Spectrum Details
FooDB ID:FDB000251
Compound name:4-Sinapoylquinic acid
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0596-9786000000-b960c654ffa54a5b8dda
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:C18H22O10
Molecular Weight (Monoisotopic Mass):398.1213 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file779 Bytes
Peak assignments (TSV)Download file2.3 KB
mzML formatted file (MZML)Download file5.04 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 ]