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Spectrum Details
HMDB ID:HMDB0014894
Compound name:Hexachlorophene
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-001l-9720000000-e35bd296f45503dfe475
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:C13H6Cl6O2
Molecular Weight (Monoisotopic Mass):403.8499 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file194 Bytes
Peak assignments (TSV)Download file474 Bytes
mzML formatted file (MZML)Download file4.26 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 ]