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(Reference retrieved automatically from SciELO through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

GUIDE FOR CHROMATOGRAPHY COUPLED TO MASS SPECTROMETRY DATA PROCESSING

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Author(s):
Ricardo Moreira Borges [1] ; João Victor Mendes Resende [2] ; Aldebaran Oliveira de Moraes [3] ; Alana Kelyene Pereira [4] ; Rafael Garrett [5] ; Anelize Bauermeister ; Antonio Jorge Ribeiro da Silva [7]
Total Authors: 7
Affiliation:
[1] Universidade Federal do Rio de Janeiro. Instituto de Pesquisas de Produtos Naturais Walter Mors - Brasil
[2] Universidade Federal do Rio de Janeiro. Instituto de Pesquisas de Produtos Naturais Walter Mors - Brasil
[3] Universidade Federal do Rio de Janeiro. Instituto de Pesquisas de Produtos Naturais Walter Mors - Brasil
[4] Universidade Estadual de Campinas. Instituto de Química - Brasil
[5] Universidade Federal do Rio de Janeiro. Instituto de Química - Brasil
[7] Universidade Federal do Rio de Janeiro. Instituto de Pesquisas de Produtos Naturais Walter Mors - Brasil
Total Affiliations: 7
Document type: Journal article
Source: Química Nova; v. 45, n. 5, p. 608-620, 2022-07-22.
Abstract

In this work, a discussed and step-wise tutorial for LC-MS and GC-MS data processing using the open-access software MZMine2 is presented and discussed. The rationale behind each step was demonstrated to enable the readers to go through their own data and process it accordingly. The main lesson to be learned is that each parameter must be chosen in light of the raw data and no guidelines should suggest a predetermined value. Still, it is worth mentioning that ideal values for each parameter do not exist, and that the user might end up investing too much time futilely optimizing values. Our suggestion is to process your data in light of the raw data (and the study design) following the preview figure result and the resulting feature list generated in each processing step, interpret your data, and go back to process it again to tune the detection of important features. (AU)

FAPESP's process: 18/24865-4 - New approaches in metabolomics: 3D Molecular cartography of ascidians based on LC-MS/MS data
Grantee:Anelize Bauermeister
Support Opportunities: Scholarships abroad - Research Internship - Post-doctor