Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0023928)
Spectrum Details
| MiMe ID: | MMDBc0023928 |
|---|---|
| Compound Name: | (3S)-1,4-epi-3-hydroxyacorenone |
| Derivative IUPAC Name: | {[(1S,2S,4R,5R)-1,8-dimethyl-4-(propan-2-yl)-2-[(trimethylsilyl)oxy]spiro[4.5]deca-6,8-dien-7-yl]oxy}trimethylsilane |
| Derivative SMILES: | CC1=CC[C@]2(C=C1O[Si](C)(C)C)[C@H](C)[C@@H](O[Si](C)(C)C)C[C@@H]2C(C)C |
| Derivative InChIKey: | InChIKey=JOUSNFVGOZUSRU-BNDYYXHWSA-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: | C15H24O2 |
| Molecular Weight (Monoisotopic Mass): | 236.1776 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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References