Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive (MMDBc0023687)
Spectrum Details
| MiMe ID: | MMDBc0023687 |
|---|---|
| Compound Name: | (1S,3S,4R,5S,7S)-eremophil-9-ene-1,3,11-triol |
| Derivative IUPAC Name: | (1S,3S,4R,4aS,6S)-4,4a-dimethyl-3-[(trimethylsilyl)oxy]-6-{2-[(trimethylsilyl)oxy]propan-2-yl}-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-ol |
| Derivative SMILES: | C[C@H]1[C@@H](O[Si](C)(C)C)C[C@H](O)C2=CC[C@H](C(C)(C)O[Si](C)(C)C)C[C@]21C |
| Derivative InChIKey: | InChIKey=AZLUBHHPHNNIPI-CJGRYMHTSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 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_2_3 |
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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References