Hmdb loader
Spectrum Details
HMDB ID:HMDB0304718
Compound name:Pelargonidin 3-O-glucoside
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-0udi-0000900000-f06521fa4057fc1d6ca8
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:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C28H22O6
Molecular Weight (Monoisotopic Mass):454.1416 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file345 Bytes
Peak assignments (TSV)Download file1.73 KB
mzML formatted file (MZML)Download file4.42 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 ]