Predicted GC-MS Spectrum - Atorvastatin GC-MS (TBDMS_1_4) - 70eV, Positive (HMDB0005006)
Spectrum Details
| HMDB ID: | HMDB0005006 |
|---|---|
| Compound Name: | Atorvastatin |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(C)C1=C(C(=O)N(C2=CC=CC=C2)[Si](C)(C)C(C)(C)C)C(C2=CC=CC=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Atorvastatin GC-MS (TBDMS_1_4) - 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: | C33H35FN2O5 |
| Molecular Weight (Monoisotopic Mass): | 558.253 Da |
| Derivative Type: | TBDMS_1_4 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)C1=C(C(=O)N(C2=CC=CC=C2)[Si](C)(C)C(C)(C)C)C(C2=CC=CC=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 748 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available