Spectrum Details
CDB ID:CDB004814
Compound Name:Inosinic acid
Derivative IUPAC Name:{[(2R,3S,4R,5R)-5-[1-(tert-butyldimethylsilyl)-6-oxo-6,9-dihydro-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Derivative SMILES:CC(C)(C)[Si](C)(C)N1C=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C1=O
Derivative InChIKey:InChIKey=OUUAOUDEGZXSJK-SDBHATRESA-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:C10H13N4O8P
Molecular Weight (Monoisotopic Mass):348.0471 Da
Derivative Type:TBDMS_1_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)N1C=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C1=O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file756 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available