{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T08:19:07Z","timestamp":1790842747498,"version":"4.1.0"},"reference-count":26,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2023,11,18]],"date-time":"2023-11-18T00:00:00Z","timestamp":1700265600000},"content-version":"am","delay-in-days":352,"URL":"http:\/\/www.elsevier.com\/open-access\/userlicense\/1.0\/"},{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2022,12,1]],"date-time":"2022-12-01T00:00:00Z","timestamp":1669852800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["1660921"],"award-info":[{"award-number":["1660921"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000002","name":"National Institutes of Health","doi-asserted-by":"publisher","award":["P20 GM113126"],"award-info":[{"award-number":["P20 GM113126"]}],"id":[{"id":"10.13039\/100000002","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000002","name":"National Institutes of Health","doi-asserted-by":"publisher","award":["RR015468-01"],"award-info":[{"award-number":["RR015468-01"]}],"id":[{"id":"10.13039\/100000002","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100011605","name":"National Science Foundation","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100011605","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100017820","name":"Nebraska Center for Integrated Biomolecular Communication","doi-asserted-by":"publisher","award":["P20 GM113126"],"award-info":[{"award-number":["P20 GM113126"]}],"id":[{"id":"10.13039\/100017820","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Journal of Magnetic Resonance"],"published-print":{"date-parts":[[2022,12]]},"DOI":"10.1016\/j.jmr.2022.107335","type":"journal-article","created":{"date-parts":[[2022,11,13]],"date-time":"2022-11-13T17:54:38Z","timestamp":1668362078000},"page":"107335","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":22,"special_numbering":"C","title":["Chemical shift variations in common metabolites"],"prefix":"10.1016","volume":"345","author":[{"given":"Fatema","family":"Bhinderwala","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Heidi","family":"E. Roth","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hannah","family":"Noel","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dennis","family":"Feng","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9948-6837","authenticated-orcid":false,"given":"Robert","family":"Powers","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.jmr.2022.107335_b0005","doi-asserted-by":"crossref","first-page":"144","DOI":"10.1016\/j.jmr.2015.07.014","article-title":"Can NMR solve some significant challenges in metabolomics?","volume":"260","author":"Nagana Gowda","year":"2015","journal-title":"J. Magn. Reson."},{"key":"10.1016\/j.jmr.2022.107335_b0010","series-title":"Metabonomics: Methods and Protocols","first-page":"161","article-title":"The strengths and weaknesses of NMR spectroscopy and mass spectrometry with particular focus on metabolomics research","author":"Emwas","year":"2015"},{"key":"10.1016\/j.jmr.2022.107335_b0015","doi-asserted-by":"crossref","DOI":"10.3390\/metabo9070123","article-title":"NMR spectroscopy for metabolomics research","volume":"9","author":"Emwas","year":"2019","journal-title":"Metabolites"},{"key":"10.1016\/j.jmr.2022.107335_b0020","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.pnmrs.2017.01.001","article-title":"Beyond the paradigm: Combining mass spectrometry and nuclear magnetic resonance for metabolomics","volume":"100","author":"Marshall","year":"2017","journal-title":"Prog. Nucl. Magn. Reson. Spectrosc."},{"key":"10.1016\/j.jmr.2022.107335_b0025","doi-asserted-by":"crossref","first-page":"34","DOI":"10.1016\/j.copbio.2016.08.001","article-title":"The future of NMR-based metabolomics","volume":"43","author":"Markley","year":"2017","journal-title":"Curr. Opin. Biotechnol."},{"key":"10.1016\/j.jmr.2022.107335_b0030","doi-asserted-by":"crossref","first-page":"228","DOI":"10.1016\/j.trac.2007.12.001","article-title":"Quantitative metabolomics using NMR","volume":"27","author":"Wishart","year":"2008","journal-title":"TrAC, Trends Anal. Chem."},{"key":"10.1016\/j.jmr.2022.107335_b0035","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1007\/978-3-030-51652-9_2","article-title":"NMR-based metabolomics","volume":"1280","author":"Nagana Gowda","year":"2021","journal-title":"Adv Exp Med Biol"},{"key":"10.1016\/j.jmr.2022.107335_b0040","doi-asserted-by":"crossref","DOI":"10.1093\/biostatistics\/kxac015","article-title":"Shifting-corrected regularized regression for 1H NMR metabolomics identification and quantification","author":"Vu","year":"2022","journal-title":"Biostatistics"},{"key":"10.1016\/j.jmr.2022.107335_b0045","doi-asserted-by":"crossref","first-page":"1662","DOI":"10.1038\/s41467-017-01587-0","article-title":"Deconvoluting interrelationships between concentrations and chemical shifts in urine provides a powerful analysis tool","volume":"8","author":"Takis","year":"2017","journal-title":"Nat. Commun."},{"key":"10.1016\/j.jmr.2022.107335_b0050","doi-asserted-by":"crossref","first-page":"135","DOI":"10.1016\/j.csbj.2016.02.005","article-title":"A guide to the identification of metabolites in NMR-based metabonomics\/metabolomics experiments","volume":"14","author":"Dona","year":"2016","journal-title":"Comput. Struct. Biotechnol. J."