GC-MS Identification Using Spectral Libraries & Software Tools

Researchers often compare unknown mass spectra to a reference library of spectra for identification, classification, and confirmation.

In this workshop, Dr. Michelle D’ Souza performs various qualitative approaches to identify an unknown compound using Wiley’s KnowItAll software and spectral libraries. Step-by-step examples will include basic MS spectral search comparison, mixture analysis, and patent-pending MS adaptive search.

Attendees can optionally choose to download Wiley’s KnowItAll software and spectral libraries to follow along with the examples as Dr. D’Souza goes through them.

If you intend to follow along with the live identification examples on another computer, you can download and install the software and example files being used in the workshop ahead of time.

Here are the links to download:

• KnowItAll MS (2-week access to software and libraries)
• Sample Spectra

If you don’t wish to follow along, no worries, you can simply view the examples as she goes through them.

We are looking forward to your participation!

Presenter: Dr. Michelle D'Souza (Product Manager, Software Products, Wiley Science Solutions)

Dr. D’Souza has over 15 years of experience in the management and development of spectroscopy software, including her current position as product manager for software products at Wiley Science Solutions and prior to that at Bio-Rad Laboratories, Inc. She also worked many years in the pharmaceutical industry after obtaining a Ph.D. in chemistry from Northern Illinois University.

Presenter: Dr. Christina Poggel (Editor-in-Chief, Wiley)