ピーク情報
|
イネ 玄米 コシヒカリ
pos
|
| Peak #4795 MN MID: SE199_S11_M90 |
| m/z: 297.24239, RT: 79.30, 強度: 7723, ログ強度: 0.46, 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 | -0.107 | 3-Acetoxy-hexadecanoic acid | LipidMAPS: LMFA01050550 |
| C18H34O4 | 314.24571 | -0.107 | 8-hydroperoxy-6E-octadecenoic acid | LipidMAPS: LMFA02000079 |
| C18H34O4 | 314.24571 | -0.107 | 7-hydroperoxy-5E-octadecenoic acid | LipidMAPS: LMFA02000078 |
| C18H34O4 | 314.24571 | -0.107 | 12R-hydroperoxy-13E-octadecenoic acid | LipidMAPS: LMFA02000070, LMFA02000071, LMFA02000074, LMFA02000075 |
| C18H34O4 | 314.24571 | -0.107 | 12,13-DHOME | HMDB: HMDB0004705 KEGG: C14829 LipidMAPS: LMFA02000164, LMFA02000230, LMFA02000302 |
| C18H34O4 | 314.24571 | -0.107 | 9-Hydroxy-10-oxooctadecanoic acid | LipidMAPS: LMFA01060213 |
| C18H34O4 | 314.24571 | -0.107 | 12-hydroperoxy10E-octadecenoic acid | LipidMAPS: LMFA02000082 |
| C18H34O4 | 314.24571 | -0.107 | 8-hydroperoxy-9Z-octadecenoic acid | LipidMAPS: LMFA02000061, LMFA02000118 |
| C18H34O4 | 314.24571 | -0.107 | Dibutyl decanedioate | HMDB: HMDB0041220 |
| C18H34O4 | 314.24571 | -0.107 | 8R,11S-dihydroxy-9Z-octadecenoic acid | LipidMAPS: LMFA02000063 |
| C18H34O4 | 314.24571 | -0.107 | 7,10-dihydroxy-8E-octadecenoic acid | LipidMAPS: LMFA02000060, LMFA02000327 |
| C18H34O4 | 314.24571 | -0.107 | Octadecendioic acid | HMDB: HMDB0000782, [-2]HMDB0302976 LipidMAPS: LMFA01170029 |
| C18H34O4 | 314.24571 | -0.107 | 6-hydroperoxy-7E-octadecenoic acid | LipidMAPS: LMFA02000097 |
| C18H34O4 | 314.24571 | -0.107 | 11-hydroxy-12,13-epoxy-octadecanoic acid | LipidMAPS: LMFA02000385 |
| C18H34O4 | 314.24571 | -0.107 | 9,10-Epoxy-18-hydroxystearate | HMDB: HMDB0061650, HMDB0302107 KEGG: C19620 KNApSAcK: C00034432 LipidMAPS: LMFA02000003, LMFA02000004 |
| C18H34O4 | 314.24571 | -0.107 | 10-Hydroxy-9-oxooctadecanoic acid | LipidMAPS: LMFA01050538 |
| C18H34O4 | 314.24571 | -0.107 | 9,13-dihydroxy-11-octadecenoic acid | LipidMAPS: LMFA02000163 |
| C18H34O4 | 314.24571 | -0.107 | 9-hydroperoxy-7E-octadecenoic acid | LipidMAPS: LMFA02000080 |
| C18H34O4 | 314.24571 | -0.107 | 13R-hydroperoxy-11E-octadecenoic acid | LipidMAPS: LMFA02000068, LMFA02000069 |
| C18H34O4 | 314.24571 | -0.107 | 2-oxo-3-hydroxyoctadecanoic acid | LipidMAPS: LMFA01060209 |
| C18H34O4 | 314.24571 | -0.107 | 11-hydroperoxy-12Z-octadecenoic acid | LipidMAPS: LMFA02000067, LMFA02000116 |
| C18H34O4 | 314.24571 | -0.107 | 11-hydroperoxy9Z-octadecenoic acid | LipidMAPS: LMFA02000081 |
| C18H34O4 | 314.24571 | -0.107 | 10R-hydroperoxy-11Z-octadecenoic acid | LipidMAPS: LMFA02000076 |
| C18H34O4 | 314.24571 | -0.107 | (9Z)-(7S,8S)-Dihydroxyoctadecenoic acid | KEGG: C07355 LipidMAPS: LMFA01050451, LMFA02000225 |
