Predicted GC-MS Spectrum - Cefoperazone GC-MS (TBDMS_2_2) - 70eV, Positive (HMDB0015424)
Spectrum Details
| HMDB ID: | HMDB0015424 |
|---|---|
| Compound Name: | Cefoperazone |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CCN1CCN(C(=O)N(C(C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSC4=NN=NN4C)CS[C@H]23)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[Si](C)(C)C(C)(C)C)C(=O)C1=O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Cefoperazone GC-MS (TBDMS_2_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: | C25H27N9O8S2 |
| Molecular Weight (Monoisotopic Mass): | 645.1424 Da |
| Derivative Type: | TBDMS_2_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCN1CCN(C(=O)N(C(C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSC4=NN=NN4C)CS[C@H]23)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[Si](C)(C)C(C)(C)C)C(=O)C1=O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 751 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available