Spectrum Details
MiMe ID:MMDBc0030103
Compound Name:UDP-N-Acetyl-D-mannosamine
Derivative IUPAC Name:[({[(2S,3R,4S,5S)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(3R,4S,5R,6S)-3-acetamido-4-hydroxy-5-[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl]oxy})phosphinic acid
Derivative SMILES:CC(=O)N[C@H]1C(OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](N3C=CC(=O)[NH]C3=O)[C@@H](O)[C@H]2O)O[C@@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O
Derivative InChIKey:InChIKey=CXHVIOCSJFMBJP-QPZLSMKCSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_11) - 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_2_11
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(=O)N[C@H]1C(OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](N3C=CC(=O)[NH]C3=O)[C@@H](O)[C@H]2O)O[C@@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file755 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available