ピーク情報
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ごま いり（白ごま）
pos
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| Peak #6799 MN MID: SE113_S050181_M90 |
| m/z: 299.25785, RT: 78.24, 強度: 274442, ログ強度: 2.06, 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) 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: 0.056, 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 | -0.733 | 9-hydroxy-10Z-octadecenoic acid | LipidMAPS: LMFA02000178, LMFA02000205, LMFA02000206 |
| C18H34O3 | 298.25079 | -0.733 | (6R,7S)-6,7-Epoxyoctadecanoic acid | KEGG: C13791 LipidMAPS: LMFA02000275 |
| C18H34O3 | 298.25079 | -0.733 | 14-oxo-octadecanoic acid | LipidMAPS: LMFA02000258 |
| C18H34O3 | 298.25079 | -0.733 | 10-hydroxy-8-octadecenoic acid | LipidMAPS: LMFA01031132, LMFA01031133, LMFA02000209, LMFA02000210 |
| C18H34O3 | 298.25079 | -0.733 | 10-hydroxy-12Z-octadecenoic acid | LipidMAPS: LMFA02000345, LMFA02000346 |
| C18H34O3 | 298.25079 | -0.733 | 11-Oxooctadecanoic acid | HMDB: HMDB0030981 LipidMAPS: LMFA02000255 |
| C18H34O3 | 298.25079 | -0.733 | 11-hydroxy-9-octadecenoic acid | LipidMAPS: LMFA02000211 |
| C18H34O3 | 298.25079 | -0.733 | 9,10-Epoxystearate | HMDB: HMDB0247617 KEGG: C19418 KNApSAcK: C00000391 LipidMAPS: LMFA02000001, LMFA02000002, LMFA02000326 |
| C18H34O3 | 298.25079 | -0.733 | 9-hydroxy-12-octadecenoic acid | LipidMAPS: LMFA02000149, LMFA02000179, LMFA02000207, LMFA02000208, LMFA02000292 |
| C18H34O3 | 298.25079 | -0.733 | 16-oxo-octadecanoic acid | LipidMAPS: LMFA02000260 |
| C18H34O3 | 298.25079 | -0.733 | alpha-Cycloheptaneundecanoic acid | KNApSAcK: C00000344 LipidMAPS: LMFA01140097 |
| C18H34O3 | 298.25079 | -0.733 | 8-hydroxy-9-octadecenoic acid | LipidMAPS: LMFA02000203, LMFA02000204 |
| C18H34O3 | 298.25079 | -0.733 | Methyl palmoxirate | HMDB: HMDB0254605 |
| C18H34O3 | 298.25079 | -0.733 | 10-hydroxy-11E-octadecenoic acid | LipidMAPS: LMFA01050560, LMFA02000083, LMFA02000084 |
| C18H34O3 | 298.25079 | -0.733 | 7-oxo-octadecanoic acid | LipidMAPS: LMFA02000244 |
| C18H34O3 | 298.25079 | -0.733 | 8-oxo-octadecanoic acid | LipidMAPS: LMFA02000263 |
| C18H34O3 | 298.25079 | -0.733 | 5-hydroxy-2-octadecenoic acid | LipidMAPS: LMFA02000202 |
| C18H34O3 | 298.25079 | -0.733 | 13-oxo-octadecanoic acid | LipidMAPS: LMFA02000257 |
| C18H34O3 | 298.25079 | -0.733 | 17-oxo-octadecanoic acid | LipidMAPS: LMFA02000261 |
| C18H34O3 | 298.25079 | -0.733 | 6-oxo-octadecanoic acid | LipidMAPS: LMFA02000243 |
| C18H34O3 | 298.25079 | -0.733 | 3-Oxooctadecanoic acid | HMDB: HMDB0010736 LipidMAPS: LMFA02000240 |
| C18H34O3 | 298.25079 | -0.733 | 4-oxo-octadecanoic acid | LipidMAPS: LMFA02000241 |
| C18H34O3 | 298.25079 | -0.733 | 3-hydroxy-11Z-octadecenoic acid | LipidMAPS: LMFA01050421 |
| C18H34O3 | 298.25079 | -0.733 | 9-Oxooctadecanoic acid | HMDB: HMDB0030979 LipidMAPS: LMFA02000245 |
