34O3 | 298.25079 | -0.318 | 8-hydroxy-9-octadecenoic acid | LipidMAPS: LMFA02000203, LMFA02000204 |
| C18H34O3 | 298.25079 | -0.318 | Methyl palmoxirate | HMDB: HMDB0254605 |
| C18H34O3 | 298.25079 | -0.318 | 10-hydroxy-11E-octadecenoic acid | LipidMAPS: LMFA01050560, LMFA02000083, LMFA02000084 |
| C18H34O3 | 298.25079 | -0.318 | 7-oxo-octadecanoic acid | LipidMAPS: LMFA02000244 |
| C18H34O3 | 298.25079 | -0.318 | 8-oxo-octadecanoic acid | LipidMAPS: LMFA02000263 |
| C18H34O3 | 298.25079 | -0.318 | 5-hydroxy-2-octadecenoic acid | LipidMAPS: LMFA02000202 |
| C18H34O3 | 298.25079 | -0.318 | 13-oxo-octadecanoic acid | LipidMAPS: LMFA02000257 |
| C18H34O3 | 298.25079 | -0.318 | 17-oxo-octadecanoic acid | LipidMAPS: LMFA02000261 |
| C18H34O3 | 298.25079 | -0.318 | 6-oxo-octadecanoic acid | LipidMAPS: LMFA02000243 |
| C18H34O3 | 298.25079 | -0.318 | 3-Oxooctadecanoic acid | HMDB: HMDB0010736 LipidMAPS: LMFA02000240 |
| C18H34O3 | 298.25079 | -0.318 | 4-oxo-octadecanoic acid | LipidMAPS: LMFA02000241 |
| C18H34O3 | 298.25079 | -0.318 | 3-hydroxy-11Z-octadecenoic acid | LipidMAPS: LMFA01050421 |
| C18H34O3 | 298.25079 | -0.318 | 9-Oxooctadecanoic acid | HMDB: HMDB0030979 LipidMAPS: LMFA02000245 |
| C18H34O3 | 298.25079 | -0.318 | 12R-hydroxy13Z-octadecenoic acid | LipidMAPS: LMFA02000085, LMFA02000086, LMFA02000091, LMFA02000092 |
| C18H34O3 | 298.25079 | -0.318 | 17-hydroxy-9Z-octadecenoic acid | LipidMAPS: LMFA02000180 |
| C18H34O3 | 298.25079 | -0.318 | 2-methyl-4-oxo-heptadecanoic acid | LipidMAPS: LMFA02000254 |
| C18H34O3 | 298.25079 | -0.318 | 5-Oxooctadecanoic acid | HMDB: HMDB0034074 LipidMAPS: LMFA02000242 |
| C18H34O3 | 298.25079 | -0.318 | 2-Oxooctadecanoic acid | KEGG: C00869 LipidMAPS: LMFA02000262 |
| C18H34O3 | 298.25079 | -0.318 | 16-methyl-10-oxo-heptadecanoic acid | LipidMAPS: LMFA02000253 |
| C18H34O3 | 298.25079 | -0.318 | 2-Hydroxy-9Z-hexadecenoic acid | LipidMAPS: LMFA01050540, LMFA02000056 |
| C18H34O3 | 298.25079 | -0.318 | 12-oxo-octadecanoic acid | LipidMAPS: LMFA02000256 |
| C18H34O3 | 298.25079 | -0.318 | 13S-hydroxy-9Z-octadecenoic acid | LipidMAPS: LMFA02000412 |
| C18H34O3 | 298.25079 | -0.318 | 12R-hydroxy10E-octadecenoic acid | LipidMAPS: LMFA02000089, LMFA02000090, LMFA02000177 |
| C18H34O3 | 298.25079 | -0.318 | 5-Hexyltetrahydro-2-furanoctanoic acid | HMDB: HMDB0031127 |
| C18H34O3 | 298.25079 | -0.318 | 10-Oxooctadecanoic acid | HMDB: HMDB0030980 LipidMAPS: LMFA02000246 |
| C18H34O3 | 298.25079 | -0.318 | 13-hydroperoxy-14E-octadecenoic acid | LipidMAPS: LMFA02000098 |
| C18H34O3 | 298.25079 | -0.318 | 9-hydroxy-11Z-Octadecenoic acid | LipidMAPS: LMFA02000309 |
| C18H34O3 | 298.25079 | -0.318 | 13R-hydroxy11E-octadecenoic acid | LipidMAPS: LMFA02000093, LMFA02000094 |
| C18H34O3 | 298.25079 | -0.318 | 18-Hydroxyoleate | HMDB: [-1]HMDB0304033 KEGG: C19616 KNApSAcK: C00007439 LipidMAPS: LMFA02000181 |
| C18H34O3 | 298.25079 | -0.318 | Ricinoleic acid | HMDB: HMDB0034297, HMDB0242322 KEGG: C08365 KNApSAcK: C00001237 LipidMAPS: LMFA02000150, LMFA02000184, LMFA02000212, LMFA02000213, LMFA02000214 |
| C18H34O3 | 298.25079 | -0.318 | 15-oxo-octadecanoic acid | LipidMAPS: LMFA02000259 |
| C18H34O3 | 298.25079 | -0.318 | 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: 281.24716 |
| Splash: splash10-03di-0290000000-09b68ee993ea21fe2fd5 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 263.20 | 8553 | 18 | 1000 |
| 245.31 | 1785 | 36 | 208 |
| 121.03 | 971 | 160 | 113 |
| 163.07 | 868 | 118 | 101 |
| 135.11 | 844 | 146 | 98 |
| 149.11 | 576 | 132 | 67 |
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: 263.19867 |
| Splash: splash10-006t-1920000000-7fc804784aa5822cd253 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 121.00 | 640 | 142 | 1000 |
| 245.22 | 591 | 18 | 924 |
| 134.97 | 382 | 128 | 596 |
| 148.99 | 239 | 114 | 372 |
| 163.16 | 214 | 100 | 335 |
| 94.86 | 88 | 168 | 136 |
| 108.90 | 82 | 154 | 127 |
| 161.07 | 80 | 102 | 125 |
| 92.97 | 62 | 170 | 97 |
| 137.11 | 57 | 126 | 88 |
| 194.94 | 53 | 68 | 83 |
| 177.21 | 45 | 86 | 71 |
| 123.17 | 45 | 140 | 70 |
| 91.02 | 44 | 172 | 68 |
| 149.59 | 40 | 114 | 62 |
| 203.15 | 37 | 60 | 58 |
| 80.90 | 37 | 182 | 57 |
| 189.11 | 36 | 74 | 56 |
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: 245.31445 |
| Splash: splash10-01p9-0900000000-f7ecfd11f63e9865568c |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 189.15 | 191 | 56 | 1000 |
| 161.14 | 124 | 84 | 646 |
| 121.01 | 106 | 124 | 553 |
| 175.06 | 69 | 70 | 360 |
| 149.11 | 62 | 96 | 322 |
| 163.14 | 61 | 82 | 317 |
| 135.01 | 61 | 110 | 317 |
| 133.14 | 49 | 112 | 255 |
| 137.13 | 40 | 108 | 210 |
| 305.33 | 29 | -60 | 149 |
| 93.07 | 24 | 152 | 126 |
| 217.00 | 20 | 28 | 102 |
| 107.00 | 17 | 138 | 91 |
| 125.09 | 16 | 120 | 81 |
| 119.14 | 16 | 126 | 81 |
| 108.81 | 15 | 137 | 77 |
| 176.79 | 11 | 69 | 56 |
FlavonoidSearch結果
ヒットなし