Predicted LC-MS/MS Spectrum - 10V, Negative (YMDB00991)

Spectrum Details
YMDB ID:YMDB00991
Compound name:N-acetyl-D-methionine
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-0005-5900000000-1c54110ef2f24b1684c9 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
Relative Intensity
20406080100
20406080100020406080100120140160180200
020406080100120140160180200
m/z
Experimental Conditions
Ionization Mode:Negative
Collision Energy:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C7H13NO3S
Molecular Weight (Monoisotopic Mass):191.0616 Da
Molecular Weight (Avergae Mass):191.248 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
Generated list of m/z values for the spectrumDownload 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.