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Spectrum Details
T3DB ID:T3D0086
Compound name:2,4,6-Trichlorophenol
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0006-0900000000-76a627188a6f4ea8be5f
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:C6H3Cl3O
Molecular Weight (Monoisotopic Mass):195.9249 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file192 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1YLS8U9)Download file192 Bytes
mzML formatted file (MZML)Download file4.1 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.