Spectrum Details
MiMe ID:MMDBc0000056
Compound Name:L-Isoleucine
Derivative IUPAC Name:(2S,3S)-2-[(tert-butyldimethylsilyl)amino]-3-methylpentanoic acid
Derivative SMILES:CC[C@H](C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O
Derivative InChIKey:InChIKey=LUEXVXTXNKSNBV-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:C6H13NO2
Molecular Weight (Monoisotopic Mass):131.0946 Da
Derivative Type:TBDMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC[C@H](C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)
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