{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,4]],"date-time":"2026-07-04T18:18:16Z","timestamp":1783189096508,"version":"3.54.6"},"reference-count":33,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,1,1]],"date-time":"2026-01-01T00:00:00Z","timestamp":1767225600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,1,1]],"date-time":"2026-01-01T00:00:00Z","timestamp":1767225600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2025,9,25]],"date-time":"2025-09-25T00:00:00Z","timestamp":1758758400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100010890","name":"Chinese Government Scholarship","doi-asserted-by":"publisher","award":["201906910062"],"award-info":[{"award-number":["201906910062"]}],"id":[{"id":"10.13039\/501100010890","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100023510","name":"University of Zurich Foundation","doi-asserted-by":"publisher","award":["FK-20-091"],"award-info":[{"award-number":["FK-20-091"]}],"id":[{"id":"10.13039\/501100023510","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002860","name":"China Sponsorship Council","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100002860","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Journal of Pharmaceutical and Biomedical Analysis"],"published-print":{"date-parts":[[2026,1]]},"DOI":"10.1016\/j.jpba.2025.117158","type":"journal-article","created":{"date-parts":[[2025,9,23]],"date-time":"2025-09-23T09:34:31Z","timestamp":1758620071000},"page":"117158","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":2,"special_numbering":"C","title":["Discovery of chemical markers for maidong (roots of Ophiopogon japonicus and Liriope spicata): A feature-based molecular networking approach"],"prefix":"10.1016","volume":"267","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1281-7136","authenticated-orcid":false,"given":"Feiyi","family":"Lei","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3548-3594","authenticated-orcid":false,"given":"Laurent","family":"Bigler","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Caroline","family":"Weckerle","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Luiz Leonardo","family":"Saldanha","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.jpba.2025.117158_bib1","series-title":"Chinese Pharmacopoeia","author":"Chinese Pharmacopoeia Commission","year":"2020"},{"key":"10.1016\/j.jpba.2025.117158_bib2","doi-asserted-by":"crossref","DOI":"10.3389\/fphar.2021.769929","article-title":"Liriopogons (Genera Ophiopogon and Liriope, Asparagaceae): a critical review of the phytochemical and pharmacological research","volume":"12","author":"Lei","year":"2021","journal-title":"Front. Pharmacol."},{"key":"10.1016\/j.jpba.2025.117158_bib3","series-title":"Shennong\u2019s Canon on Materia Medica","author":"Huang","year":"1982"},{"key":"10.1016\/j.jpba.2025.117158_bib4","doi-asserted-by":"crossref","DOI":"10.1016\/j.phymed.2022.154433","article-title":"Shengmai San-derived compound prescriptions: a review on chemical constituents, pharmacokinetic studies, quality control, and pharmacological properties","volume":"107","author":"Ouyang","year":"2022","journal-title":"Phytomedicine"},{"key":"10.1016\/j.jpba.2025.117158_bib5","doi-asserted-by":"crossref","DOI":"10.1016\/j.jpba.2024.115990","article-title":"Quality variation of maidong (ophiopogon japonicus and liriope spicata) \u2013 a HPTLC-based approach","volume":"241","author":"Lei","year":"2024","journal-title":"J. Pharm. Biomed. Anal."},{"key":"10.1016\/j.jpba.2025.117158_bib6","first-page":"1056","article-title":"Plant metabolomics: from holistic data to relevant biomarkers","volume":"20","author":"Wolfender","year":"2013","journal-title":"Curr. Med. Chem."},{"key":"10.1016\/j.jpba.2025.117158_bib7","unstructured":"Council of Europe, European Pharmacopoeia, eleventh ed., Strasbourg, 2023."},{"key":"10.1016\/j.jpba.2025.117158_bib8","series-title":"Hong Kong Chinese Materia Medica Standards","author":"Hong Kong Department of Health","year":"2010"},{"key":"10.1016\/j.jpba.2025.117158_bib9","doi-asserted-by":"crossref","first-page":"120","DOI":"10.1080\/10826076.2022.2159977","article-title":"Characterization of quality differences of ophiopogonis radix from different origins by TLC, HPLC, UHPLC-MS and multivariate statistical analyses","volume":"45","author":"Jiang","year":"2022","journal-title":"J. Liq. Chromatogr. Relat. Technol."