Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0002703)
Spectrum Details
| MiMe ID: | MMDBc0002703 |
|---|---|
| Compound Name: | 1-hydroxyeremophil-7(11),9(10)-dien-8-one |
| Derivative IUPAC Name: | (4aR,5S)-4a,5-dimethyl-3-(propan-2-ylidene)-8-[(trimethylsilyl)oxy]-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one |
| Derivative SMILES: | CC(C)=C1C[C@@]2(C)C(=CC1=O)C(O[Si](C)(C)C)CC[C@@H]2C |
| Derivative InChIKey: | InChIKey=WHOWJJPFYFWQJD-DOBMPVPNSA-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: | C15H22O2 |
| Molecular Weight (Monoisotopic Mass): | 234.162 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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References