Predicted GC-MS Spectrum - Sorafenib beta-D-Glucuronide GC-MS (TMS_2_14) - 70eV, Positive (HMDB0060872)
Spectrum Details
| HMDB ID: | HMDB0060872 |
|---|---|
| Compound Name: | Sorafenib beta-D-Glucuronide |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CNC(=O)C1=CC(OC2=CC=C(N(C(=O)N(C3=CC=C(Cl)C(C(F)(F)F)=C3)[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)[Si](C)(C)C)C=C2)=CC=N1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Sorafenib beta-D-Glucuronide GC-MS (TMS_2_14) - 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: | C27H24ClF3N4O9 |
| Molecular Weight (Monoisotopic Mass): | 640.1184 Da |
| Derivative Type: | TMS_2_14 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CNC(=O)C1=CC(OC2=CC=C(N(C(=O)N(C3=CC=C(Cl)C(C(F)(F)F)=C3)[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)[Si](C)(C)C)C=C2)=CC=N1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 755 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available