ORIGAMI: A software suite for activated ion mobility mass spectrometry (aIM-MS) applied to multimeric protein assemblies

Abstract

We present here a software suite (ORIGAMI) that facilitates the rapid acquisition and analysis of ion mobility data following collisional activation. ORIGAMI was developed for use on Waters Synapt instruments where data acquisition is achieved by interfacing WREnS (Waters Research Enabled Software) and MassLynx. Two components are presented, the first is ORIGAMIMS which enables the activation of ions via a sequential ramping of collision voltage prior to ion mobility analysis. We demonstrate the use of ORIGAMI on the tetrameric assemblies formed by the proteins concanavalin A (103kDa) and alcohol dehydrogenase (143kDa). Activation is performed in the trap collision cell of the Synapt TriWave assembly where the collision voltage can be ramped from 0 to 200V. All of the acquired data is recorded in a single file which simplifies data acquisition while keeping the acquisition times at approx. 25min for a single charge state exposed to a collision voltage range of 0–200V. Following acquisition, the data are analysed in the second component, ORIGAMIANALYSE, which allows the user to visualise the effect of activation on the mobility of the parent ion, as well as on any fragment ion. The user can export the data in the form of heat maps, waterfall or wire plots as well as interactive and shareable webpages. In addition, tools implemented in ORIGAMI enable easy data extraction from single or multiple MassLynx .raw files, in-depth interrogation of large datasets, statistical analysis and figure creation capabilities.