Hmdb loader
Spectrum Details
HMDB ID:HMDB0268176
Compound name:PA(i-20:0/LTE4)
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-03dr-1108930010-a1fe1b37ffbeb71ad778
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:C46H82NO11PS
Molecular Weight (Monoisotopic Mass):887.5346 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file157 Bytes
Peak assignments (TSV)Download file593 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 ]