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Spectrum Details
HMDB ID:HMDB0015537
Compound name:Probucol
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-00e9-0001900000-fd2b811cb419d25d47f7
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:C31H48O2S2
Molecular Weight (Monoisotopic Mass):516.3096 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file260 Bytes
Peak assignments (TSV)Download file1.26 KB
mzML formatted file (MZML)Download file4.34 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 ]