Predicted GC-MS Spectrum - GC-MS (TMS_6_1) - 70eV, Positive (MMDBc0031731)
Spectrum Details
| MiMe ID: | MMDBc0031731 |
|---|---|
| Compound Name: | 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole |
| Derivative IUPAC Name: | trimethylsilyl N-{1-[(2R,3R,4R,5R)-5-[({bis[(trimethylsilyl)oxy]phosphoryl}oxy)methyl]-3,4-bis[(trimethylsilyl)oxy]oxolan-2-yl]-1H-imidazol-5-yl}-N-(trimethylsilyl)carbamate |
| Derivative SMILES: | C[Si](C)(C)OC(=O)N(C1=CN=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=VOVAWSUTMFHWKS-VNSJUHMKSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_6_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: | C9H14N3O9P |
| Molecular Weight (Monoisotopic Mass): | 339.0468 Da |
| Derivative Type: | TMS_6_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 | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References