},{"key":"10.1016\/j.jpba.2025.117158_bib10","doi-asserted-by":"crossref","first-page":"757","DOI":"10.1016\/j.jpba.2010.02.016","article-title":"Characterization of homoisoflavonoids in different cultivation regions of ophiopogon japonicus and related antioxidant activity","volume":"52","author":"Lin","year":"2010","journal-title":"J. Pharm. Biomed. Anal."},{"key":"10.1016\/j.jpba.2025.117158_bib11","first-page":"2020","article-title":"Evaluation of the effects of paclobutrazol and cultivation years on saponins in Ophiopogon japonicus using UPLC-ELSD","volume":"1","author":"Sun","year":"2020","journal-title":"Int. J. Anal. Chem."},{"key":"10.1016\/j.jpba.2025.117158_bib12","doi-asserted-by":"crossref","first-page":"3220","DOI":"10.3390\/molecules24183220","article-title":"Quality evaluation of ophiopogonis radix from two different producing areas","volume":"24","author":"Tan","year":"2019","journal-title":"Molecules"},{"key":"10.1016\/j.jpba.2025.117158_bib13","doi-asserted-by":"crossref","first-page":"0054","DOI":"10.1038\/s41570-017-0054","article-title":"Global chemical analysis of biology by mass spectrometry","volume":"1","author":"Aksenov","year":"2017","journal-title":"Nat. Rev. Chem."},{"key":"10.1016\/j.jpba.2025.117158_bib14","doi-asserted-by":"crossref","DOI":"10.3389\/fphar.2020.578346","article-title":"A mass spectrometry based metabolite profiling workflow for selecting abundant specific markers and their structurally related multi-component signatures in traditional Chinese Medicine multi-herb formulae","volume":"11","author":"Houriet","year":"2020","journal-title":"Front. Pharmacol."},{"key":"10.1016\/j.jpba.2025.117158_bib15","doi-asserted-by":"crossref","first-page":"905","DOI":"10.1038\/s41592-020-0933-6","article-title":"Feature-based molecular networking in the GNPS analysis environment","volume":"17","author":"Nothias","year":"2020","journal-title":"Nat. Methods"},{"key":"10.1016\/j.jpba.2025.117158_bib16","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pcbi.1006089","article-title":"Propagating annotations of molecular networks using in silico fragmentation","volume":"14","author":"da Silva","year":"2018","journal-title":"PLoS Comput. Biol."},{"key":"10.1016\/j.jpba.2025.117158_bib17","doi-asserted-by":"crossref","first-page":"317","DOI":"10.1093\/bioinformatics\/btx582","article-title":"Ms2lda. org: web-based topic modelling for substructure discovery in mass spectrometry","volume":"34","author":"Wandy","year":"2018","journal-title":"Bioinformatics"},{"key":"10.1016\/j.jpba.2025.117158_bib18","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1016\/j.eng.2018.12.005","article-title":"Deeper chemical perceptions for better traditional Chinese Medicine standards","volume":"5","author":"Hou","year":"2019","journal-title":"Engineering"},{"key":"10.1016\/j.jpba.2025.117158_bib19","doi-asserted-by":"crossref","first-page":"3317","DOI":"10.1021\/acs.analchem.5b04804","article-title":"Integration of molecular networking and in-silico MS\/MS fragmentation for natural products dereplication","volume":"88","author":"Allard","year":"2016","journal-title":"Anal. Chem."},{"key":"10.1016\/j.jpba.2025.117158_bib20","doi-asserted-by":"crossref","first-page":"1329","DOI":"10.3389\/fpls.2019.01329","article-title":"Taxonomically informed scoring enhances confidence in natural products annotation","volume":"10","author":"Rutz","year":"2019","journal-title":"Front. Plant Sci."},{"key":"10.1016\/j.jpba.2025.117158_bib21","series-title":"Proteomics","first-page":"339","article-title":"Data conversion with ProteoWizard msconvert","author":"Adusumilli","year":"2017"},{"issue":"9","key":"10.1016\/j.jpba.2025.117158_bib22","doi-asserted-by":"crossref","DOI":"10.1038\/s41596-024-00996-y","article-title":"Reproducible mass spectrometry data processing and compound annotation in MZmine 3","volume":"19","author":"Heuckeroth","year":"2024","journal-title":"Nat. Protoc."},{"key":"10.1016\/j.jpba.2025.117158_bib23","doi-asserted-by":"crossref","first-page":"703","DOI":"10.1002\/jms.1777","article-title":"MassBank: a public repository for sharing mass spectral data for life sciences","volume":"45","author":"Horai","year":"2010","journal-title":"J. Mass Spectrom."