Spectrum Details
MiMe ID:MMDBc0053390
Compound name:Itraconazole
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-00di-9040343100-71b0ddcafedcd83a768c
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:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C35H38Cl2N8O4
Molecular Weight (Monoisotopic Mass):704.2393 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file1.53 KB
Peak assignments (TSV)Download file8.64 KB
mzML formatted file (MZML)Download file6.08 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 ]