Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive (CDB004827)
Spectrum Details
| CDB ID: | CDB004827 |
|---|---|
| Compound Name: | Orotic acid |
| Derivative IUPAC Name: | 1-(tert-butyldimethylsilyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)N1C(=O)C=C(C(=O)O)[NH]C1=O |
| Derivative InChIKey: | InChIKey=OEZZYROPIAMRBU-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 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: | C5H4N2O4 |
| Molecular Weight (Monoisotopic Mass): | 156.0171 Da |
| Derivative Type: | TBDMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)N1C(=O)C=C(C(=O)O)[NH]C1=O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 746 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available