Spectrum Details
MiMe ID:MMDBc0000368
Compound Name:Orotidine
Derivative IUPAC Name:3-[(2R,3R,4S,5R)-3-hydroxy-4-[(trimethylsilyl)oxy]-5-{[(trimethylsilyl)oxy]methyl}oxolan-2-yl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Derivative SMILES:C[Si](C)(C)OC[C@H]1O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O[Si](C)(C)C
Derivative InChIKey:InChIKey=CFDUQXNFGWAWBQ-FMKGYKFTSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 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:C10H12N2O8
Molecular Weight (Monoisotopic Mass):288.0594 Da
Derivative Type:TMS_2_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC[C@H]1O[C@@H](N2C(C(=O)O)=CC(=O)[NH]C2=O)[C@H](O)[C@@H]1O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file740 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available