Spectrum Details
FooDB ID:FDB012844
Compound name:Benzyl benzoate
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-0bt9-4970000000-0f6a4e5911bddfc1a750
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:C14H12O2
Molecular Weight (Monoisotopic Mass):212.0837 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file232 Bytes
Peak assignments (TSV)Download file565 Bytes
mzML formatted file (MZML)Download file4.31 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 ]