| C18H34O4 | 314.24571 | -0.107 | (8E,10S)-10-Hydroperoxyoctadeca-8-enoate | KEGG: C20702 LipidMAPS: LMFA02000059, LMFA02000119 |
| C18H34O4 | 314.24571 | -0.107 | 5S,8R-dihydroxy-9Z-octadecenoic acid | LipidMAPS: LMFA02000062 |
| C18H34O4 | 314.24571 | -0.107 | 14R-hydroperoxy-12E-octadecenoic acid | LipidMAPS: LMFA02000072, LMFA02000073 |
| C18H34O4 | 314.24571 | -0.107 | 9-hydroperoxy-10E-octadecenoic acid | LipidMAPS: LMFA02000117 |
| C18H34O4 | 314.24571 | -0.107 | 9,13-dihydroxy-10-octadecenoic acid | LipidMAPS: LMFA02000162 |
| C18H34O4 | 314.24571 | -0.107 | 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: 297.24213 |
| Splash: splash10-004i-0090000000-2d0555078c2d8e25d177 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 279.26 | 15437 | 18 | 1000 |
| 261.34 | 1127 | 36 | 73 |
| 171.12 | 1095 | 126 | 70 |
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 |
| Level: 3, プリカーサーm/z: 279.25809 |
| Splash: splash10-03di-0590000000-c765fafd676b4568a3f9 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 261.24 | 2985 | 18 | 1000 |
| 243.28 | 1060 | 36 | 355 |
| 137.13 | 376 | 142 | 126 |
| 95.11 | 364 | 184 | 121 |
| 209.19 | 293 | 70 | 98 |
| 223.14 | 289 | 56 | 96 |
| 173.08 | 279 | 106 | 93 |
| 123.10 | 276 | 156 | 92 |
| 151.07 | 234 | 128 | 78 |
| 187.14 | 226 | 92 | 75 |
| 161.16 | 216 | 118 | 72 |
| 135.08 | 211 | 144 | 70 |
| 177.23 | 210 | 102 | 70 |
| 165.16 | 187 | 114 | 62 |
| 195.20 | 171 | 84 | 57 |
| 147.12 | 164 | 132 | 54 |
| 109.11 | 160 | 170 | 53 |
| 191.17 | 159 | 88 | 53 |
| 179.14 | 150 | 100 | 50 |
| 233.28 | 150 | 46 | 50 |
FlavonoidSearch結果
| Score | Symbolized Name | MSMS-Category | MSMS-Aglycone |
|---|---|---|---|
| 0.000 | [Aurone]-A(1OH, 1([2,3:@@]-Furano))-B(none) | Aurone | 4-Hydroxyfurano[2'',3'':6,7]aurone |
| 0.000 | [Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(none) | Chalcone | Ovalitenin A |
| 0.000 | [Flavone]-A(1([2,3:@@]-Furano))-B(1OH) | Flavone | 3'-Hydroxy-[2'',3'':7,8]furanoflavone |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-Furano))-B(none) | Flavone | 6-Hydroxyfurano[2'',3'':7,8]flavone |
| 0.000 | [Flavone]-A(1OH, 1([2,3:@@]-Furano))-B(none) | Flavone | Pongaglabol |
| 0.000 | [Pterocarpene]-A(1([2,3:@@]-Furano))-B(1OH) | Pterocarpene | Neorauteen |
| Level: 3, プリカーサーm/z: 261.33710 |
| Splash: splash10-0006-1690000000-22dedcdb7b1b751278c3 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 243.25 | 248 | 18 | 1000 |
| 135.00 | 38 | 126 | 154 |
| 93.07 | 28 | 168 | 113 |
| 163.20 | 23 | 98 | 92 |
| 173.16 | 23 | 88 | 91 |
| 109.08 | 21 | 152 | 84 |
| 161.07 | 16 | 100 | 64 |
| 147.12 | 16 | 114 | 63 |
| 158.96 | 15 | 102 | 59 |
| 187.13 | 14 | 74 | 56 |
| 149.03 | 13 | 112 | 51 |
FlavonoidSearch結果
ヒットなし