Spectrum Details
T3DB ID:T3D2875
Compound name:Riluzole
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-0a4r-0490000000-ab117c07a1f16bb2d5f8
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:C8H5F3N2OS
Molecular Weight (Monoisotopic Mass):234.0075 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file584 Bytes
Peak assignments (TSV)Download file1.57 KB
mzML formatted file (MZML)Download file4.78 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 ]