Spectrum Details
BMDB ID:BMDB0063339
Compound name:TG(15:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-056u-2094000000-8a6300b045f68b1b4a29
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:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C58H96O6
Molecular Weight (Monoisotopic Mass):888.7207 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file752 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-YPPGU0)Download file752 Bytes
mzML formatted file (MZML)Download file4.58 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.