Hmdb loader
Spectrum Details
HMDB ID:HMDB0243587
Compound name:(2S,4S)-Ketoconazole
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-004i-0010390000-0eb582e7b11176ec640c
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:C26H28Cl2N4O4
Molecular Weight (Monoisotopic Mass):530.1488 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file805 Bytes
Peak assignments (TSV)Download file3.5 KB
mzML formatted file (MZML)Download file5.05 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 ]