Predicted LC-MS/MS Spectrum - 20V, Negative (YMDB01098)

Spectrum Details
YMDB ID:YMDB01098
Compound name:(2S,3S,4R)-2-aminohexadecane-1,3,4-triol
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-0bvl-9160000000-73beadfd396db08f2967 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
20406080100020406080100120140160180200220240260280
020406080100120140160180200220240260280
m/z
Experimental Conditions
Ionization Mode:Negative
Collision Energy:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C16H35NO3
Molecular Weight (Monoisotopic Mass):289.2617 Da
Molecular Weight (Avergae Mass):289.454 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.