Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0028006)
Spectrum Details
| MiMe ID: | MMDBc0028006 |
|---|---|
| Compound Name: | (1S,2R,4R,5S)-14-deoxy-aspergiketone |
| Derivative IUPAC Name: | trimethyl({[(1S,2R,5R)-4-methyl-6-methylidene-2-(2-methylprop-1-en-1-yl)-3-[(trimethylsilyl)oxy]bicyclo[3.3.1]non-3-en-1-yl]oxy})silane |
| Derivative SMILES: | C=C1CC[C@]2(O[Si](C)(C)C)C[C@H]1C(C)=C(O[Si](C)(C)C)[C@@H]2C=C(C)C |
| Derivative InChIKey: | InChIKey=JUWWWHVPBUBVTD-DYXWJJEUSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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_2_2 |
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 | 770 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References