| C18H34O3 | 298.25079 | -0.733 | 12R-hydroxy13Z-octadecenoic acid | LipidMAPS: LMFA02000085, LMFA02000086, LMFA02000091, LMFA02000092 |
| C18H34O3 | 298.25079 | -0.733 | 17-hydroxy-9Z-octadecenoic acid | LipidMAPS: LMFA02000180 |
| C18H34O3 | 298.25079 | -0.733 | 2-methyl-4-oxo-heptadecanoic acid | LipidMAPS: LMFA02000254 |
| C18H34O3 | 298.25079 | -0.733 | 5-Oxooctadecanoic acid | HMDB: HMDB0034074 LipidMAPS: LMFA02000242 |
| C18H34O3 | 298.25079 | -0.733 | 2-Oxooctadecanoic acid | KEGG: C00869 LipidMAPS: LMFA02000262 |
| C18H34O3 | 298.25079 | -0.733 | 16-methyl-10-oxo-heptadecanoic acid | LipidMAPS: LMFA02000253 |
| C18H34O3 | 298.25079 | -0.733 | 2-Hydroxy-9Z-hexadecenoic acid | LipidMAPS: LMFA01050540, LMFA02000056 |
| C18H34O3 | 298.25079 | -0.733 | 12-oxo-octadecanoic acid | LipidMAPS: LMFA02000256 |
| C18H34O3 | 298.25079 | -0.733 | 13S-hydroxy-9Z-octadecenoic acid | LipidMAPS: LMFA02000412 |
| C18H34O3 | 298.25079 | -0.733 | 12R-hydroxy10E-octadecenoic acid | LipidMAPS: LMFA02000089, LMFA02000090, LMFA02000177 |
| C18H34O3 | 298.25079 | -0.733 | 5-Hexyltetrahydro-2-furanoctanoic acid | HMDB: HMDB0031127 |
| C18H34O3 | 298.25079 | -0.733 | 10-Oxooctadecanoic acid | HMDB: HMDB0030980 LipidMAPS: LMFA02000246 |
| C18H34O3 | 298.25079 | -0.733 | 13-hydroperoxy-14E-octadecenoic acid | LipidMAPS: LMFA02000098 |
| C18H34O3 | 298.25079 | -0.733 | 9-hydroxy-11Z-Octadecenoic acid | LipidMAPS: LMFA02000309 |
| C18H34O3 | 298.25079 | -0.733 | 13R-hydroxy11E-octadecenoic acid | LipidMAPS: LMFA02000093, LMFA02000094 |
| C18H34O3 | 298.25079 | -0.733 | 18-Hydroxyoleate | HMDB: [-1]HMDB0304033 KEGG: C19616 KNApSAcK: C00007439 LipidMAPS: LMFA02000181 |
| C18H34O3 | 298.25079 | -0.733 | Ricinoleic acid | HMDB: HMDB0034297, HMDB0242322 KEGG: C08365 KNApSAcK: C00001237 LipidMAPS: LMFA02000150, LMFA02000184, LMFA02000212, LMFA02000213, LMFA02000214 |
| C18H34O3 | 298.25079 | -0.733 | 15-oxo-octadecanoic acid | LipidMAPS: LMFA02000259 |
| C18H34O3 | 298.25079 | -0.733 | 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: 299.25754 |
| Splash: splash10-001i-0090000000-3fdae1ba6d8707082f61 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 281.27 | 363032 | 18 | 1000 |
| 263.28 | 80274 | 36 | 221 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.056 | [Isoflavone]-A(1OH, 1OMe)-B(1OH) | Isoflavone | 8-O-Methylretusin |
| 0.048 | [Isoflavone]-A(1OH)-B(2OMe) | Isoflavone | Cladrin |
| 0.048 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe) | Isoflavone | Afrormosin |
| 0.048 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe) | Isoflavone | Alfalone |
| 0.048 | [Isoflavone]-A(1OH, 1OMe)-B(1OMe) | Isoflavone | 5-O-Methylbiochanin A |
| 0.048 | [Isoflavone]-A(1OMe)-B(1OH, 1OMe) | Isoflavone | Sayanedine |
| 0.000 | [Flavone]-A(1OH)-B(2OMe) | Flavone | 7-Hydroxy-3',4'-dimethoxyflavone |
