Spectrum Details
CDB ID:CDB000212
Compound name:(E)-Calamene
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-052f-0900000000-c435c46e2d5fabf5807c
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:C15H22
Molecular Weight (Monoisotopic Mass):202.1722 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file1.02 KB
Peak assignments (TSV)Download file2.79 KB
mzML formatted file (MZML)Download file5.39 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 ]