Spectrum Details
MiMe ID:MMDBc0029786
Compound Name:Inosinic acid
Derivative IUPAC Name:{[(2R,3R,4R,5R)-3,4-bis[(tert-butyldimethylsilyl)oxy]-5-(6-oxo-6,9-dihydro-1H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid
Derivative SMILES:CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=JYGBVTSIFFLQHB-WVSUBDOOSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 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_2_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC3=C2N=C[NH]C3=O)[C@@H]1O[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file742 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available