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1. (WO2018222345) AUTOMATED DETERMINATION OF MASS SPECTROMETER COLLISION ENERGY

Pub. No.:    WO/2018/222345    International Application No.:    PCT/US2018/031382
Publication Date: Fri Dec 07 00:59:59 CET 2018 International Filing Date: Tue May 08 01:59:59 CEST 2018
IPC: H01J 49/00
Applicants: THERMO FINNIGAN LLC
Inventors: YIP, Ping, F.
CARDASIS, Helene, L.
STEPHENSON, James, L., Jr.
Title: AUTOMATED DETERMINATION OF MASS SPECTROMETER COLLISION ENERGY
Abstract:
The present disclosure establishes new dissociation parameters that may be used to determine the collision energy (CE) needed to achieve a desired extent of dissociation for a given analyte precursor ion using collision cell type collision-induced dissociation. This selection is based solely on the analyte precursor ion's molecular weight, MW, and charge state, z. Metrics are proposed that may be used as a parameter for the "extent of dissociation", and then predictive models are developed of the CEs required to achieve a range of values for each metric. Each model is a simple smooth function of only MW and z of the precursor ion. Coupled with a real-time spectral deconvolution (m/z to mass) algorithm, methods in accordance with the invention enable control over the extent of dissociation through automated, real-time selection of collision energy in a precursor- dependent manner.