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LC-MS Spectral Interpretation Level 1


1 Day

This training covers the first two stages in the interpretation of LC-MS data

These are picking out compounds of interest in the chromatogram and working with the molecular ion.

This one day course covers the interpretation of qualitative data generated by a typical LC-MS. We explore techniques that optimise the visualisation of compounds within a complex chromatogram and work with the molecular ion. The majority of the material can be applied to simple, single-stage mass spectrometers.

We use workshops to build your confidence in working with LC-MS data, highlighting common mistakes and teaching you practical skills that minimise misinterpretation and maximise compound information.

Video Overview


Video Walk-through

  • Using multiple approaches to visualise compounds of interest within a complex chromatogram
  • Identification and confirmation of the molecular ion
  • Extracting additional information from the molecular ion

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. At this level we cover:

Highlighting compounds of interest within 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

This training is suitable for anyone wishing to develop their understanding and gain confidence in the interpretation of data generated by a typical LC-MS system

Those wishing to attend this course should be experienced in LC-MS methodology and data acquisition. Ideally, they should have already attended our LC-MS training course.

LC-MS Training

Interpretation of LC-MS Data - Level 2

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