Spectrum Details
T3DB ID:T3D3035
Compound name:Posaconazole
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-0002-1000009000-66936b5686a8d36e2942
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:C37H42F2N8O4
Molecular Weight (Monoisotopic Mass):700.3297 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file1 KB
Peak assignments (TSV)Download file6.64 KB
mzML formatted file (MZML)Download file5.36 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 ]