Spectrum Details
CDB ID:CDB004801
Compound Name:Deoxyadenosine
Derivative IUPAC Name:[(2R,3S,5R)-5-{6-[(tert-butyldimethylsilyl)amino]-9H-purin-9-yl}-3-[(tert-butyldimethylsilyl)oxy]oxolan-2-yl]methanol
Derivative SMILES:CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O1
Derivative InChIKey:InChIKey=KOTHBBATBHLWBI-GVDBMIGSSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_2_2) - 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:C10H13N5O3
Molecular Weight (Monoisotopic Mass):251.1018 Da
Derivative Type:TBDMS_2_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file745 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available