Spectrum Details
T3DB ID:T3D3516
Compound name:Itraconazole
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-0ufr-2020019400-0234895cdc4dcdafd7ad
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:20 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 file1.7 KB
Peak assignments (TSV)Download file9.8 KB
mzML formatted file (MZML)Download file6.33 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 ]