},{"key":"10.1016\/j.jpba.2025.117158_bib24","doi-asserted-by":"crossref","first-page":"828","DOI":"10.1038\/nbt.3597","article-title":"Sharing and community curation of mass spectrometry data with global natural products social molecular networking","volume":"34","author":"Wang","year":"2016","journal-title":"Nat. Biotechnol."},{"key":"10.1016\/j.jpba.2025.117158_bib25","doi-asserted-by":"crossref","first-page":"144","DOI":"10.3390\/metabo9070144","article-title":"MolNetEnhancer: enhanced molecular networks by integrating metabolome mining and annotation tools","volume":"9","author":"Ernst","year":"2019","journal-title":"Metabolites"},{"key":"10.1016\/j.jpba.2025.117158_bib26","doi-asserted-by":"crossref","first-page":"61","DOI":"10.1186\/s13321-016-0174-y","article-title":"ClassyFire: automated chemical classification with a comprehensive, computable taxonomy","volume":"8","author":"Djoumbou Feunang","year":"2016","journal-title":"J. Chemin.."},{"key":"10.1016\/j.jpba.2025.117158_bib27","doi-asserted-by":"crossref","first-page":"3317","DOI":"10.1021\/acs.analchem.5b04804","article-title":"Integration of molecular networking and In-Silico MS\/MS fragmentation for natural products dereplication","volume":"88","author":"Allard","year":"2016","journal-title":"Anal. Chem."},{"key":"10.1016\/j.jpba.2025.117158_bib28","doi-asserted-by":"crossref","first-page":"180","DOI":"10.1002\/wics.147","article-title":"ggplot2","volume":"3","author":"Wickham","year":"2011","journal-title":"WIREs Comput. Stats"},{"key":"10.1016\/j.jpba.2025.117158_bib29","doi-asserted-by":"crossref","first-page":"884","DOI":"10.1002\/mas.20306","article-title":"Mass spectrometry-based holistic analytical approaches for metabolite profiling in systems biology studies","volume":"30","author":"Theodoridis","year":"2011","journal-title":"Mass Spectrom. Rev."},{"key":"10.1016\/j.jpba.2025.117158_bib30","doi-asserted-by":"crossref","DOI":"10.7554\/eLife.70780","article-title":"The LOTUS initiative for open knowledge management in natural products research","volume":"11","author":"Rutz","year":"2022","journal-title":"Elife"},{"key":"10.1016\/j.jpba.2025.117158_bib31","doi-asserted-by":"crossref","first-page":"2097","DOI":"10.1021\/es5002105","article-title":"Identifying small molecules via high resolution mass spectrometry: communicating confidence","volume":"48","author":"Schymanski","year":"2014","journal-title":"Environ. Sci. Technol."},{"key":"10.1016\/j.jpba.2025.117158_bib32","doi-asserted-by":"crossref","first-page":"1045","DOI":"10.3390\/molecules28031045","article-title":"Comparison of ophiopogon japonicus and liriope spicata var. Prolifera from different origins based on Multi-Component quantification and anticancer activity","volume":"28","author":"Chen","year":"2023","journal-title":"Molecules"},{"key":"10.1016\/j.jpba.2025.117158_bib33","doi-asserted-by":"crossref","first-page":"100","DOI":"10.1016\/j.ctim.2011.09.004","article-title":"Quality of herbal medicines: challenges and solutions","volume":"20","author":"Zhang","year":"2012","journal-title":"Complement. Ther. Med."}],"container-title":["Journal of Pharmaceutical and Biomedical Analysis"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0731708525004996?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0731708525004996?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,3,10]],"date-time":"2026-03-10T10:02:57Z","timestamp":1773136977000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0731708525004996"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,1]]},"references-count":33,"alternative-id":["S0731708525004996"],"URL":"https:\/\/doi.org\/10.1016\/j.jpba.2025.117158","relation":{},"ISSN":["0731-7085"],"issn-type":[{"value":"0731-7085","type":"print"}],"subject":[],"published":{"date-parts":[[2026,1]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Discovery of chemical markers for maidong (roots of Ophiopogon japonicus and Liriope spicata): A feature-based molecular networking approach","name":"articletitle","label":"Article Title"},{"value":"Journal of Pharmaceutical and Biomedical Analysis","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.jpba.2025.117158","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2025 The Authors. Published by Elsevier B.V.","name":"copyright","label":"Copyright"}],"article-number":"117158"}}