Mid-Canada AOAC has developed an exciting line-up of informative free workshops for Mid-AOAC Scientific Symposium 2018. Please indicate on your registration which workshops you wish to attend.
Good Spectrometer Practices – How to continually get good data from your NMR
Nicole K. Kruse Ph.D
Applications Scientist, Bruker BioSpin
Data Integrity Good Weighing Practice.
Mettler Toledo Canada
A look at good practices beyond the Pharma applications.
Mettler Toledo Canada
Easy Raw Materials Identification using PerkinElmer’s Spectrum Two N FT-NIR.
From Mass to Formula
Workshop in determining the chemical formula with modern mass spectrometry.
Mid-Canada AOAC meeting
April 25, 2018
Jim Kapron, PhD
Finding the molecular or chemical formula is a major part of metabolomics. One commonly used method is comparing the mass spectrum against library entries. What if the compound(s) are entirely new? This workshop addresses two modern methods for determining the formula based on mass spectral results.
Mass spectrometers provide the mass-to-charge ratio in the x-axis and the isotopic abundance in the y-axis. With even the most cursory glance, a high-resolution mass spectrum can show the exact mass, at least for small molecules. By comparing the observed mass versus all of the possible combinations of atoms, you can get a reasonable guess at the molecular formula. But can you do any better than a reasonable guess? Can you narrow it down to a single possibility?
“What are those nubbins?” Delve into the details of a mass spectrum and you will see low abundance peaks. At nominal resolution, the formula information is masked. At higher resolutions, the formula information becomes clearer and individual atomic contributions can be distinguished.
“It’s all about the baseline.” This workshop will show two types of mass spectrometer and the software we use to convert these peaks near the baseline into ever increasingly precise formulas.
Who should attend? Metabolomics researchers, bench chemists whose job it is to determine chemical formulas, synthetic chemists, lab managers, anyone who’s ever thought to themselves, “Oh, it must be that formula because the mass error is the closest match.”
Enhancing Chemical Safety and Emergency Response Products
- Fostering a productive chemical safety culture.
- Identifying practical chemical hazards that are often overlooked.
- Spill protection: New environmentally friendly sorbents!
- Emergency eye and facewash: Have you tested lately?
- Free onsite surveys: How to sign up.