Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0023686)
Spectrum Details
| MiMe ID: | MMDBc0023686 |
|---|---|
| Compound Name: | (4R,5R,7S)-eremophil-9-ene-4,11-diol |
| Derivative IUPAC Name: | {[(1R,7S,8aR)-1,8a-dimethyl-7-{2-[(trimethylsilyl)oxy]propan-2-yl}-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy}trimethylsilane |
| Derivative SMILES: | CC(C)(O[Si](C)(C)C)[C@H]1CC=C2CCC[C@@](C)(O[Si](C)(C)C)[C@]2(C)C1 |
| Derivative InChIKey: | InChIKey=IMQQJVMSAXWPMD-CEWLAPEOSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C15H26O2 |
| Molecular Weight (Monoisotopic Mass): | 238.1933 Da |
| Derivative Type: | TMS_2_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 | 769 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References