Spectrum Details
BMDB ID:BMDB0062106
Compound name:trans-12-Octadecenoic acid
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0006-9220000000-1c7449a06115fc041374
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:C18H34O2
Molecular Weight (Monoisotopic Mass):282.2559 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file474 Bytes
Peak assignments (TSV)Download file941 Bytes
mzML formatted file (MZML)Download file4.66 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 ]