Predicted GC-MS Spectrum - GC-MS (TMS_3_6) - 70eV, Positive (MMDBc0018208)
Spectrum Details
| MiMe ID: | MMDBc0018208 |
|---|---|
| Compound Name: | Chloropupukeanone A |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC(=O)[C@@]12C=C(O[Si](C)(C)C)[C@@]3(Cl)[C@@](O)(C1=O)C(C1=C[C@H](O)[C@@H]4O[C@]4(CC=C(C)C)[C@@H]1OC(=O)C1=C(O[Si](C)(C)C)C=C(C)C=C1O[Si](C)(C)C)=C[C@@]3(C)C2 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_6) - 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: | C32H33ClO11 |
| Molecular Weight (Monoisotopic Mass): | 628.1711 Da |
| Derivative Type: | TMS_3_6 |
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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References