Spectrum Details
ECMDB ID:ECMDB00005
Compound name:2-Ketobutyric acid
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Positive
Splash Key:splash10-0k9i-9400000000-0061f4635858d851f127 View in MoNA
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
Collision Energy:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C4H6O3
Molecular Weight (Monoisotopic Mass):102.0317 Da
Molecular Weight (Avergae Mass):102.0886 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
BMRB NMRstar record bmse000325Download file
mzML formatted fileDownload file
References
  1. Allen F, Greiner R, Wishart D: Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification. Metabolomics. 2015 11(1):98–110. doi: 10.1007/s11306-014-0676-4.