Spectrum Details
FooDB ID:FDB001425
Compound name:Parasorbic acid
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-0cdl-9300000000-7ad22dfef27898aac15c
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:C6H8O2
Molecular Weight (Monoisotopic Mass):112.0524 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file330 Bytes
Peak assignments (TSV)Download file627 Bytes
mzML formatted file (MZML)Download file4.46 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 ]