Spectrum Details
FooDB ID:FDB029730
Compound name:butyl octanoate
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-052b-1900000000-76070688ce2993562aac
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:C12H24O2
Molecular Weight (Monoisotopic Mass):200.1776 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file205 Bytes
Peak assignments (TSV)Download file386 Bytes
mzML formatted file (MZML)Download file4.29 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 ]