Predicted GC-MS Spectrum - GC-MS (TMS_4_63) - 70eV, Positive (MMDBc0030024)
Spectrum Details
| MiMe ID: | MMDBc0030024 |
|---|---|
| Compound Name: | 5-Amino-6-(5'-phosphoribosylamino)uracil |
| Derivative IUPAC Name: | {[(2R,3S,4R,5R)-5-({5-[bis(trimethylsilyl)amino]-2,6-dioxo-3-(trimethylsilyl)-1,2,3,6-tetrahydropyrimidin-4-yl}(trimethylsilyl)amino)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid |
| Derivative SMILES: | C[Si](C)(C)N(C1=C(N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(=O)N1[Si](C)(C)C)[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O |
| Derivative InChIKey: | InChIKey=FLGBYGFCFCVOTN-WVSUBDOOSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_63) - 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: | C9H15N4O9P |
| Molecular Weight (Monoisotopic Mass): | 354.0577 Da |
| Derivative Type: | TMS_4_63 |
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 | 769 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References