Spectrum Details
FooDB ID:FDB028851
Compound Name:CMP-N-glycoloylneuraminate
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O1
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 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:C20H31N4O17P
Molecular Weight (Monoisotopic Mass):630.1422 Da
Derivative Type:TMS_1_6
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)[C@]1(O)C[C@H](O)C(NC(=O)CO)[C@H]([C@@H](O)[C@@H](O)COP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file753 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available