Spectrum Details
T3DB ID:T3D0160
Compound name:1,1-Dichloroethane
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-0002-9000000000-d01080a77ddd6b4d7fc9
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:C2H4Cl2
Molecular Weight (Monoisotopic Mass):97.969 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file53 Bytes
Peak assignments (TSV)Download file80 Bytes
mzML formatted file (MZML)Download file4.09 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 ]