Spectrum Details
MiMe ID:MMDBc0010880
Compound Name:Urocanic acid
Derivative IUPAC Name:(2E)-3-[1-(trimethylsilyl)-1H-imidazol-4-yl]prop-2-enoic acid
Derivative SMILES:C[Si](C)(C)N1C=NC(/C=C/C(=O)O)=C1
Derivative InChIKey:InChIKey=HNIDQZKFLKAXPN-SNAWJCMRSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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:C6H6N2O2
Molecular Weight (Monoisotopic Mass):138.0429 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)N1C=NC(/C=C/C(=O)O)=C1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file732 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available