Hmdb loader
Spectrum Details
HMDB ID:HMDB0009804
Compound name:PI(16:2(9Z,12Z)/22:3(10Z,13Z,16Z))
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-004i-9030000000-3d2c16e809cd25c46f44
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:C47H81O13P
Molecular Weight (Monoisotopic Mass):884.5415 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file649 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1YE3Y03)Download file649 Bytes
mzML formatted file (MZML)Download file4.49 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.