Spectrum Details
MiMe ID:MMDBc0029720
Compound Name:DIDP
Derivative IUPAC Name:{[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}[(trimethylsilyl)oxy]phosphinic acid
Derivative SMILES:C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O
Derivative InChIKey:InChIKey=MGWWDRKHOXPMJU-IVZWLZJFSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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:C10H14N4O10P2
Molecular Weight (Monoisotopic Mass):412.0185 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OP(=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2[NH]C=NC3=O)C[C@@H]1O)
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