Spectrum Details
MiMe ID:MMDBc0000071
Compound Name:N-Acetylgalactosamine
Derivative IUPAC Name:N-[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2,4-bis[(trimethylsilyl)oxy]oxan-3-yl]acetamide
Derivative SMILES:CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C
Derivative InChIKey:InChIKey=ZKUWINTXCLRWDF-RKQHYHRCSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 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:C8H15NO6
Molecular Weight (Monoisotopic Mass):221.0899 Da
Derivative Type:TMS_2_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(=O)N[C@H]1[C@@H](O[Si](C)(C)C)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 file747 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available