Spectrum Details
MiMe ID:MMDBc0000495
Compound Name:L-Cystathionine
Derivative IUPAC Name:(2R)-2-amino-3-{[(3S)-3-amino-4-[(tert-butyldimethylsilyl)oxy]-4-oxobutyl]sulfanyl}propanoic acid
Derivative SMILES:CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCSC[C@H](N)C(=O)O
Derivative InChIKey:InChIKey=IJJQZGYPEVDQQK-UWVGGRQHSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 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:C7H14N2O4S
Molecular Weight (Monoisotopic Mass):222.0674 Da
Derivative Type:TBDMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCSC[C@H](N)C(=O)O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file748 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available