{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,17]],"date-time":"2026-04-17T03:27:52Z","timestamp":1776396472784,"version":"3.51.2"},"update-to":[{"DOI":"10.1371\/journal.pcbi.1007654","type":"new_version","label":"New version","source":"publisher","updated":{"date-parts":[[2020,3,26]],"date-time":"2020-03-26T00:00:00Z","timestamp":1585180800000}}],"reference-count":29,"publisher":"Public Library of Science (PLoS)","issue":"3","license":[{"start":{"date-parts":[[2020,3,16]],"date-time":"2020-03-16T00:00:00Z","timestamp":1584316800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100006206","name":"Biological and Environmental Research","doi-asserted-by":"publisher","award":["DE-AC05-76RL01830"],"award-info":[{"award-number":["DE-AC05-76RL01830"]}],"id":[{"id":"10.13039\/100006206","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["www.ploscompbiol.org"],"crossmark-restriction":false},"short-container-title":["PLoS Comput Biol"],"DOI":"10.1371\/journal.pcbi.1007654","type":"journal-article","created":{"date-parts":[[2020,3,16]],"date-time":"2020-03-16T17:31:48Z","timestamp":1584379908000},"page":"e1007654","update-policy":"https:\/\/doi.org\/10.1371\/journal.pcbi.corrections_policy","source":"Crossref","is-referenced-by-count":52,"title":["ftmsRanalysis: An R package for exploratory data analysis and interactive visualization of FT-MS data"],"prefix":"10.1371","volume":"16","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-8384-1926","authenticated-orcid":true,"given":"Lisa M.","family":"Bramer","sequence":"first","affiliation":[]},{"given":"Amanda M.","family":"White","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1721-9688","authenticated-orcid":true,"given":"Kelly G.","family":"Stratton","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9791-4444","authenticated-orcid":true,"given":"Allison M.","family":"Thompson","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5293-3628","authenticated-orcid":true,"given":"Daniel","family":"Claborne","sequence":"additional","affiliation":[]},{"given":"Kirsten","family":"Hofmockel","sequence":"additional","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4456-517X","authenticated-orcid":true,"given":"Lee Ann","family":"McCue","sequence":"additional","affiliation":[]}],"member":"340","published-online":{"date-parts":[[2020,3,16]]},"reference":[{"issue":"2","key":"pcbi.1007654.ref001","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1002\/mas.21422","article-title":"Fourier transform ion cyclotron resonance (FT ICR) mass spectrometry: Theory and simulations","volume":"35","author":"EN Nikolaev","year":"2016","journal-title":"Mass Spectrom Rev"},{"issue":"1","key":"pcbi.1007654.ref002","article-title":"Fourier Transform Mass Spectrometry: The Transformation of Modern Environmental Analyses","volume":"17","author":"L Lim","year":"2016","journal-title":"Int J Mol Sci"},{"issue":"1","key":"pcbi.1007654.ref003","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1002\/(SICI)1098-2787(1998)17:1<1::AID-MAS1>3.0.CO;2-K","article-title":"Fourier transform ion cyclotron resonance mass spectrometry: A primer","volume":"17","author":"AG Marshall","year":"1998","journal-title":"Mass Spectrom Rev"},{"key":"pcbi.1007654.ref004","doi-asserted-by":"crossref","first-page":"133","DOI":"10.1016\/j.soilbio.2016.11.025","article-title":"Differences in soluble organic carbon chemistry in pore waters sampled from different pore size domains","volume":"107","author":"VL Bailey","year":"2017","journal-title":"Soil Biol Biochem"},{"key":"pcbi.1007654.ref005","doi-asserted-by":"crossref","first-page":"169","DOI":"10.1016\/j.gca.2015.01.002","article-title":"Characterization of the chemical composition of soil humic acids using Fourier transform ion cyclotron resonance mass spectrometry","volume":"153","author":"K Ikeya","year":"2015","journal-title":"Geochim Cosmochim Ac"},{"issue":"10","key":"pcbi.1007654.ref006","doi-asserted-by":"crossref","first-page":"5206","DOI":"10.1021\/acs.analchem.5b00116","article-title":"Advanced Solvent Based Methods for Molecular Characterization of Soil Organic Matter by High-Resolution Mass Spectrometry","volume":"87","author":"MM Tfaily","year":"2015","journal-title":"Anal Chem"},{"key":"pcbi.1007654.ref007","doi-asserted-by":"crossref","first-page":"807","DOI":"10.1016\/j.scitotenv.2017.02.059","article-title":"A