Spectrum Details
FooDB ID:FDB029749
Compound name:(E)-3-oxo-beta-ionone
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-08g0-0940000000-414774f73af7bf5d14c3
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:C13H18O2
Molecular Weight (Monoisotopic Mass):206.1307 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file621 Bytes
Peak assignments (TSV)Download file1.58 KB
mzML formatted file (MZML)Download file4.82 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 ]