Hmdb loader
Spectrum Details
HMDB ID:HMDB0301629
Compound name:7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]heptanoyl-CoA
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-00du-9400000116-e9f3a5b00c4679d87bda
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:Positive
Collision Energy:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C41H72N7O20P3S
Molecular Weight (Monoisotopic Mass):1107.3766 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file1.57 KB
Peak assignments (TSV)Download file12.1 KB
mzML formatted file (MZML)Download file6.09 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 ]