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Interpretation of LC-MS Data - New Course

2 x 1 Day Courses

This is taught online as two separate one days courses: level 1 and level 2. They provide a greater understanding of how to interpret the mass spectra on any instrument. Attendees will gain a solid grounding in this aspect of LC-MS analysis and be able to apply their knowledge practically in the lab. 

  1. Level 1 - Chromatographic determination and molecular ion
  2. Level 2 - Fragmentation and Structural Determination


  • FormatThese are online courses, delivered live, and led by one of our trainers
  • Duration - Each course consists of 2 x 4-hour session delivered over 2 consecutive days (total of 8 hours per course)
  • We limit numbers to 8 per course so that each delegate gets the opportunity to ask questions and fully participate in tutorial exercises 

 Course Overview | Download course details »

Level 1 

Here we explore acquisition and interpretation techniques that maximise the information you can obtain from even simple single stage (e.g single quadrupole) mass spectrometers. In this level we cover :

Highlighting peaks of interest from the chromatogram

  • Using collision-induced dissociation effectively
  • Comparison of CID and MS/MS spectra
  • Using precursor ion scanning, constant neutral loss scanning and data-dependent experiments in tandem instruments
  • Improving the quality of data generated in TIC
  • Use anticipated mass differences (e.g. metabolic transformations) to highlight low concentration compounds of interest
  • Using contour maps
  • Using extracted mass effectively

Identification and confirmation of the molecular ion

  • Background signals
  • Multiple charging
  • Adducts
  • Influence of fragments of molecular ion confirmation

Building on the molecular ion

  • Isotopes
  • Rings and double bond equivalents
  • Optimising empirical formula information
  • Mass delta


Level 2 

Here we explore the techniques used when working with fragments and applying these to structural determination

Revision of bonding theory

  • Covalent bonds
  • Lone pairs
  • Bond location references

Ion formation

  • Functional groups
  • Charge site initiation
  • Charge site stabilisation

Common fragmentation pathways

  • Charge migration mechanisms
  • Charge retention mechanisms

Using fragmentation for structural determination

All sections are extensively supported by workshops to illustrate and practice the techniques being learned.

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