| 0.000 | [Flavone]-A(1OMe)-B(1OH, 1OMe) | Flavone | Tithonine |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1OMe) | Flavone | 5-Hydroxy-6,2'-dimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1OMe) | Flavone | 5-Hydroxy-7,2'-dimethoxyflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1OMe) | Flavone | Apigenin 5,4'-dimethyl ether |
| 0.000 | [Flavone]-A(2OMe)-B(1OH) | Flavone | Apigenin 5,7-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 1OMe)-B(1OMe) | Flavone | Apigenin 7,4'-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(none) | Flavone | Baicalein 5,6-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(none) | Flavone | Mosloflavone |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(none) | Flavone | Norwogonin 5,8-dimethyl ether |
| 0.000 | [Flavone]-A(1OH, 2OMe)-B(none) | Flavone | Moslosooflavone |
| 0.000 | [Coumestan]-A(1OH)-B(1OH, 1OMe) | Coumestan | 8-Methoxycoumestrol |
| 0.000 | [Coumestan]-A(1OH)-B(1OH, 1OMe) | Coumestan | Trifoliol |
| 0.000 | [Coumestan]-A(1OH, 1OMe)-B(1OH) | Coumestan | Sativol |
| 0.000 | [Flavonol]-A(2OMe)-B(none) | Flavonol | Galangin 5,7-dimethyl ether |
| 0.000 | [Chalcone]-A(1OH, 1OMe, 1Formyl)-B(1OH) | Chalcone | Isoneobavachalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 1OMe, 1Formyl)-B(1OH) | 2'-Hydroxychalcone | Neobavachalcone |
| 0.000 | [2'-Hydroxychalcone]-A(1OH, 2OMe, 1Methyl)-B(none) | 2'-Hydroxychalcone | Aurentiacin |
| 0.000 | [2'-Hydroxychalcone]-A(2OH, 1OMe, 2Methyl)-B(none) | 2'-Hydroxychalcone | 2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone |
| 0.000 | [UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone]-A(1OH, 1OMe, 2Methyl)-B(none) | UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone | Ceroptene |
| 0.000 | [UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone]-A(1Methoxycarbonylmethyl)-B(none) | UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone | Infectocaryone |
| 0.000 | [Flavanone]-A(1OMe, 1Methyl)-B(1OMe) | Flavanone | 7,4'-Dimethoxy-6-C-methylflavanone |
| 0.000 | [Flavanone]-A(2OMe, 1Methyl)-B(none) | Flavanone | 5,7-Dimethoxy-6-C-methylflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 2Methyl)-B(none) | Flavanone | 5-Hydroxy-7-methoxy-6,8-di-C-methylflavanone |
| 0.000 | [Flavanone]-A(1OH, 1OMe, 2Methyl)-B(none) | Flavanone | 6,8-Di-C-methylpinocembrin 5-methyl ether |
| 0.000 | [Flavanone]-A(2OH, 1Formyl, 1Methyl)-B(none) | Flavanone | Lawinal |
| 0.000 | [Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OH) | Flavone | 8-Demethylsideroxylin |
| 0.000 | [Flavone]-A(2OH, 2Methyl)-B(1OH) | Flavone | Syzalterin |
| 0.000 | [Flavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH) | Flavone | Kanzakiflavone 2 |
| 0.000 | [Flavonol (3-OMe)]-A(1OH, 1OMe)-B(none) | Flavonol | Galangin 3,7-dimethyl ether |
| 0.000 | [Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(none) | Flavonol | 5,7-Dihydroxy-3-methoxy-8-methylflavone |
| 0.000 | [Flavonol]-A(1OH, 1OMe, 1Methyl)-B(none) | Flavonol | 3,5-Dihydroxy-7-methoxy-8-methylflavone |
