Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0017355)
Spectrum Details
| MiMe ID: | MMDBc0017355 |
|---|---|
| Compound Name: | Walleminol |
| Derivative IUPAC Name: | (1R,4R,5Z,7R,9R)-6,10,10-trimethyl-2-methylidene-7-[(trimethylsilyl)oxy]bicyclo[7.2.0]undec-5-en-4-ol |
| Derivative SMILES: | C=C1C[C@@H](O)/C=C(/C)[C@H](O[Si](C)(C)C)C[C@@H]2[C@H]1CC2(C)C |
| Derivative InChIKey: | InChIKey=HVYYDGVWAOAHCY-SEWWSOAGSA-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: | C15H24O2 |
| Molecular Weight (Monoisotopic Mass): | 236.1776 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 | 760 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References