Spectrum Details
FooDB ID:FDB008886
Compound name:Acetolein
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Positive
Splash Key:splash10-03di-0000900000-5fe6ba6b8d4581ee3dcf
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:Positive
Collision Energy:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C25H44O6
Molecular Weight (Monoisotopic Mass):440.3138 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file38 Bytes
Peak assignments (TSV)Download file95 Bytes
mzML formatted file (MZML)Download file4.04 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 ]