Spectrum Details
MiMe ID:MMDBc0000536
Compound Name:Kynurenic acid
Derivative IUPAC Name:tert-butyldimethylsilyl 4-oxo-1,4-dihydroquinoline-2-carboxylate
Derivative SMILES:CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)C2=CC=CC=C2[NH]1
Derivative InChIKey:InChIKey=UJTICQXMXUIQAV-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_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:C10H7NO3
Molecular Weight (Monoisotopic Mass):189.0426 Da
Derivative Type:TBDMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC(=O)C1=CC(=O)C2=CC=CC=C2[NH]1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file648 Bytes
mzML formatted file (MZML)Download file4.58 KB
References
Not Available