ピーク情報
|
イネ 玄米 コシヒカリ
pos
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| Peak #4731 MN MID: SE199_S11_M90 |
| m/z: 297.24255, RT: 78.50, 強度: 5234, ログ強度: 0.28, 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: (30 names) 3-Acetoxy-hexadecanoic acid;8-hydroperoxy-6E-octadecenoic acid;7-hydroperoxy-5E-octadecenoic acid;12R-hydroperoxy-13E-octadecenoic acid;12,13-DHOME;9-Hydroxy-10-oxooctadecanoic acid;12-hydroperoxy10E-... |
| DBごとのヒット数: ALL 30 KG 5 HM 1 LM 24 |
| 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 |
|---|---|---|---|---|
| C18H34O4 | 314.24571 | 0.414 | 3-Acetoxy-hexadecanoic acid | LipidMAPS: LMFA01050550 |
| C18H34O4 | 314.24571 | 0.414 | 8-hydroperoxy-6E-octadecenoic acid | LipidMAPS: LMFA02000079 |
| C18H34O4 | 314.24571 | 0.414 | 7-hydroperoxy-5E-octadecenoic acid | LipidMAPS: LMFA02000078 |
| C18H34O4 | 314.24571 | 0.414 | 12R-hydroperoxy-13E-octadecenoic acid | LipidMAPS: LMFA02000070, LMFA02000071, LMFA02000074, LMFA02000075 |
| C18H34O4 | 314.24571 | 0.414 | 12,13-DHOME | HMDB: HMDB0004705 KEGG: C14829 LipidMAPS: LMFA02000164, LMFA02000230, LMFA02000302 |
| C18H34O4 | 314.24571 | 0.414 | 9-Hydroxy-10-oxooctadecanoic acid | LipidMAPS: LMFA01060213 |
| C18H34O4 | 314.24571 | 0.414 | 12-hydroperoxy10E-octadecenoic acid | LipidMAPS: LMFA02000082 |
| C18H34O4 | 314.24571 | 0.414 | 8-hydroperoxy-9Z-octadecenoic acid | LipidMAPS: LMFA02000061, LMFA02000118 |
| C18H34O4 | 314.24571 | 0.414 | Dibutyl decanedioate | HMDB: HMDB0041220 |
| C18H34O4 | 314.24571 | 0.414 | 8R,11S-dihydroxy-9Z-octadecenoic acid | LipidMAPS: LMFA02000063 |
| C18H34O4 | 314.24571 | 0.414 | 7,10-dihydroxy-8E-octadecenoic acid | LipidMAPS: LMFA02000060, LMFA02000327 |
| C18H34O4 | 314.24571 | 0.414 | Octadecendioic acid | HMDB: HMDB0000782, [-2]HMDB0302976 LipidMAPS: LMFA01170029 |
| C18H34O4 | 314.24571 | 0.414 | 6-hydroperoxy-7E-octadecenoic acid | LipidMAPS: LMFA02000097 |
| C18H34O4 | 314.24571 | 0.414 | 11-hydroxy-12,13-epoxy-octadecanoic acid | LipidMAPS: LMFA02000385 |
| C18H34O4 | 314.24571 | 0.414 | 9,10-Epoxy-18-hydroxystearate | HMDB: HMDB0061650, HMDB0302107 KEGG: C19620 KNApSAcK: C00034432 LipidMAPS: LMFA02000003, LMFA02000004 |
| C18H34O4 | 314.24571 | 0.414 | 10-Hydroxy-9-oxooctadecanoic acid | LipidMAPS: LMFA01050538 |
| C18H34O4 | 314.24571 | 0.414 | 9,13-dihydroxy-11-octadecenoic acid | LipidMAPS: LMFA02000163 |
| C18H34O4 | 314.24571 | 0.414 | 9-hydroperoxy-7E-octadecenoic acid | LipidMAPS: LMFA02000080 |
| C18H34O4 | 314.24571 | 0.414 | 13R-hydroperoxy-11E-octadecenoic acid | LipidMAPS: LMFA02000068, LMFA02000069 |
| C18H34O4 | 314.24571 | 0.414 | 2-oxo-3-hydroxyoctadecanoic acid | LipidMAPS: LMFA01060209 |
