Spectrum Details
MiMe ID:MMDBc0000826
Compound Name:1-Methyl-beta-carboline-3-carboxylic acid
Derivative IUPAC Name:trimethylsilyl 1-methyl-9-(trimethylsilyl)-9H-pyrido[3,4-b]indole-3-carboxylate
Derivative SMILES:CC1=NC(C(=O)O[Si](C)(C)C)=CC2=C1N([Si](C)(C)C)C1=CC=CC=C21
Derivative InChIKey:InChIKey=OPEOUAZOAVICSF-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:C13H10N2O2
Molecular Weight (Monoisotopic Mass):226.0742 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file765 Bytes
mzML formatted file (MZML)Download file4.63 KB
References