Spectrum Details
CDB ID:CDB005088
Compound Name:3-Phosphoglyceric acid
Derivative IUPAC Name:2-[(tert-butyldimethylsilyl)oxy]-3-({[(tert-butyldimethylsilyl)oxy](hydroxy)phosphoryl}oxy)propanoic acid
Derivative SMILES:CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O
Derivative InChIKey:InChIKey=JLYVSELFTSNLOQ-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_2_2) - 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:C3H7O7P
Molecular Weight (Monoisotopic Mass):185.9929 Da
Derivative Type:TBDMS_2_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file744 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available