Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive (MMDBc0025029)
Spectrum Details
| MiMe ID: | MMDBc0025029 |
|---|---|
| Compound Name: | (1S,6S,7R)-aspergilloid C |
| Derivative IUPAC Name: | (1S,4R,4aS,8aS)-4-(propan-2-yl)-8-[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]carbonyl}-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylic acid |
| Derivative SMILES: | CC(C)[C@H]1CC[C@H](C(=O)O)[C@H]2C(O[Si](C)(C)C)=CC(C(=O)O[Si](C)(C)C)=C[C@@H]21 |
| Derivative InChIKey: | InChIKey=HUKLEOPJRBLVCP-SFNKJDCFSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 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: | C15H20O5 |
| Molecular Weight (Monoisotopic Mass): | 280.1311 Da |
| Derivative Type: | TMS_2_5 |
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 | 778 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References