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Spectrum Details
T3DB ID:T3D4292
Compound Name:Orotic acid
Derivative IUPAC Name:2,6-dioxo-3-(trimethylsilyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Derivative SMILES:C[Si](C)(C)N1C(C(=O)O)=CC(=O)[NH]C1=O
Derivative InChIKey:InChIKey=KKSKPFRPCXVZIK-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_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:C5H4N2O4
Molecular Weight (Monoisotopic Mass):156.0171 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)N1C(C(=O)O)=CC(=O)[NH]C1=O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file747 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available