Spectrum Details
FooDB ID:FDB031313
Compound name:4-hydroxybenzoic acid 4-O-sulphate
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-0uxr-0390000000-a7c5464a902a4f729940
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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C7H6O6S
Molecular Weight (Monoisotopic Mass):217.9885 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file283 Bytes
Peak assignments (TSV)Download file744 Bytes
mzML formatted file (MZML)Download file4.37 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 ]