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Spectrum Details
HMDB ID:HMDB0009636
Compound name:PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-0006-0003000090-b95f264ea86f84adb29d
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:C49H80NO8P
Molecular Weight (Monoisotopic Mass):841.5622 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file44 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1GEJ2C6)Download file44 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.