Spectrum Details
MiMe ID:MMDBc0054570
Compound Name:N-(4-oxoglutaryl)-L-cysteinylglycine
Derivative IUPAC Name:4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(trimethylsilyl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}-2-oxobutanoic acid
Derivative SMILES:C[Si](C)(C)SC[C@H](N=C(O)CCC(=O)C(=O)O)C(O)=NCC(=O)O
Derivative InChIKey:InChIKey=ZTFQNPYTYXXMGI-QMMMGPOBSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 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:C10H14N2O7S
Molecular Weight (Monoisotopic Mass):306.0522 Da
Derivative Type:TMS_1_5
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file774 Bytes
mzML formatted file (MZML)Download file4.63 KB
References