Spectrum Details
CDB ID:CDB004878
Compound Name:gamma-Glutamylcysteine
Derivative IUPAC Name:trimethylsilyl (2S)-2-amino-4-{[(2R)-1-oxo-3-sulfanyl-1-[(trimethylsilyl)oxy]propan-2-yl]carbamoyl}butanoate
Derivative SMILES:C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive
Splash Key:splash10-00b9-8494000000-88b1eea1e1badaee084b
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:C14H30N2O5SSi2
Molecular Weight (Monoisotopic Mass):394.141 Da
Derivative Type:2 TMS
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)N[C@@H](CS)C(=O)O[Si](C)(C)C)
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
Generated list of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.68 KB
  1. Allen F, Pon A, Greiner R, Wishart D: Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification. Anal Chem. 2016 Aug 2;88(15):7689-97. doi: 10.1021/acs.analchem.6b01622. Epub 2016 Jul 21. [PubMed: 27381172 ]