Hmdb loader
Spectrum Details
HMDB ID:HMDB0002345
Compound name:Heneicosanoic acid
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-057i-1039000000-18ffc404f0bfd0d60921
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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C21H42O2
Molecular Weight (Monoisotopic Mass):326.3185 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file168 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1QA996K)Download file168 Bytes
mzML formatted file (MZML)Download file4.06 KB
References
  1. Allen F, Greiner R, Wishart D: Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification. Metabolomics. 2015 11(1):98–110. doi: 10.1007/s11306-014-0676-4.