Spectrum Details
MiMe ID:MMDBc0029786
Compound Name:Inosinic acid
Derivative IUPAC Name:{[(2R,3R,4R,5R)-3-hydroxy-5-[6-oxo-1-(trimethylsilyl)-6,9-dihydro-1H-purin-9-yl]-4-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy}phosphonic acid
Derivative SMILES:C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O
Derivative InChIKey:InChIKey=PWJCFHAUANGYOQ-XNIJJKJLSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 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:TMS_2_5
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC2=C1N=CN([Si](C)(C)C)C2=O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file757 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available