Predicted GC-MS Spectrum - 4-((4-(2-(6-((2R)-2-(2,4-Difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1H-tetrazol-1-yl)propyl)-3-pyridinyl)ethynyl)phenoxy)methyl)benzonitrile GC-MS (TBDMS_1_1) - 70eV, Positive (HMDB0260271)
Spectrum Details
| HMDB ID: | HMDB0260271 |
|---|---|
| Compound Name: | 4-((4-(2-(6-((2R)-2-(2,4-Difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1H-tetrazol-1-yl)propyl)-3-pyridinyl)ethynyl)phenoxy)methyl)benzonitrile |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)OC(CN1C=NN=N1)(C1=CC=C(F)C=C1F)C(F)(F)C1=CC=C(C#CC2=CC=C(OCC3=CC=C(C#N)C=C3)C=C2)C=N1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 4-((4-(2-(6-((2R)-2-(2,4-Difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1H-tetrazol-1-yl)propyl)-3-pyridinyl)ethynyl)phenoxy)methyl)benzonitrile GC-MS (TBDMS_1_1) - 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: | C31H20F4N6O2 |
| Molecular Weight (Monoisotopic Mass): | 584.1584 Da |
| Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC(CN1C=NN=N1)(C1=CC=C(F)C=C1F)C(F)(F)C1=CC=C(C#CC2=CC=C(OCC3=CC=C(C#N)C=C3)C=C2)C=N1)
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