Spectrum Details
MiMe ID:MMDBc0000350
Compound Name:Aspartylglycosamine
Derivative IUPAC Name:(2S)-2-amino-3-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl](trimethylsilyl)carbamoyl}propanoic acid
Derivative SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[Si](C)(C)C
Derivative InChIKey:InChIKey=JUJHJASZVQZOQU-XXXNSXPYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_15) - 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:C12H21N3O8
Molecular Weight (Monoisotopic Mass):335.1329 Da
Derivative Type:TMS_2_15
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@H]1N(C(=O)C[C@H](N)C(=O)O)[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