Predicted GC-MS Spectrum - N-Desmethylritonavir GC-MS (TBDMS_1_4) - 70eV, Positive (HMDB0060896)
Spectrum Details
| HMDB ID: | HMDB0060896 |
|---|---|
| Compound Name: | N-Desmethylritonavir |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(C)C1=NC(CN=C(O)N[C@H](C(O)=N[C@@H](CC2=CC=CC=C2)C[C@H](O)[C@H](CC2=CC=CC=C2)N=C(OCC2=CN=CS2)O[Si](C)(C)C(C)(C)C)C(C)C)=CS1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - N-Desmethylritonavir 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: | C36H46N6O5S2 |
| Molecular Weight (Monoisotopic Mass): | 706.2971 Da |
| Derivative Type: | TBDMS_1_4 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)C1=NC(CN=C(O)N[C@H](C(O)=N[C@@H](CC2=CC=CC=C2)C[C@H](O)[C@H](CC2=CC=CC=C2)N=C(OCC2=CN=CS2)O[Si](C)(C)C(C)(C)C)C(C)C)=CS1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 752 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available