Spectrum Details
CDB ID:CDB004836
Compound Name:Phosphoribosyl pyrophosphate
Derivative IUPAC Name:[({[(2R,3R,4R,5R)-4-hydroxy-5-[(phosphonooxy)methyl]-3-[(trimethylsilyl)oxy]oxolan-2-yl]oxy}[(trimethylsilyl)oxy]phosphoryl)oxy]phosphonic acid
Derivative SMILES:C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H](COP(=O)(O)O)[C@H]1O
Derivative InChIKey:InChIKey=DVPVLDRNTBNJMW-JCKIUGGCSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 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:C5H13O14P3
Molecular Weight (Monoisotopic Mass):389.9518 Da
Derivative Type:TMS_2_5
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)O)O[C@H](COP(=O)(O)O)[C@H]1O)
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
mzML formatted fileDownload file
References
Not Available