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Spectrum Details
HMDB ID:HMDB0015269
Compound name:Sulfinpyrazone
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-004l-8910000000-8627304c89a73101a237
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:C23H20N2O3S
Molecular Weight (Monoisotopic Mass):404.1195 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file332 Bytes
Peak assignments (TSV)Download file697 Bytes
mzML formatted file (MZML)Download file4.45 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 ]