Spectrum Details
MiMe ID:MMDBc0054689
Compound Name:UDP-N-acetyl-alpha-D-galactosamine
Derivative IUPAC Name:{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[N-(trimethylsilyl)acetamido]oxan-2-yl]oxy}[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid
Derivative SMILES:CC(=O)N([C@H]1[C@@H](O[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O)[Si](C)(C)C
Derivative InChIKey:InChIKey=GQAZROTVENFSLQ-PTTGLZLXSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_8) - 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:C17H27N3O17P2
Molecular Weight (Monoisotopic Mass):607.0816 Da
Derivative Type:TMS_1_8
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(=O)N([C@H]1[C@@H](O[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O)[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file752 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available