Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0023690)
Spectrum Details
| MiMe ID: | MMDBc0023690 |
|---|---|
| Compound Name: | (4R,5R,7R,8R)-eremophil-9-ene-4,8,11-triol |
| Derivative IUPAC Name: | (1R,6R,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,8a-dimethyl-6-[(trimethylsilyl)oxy]-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-ol |
| Derivative SMILES: | CC(C)(O)[C@@H]1C[C@]2(C)C(=C[C@H]1O[Si](C)(C)C)CCC[C@@]2(C)O |
| Derivative InChIKey: | InChIKey=JDSXERAOQFEZDV-JOCBIADPSA-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: | C15H26O3 |
| Molecular Weight (Monoisotopic Mass): | 254.1882 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 | 762 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References