Predicted GC-MS Spectrum - GC-MS (TMS_6_44) - 70eV, Positive (MMDBc0054159)
Spectrum Details
| MiMe ID: | MMDBc0054159 |
|---|---|
| Compound Name: | 2-amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one |
| Derivative IUPAC Name: | [(2R,3S,4R,5R)-5-({2-[bis(trimethylsilyl)amino]-6-oxo-5-[N-(trimethylsilyl)formamido]-1,6-dihydropyrimidin-4-yl}(trimethylsilyl)amino)-3,4-dihydroxyoxolan-2-yl]methyl ditrimethylsilyl phosphate |
| Derivative SMILES: | C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N(C2=C(N(C=O)[Si](C)(C)C)C(=O)NC(N([Si](C)(C)C)[Si](C)(C)C)=N2)[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=LVGWROWOFVVXDL-VBHAUSMQSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_6_44) - 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: | C10H16N5O9P |
| Molecular Weight (Monoisotopic Mass): | 381.0686 Da |
| Derivative Type: | TMS_6_44 |
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 | 4.64 KB |
References