Hmdb loader
Spectrum Details
HMDB ID:HMDB0284003
Compound name:PE(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/22:2(13Z,16Z))
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-052o-0109030030-3a09d11da5f4088fc2f7
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:C49H82NO9P
Molecular Weight (Monoisotopic Mass):859.5727 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file159 Bytes
Peak assignments (TSV)Download file591 Bytes
mzML formatted file (MZML)Download file4.21 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 ]