Spectrum Details
MiMe ID:MMDBc0000332
Compound Name:Cysteinylglycine
Derivative IUPAC Name:2-[(2R)-2-amino-N-(tert-butyldimethylsilyl)-3-sulfanylpropanamido]acetic acid
Derivative SMILES:CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@@H](N)CS
Derivative InChIKey:InChIKey=KJYBORBNYWARBJ-QMMMGPOBSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_4) - 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:C5H10N2O3S
Molecular Weight (Monoisotopic Mass):178.0412 Da
Derivative Type:TBDMS_1_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@@H](N)CS)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file750 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available