Spectrum Details
FooDB ID:FDB005915
Compound name:4-Octanone
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0aou-9000000000-f9f967b1c6e35b88de65
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:C8H16O
Molecular Weight (Monoisotopic Mass):128.1201 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file402 Bytes
Peak assignments (TSV)Download file716 Bytes
mzML formatted file (MZML)Download file4.55 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 ]