Spectrum Details
MiMe ID:MMDBc0029625
Compound Name:GDP-4-Dehydro-6-deoxy-D-mannose
Derivative IUPAC Name:{[(2R,3R,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxy-4-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy}[({[(2R,3S,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]oxy}[(trimethylsilyl)oxy]phosphoryl)oxy]phosphinic acid
Derivative SMILES:C[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C3N=C(N)[NH]C4=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)C1=O
Derivative InChIKey:InChIKey=ZBCHYBCDUATPGA-FIJNHPRVSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 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:C16H23N5O15P2
Molecular Weight (Monoisotopic Mass):587.0666 Da
Derivative Type:TMS_2_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C3N=C(N)[NH]C4=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)C1=O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file760 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available