Spectrum Details
MiMe ID:MMDBc0056295
Compound Name:S-(4-hydroxy-3-methylbutan-2-yl)-L-cysteine
Derivative IUPAC Name:trimethylsilyl (2R)-2-amino-3-({3-methyl-4-[(trimethylsilyl)oxy]butan-2-yl}sulfanyl)propanoate
Derivative SMILES:CC(CO[Si](C)(C)C)C(C)SC[C@H](N)C(=O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=ZFOTVQUWDXIJCB-BPCQOVAHSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 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:C8H17NO3S
Molecular Weight (Monoisotopic Mass):207.0929 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file767 Bytes
mzML formatted file (MZML)Download file4.63 KB
References