Spectrum Details
T3DB ID:T3D1998
Compound name:2,2',3,4,6-Pentabromobiphenyl
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Positive
Splash Key:splash10-0006-0000090000-9d93b741a47b6050cd9c
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:Positive
Collision Energy:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C12H5Br5
Molecular Weight (Monoisotopic Mass):543.6308 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file496 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-F2K4WZ)Download file496 Bytes
mzML formatted file (MZML)Download file4.36 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.