},{"key":"10.1016\/j.jmr.2022.107335_b0055","doi-asserted-by":"crossref","first-page":"84","DOI":"10.1007\/s11306-019-1545-y","article-title":"Evaluation of sample preparation protocols for quantitative NMR-based metabolomics","volume":"15","author":"Snytnikova","year":"2019","journal-title":"Metabolomics"},{"key":"10.1016\/j.jmr.2022.107335_b0060","doi-asserted-by":"crossref","first-page":"35321","DOI":"10.1039\/D1RA05626C","article-title":"Variable-temperature NMR spectroscopy for metabolite identification in biological materials","volume":"11","author":"Nawrocka","year":"2021","journal-title":"RSC Adv."},{"key":"10.1016\/j.jmr.2022.107335_b0065","doi-asserted-by":"crossref","first-page":"9536","DOI":"10.1021\/acs.analchem.0c00591","article-title":"Phosphorus NMR and its application to metabolomics","volume":"92","author":"Bhinderwala","year":"2020","journal-title":"Anal. Chem."},{"key":"10.1016\/j.jmr.2022.107335_b0070","doi-asserted-by":"crossref","first-page":"106","DOI":"10.1007\/s11306-017-1242-7","article-title":"Navigating freely-available software tools for metabolomics analysis","volume":"13","author":"Spicer","year":"2017","journal-title":"Metabolomics"},{"key":"10.1016\/j.jmr.2022.107335_b0075","doi-asserted-by":"crossref","first-page":"36","DOI":"10.1007\/s11306-020-01657-3","article-title":"Software tools, databases and resources in metabolomics: updates from 2018 to 2019","volume":"16","author":"O\u2019Shea","year":"2020","journal-title":"Metabolomics"},{"key":"10.1016\/j.jmr.2022.107335_b0080","doi-asserted-by":"crossref","first-page":"8683","DOI":"10.1021\/ac202123k","article-title":"Between-person comparison of metabolite fitting for NMR-based quantitative metabolomics","volume":"83","author":"Tredwell","year":"2011","journal-title":"Anal. Chem."},{"key":"10.1016\/j.jmr.2022.107335_b0085","doi-asserted-by":"crossref","first-page":"D622","DOI":"10.1093\/nar\/gkab1062","article-title":"HMDB 5.0: the human metabolome database for 2022","volume":"50","author":"Wishart","year":"2022","journal-title":"Nucleic Acids Res"},{"key":"10.1016\/j.jmr.2022.107335_b0090","article-title":"BioMagResBank","volume":"36","author":"Ulrich","year":"2008","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.jmr.2022.107335_b0095","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1007\/978-1-4939-9488-5_19","article-title":"Metabolomics Analyses from Tissues in Parkinson's Disease","author":"Bhinderwala","year":"2019","journal-title":"Methods Mol. Biol. (CliftonN.J.)"},{"key":"10.1016\/j.jmr.2022.107335_b0100","doi-asserted-by":"crossref","first-page":"265","DOI":"10.1007\/978-1-4939-9690-2_16","article-title":"NMR metabolomics protocols for drug discovery","volume":"2037","author":"Bhinderwala","year":"2019","journal-title":"Methods Mol. Biol."},{"key":"10.1016\/j.jmr.2022.107335_b0105","doi-asserted-by":"crossref","first-page":"263","DOI":"10.1016\/j.jmr.2006.10.014","article-title":"SOGGY: Solvent-optimized double gradient spectroscopy for water suppression. A comparison with some existing techniques","volume":"184","author":"Nguyen","year":"2007","journal-title":"J. Magnetic Reson."},{"key":"10.1016\/j.jmr.2022.107335_b0110","doi-asserted-by":"crossref","first-page":"1529","DOI":"10.1016\/j.bpj.2017.03.011","article-title":"NMRbox: A resource for biomolecular NMR computation","volume":"112","author":"Maciejewski","year":"2017","journal-title":"Biophys. J."},{"key":"10.1016\/j.jmr.2022.107335_b0115","doi-asserted-by":"crossref","unstructured":"B. Worley, R. Powers, Deterministic multidimensional nonuniform gap sampling, (2015).","DOI":"10.1016\/j.jmr.2015.09.016"},{"key":"10.1016\/j.jmr.2022.107335_b0120","doi-asserted-by":"crossref","first-page":"165","DOI":"10.1023\/A:1024944720653","article-title":"Optimizing resolution in multidimensional NMR by three-way decomposition","volume":"27","author":"Orekhov","year":"2003","journal-title":"J. Biomol. NMR"},{"key":"10.1016\/j.jmr.2022.107335_b0125","doi-asserted-by":"crossref","first-page":"968","DOI":"10.1002\/anie.201804736","article-title":"High-throughput metabolomics by 1D NMR","volume":"58","author":"Vignoli","year":"2019","journal-title":"Angew. Chem. Int. Ed. Engl."},{"key":"10.1016\/j.jmr.2022.107335_b0130","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1007\/978-1-4939-7172-5_13","article-title":"NMR and MS Methods for Metabolomics","volume":"1641","author":"Amberg","year":"2017","journal-title":"Methods Mol. Biol."}],"container-title":["Journal of Magnetic Resonance"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1090780722001938?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1090780722001938?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,5,12]],"date-time":"2026-05-12T12:39:28Z","timestamp":1778589568000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1090780722001938"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,12]]},"references-count":26,"alternative-id":["S1090780722001938"],"URL":"https:\/\/doi.org\/10.1016\/j.jmr.2022.107335","relation":{},"ISSN":["1090-7807"],"issn-type":[{"value":"1090-7807","type":"print"}],"subject":[],"published":{"date-parts":[[2022,12]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Chemical shift variations in common metabolites","name":"articletitle","label":"Article Title"},{"value":"Journal of Magnetic Resonance","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.jmr.2022.107335","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2022 Elsevier Inc. All rights reserved.","name":"copyright","label":"Copyright"}],"article-number":"107335"}}