Spectrum Details
T3DB ID:T3D0576
Compound name:2,2',3,4',5,5',6-Heptachlorobiphenyl
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-0006-0009000000-fbc44457b0cf102a6f48
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:C12H3Cl7
Molecular Weight (Monoisotopic Mass):391.8054 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file73 Bytes
Peak assignments (TSV)Download file223 Bytes
mzML formatted file (MZML)Download file4.1 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 ]