Hmdb loader
Spectrum Details
HMDB ID:HMDB0275877
Compound name:PGP(18:1(12Z)-2OH(9,10)/i-22:0)
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0f9j-5093353101-a2ddfad157c0e4f48c42
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:C46H90O15P2
Molecular Weight (Monoisotopic Mass):944.5755 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file1.04 KB
Peak assignments (TSV)Download file4.99 KB
mzML formatted file (MZML)Download file5.44 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 ]