Predicted GC-MS Spectrum - GC-MS (TMS_3_12) - 70eV, Positive (CHEM022111)
Spectrum Details
| chemdb ID: | CHEM022111 |
|---|---|
| Compound Name: | Clomocycline |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_12) - 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: | C23H25ClN2O9 |
| Molecular Weight (Monoisotopic Mass): | 508.1249 Da |
| Molecular Weight (Avergae Mass): | 508.906 Da |
| Derivative Type: | TMS_3_12 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CN(C)[C@@H]1C(O)=C(C(=O)N(CO)[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4[C@@](C)(O)[C@H]3C[C@@H]12)
Documentation
| Document Description | Download |
|---|---|
| List of m/z values for the spectrum | Download file |
| mzML formatted file | Download file |
References
Not Available