Spectrum Details
CDB ID:CDB004886
Compound Name:Guanosine diphosphate mannose
Derivative IUPAC Name:{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}[(trimethylsilyl)oxy]phosphoryl)oxy]phosphinic acid
Derivative SMILES:C[Si](C)(C)OP(=O)(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)[C@H](O)[C@@H]1O
Derivative InChIKey:InChIKey=PKKOFYULMFYOHX-QZKWDTJISA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_8) - 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_8
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OP(=O)(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)[C@H](O)[C@@H]1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file753 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available