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This module introduces the principles and fundamental concepts of mass spectral interpretation.

At the end of this section you will be able to list and explain the main characteristics of the mass spectrum as well as explain how mass spectrometric data can be used for structure analysis. You will also be able to describe ESI/APCI parameters and know why it is important to optimize them.  


Topics include: 

  • Mass-to-charge ratio
  • Mass resolution
  • High mass resolution
  • Mass accuracy
  • High mass accuracy
  • Mass range
  • Multiply charged ions
  • Spectral features
  • Isotopic abundances
  • High mass region - brominated sample
  • High mass region - chlorinated sample
  • High mass region - dichlorinated sample
  • The nitrogen and hydrogen rules
  • Interpretation strategy
  • Fragmentation in API
  • Rings and unsaturations
  • Number of carbons
  • Postulating a molecular formula
  • Cleavages - ion abundance
  • Cleavages - simple mechanisms
  • Electrospray ionization
  • ESI considerations
  • APCI considerations
  • APPI considerations
  • LC-MS structural information modes
  • MS/MS overview
  • MS/MS experiments
  • Product ion scanning - overview
  • Product ion scanning - application
  • Precursor ion scanning - overview
  • Precursor ion scanning - application
  • Constant neutral loss scanning - overview
  • Constant neutral loss scanning - application
  • Single/multiple reaction monitoring - overview
  • Single/multiple reaction monitoring - application
  • MS/MS quantitative considerations