Spectrum Details
BMDB ID:BMDB0063446
Compound name:TG(16:1(9Z)/16:1(9Z)/22:1(13Z))[iso3]
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-0f79-0097001000-bb9ef20c57a71b139ff1
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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C57H104O6
Molecular Weight (Monoisotopic Mass):884.7833 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file629 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1T6BTRH)Download file629 Bytes
mzML formatted file (MZML)Download file4.47 KB
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.