| 0.000 | [Flavonol]-A(2OH, 2Methyl)-B(none) | Flavonol | 6,8-Dimethylgalangin |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavone | Peltogynin |
| 0.000 | [CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH)-B(2OH) | CCS-type derivative / [3,2']-Epoxymethanoflavone | Mopanin |
| 0.000 | [3-DehydroxyAnthocyanidin]-A(2OH, 1OMe)-B(1OMe) | 3-DehydroxyAnthocyanidin | Carajurin |
| 0.000 | [Isoflavone]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy)) | Isoflavone | 2-Hydroxypseudobaptigenin |
| 0.000 | [Isoflavone]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy)) | Isoflavone | Glyzaglabrin |
| 0.000 | [Isoflavone]-A(2OH)-B(1([@@]-Methylenedioxy)) | Isoflavone | 5-Hydroxypseudobaptigenin |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH) | Isoflavone | Irisone B |
| 0.000 | [Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH) | Isoflavone | Irilone |
| 0.000 | [UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavone]-A(1OH)-B(1OMe) | UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavone | Bowdichione |
| 0.000 | [Pterocarpan]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpan | Pterocarpin |
| 0.000 | [3-Phenylcoumarin]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy)) | 3-Phenylcoumarin | 7,2'-Dihydroxy-4',5'-methylenedioxy-3-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 2OMe)-B(none) | 4-phenylcoumarin | Kuhlmannin |
| 0.000 | [4-phenylcoumarin]-A(2OMe)-B(1OH) | 4-phenylcoumarin | 4'-Hydroxy-5,7-dimethoxy-4-phenylcoumarin |
| 0.000 | [4-phenylcoumarin]-A(1OH, 1OMe)-B(1OMe) | 4-phenylcoumarin | 5-Hydroxy-7,4'-dimethoxy-4-phenylcoumarin |
| 0.000 | [CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin]-A(1OMe)-B(2OH) | CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin | 4',5'-Dihydroxy-7-methoxy-5,2'-oxido-4-phenylcoumarin |
| Level: 3, プリカーサーm/z: 281.26917 |
| Splash: splash10-03di-0390000000-140d920f493c1907085e |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 263.31 | 65632 | 18 | 1000 |
| 245.18 | 11580 | 36 | 176 |
| 121.01 | 7843 | 160 | 119 |
| 135.06 | 6285 | 146 | 95 |
| 149.08 | 4916 | 132 | 74 |
| 163.17 | 4586 | 118 | 69 |
| 175.21 | 3431 | 106 | 52 |
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: 263.28381 |
| Splash: splash10-022j-0900000000-13f25774801a1e9f93ea |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 135.13 | 4805 | 128 | 1000 |
| 121.06 | 4655 | 142 | 968 |
| 149.03 | 3335 | 114 | 693 |
| 163.15 | 2269 | 100 | 472 |
| 245.22 | 1479 | 18 | 307 |
| 107.06 | 846 | 156 | 176 |
| 175.18 | 720 | 88 | 149 |
| 161.18 | 629 | 102 | 130 |
| 78.90 | 615 | 184 | 127 |
| 123.11 | 580 | 140 | 120 |
| 189.03 | 574 | 74 | 119 |
| 80.95 | 561 | 182 | 116 |
| 137.13 | 472 | 126 | 98 |
| 153.07 | 329 | 110 | 68 |
| 95.15 | 260 | 168 | 54 |
| 133.02 | 260 | 130 | 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 |