Rapid separation of cannabinoid isomer sets using differential mobility spectrometry and mass spectrometry.

With legalization and decriminalization of cannabis in many parts of the world comes the need for rapid separation and quantitation of the psychoactive ingredients. Here, we demonstrate the use of differential mobility spectrometry (DMS) mass spectrometry for the analysis of five cannabinoid molecules: the isomer set of Δ-tetrahydrocannabinol (THC), cannabidiol (CBD), and cannabichromine (CBC), and the (-)-tetrahydrocannabinolic acid (THCA) and cannabidiolic acid (CBDA) isomer pair. Analytes were investigated under a variety of gas-phase environments to identify optimal separation conditions based on ion differential mobilities.

UVPD Spectroscopy of Differential Mobility-Selected Prototropic Isomers of Rivaroxaban.

Two ion populations of protonated Rivaroxaban, [CHClNOS + H], are separated under pure N conditions using differential mobility spectrometry prior to characterization in a hybrid triple quadrupole linear ion trap mass spectrometer. These populations are attributed to bare protonated Rivaroxaban and to a proton-bound Rivaroxaban-ammonia complex, which dissociates prior to mass-selecting the parent ion. Ultraviolet photodissociation (UVPD) and collision-induced dissociation (CID) studies indicate that both protonated Rivaroxaban ion populations are comprised of the computed global minimum prototropic isomer.

Determining Collision Cross Sections from Differential Ion Mobility Spectrometry.

The experimental determination of ion-neutral collision cross sections (CCSs) is generally confined to ion mobility spectrometry (IMS) technologies that operate under the so-called low-field limit or those that enable empirical calibration strategies (e.g., traveling wave IMS; TWIMS).