ピーク情報
|
（くり類） 日本ぐり 生
pos
|
| Peak #1833 MN MID: SE123_S050101_M90 |
| m/z: 297.13325, RT: 34.52, 強度: 3192, ログ強度: 0.09, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 7 |
| DB検索結果: (35 names) Trimethylolpropane triacrylate;2-Ethyl-2-(hydroxymethyl)-1,3-propanediol triacrylate;TMPTA;Artecanin hydrate;(-)-Mniopetal E;Mniopetal E;Chavicol beta-D-glucoside;ROSIN;epi-5-Hydroperoxy-5,6-dihydro-6... |
| DBごとのヒット数: ALL 25 KG 2 KN 19 HM 4 |
| FlavonoidSearch最大スコア MS2: 0.083, 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 |
|---|---|---|---|---|
| C15H20O6 | 296.12599 | -0.046 | Trimethylolpropane triacrylate | KEGG: C14537 |
| C15H20O6 | 296.12599 | -0.046 | Artecanin hydrate | KNApSAcK: C00020699, C00036425 |
| C15H20O6 | 296.12599 | -0.046 | (-)-Mniopetal E | KNApSAcK: C00016643 |
| C15H20O6 | 296.12599 | -0.046 | Chavicol beta-D-glucoside | HMDB: HMDB0041617 KNApSAcK: C00045259 |
| C15H20O6 | 296.12599 | -0.046 | Rosin | HMDB: HMDB0257310 KNApSAcK: C00031186 |
| C15H20O6 | 296.12599 | -0.046 | (1R,2S,7R,9R,10R,12R)-10-Hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodecane-12,2'-oxirane]-3,4-dione | HMDB: HMDB0260070 |
| C15H20O6 | 296.12599 | -0.046 | epi-5-Hydroperoxy-5,6-dihydro-6,13-dehydro-antheindurolide A | KNApSAcK: C00033814 |
| C15H20O6 | 296.12599 | -0.046 | Tanciloide | KNApSAcK: C00020700, C00020701 |
| C15H20O6 | 296.12599 | -0.046 | Coriatin | KNApSAcK: C00021363 |
| C15H20O6 | 296.12599 | -0.046 | Cyclocalopin A | HMDB: HMDB0039810 |
| C15H20O6 | 296.12599 | -0.046 | Amotin | KNApSAcK: C00021361 |
| C15H20O6 | 296.12599 | -0.046 | 3-Oxopseudoanisatin | KNApSAcK: C00044452 |
| C15H20O6 | 296.12599 | -0.046 | Phomopsolide B | KNApSAcK: C00050392 |
| C15H20O6 | 296.12599 | -0.046 | Anislactone B | KNApSAcK: C00047182 |
| C15H20O6 | 296.12599 | -0.046 | Cyclocalopin C1 | HMDB: HMDB0039812 |
| C15H20O6 | 296.12599 | -0.046 | Marasmal | HMDB: HMDB0036867 KNApSAcK: C00020308 |
| C15H20O6 | 296.12599 | -0.046 | Cyclocalopin E | HMDB: HMDB0039814 |
| C15H20O6 | 296.12599 | -0.046 | Porritoxinol | KNApSAcK: C00045383 |
| C15H20O6 | 296.12599 | -0.046 | Vomitoxin | HMDB: HMDB0036156 KEGG: C09747 KNApSAcK: C00003201 LipidMAPS: LMPR0103180002, LMPR0103180004 |
| C15H20O6 | 296.12599 | -0.046 | Ampelomin G | KNApSAcK: C00047178 |
| C15H20O6 | 296.12599 | -0.046 | Leptin D | KNApSAcK: C00049198 |
| C15H20O6 | 296.12599 | -0.046 | Dihydrotutin | KNApSAcK: C00031752 |
| C15H20O6 | 296.12599 | -0.046 | Phomoeuphorbin C | KNApSAcK: C00034136, C00034137 |
| C15H20O6 | 296.12599 | -0.046 | Zedoarolide A | KNApSAcK: C00032548 |
| C15H20O6 | 296.12599 | -0.046 | Oligandrumin D | KNApSAcK: C00047325 |
MSnスペクトル情報
| Level: 2, プリカーサーm/z: 297.13312 |
| Splash: splash10-004i-0090000000-4b287818d19b722282cd |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 279.13 | 633 | 18 | 1000 |
| 121.00 | 97 | 176 | 153 |
| 260.97 | 75 | 36 | 118 |
| 217.08 | 63 | 80 | 99 |
| 251.14 | 61 | 46 | 96 |
| 239.13 | 59 | 58 | 92 |
| 253.06 | 44 | 44 | 68 |
| 281.05 | 41 | 16 | 64 |
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: 279.14203 |
| Splash: splash10-03l0-0490000000-1f9ca0df143442b58bd8 |
| m/z | Int. | NL | Rel.Int. |
|---|---|---|---|
| 261.18 | 43 | 18 | 1000 |
| 233.02 | 22 | 46 | 518 |
| 221.28 | 20 | 58 | 466 |
| 201.20 | 16 | 78 | 381 |
| 131.14 | 15 | 148 | 342 |
| 216.90 | 11 | 62 | 253 |
| 163.29 | 10 | 116 | 231 |
| 203.26 | 9 | 76 | 209 |
| 120.96 | 9 | 158 | 206 |
| 170.98 | 8 | 108 | 186 |
| 215.01 | 8 | 64 | 181 |
| 175.22 | 8 | 104 | 180 |
| 246.36 | 7 | 33 | 169 |
| 173.12 | 7 | 106 | 167 |
| 199.88 | 7 | 79 | 164 |
| 141.10 | 7 | 138 | 163 |
| 235.09 | 7 | 44 | 152 |
| 205.40 | 6 | 74 | 150 |
| 95.96 | 6 | 183 | 147 |
| 161.17 | 6 | 118 | 145 |
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 |