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Spectrum Details
HMDB ID:HMDB0000043
Compound name:Betaine
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-014i-3900000000-b2afc99d27edd18d7f29 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:C5H11NO2
Molecular Weight (Monoisotopic Mass):117.079 Da
Molecular Weight (Avergae Mass):117.1463 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
BMRB NMRstar record bmse000069Download file
BMRB NMRstar record bmse000948Download 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.