Spectrum Details
MiMe ID:MMDBc0000343
Compound Name:2-Isopropylmalic acid
Derivative IUPAC Name:(2S)-2-hydroxy-3-methyl-2-{2-oxo-2-[(trimethylsilyl)oxy]ethyl}butanoic acid
Derivative SMILES:CC(C)[C@@](O)(CC(=O)O[Si](C)(C)C)C(=O)O
Derivative InChIKey:InChIKey=XVVRQJMSMBXPLS-JTQLQIEISA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_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:C7H12O5
Molecular Weight (Monoisotopic Mass):176.0685 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)[C@@](O)(CC(=O)O[Si](C)(C)C)C(=O)O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file745 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available