Predicted GC-MS Spectrum - GC-MS (TMS_5_11) - 70eV, Positive (MMDBc0031930)
Spectrum Details
| MiMe ID: | MMDBc0031930 |
|---|---|
| Compound Name: | alpha-D-Ribose 1-methylphosphonate 5-triphosphate |
| Derivative IUPAC Name: | {[({bis[(trimethylsilyl)oxy]phosphoryl}oxy)[(trimethylsilyl)oxy]phosphoryl]oxy}({[(2R,3S,4R,5R)-4-hydroxy-5-({methyl[(trimethylsilyl)oxy]phosphoryl}oxy)-3-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy})phosphinic acid |
| Derivative SMILES: | C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H](OP(C)(=O)O[Si](C)(C)C)[C@@H]1O |
| Derivative InChIKey: | InChIKey=ZSBVLZVZSLORFQ-CCWCRYENSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_5_11) - 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: | C6H16O16P4 |
| Molecular Weight (Monoisotopic Mass): | 467.9389 Da |
| Derivative Type: | TMS_5_11 |
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 | 777 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References