Predicted GC-MS Spectrum - GC-MS (TMS_3_8) - 70eV, Positive (MMDBc0029772)
Spectrum Details
| MiMe ID: | MMDBc0029772 |
|---|---|
| Compound Name: | 2,5-Diamino-6-hydroxy-4-(5-phosphoribosylamino)pyrimidine |
| Derivative IUPAC Name: | {[(2S,3R,4R)-5-[(5-amino-6-hydroxy-2-imino-2,3-dihydropyrimidin-4-yl)amino]-3,4-bis[(trimethylsilyl)oxy]oxolan-2-yl][(trimethylsilyl)oxy]methyl}phosphonic acid |
| Derivative SMILES: | C[Si](C)(C)OC([C@H]1OC(NC2=C(N)C(O)=NC(=N)N2)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)P(=O)(O)O |
| Derivative InChIKey: | InChIKey=UTEBZEOBMWGKBO-ZYJSHVEQSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_8) - 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: | C9H16N5O8P |
| Molecular Weight (Monoisotopic Mass): | 353.0736 Da |
| Derivative Type: | TMS_3_8 |
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 | 765 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References