Hmdb loader
Spectrum Details
HMDB ID:HMDB0009691
Compound name:PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-014i-0003000090-38d0ea4a0fe35d27f340
Notes:This is a predicted spectrum and it should only be used as a guide, further evidence is required to confirm identification.
Spectrum View
Relative Intensity
20406080100
20406080100050100150200250300350400450500550600650700750800
050100150200250300350400450500550600650700750800
m/z
Experimental Conditions
Ionization Mode:Negative
Collision Energy:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C47H82NO8P
Molecular Weight (Monoisotopic Mass):819.5778 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file42 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-JRLP2B)Download file42 Bytes
mzML formatted file (MZML)Download file3.98 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.