Spectrum Details
T3DB ID:T3D0116
Compound name:1,2,3-Trichlorobenzene
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-004i-1900000000-48bf60762232031dbcdf
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:C6H3Cl3
Molecular Weight (Monoisotopic Mass):179.93 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file88 Bytes
Peak assignments (TSV)Download file168 Bytes
mzML formatted file (MZML)Download file4.12 KB
References
  1. Wang F, Liigand J, Tian S, Arndt D, Greiner R, and Wishart D. CFM-ID 4.0: More Accurate ESI MS/MS Spectral Prediction and Compound Identification. Analytical Chemistry202193 (34), 11692-11700 DOI: 10.1021/acs.analchem.1c01465 [PubMed: 34403256 ]