{"doi":"10.1002/mrc.5371","title":"MagMet: A fully automated web server for targeted nuclear magnetic resonance metabolomics of plasma and serum","abstract":"Abstract Nuclear magnetic resonance (NMR) spectral analysis of biofluids can be a time‐consuming process, requiring the expertise of a trained operator. With NMR becoming increasingly popular in the field of metabolomics, there is a growing need to change this paradigm and to automate the process. Here we introduce MagMet, an online web server, that automates the processing and quantification of 1D 1 H NMR spectra from biofluids—specifically, human serum/plasma metabolites, including those associated with inborn errors of metabolism (IEM). MagMet uses a highly efficient data processing procedure that performs automatic Fourier Transformation, phase correction, baseline optimization, chemical shift referencing, water signal removal, and peak picking/peak alignment. MagMet then uses the peak positions, linewidth information, and J‐couplings from its own specially prepared standard metabolite reference spectral NMR library of 85 serum/plasma compounds to identify and quantify compounds from experimentally acquired NMR spectra of serum/plasma. MagMet employs linewidth adjustment for more consistent quantification of metabolites from higher field instruments and incorporates a highly efficient data processing procedure for more rapid and accurate detection and quantification of metabolites. This optimized algorithm allows the MagMet webserver to quickly detect and quantify 58 serum/plasma metabolites in 2.6 min per spectrum (when processing a dataset of 50–100 spectra). MagMet's performance was also assessed using spectra collected from defined mixtures (simulating other biofluids), with >100 previously measured plasma spectra, and from spiked serum/plasma samples simulating known IEMs. In all cases, MagMet performed with precision and accuracy matching the performance of human spectral profiling experts. MagMet is available at http://magmet.ca .","journal":"Magnetic Resonance in Chemistry","year":2023,"id":326914,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":27,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9481,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2023-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":1046978,"name":"Matthias Lipfert","orcid":null,"position":1,"is_corresponding":false},{"id":51867,"name":"Brian L. Lee","orcid":null,"position":2,"is_corresponding":false},{"id":51868,"name":"Mark Berjanskii","orcid":null,"position":3,"is_corresponding":false},{"id":74740,"name":"Nazanin Assempour","orcid":null,"position":4,"is_corresponding":false},{"id":1046979,"name":"Rosa Vázquez Fresno","orcid":null,"position":5,"is_corresponding":false},{"id":1046980,"name":"Arnau Serra Cayuela","orcid":null,"position":6,"is_corresponding":false},{"id":1046505,"name":"Ying Dong","orcid":"0000-0003-2859-3373","position":7,"is_corresponding":false},{"id":1046981,"name":"Mathew Johnson","orcid":null,"position":8,"is_corresponding":false},{"id":1046982,"name":"Honeya Shahin","orcid":null,"position":9,"is_corresponding":false},{"id":51894,"name":"Vasuk Gautam","orcid":"0000-0002-9204-1963","position":10,"is_corresponding":false},{"id":74737,"name":"Tanvir Sajed","orcid":"0009-0002-6692-4161","position":11,"is_corresponding":false},{"id":51861,"name":"Eponine Oler","orcid":null,"position":12,"is_corresponding":false},{"id":51863,"name":"Harrison Peters","orcid":null,"position":13,"is_corresponding":false},{"id":51889,"name":"Rupasri Mandal","orcid":null,"position":14,"is_corresponding":false},{"id":51859,"name":"David S. Wishart","orcid":"0000-0002-3207-2434","position":15,"is_corresponding":false},{"id":635450,"name":"Manoj Kumar Rout","orcid":null,"position":0,"is_corresponding":true}],"reference_count":40,"raw_metadata":null,"created_at":"2026-07-19T01:08:37.840107Z","pmid":"37265034","pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}