molecular zoom into soil Humeome by a direct sequential chemical fractionation of soil","volume":"586","author":"M Drosos","year":"2017","journal-title":"Sci Total Environ"},{"key":"pcbi.1007654.ref008","doi-asserted-by":"crossref","first-page":"96","DOI":"10.1016\/j.jaap.2018.10.018","article-title":"Characterization of defatted cottonseed meal-derived pyrolysis bio-oil by ultrahigh resolution electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry","volume":"136","author":"ZQ He","year":"2018","journal-title":"J Anal Appl Pyrol"},{"issue":"3","key":"pcbi.1007654.ref009","doi-asserted-by":"crossref","first-page":"622","DOI":"10.1016\/j.watres.2011.11.022","article-title":"Reactivity and chemical characterization of effluent organic nitrogen from wastewater treatment plants determined by Fourier transform ion cyclotron resonance mass spectrometry","volume":"46","author":"R Mesfioui","year":"2012","journal-title":"Water Res"},{"issue":"3\u20134","key":"pcbi.1007654.ref010","doi-asserted-by":"crossref","first-page":"140","DOI":"10.1016\/j.marchem.2008.04.008","article-title":"Molecular characterization of dissolved organic matter (DOM) along a river to ocean transect of the lower Chesapeake Bay by ultrahigh resolution electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry","volume":"110","author":"RL Sleighter","year":"2008","journal-title":"Mar Chem"},{"issue":"4","key":"pcbi.1007654.ref011","doi-asserted-by":"crossref","first-page":"547","DOI":"10.2166\/ws.2014.006","article-title":"Molecular characterization of dissolved organic matter in various urban water resources using Orbitrap Fourier transform mass spectrometry","volume":"14","author":"M Urai","year":"2014","journal-title":"Water Sci Tech-W Sup"},{"issue":"3","key":"pcbi.1007654.ref012","doi-asserted-by":"crossref","first-page":"1365","DOI":"10.1021\/acs.est.7b04445","article-title":"Linking Natural Oil Seeps from the Gulf of Mexico to Their Origin by Use of Fourier Transform Ion Cyclotron Resonance Mass Spectrometry","volume":"52","author":"LC Krajewski","year":"2018","journal-title":"Environ Sci Technol"},{"issue":"12","key":"pcbi.1007654.ref013","doi-asserted-by":"crossref","first-page":"5710","DOI":"10.1021\/jf0108516","article-title":"Electrospray ionization Fourier transform mass spectrometric analysis of wine","volume":"49","author":"HJ Cooper","year":"2001","journal-title":"J Agr Food Chem"},{"issue":"1","key":"pcbi.1007654.ref014","doi-asserted-by":"crossref","first-page":"98","DOI":"10.1016\/j.foodres.2012.11.027","article-title":"Whisky analysis by electrospray ionization-Fourier transform mass spectrometry","volume":"51","author":"JS Garcia","year":"2013","journal-title":"Food Res Int"},{"issue":"1","key":"pcbi.1007654.ref015","doi-asserted-by":"crossref","first-page":"200","DOI":"10.1007\/s13361-016-1513-y","article-title":"Chemical Diversity and Complexity of Scotch Whisky as Revealed by High-Resolution Mass Spectrometry","volume":"28","author":"W Kew","year":"2017","journal-title":"J Am Soc Mass Spectr"},{"key":"pcbi.1007654.ref016","unstructured":"Riches E, Corilo YE, Rodgers RP, O\u2019Leary MJ, Stevens D, editors. ION MOBILITY & PETROORG SOFTWARE: NOVEL TECHNIQUES FOR PETROLEOMICS INVESTIGATIONS. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY; 2015: AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA."},{"issue":"23","key":"pcbi.1007654.ref017","doi-asserted-by":"crossref","first-page":"12659","DOI":"10.1021\/acs.analchem.7b03318","article-title":"Formularity: Software for Automated Formula Assignment of Natural and Other Organic Matter from Ultrahigh-Resolution Mass Spectra","volume":"89","author":"N Tolic","year":"2017","journal-title":"Anal Chem"},{"issue":"7","key":"pcbi.1007654.ref018","doi-asserted-by":"crossref","first-page":"658","DOI":"10.1002\/rcm.7823","article-title":"Interactive van Krevelen diagrams\u2014Advanced visualisation of mass spectrometry data of complex mixtures","volume":"31","author":"W Kew","year":"2017","journal-title":"Rapid Commun Mass Sp"},{"issue":"2","key":"pcbi.1007654.ref019","doi-asserted-by":"crossref","first-page":"193","DOI":"10.1002\/rcm.8315","article-title":"UltraMassExplorer: a browser-based application for the evaluation of high-resolution mass spectrometric data","volume":"33","author":"T Leefmann","year":"2019","journal-title":"Rapid