Spectrum Details
MiMe ID:MMDBc0054489
Compound Name:GDP-alpha-D-glucose
Derivative IUPAC Name:[({[(2R,3S,4R,5R)-5-[2-amino-6-oxo-1-(trimethylsilyl)-6,9-dihydro-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid
Derivative SMILES:C[Si](C)(C)N1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C1=O
Derivative InChIKey:InChIKey=AWAAOLQSVVROLR-AELZALPMSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_10) - 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:C16H25N5O16P2
Molecular Weight (Monoisotopic Mass):605.0772 Da
Derivative Type:TMS_1_10
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)N1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C1=O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file751 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available