Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0032848)
Spectrum Details
| MiMe ID: | MMDBc0032848 |
|---|---|
| Compound Name: | 1,3,7-trimethyl-5-hydroxyisouric acid |
| Derivative IUPAC Name: | 1,3,7-trimethyl-5-[(trimethylsilyl)oxy]-2,3,5,6,7,8-hexahydro-1H-purine-2,6,8-trione |
| Derivative SMILES: | CN1C(=O)N(C)C2=NC(=O)N(C)C2(O[Si](C)(C)C)C1=O |
| Derivative InChIKey: | InChIKey=VGMKCWJLGNRYGR-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_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: | C8H10N4O4 |
| Molecular Weight (Monoisotopic Mass): | 226.0702 Da |
| Derivative Type: | TMS_1_1 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References