Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0011823)
Spectrum Details
| MiMe ID: | MMDBc0011823 |
|---|---|
| Compound Name: | 2,4,6,8-Decatetraenedioic acid, mono[2-methoxy-4-methylene-3-[2-methyl-3-(3-methyl-2-butenyl)-2-oxiranyl]cyclohex-1-yl] ester [1R-[1β(2E,4E,6E,8E),2β,3α(2R∗,3R∗)]] (2) |
| Derivative IUPAC Name: | (1R,2S,3R)-2-methoxy-3-[(3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-4-methylidenecyclohexyl 1-trimethylsilyl (2E,4E,6E,8E)-deca-2,4,6,8-tetraenedioate |
| Derivative SMILES: | C=C1CC[C@@H](OC(=O)/C=C/C=C/C=C/C=C/C(=O)O[Si](C)(C)C)[C@@H](OC)[C@@H]1C1(C)O[C@@H]1CC=C(C)C |
| Derivative InChIKey: | InChIKey=UACVGTJXQBVJLO-MWJMBNGLSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive |
| Splash Key: | Not Available |
| Notes: | This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification. |
Spectrum View
Experimental Conditions
| Ionization Mode: | Positive |
|---|---|
| Ionization Energy: | 70 eV |
| Chromatography Type: | Gas Chromatography Column (GC) |
| Instrument Type: | Single quadrupole, spectrum predicted by CFM-ID(EI) |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C26H34O6 |
| Molecular Weight (Monoisotopic Mass): | 442.2355 Da |
| Derivative Type: | TMS_1_1 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References