CPVA: a web-based metabolomic tool for chromatographic peak visualization and annotation.
Bioinformatics
; 36(12): 3913-3915, 2020 06 01.
Article
em En
| MEDLINE
| ID: mdl-32186699
ABSTRACT
MOTIVATION Liquid chromatography-mass spectrometry-based non-targeted metabolomics is routinely performed to qualitatively and quantitatively analyze a tremendous amount of metabolite signals in complex biological samples. However, false-positive peaks in the datasets are commonly detected as metabolite signals by using many popular software, resulting in non-reliable measurement. RESULTS:
To reduce false-positive calling, we developed an interactive web tool, termed CPVA, for visualization and accurate annotation of the detected peaks in non-targeted metabolomics data. We used a chromatogram-centric strategy to unfold the characteristics of chromatographic peaks through visualization of peak morphology metrics, with additional functions to annotate adducts, isotopes and contaminants. CPVA is a free, user-friendly tool to help users to identify peak background noises and contaminants, resulting in decrease of false-positive or redundant peak calling, thereby improving the data quality of non-targeted metabolomics studies. AVAILABILITY AND IMPLEMENTATION The CPVA is freely available at http//cpva.eastus.cloudapp.azure.com. Source code and installation instructions are available on GitHub https//github.com/13479776/cpva. SUPPLEMENTARY INFORMATION Supplementary data are available at Bioinformatics online.
Texto completo:
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Base de dados:
MEDLINE
Assunto principal:
Software
/
Metabolômica
Tipo de estudo:
Prognostic_studies
Idioma:
En
Ano de publicação:
2020
Tipo de documento:
Article