Spectrum Details
FooDB ID:FDB028333
Compound name:p-Cresol sulfate
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-00di-0900000000-f7c1cb2b8c24df5cd33e
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:C7H8O3S
Molecular Weight (Monoisotopic Mass):172.0194 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file105 Bytes
Peak assignments (TSV)Download file233 Bytes
mzML formatted file (MZML)Download file4.14 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 ]