Spectrum Details
BMDB ID:BMDB0063692
Compound name:TG(18:1(11Z)/18:1(11Z)/o-18:0)
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-01q9-0091011000-ed1c3bde2a384c9423d4
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:C57H108O5
Molecular Weight (Monoisotopic Mass):872.8197 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-20190109-20465-1PUZO1P)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.