Spectrum Details
T3DB ID:T3D2918
Compound name:Diflunisal
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-0002-0090000000-3e0ed3bddcaf7a500b10
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:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C13H8F2O3
Molecular Weight (Monoisotopic Mass):250.0442 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file175 Bytes
Peak assignments (TSV)Download file544 Bytes
mzML formatted file (MZML)Download file4.22 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 ]