Spectrum Details
FooDB ID:FDB014796
Compound name:2-Isopropyl-5-methylphenol acetate
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0a5c-9700000000-459c311f58544a53d607
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:C12H16O2
Molecular Weight (Monoisotopic Mass):192.115 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file493 Bytes
Peak assignments (TSV)Download file1.05 KB
mzML formatted file (MZML)Download file4.66 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 ]