Spectrum Details
ECMDB ID:ECMDB00042
Compound name:Acetic acid
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0a4i-9000000000-64f8448a12a6d78d84e4 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:Negative
Collision Energy:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C2H4O2
Molecular Weight (Monoisotopic Mass):60.0211 Da
Molecular Weight (Avergae Mass):60.052 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
BMRB NMRstar record bmse000191Download file
BMRB NMRstar record bmse000817Download file
BMRB NMRstar record bmse000857Download 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.