Accurate Analysis by Mass Spectrometry--LC/MS and Interpretation of Mass Spectra of Unknowns and Small Molecules
Sunday, March 2, 2025 8:30 AM to 5:00 PM · 8 hr. 30 min. (America/New_York)
Short Course Office - Room 153A
Short Course
Instrumentation & Nanoscience
Information
This is a redesigned course on the interpretation of electrospray mass spectra for small molecules. The course now focuses on accurate mass. Firstly, on the different types of instrumentation and the wide variety of instruments and their pros and cons. Indepth discussion of both accuracy and resolving power and how it is used to do unknowns and target compounds. The course delves into AI software to help identify unknowns using libraries, databases, in silico fragmentation with little or no help from the user. These new tools promise to be a big help for beginners and intermediate users of accurate mass.
Secondly, is the understanding of fragmentation and MS-MS spectra. The course delves into many aspects of the rules of fragmentation, such as the Nitrogen rule, the Even Electron rule, and many heuristics or rules of thumb for understanding mass spectra, both accurate and nominal mass.
Lastly, the course discusses many examples from three fields of study. 1. The environmental field with examples such as PFAS, hydraulic fracturing, pesticides and pharmaceuticals in water and soil. 2. The pharmaceutical industry and metabolite identification. 3. Natural products, such as hemp and THC analysis.
Finally, the student will have a well rounded and clear understanding of how to buy, use, and benefit from accurate mass analysis.
Secondly, is the understanding of fragmentation and MS-MS spectra. The course delves into many aspects of the rules of fragmentation, such as the Nitrogen rule, the Even Electron rule, and many heuristics or rules of thumb for understanding mass spectra, both accurate and nominal mass.
Lastly, the course discusses many examples from three fields of study. 1. The environmental field with examples such as PFAS, hydraulic fracturing, pesticides and pharmaceuticals in water and soil. 2. The pharmaceutical industry and metabolite identification. 3. Natural products, such as hemp and THC analysis.
Finally, the student will have a well rounded and clear understanding of how to buy, use, and benefit from accurate mass analysis.
Day of Week
Sunday
Session Number
SC-4882
Application
Environmental
Methodology
Mass Spectrometry
Primary Focus
Application
Short Course Information
Course Level
Intermediate
Duration
Full Day Course
Learning Objective
1. To be able to wisely purchase an accurate mass instrument both LC/MS and GC/MS, including software.
2. To be able to understand mass spectra for accurate mass and determine unknowns
3. Basic understanding of MS-MS fragmentation and how to use AI software for unknown analysis
4. Take home examples to study.
Course Outline
Lecture 1. Introduction to Accurate Mass: Discussion of the various instruments for accurate mass including LC/QTOF, GC/QTOF, LC/TOF, GC/TOF, and LC and GC Orbitraps. Discussion includes pros and cons of each instrument and how to get the best bang for your buck when buying and instrument.
Lecture 2. How accurate mass is measured and how to use accurate mass for unknown analysis--Introduction to the 5 step procedure for unknown analysis.
Lecture 3. Interpretation of accurate mass spectra with emphasis on MS-MS and unknown analysis.
Lecture 4. Introduction to AI software for MS-MS analysis and unknown identification-Libraries, Databases, and in-silicio fragmentation
Lecture 5. Examples of Unknowns from the environmental, pharmaceutical, and natural product areas of study.
Lecture 6. Continuation of examples
Lecture 7. Discussion of unknown analysis from the students and practice examples with actual accurate mass MS/MS spectra
Target Audience
1. Users of mass spectrometry instruments, such as students, technologists, and research scientists in the environmental, pharmaceutical, and natural product chemistry
2. Lab directors who purchase and oversee mass spectrometry instruments
3. Chemists interested in getting into accurate mass analysis but are reluctant due to the learning curve.
Early Fee (before Jan 29, 2026)
$900.00
Full Fee (after Jan 29, 2026)
$1100.00
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