Spectrum Details
MiMe ID:MMDBc0030063
Compound Name:gamma-Glutamyl-beta-cyanoalanine
Derivative IUPAC Name:2-[bis(trimethylsilyl)amino]-4-({3-cyano-1-oxo-1-[(trimethylsilyl)oxy]propan-2-yl}-C-hydroxycarbonimidoyl)butanoic acid
Derivative SMILES:C[Si](C)(C)OC(=O)C(CC#N)N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C
Derivative InChIKey:InChIKey=UEKKELLFAIPFNK-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_6) - 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:C9H13N3O5
Molecular Weight (Monoisotopic Mass):243.0855 Da
Derivative Type:TMS_3_6
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file770 Bytes
mzML formatted file (MZML)Download file4.63 KB
References