Commun Mass Sp"},{"issue":"5","key":"pcbi.1007654.ref020","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1002\/rcm.2386","article-title":"From mass to structure: an aromaticity index for high-resolution mass data of natural organic matter","volume":"20","author":"BP Koch","year":"2006","journal-title":"Rapid Commun Mass Sp"},{"issue":"1","key":"pcbi.1007654.ref021","doi-asserted-by":"crossref","first-page":"250","DOI":"10.1002\/rcm.7433","article-title":"From mass to structure: an aromaticity index for high-resolution mass data of natural organic matter (vol 20, pg 926, 2006)","volume":"30","author":"BP Koch","year":"2016","journal-title":"Rapid Commun Mass Sp"},{"issue":"8","key":"pcbi.1007654.ref022","doi-asserted-by":"crossref","first-page":"2030","DOI":"10.1016\/j.gca.2011.01.020","article-title":"Degradation of natural organic matter: A thermodynamic analysis","volume":"75","author":"DE LaRowe","year":"2011","journal-title":"Geochim Cosmochim Ac"},{"issue":"20","key":"pcbi.1007654.ref023","doi-asserted-by":"crossref","first-page":"5336","DOI":"10.1021\/ac034415p","article-title":"Graphical method for analysis of ultrahigh-resolution broadband mass spectra of natural organic matter, the van Krevelen diagram","volume":"75","author":"S Kim","year":"2003","journal-title":"Anal Chem"},{"issue":"10","key":"pcbi.1007654.ref024","doi-asserted-by":"crossref","first-page":"6152","DOI":"10.1021\/acs.analchem.8b00529","article-title":"Moving beyond the van Krevelen Diagram: A New Stoichiometric Approach for Compound Classification in Organisms","volume":"90","author":"A Rivas-Ubach","year":"2018","journal-title":"Anal Chem"},{"issue":"D1","key":"pcbi.1007654.ref025","doi-asserted-by":"crossref","first-page":"D471","DOI":"10.1093\/nar\/gkv1164","article-title":"The MetaCyc database of metabolic pathways and enzymes and the BioCyc collection of pathway\/genome databases","volume":"44","author":"R Caspi","year":"2016","journal-title":"Nucleic Acids Res"},{"key":"pcbi.1007654.ref026","article-title":"plotly: Create Interactive Web Graphics via \u2018plotly. js","author":"C Sievert","year":"2017","journal-title":"\u2019R package version 4.7. 1"},{"issue":"19","key":"pcbi.1007654.ref027","doi-asserted-by":"crossref","first-page":"3661","DOI":"10.1002\/sim.2832","article-title":"Chi\u2010squared and Fisher\u2013Irwin tests of two\u2010by\u2010two tables with small sample recommendations","volume":"26","author":"I Campbell","year":"2007","journal-title":"Statistics in medicine"},{"key":"pcbi.1007654.ref028","doi-asserted-by":"crossref","unstructured":"Hafen R, Gosink L, McDermott J, Rodland K, Kleese-Van Dam K, Cleveland WS, editors. Trelliscope: A system for detailed visualization in the deep analysis of large complex data. Large-Scale Data Analysis and Visualization (LDAV), 2013 IEEE Symposium on; 2013: IEEE.","DOI":"10.1109\/LDAV.2013.6675164"},{"key":"pcbi.1007654.ref029","doi-asserted-by":"crossref","first-page":"344","DOI":"10.1016\/j.agee.2015.10.018","article-title":"Comparative productivity of alternative cellulosic bioenergy cropping systems in the North Central USA","volume":"216","author":"GR Sanford","year":"2016","journal-title":"Agr Ecosyst Environ"}],"updated-by":[{"DOI":"10.1371\/journal.pcbi.1007654","type":"new_version","label":"New version","source":"publisher","updated":{"date-parts":[[2020,3,26]],"date-time":"2020-03-26T00:00:00Z","timestamp":1585180800000}}],"container-title":["PLOS Computational Biology"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/dx.plos.org\/10.1371\/journal.pcbi.1007654","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2020,3,26]],"date-time":"2020-03-26T17:45:05Z","timestamp":1585244705000},"score":1,"resource":{"primary":{"URL":"https:\/\/dx.plos.org\/10.1371\/journal.pcbi.1007654"}},"subtitle":[],"editor":[{"given":"Dina","family":"Schneidman-Duhovny","sequence":"first","affiliation":[]}],"short-title":[],"issued":{"date-parts":[[2020,3,16]]},"references-count":29,"journal-issue":{"issue":"3","published-online":{"date-parts":[[2020,3,16]]}},"URL":"https:\/\/doi.org\/10.1371\/journal.pcbi.1007654","relation":{"new_version":[{"id-type":"doi","id":"10.1371\/journal.pcbi.1007654","asserted-by":"object"}]},"ISSN":["1553-7358"],"issn-type":[{"value":"1553-7358","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,3,16]]}}}