Bruker Daltonics, Inc.

Rohan Thakur

Felician Muntean

Maurizio Splendore

Stephen Zanon

Roy P Moeller

Robin Park

Maurizio A Splendore

Disclosed is a method of associating molecular structures with signal peaks in spectrometry data obtained from separation according to one or more physical-chemical properties, comprising, as the case may be repeatedly: providing one or more signal peaks in acquired spectrometry data being related to an experimental value of mobility or a related property; ascertaining one or more molecular structure candidates suitable for being associated with the one or more signal peaks; providing by one of calculating, estimating, deriving and deducing for each molecular structure candidate a distribution of first match scores as a function of mobility; defining a presumed first match score for each molecular structure candidate as output from the respective distribution on applying the experimental value of mobility of the one or more signal peaks; and using the presumed first match score in a step of associating a molecular structure with the one or more signal peaks.

Physical-chemical property scoring for structure elucidation in ion spectrometry

An assembly for use in an electrospray ion source includes a capillary for guiding a flow of liquid generally containing analyte(s) of interest, which is to be electrosprayed into an ionization chamber, a first tube at least partially encasing the capillary such that a first conduit for guiding a first heatable gas is created proximate the capillary and a hollow member that has an internal evacuated space and is located at the outer circumference of the capillary such that heat transfer from the first heatable gas flowing proximate the capillary to the liquid in the capillary is impeded. The assembly provides a simple and lean/compact way of preventing excessive heat transfer to the liquid in the capillary of an electrospray ion source.

Assembly for an electrospray ion source

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Mountain View, CA, United States of America

Rohan Thakur