Spectrum Details
CDB ID:CDB006327
Compound Name:L-Kynurenine
Derivative IUPAC Name:tert-butyldimethylsilyl (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoate
Derivative SMILES:CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC(=O)C1=CC=CC=C1N
Derivative InChIKey:InChIKey=WQCSIZIZOFPWHT-ZDUSSCGKSA-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:C10H12N2O3
Molecular Weight (Monoisotopic Mass):208.0848 Da
Derivative Type:TBDMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC(=O)C1=CC=CC=C1N)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file751 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available