Accurate mass measurements and their appropriate use for reliable analyte identification.
Accurate mass instrumentation is becoming increasingly available to non-expert users. This data can be mis-used, particularly for analyte identification. Current best practice in assigning potential elemental formula for reliable analyte identification has been described with modern informatic approaches to analyte elucidation, including chemometric characterisation, data processing and searching using facilities such as the Chemical Abstracts Service (CAS) Registry and Chemspider.
Institute of Mass Spectrometry, College of Medicine, Swansea University, Swansea, UK. A.R.Godfrey@swansea.ac.uk
A Ruth
AR
Godfrey
A Gareth
AG
Brenton
D013058:Mass Spectrometry / Q000295:instrumentation / Q000379:methods*; D008970:Molecular Weight; D009930:Organic Chemicals / Q000737:chemistry*
D009930:Organic Chemicals