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Spectrum Details
HMDB ID:HMDB0000112
Compound name:gamma-Aminobutyric acid
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-00ku-9000000000-4a334d5e272576f62403 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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C4H9NO2
Molecular Weight (Monoisotopic Mass):103.0633 Da
Molecular Weight (Avergae Mass):103.1198 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
BMRB NMRstar record bmse000340Download file
BMRB NMRstar record bmse000820Download file
BMRB NMRstar record bmse000871Download 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.