Hmdb loader
Spectrum Details
HMDB ID:HMDB0304862
Compound name:Berotralstat
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-03di-2011970000-8dd8e2a6763672069bb8
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:C30H26F4N6O
Molecular Weight (Monoisotopic Mass):562.2104 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file1.38 KB
Peak assignments (TSV)Download file7.74 KB
mzML formatted file (MZML)Download file5.86 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 ]