Hmdb loader
Spectrum Details
HMDB ID:HMDB0245076
Compound name:2-Chlorooctadecanoic acid
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0006-9000000000-21f771b98ea155eaafe2
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:C18H35ClO2
Molecular Weight (Monoisotopic Mass):318.2326 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file112 Bytes
Peak assignments (TSV)Download file223 Bytes
mzML formatted file (MZML)Download file4.14 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 ]