Spectrum Details
FooDB ID:FDB007150
Compound name:trans-Octen-2-al
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-0a4u-9000000000-e5cfc9266181c46c983e
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:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C8H14O
Molecular Weight (Monoisotopic Mass):126.1045 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file188 Bytes
Peak assignments (TSV)Download file322 Bytes
mzML formatted file (MZML)Download file4.26 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 ]