Intro to NTA: Video Tutorials

Jeremy P Koelmel, PhD
Jeremy P Koelmel, PhDMay 27, 2025

These video tutorials cover many aspects of chemical annotation using non-targeted analysis (NTA) from LC-HRMS/MS data. Other tutorials on LC-IM-HRMS and GC-HRMS also exist / are coming! These tutorials will provide answers to the following questions (using per- and polyfluoroalkyl substances and FluoroMatch Suite Software as an example case study):

  1. Why use non-targeted analysis?
  2. What are the various measurements which can be used to annotate chemicals?
  3. What is exact mass and mass defect and how can it be used to help classify PFAS from other molecules?
  4. What is Kendrick Mass Defect and how can we renormalize the periodic table to find new chemical classes (even if they are complete unknowns!). What is a homologous series?
  5. What is an isotope? How does isotopic pattern inform chemical annotation, and how does formula prediction work and how can it be used?
  6. What is Kaufmann analysis, and how can it be used to classify PFAS?
  7. What is MS/MS and how fragmentation of a molecule be used for unknown structure elucidation?
  8. How can we combine all the different pieces of evidence to ifnorm chemical annotation in non-targeted analysis?

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