Spectrum Details
CDB ID:CDB005033
Compound Name:UDP-D-galacturonic acid
Derivative IUPAC Name:(2S,3R,4S,5R,6R)-6-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxy-3-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy}[(trimethylsilyl)oxy]phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Derivative SMILES:C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O
Derivative InChIKey:InChIKey=BDMQNHKLUSFVRO-OCCJXHLBSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_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:C15H22N2O18P2
Molecular Weight (Monoisotopic Mass):580.0343 Da
Derivative Type:TMS_2_6
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(=O)[NH]C2=O)[C@@H]1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file755 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available