Spectrum Details
YMDB ID:YMDB00733
Compound name:3-oxodocosanoyl-CoA
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-00pi-9201301300-3de85a9cca17abf032e2 View in MoNA
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:C43H76N7O18P3S
Molecular Weight (Monoisotopic Mass):1103.418 Da
Molecular Weight (Avergae Mass):1104.086 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrumDownload file
Peak assignmentsDownload file
mzML formatted fileDownload file
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 ]