| C18H34O4 | 314.24571 | 0.414 | 11-hydroperoxy-12Z-octadecenoic acid | LipidMAPS: LMFA02000067, LMFA02000116 |
| C18H34O4 | 314.24571 | 0.414 | 11-hydroperoxy9Z-octadecenoic acid | LipidMAPS: LMFA02000081 |
| C18H34O4 | 314.24571 | 0.414 | 10R-hydroperoxy-11Z-octadecenoic acid | LipidMAPS: LMFA02000076 |
| C18H34O4 | 314.24571 | 0.414 | (9Z)-(7S,8S)-Dihydroxyoctadecenoic acid | KEGG: C07355 LipidMAPS: LMFA01050451, LMFA02000225 |
| C18H34O4 | 314.24571 | 0.414 | (8E,10S)-10-Hydroperoxyoctadeca-8-enoate | KEGG: C20702 LipidMAPS: LMFA02000059, LMFA02000119 |
| C18H34O4 | 314.24571 | 0.414 | 5S,8R-dihydroxy-9Z-octadecenoic acid | LipidMAPS: LMFA02000062 |
| C18H34O4 | 314.24571 | 0.414 | 14R-hydroperoxy-12E-octadecenoic acid | LipidMAPS: LMFA02000072, LMFA02000073 |
| C18H34O4 | 314.24571 | 0.414 | 9-hydroperoxy-10E-octadecenoic acid | LipidMAPS: LMFA02000117 |
| C18H34O4 | 314.24571 | 0.414 | 9,13-dihydroxy-10-octadecenoic acid | LipidMAPS: LMFA02000162 |
| C18H34O4 | 314.24571 | 0.414 | 9,10-DHOME | HMDB: HMDB0004704 KEGG: C14828 LipidMAPS: LMFA02000161, LMFA02000229 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 297.24249 |
| Splash: splash10-004i-0090000000-cc8bae0ab2a9aa880913 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 279.27 | 5670 | 18 | 1000 |
| 261.21 | 388 | 36 | 68 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Coumestan]-A(1OMe)-B(1OMe) | Coumestan | Coumestrol dimethyl ether |
| 0.000 | [Flavone]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Flavone | Milleyanaflavone |
| 0.000 | [Flavone]-A(2OMe, 1Methyl)-B(none) | Flavone | 5,7-Dimethoxy-6-C-methylflavone |
| 0.000 | [Flavone]-A(1OH, 1OMe, 2Methyl)-B(none) | Flavone | Desmosflavone |
| 0.000 | [Flavone]-A(2OH, 1Formyl, 1Methyl)-B(none) | Flavone | Unonal |
| 0.000 | [Flavone]-A(2OH, 1Formyl, 1Methyl)-B(none) | Flavone | Isounonal |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(none) | Flavone | 5-Methoxy-6,7-methylenedioxyflavone |
| 0.000 | [Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(none) | Flavone | 5-Methoxy-7,8-methylenedioxyflavone |
| 0.000 | [UBR-type derivative / 7-Oxocyclohexa-4a,5-dienyl-type Flavone]-A(1OH, 3Methyl)-B(none) | UBR-type derivative / 7-Oxocyclohexa-4a,5-dienyl-type Flavone | Dasytrichone |
| 0.000 | [Isoflavone]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Isoflavone | Pseudobaptigenin methyl ether |
| 0.000 | [Isoflavone]-A(1([@@]-Methylenedioxy))-B(1OMe) | Isoflavone | Maximaisoflavone H |
| 0.000 | [Pterocarpene]-A(1OMe)-B(1([@@]-Methylenedioxy)) | Pterocarpene | Anhydropisatin |
| 0.000 | [Coumestan]-A(1OH)-B(1([@@]-Methylenedioxy)) | Coumestan | Medicagol |