Waters | Nonlinear Dynamics

Progenesis QI

The next generation in LC-MS data analysis software.
Discover the significantly changing compounds in your samples.


How can I use MSMS or MSᴱ information to improve my compound identifications?

Progenesis QI allows you to search for compound identifications based not only on compound properties such as neutral mass, retention time and CCS, but also on the fragmentation patterns produced by compounds in your experiment.

There are 3 options on how to handle fragmentation data in your experiment:

Do not use fragmentation data
Any fragmentation data in your experiment will be ignored.
Perform theoretical fragmentation
Your experimental fragmentation data is compared to theoretical fragmentation patterns generated by the simulated breaking of bonds in the structures of possible identifications.
Perform fragment database search
Your experimental fragmentation data is compared to known fragmentation patterns of a library of compounds, which are stored in a fragment database.

After performing the search, you’ll be presented with a fragmentation score where a high score represents a high number of peak / observed fragment matches.

See also