Spectrum Details
MiMe ID:MMDBc0033730
Compound Name:Xanthurenic acid
Derivative IUPAC Name:trimethylsilyl 8-hydroxy-4-[(trimethylsilyl)oxy]quinoline-2-carboxylate
Derivative SMILES:C[Si](C)(C)OC(=O)C1=CC(O[Si](C)(C)C)=C2C=CC=C(O)C2=N1
Derivative InChIKey:InChIKey=JSEYNZUZEGHSGY-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_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:C10H7NO4
Molecular Weight (Monoisotopic Mass):205.0375 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)C1=CC(O[Si](C)(C)C)=C2C=CC=C(O)C2=N1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file747 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available