Predicted GC-MS Spectrum - GC-MS (TMS_3_2) - 70eV, Positive (MMDBc0002348)
Spectrum Details
| MiMe ID: | MMDBc0002348 |
|---|---|
| Compound Name: | Aculeatusquinone C |
| Derivative IUPAC Name: | (5R,6S)-4-{2,5-dimethyl-3-[(trimethylsilyl)oxy]phenoxy}-5-methoxy-2,5-dimethyl-3,6-bis[(trimethylsilyl)oxy]cyclohexa-1,3-dien-1-ol |
| Derivative SMILES: | CO[C@@]1(C)C(OC2=CC(C)=CC(O[Si](C)(C)C)=C2C)=C(O[Si](C)(C)C)C(C)=C(O)[C@@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=JRUQGXIHTACLPR-AZGAKELHSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_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: | C17H22O6 |
| Molecular Weight (Monoisotopic Mass): | 322.1416 Da |
| Derivative Type: | TMS_3_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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References