Spectrum Details
| Compound Name | Ceftriaxone |
|---|---|
| Spectrum Type | Predicted GC-MS Spectrum |
| Splash Key | splash10-05fr-9774123000-c094d2c5681b0477a4aa |
Spectrum View
Experimental Conditions
| Ionization Mode | Positive |
|---|---|
| Chromatography Type | GC |
| Instrument Type | GC-MS |
| Derivative Type | 1 TMS |
Notes
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(=O)C(=O)[NH]N3C)CS[C@H]12)C1=CSC(N)=N1)
Documentation
| Document Description | Download |
|---|---|
| List of m/z values for the spectrum (TXT) | Download file |
| Generated list of m/z values for the spectrum (TXT) | Download file |
References
- Allen F, Pon A, Greiner R, Wishart D: Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification. Anal Chem. 2016 Aug 2;88(15):7689-97. doi: 10.1021/acs.analchem.6b01622. Epub 2016 Jul 21. [PubMed: 27381172]
Structure
