Spectrum Details
BMDB ID:BMDB0063541
Compound name:TG(18:0/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))[iso6]
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-017i-0090011020-c37ff3584907b87d0d89
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:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C57H98O6
Molecular Weight (Monoisotopic Mass):878.7363 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file308 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1RDOQZS)Download file308 Bytes
mzML formatted file (MZML)Download file4.2 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.