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Spectrum Details
HMDB ID:HMDB0060452
Compound name:Chloroacetyl chloride
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-004l-9000000000-ef8cc9e7a1f93e525c68
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:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C2H2Cl2O
Molecular Weight (Monoisotopic Mass):111.9483 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file84 Bytes
Peak assignments (TSV)Download file136 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 ]