Spectrum Details
BMDB ID:BMDB0063536
Compound name:TG(18:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-0f89-0094001000-37faea5a882e1c6d5834
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:C59H102O6
Molecular Weight (Monoisotopic Mass):906.7676 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file681 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-OD6WY4)Download file681 Bytes
mzML formatted file (MZML)Download file4.51 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.