Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive (PHUB002340)
Spectrum Details
| PHUB ID: | PHUB002340 |
|---|---|
| Compound Name: | 1-methylxanthine |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | Not Available |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive |
| Splash Key: | splash10-0apr-3900000000-88bd492326591e730086 |
| 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: | C6H6N4O2 |
| Molecular Weight (Monoisotopic Mass): | 166.0491 Da |
Notes
Predicted by CFMID-EI, energy0
Documentation
Not Available
References
Not Available