Spectrum Details
T3DB ID:T3D2844
Compound name:Astemizole
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-0a4i-0200900000-3d85252f27ae2ba0258e
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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C28H31FN4O
Molecular Weight (Monoisotopic Mass):458.2482 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file430 Bytes
Peak assignments (TSV)Download file1.79 KB
mzML formatted file (MZML)Download file4.58 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 ]