Spectrum Details
MiMe ID:MMDBc0053815
Compound name:trans-2-Octenal
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-014i-9000000000-c98640662ef2723a50b6
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:C8H14O
Molecular Weight (Monoisotopic Mass):126.1045 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file218 Bytes
Peak assignments (TSV)Download file356 Bytes
mzML formatted file (MZML)Download file4.3 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 ]