Credit: Adam L. Hollerbach et al.
Scientists at the Department of Energy’s Pacific Northwest National Laboratory (PNNL) have developed a novel mass spectrometry method to identify previously unidentified chemicals. By combining mass spectrometry with structures for lossless ion manipulations (SLIM) the researchers hope to be able to identify and classify countless chemical compounds.
Current estimates believe that only around one percent of chemical compounds found on Earth have been identified. Current methods of identification include utilizing a library of known chemical structures to compare to the results of analysis, this limits discovery to only those structures that have been defined. However, researchers at the m/q initiative hope to have changed that by developing a new technique that combines two previously separate techniques.
The new technique, published in Analytical Chemistry, utilizes an orbitrap mass spectrometer and a SLIM device. The orbitrap mass spectrometer is useful to gain insight into the mass and charge of an ion, while the slim helps round out the picture with data regarding the ion's shape and size.
“Two different molecules can have the same number of atoms, and the same mass and charge, but they could have very different structures and activity. That’s where SLIM comes in to tell the difference,” said Adam Hollerbach, chemist at PNNL.
By combining the slim data with that of the mass spec researchers now have the necessary information to fully understand the structure of an unknown molecule. Currently, researchers are investigating various automation options to take the data generated by the new technique and use it to predict an ions structure for real-time analysis of unknown chemical compounds.