Hmdb loader
Spectrum Details
HMDB ID:HMDB0008581
Compound name:PC(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-001i-1900040130-bb17cccea68100c0b601
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:Positive
Collision Energy:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C52H92NO8P
Molecular Weight (Monoisotopic Mass):889.6561 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file177 Bytes
List of m/z values for the spectrum (TXT)Download file177 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-17FJ58G)Download file177 Bytes
mzML formatted file (MZML)Download file4.18 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.