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Spectrum Details
HMDB ID:HMDB0288580
Compound name:PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9,11,15)-OH(13))
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-004l-0099000090-d3927e0a1ce4bcdcc4c2
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:C48H78NO9P
Molecular Weight (Monoisotopic Mass):843.5414 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file67 Bytes
Peak assignments (TSV)Download file244 Bytes
mzML formatted file (MZML)Download file4.08 KB
References
  1. Wang F, Liigand J, Tian S, Arndt D, Greiner R, and Wishart D. CFM-ID 4.0: More Accurate ESI MS/MS Spectral Prediction and Compound Identification. Analytical Chemistry202193 (34), 11692-11700 DOI: 10.1021/acs.analchem.1c01465 [PubMed: 34403256 ]