Spectrum Details
FooDB ID:FDB019140
Compound name:Pentosan polysulfate
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-000t-9110110000-3fe9c34f531be0d82037
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:C10H18O21S4
Molecular Weight (Monoisotopic Mass):601.9223 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file868 Bytes
Peak assignments (TSV)Download file3.53 KB
mzML formatted file (MZML)Download file5.19 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 ]