Background correction in separation techniques hyphenated to high-resolution mass spectrometry - Thorough correction with MS scans recorded as profile spectra

• Type: Article in International Scientific Journal
• Date: 2017

Authors

Guillaume L. Erny (Author) FEUP; Tanize Acunha (Author) Other; Carolina Simó (Author) Other; Alejandro Cifuentes (Author) Other; Arminda Alves (Author) FEUP

Journal

Title: Journal of Chromatography A

Vol. 1492

Pages: 98-105

ISSN: 0021-9673

Publisher: Elsevier

Indexing

ISI Web of Science

Scopus

Scientific classification

CORDIS: Physical sciences > Chemistry > Analytical chemistry

FOS: Natural sciences > Chemical sciences

Associated Projects

LEPABE-2-ECO-INNOVATION - LEPABE-2-ECO-INNOVATION

LEPABE - Laboratório de Engenharia de Processos, Ambiente, Biotecnologia e Energia

Other information

DOI: 10.1016/j.chroma.2017.02.052

Abstract (EN): Separation techniques hyphenated with high-resolution mass spectrometry have been a true revolution in analytical separation techniques. Such instruments not only provide unmatched resolution, but they also allow measuring the peaks accurate masses that permit identifying monoisotopic formulae. However, data files can be large, with a major contribution from background noise and background ions. Such unnecessary contribution to the overall signal can hide important features as well as decrease the accuracy of the centroid determination, especially with minor features. Thus, noise and baseline correction can be a valuable pre-processing step. The methodology that is described here, unlike any other approach, is used to correct the original dataset with the MS scans recorded as profiles spectrum. Using urine metabolic studies as examples, we demonstrate that this thorough correction reduces the data complexity by more than 90%. Such correction not only permits an improved visualisation of secondary peaks in the chromatographic domain, but it also facilitates the complete assignment of each MS scan which is invaluable to detect possible comigration/coeluting species.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 8