NIST26 Accurate Mass LC-MS/MS: Basic Introductory Course

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This in an Introductory Course in NIST26 LC-MS/MS V4.0 This page contains ALL FREE resources for learning the fundamentals of accurate mass liquid chromatography-tandem mass spectrometry (LC-MS/MS). It is intended for, new users of LC-MS instruments, university students, and experienced GC-MS users who wish to expand into LC-MS/MS. It employs ~90 minutes of YouTube tutorials.

Compared with electron ionization (EI) GC-MS, LC-MS/MS presents additional challenges. A single compound may produce multiple precursor ions, several adducts, and different charge states. In addition, successful identification requires interpretation of both MS1 and MS2 data, together with chromatographic information, accurate mass measurements, isotope patterns, and library search results.

Rather than searching for a single "correct" answer, LC-MS/MS interpretation often involves evaluating several candidate compounds and selecting the best overall match based on all available evidence.

What You Will Learn

This introductory course explains the basic concepts needed to interpret accurate mass LC-MS/MS data, including:

Fundamentals of HPLC separation
Electrospray ionization (ESI)
Common precursor ions, adducts, and charge states
Accurate mass measurements and mass accuracy
Isotope patterns and elemental composition
The relationship between MS1 and MS2 spectra
Library searching using tandem mass spectra
Practical interpretation using a best-hit approach

Free Resources

All supporting materials are provided free of charge and include:

Fully functional NIST26 software
NIST26 MS/MS libraries containing more than 500,000 tandem mass spectra
Downloadable LC-MS/MS demonstration data files
Step-by-step YouTube video tutorials
Printable handouts accompanying each tutorial
Practice examples illustrating complete LC-MS/MS workflows

Course Philosophy

The goal of this course is to teach the basic art of compound identification using accurate mass LC-MS/MS. Students will learn not only how to operate the software, but also how to evaluate the quality of the evidence supporting a proposed identification.

By working through real experimental data, students will gain confidence in processing LC-MS/MS data, interpreting MS1 and MS2 spectra, performing library searches, and selecting the most chemically reasonable identification for unknown compounds.

No previous experience with LC-MS/MS is assumed, although a basic understanding of chemistry and mass spectrometry will be helpful.

YouTube Video Tutorials:

Associated Handouts for Video Tutorials:

Resources:

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