Spectrum Details
MiMe ID:MMDBc0029720
Compound Name:DIDP
Derivative IUPAC Name:[({[(2R,3S,5R)-5-[3-(tert-butyldimethylsilyl)-6-oxo-6,9-dihydro-3H-purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Derivative SMILES:CC(C)(C)[Si](C)(C)N1C=NC(=O)C2=C1N([C@H]1C[C@H](O)[C@@H](CO[P@](=O)(O)OP(=O)(O)O)O1)C=N2
Derivative InChIKey:InChIKey=HAZBUGUOICSKBY-QJPTWQEYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_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:C10H14N4O10P2
Molecular Weight (Monoisotopic Mass):412.0185 Da
Derivative Type:TBDMS_1_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)N1C=NC(=O)C2=C1N([C@H]1C[C@H](O)[C@@H](CO[P@](=O)(O)OP(=O)(O)O)O1)C=N2)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file754 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available