Predicted GC-MS Spectrum - N-(2-(((2,3-Difluorophenyl)methyl)thio)-6-(((1R,2S)-2,3-dihydroxy-1-methylpropyl)oxy)-4-pyrimidinyl)-1-azetidinesulfonamide GC-MS (TMS_1_3) - 70eV, Positive (HMDB0248775)
Spectrum Details
| HMDB ID: | HMDB0248775 |
|---|---|
| Compound Name: | N-(2-(((2,3-Difluorophenyl)methyl)thio)-6-(((1R,2S)-2,3-dihydroxy-1-methylpropyl)oxy)-4-pyrimidinyl)-1-azetidinesulfonamide |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(OC1=CC(N([Si](C)(C)C)S(=O)(=O)N2CCC2)=NC(SCC2=CC=CC(F)=C2F)=N1)C(O)CO |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - N-(2-(((2,3-Difluorophenyl)methyl)thio)-6-(((1R,2S)-2,3-dihydroxy-1-methylpropyl)oxy)-4-pyrimidinyl)-1-azetidinesulfonamide GC-MS (TMS_1_3) - 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: | C18H22F2N4O5S2 |
| Molecular Weight (Monoisotopic Mass): | 476.1 Da |
| Derivative Type: | TMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(OC1=CC(N([Si](C)(C)C)S(=O)(=O)N2CCC2)=NC(SCC2=CC=CC(F)=C2F)=N1)C(O)CO)
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