Hmdb loader
Spectrum Details
HMDB ID:HMDB0042313
Compound name:TG(14:0/16:1(9Z)/20:3(5Z,8Z,11Z))
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0a6r-2092000000-4f7ec8d91bcbf3183038
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:C53H94O6
Molecular Weight (Monoisotopic Mass):826.705 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file754 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-Y6DIRW)Download file754 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.