Spectrum Details
MiMe ID:MMDBc0000340
Compound Name:2-Hydroxy-3-methylpentanoic acid
Derivative IUPAC Name:(2R,3R)-3-methyl-2-[(trimethylsilyl)oxy]pentanoic acid
Derivative SMILES:CC[C@@H](C)[C@@H](O[Si](C)(C)C)C(=O)O
Derivative InChIKey:InChIKey=WQCDEHDSEZGQOK-HTQZYQBOSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_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:C6H12O3
Molecular Weight (Monoisotopic Mass):132.0786 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC[C@@H](C)[C@@H](O[Si](C)(C)C)C(=O)O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available