A metabologenomics strategy for rapid discovery of polyketides derived from modular polyketide synthases

Run-Zhou Liu, Zhihan Zhang, Min Li and Lihan Zhang

Chem. Sci., 2025, 16, 1696
DOI: 10.1039/D4SC04174G

Isolation and characterization of novel degradation products in fenoverine by LC-QTOF-MS/MS, LC-MSn and 2D-NMR

Ch Krishnam Raju, J. V. Shanmukha Kumar, Kada Yesudas and Sanath Kumar Goud Palusa

New J. Chem., 2024, 48, 9589
DOI: 10.1039/D3NJ05623F

Mass spectrometry-based metabolomics approaches to interrogate host–microbiome interactions in mammalian systems

Atharva S. Kulkarni, Guilherme M. P. Carrara, Jiangpeiyun Jin, Jarrod Laro, Thilini Peramuna, Laura-Isobel McCall and Neha Garg

Nat. Prod. Rep., 2026
DOI: 10.1039/D5NP00021A

An integrative omics perspective for the analysis of chemical signals in ecological interactions

A. E. Brunetti, F. Carnevale Neto, M. C. Vera, C. Taboada, D. P. Pavarini, A. Bauermeister and N. P. Lopes

Chem. Soc. Rev., 2018, 47, 1574
DOI: 10.1039/C7CS00368D

Tipping the balance: theoretical interrogation of divergent extended heterolytic fragmentations

Croix J. Laconsay, Ka Yi Tsui and Dean J. Tantillo

Chem. Sci., 2020, 11, 2231
DOI: 10.1039/C9SC05161A

Identification and characterization of degradation products of Remdesivir using liquid chromatography/mass spectrometry

S Babu Dadinaboyina, Naga Veera Yerra, Bala Manikantha Adimoolam, Sivaramakrishna Parsa, Nagendra Babu Bathini and Jagadeshwar Reddy Thota

New J. Chem., 2021, 45, 7217
DOI: 10.1039/D1NJ00160D

LC-MS/DIA-based strategy for comprehensive flavonoid profiling: an Ocotea spp. applicability case

Matheus Fernandes Alves, Albert Katchborian-Neto, Paula Carolina Pires Bueno, Fausto Carnevale-Neto, Rosana Casoti, Miller Santos Ferreira, Michael Murgu, Ana Claudia Chagas de Paula, Danielle Ferreira Dias, Marisi Gomes Soares and Daniela Aparecida Chagas-Paula

RSC Adv., 2024, 14, 10481
DOI: 10.1039/D4RA01384K

Green synthesis of α-aminophosphonates: from hydrogen-bonded Janus dimers to pharmaceutical potential

Rawda Kholany, Alaa A. Mardini, Ksenia S. Shakirova, Daut R. Islamov, Alexander V. Gerasimov, Alexander E. Klimovitskii, Alena A. Vavilova, Olga A. Mostovaya, Asiya F. Gazizova and Ivan I. Stoikov

Org. Biomol. Chem., 2026, 24, 447
DOI: 10.1039/D5OB01712B

Thermal stability of trihexyl(tetradecyl)phosphonium chloride

Clio Deferm, Arne Van den Bossche, Jan Luyten, Harald Oosterhof, Jan Fransaer and Koen Binnemans

Phys. Chem. Chem. Phys., 2018, 20, 2444
DOI: 10.1039/C7CP08556G

Phenoxazinone synthase-like catalytic activity of novel mono- and tetranuclear copper(ii) complexes with 2-benzylaminoethanol

Oksana V. Nesterova, Olena E. Bondarenko, Armando J. L. Pombeiro and Dmytro S. Nesterov

Dalton Trans., 2020, 49, 4710
DOI: 10.1039/D0DT00222D

GlyConnect-Ugi: site-selective, multi-component glycoprotein conjugations through GlycoDelete expressed glycans

Karel Thooft, Wander Van Breedam, Francis Santens, Elise Wyseure, Sandrine Vanmarcke, Simon Devos, Nico Callewaert and Annemieke Madder

Org. Biomol. Chem., 2022, 20, 464
DOI: 10.1039/D1OB02299G

Recent advances and effective strategies in the discovery and applications of natural products

Jing Xie, Ai-hua Zhang, Hui Sun, Guang-li Yan and Xi-jun Wang

RSC Adv., 2018, 8, 812
DOI: 10.1039/C7RA09475B

Mapping the intrinsic absorption properties and photodegradation pathways of the protonated and deprotonated forms of the sunscreen oxybenzone

Natalie G. K. Wong, Jacob A. Berenbeim, Mathew Hawkridge, Edward Matthews and Caroline E. H. Dessent

Phys. Chem. Chem. Phys., 2019, 21, 14311
DOI: 10.1039/C8CP06794E

Compositional analysis of organosolv poplar lignin by using high-performance liquid chromatography/high-resolution multi-stage tandem mass spectrometry

Jifa Zhang, Yuan Jiang, Leah F. Easterling, Anton Anstner, Wanru Li, Kawthar Z. Alzarieni, Xueming Dong, Joseph Bozell and Hilkka I. Kenttämaa

Green Chem., 2021, 23, 983
DOI: 10.1039/D0GC03398G

Deciphering the chemical instability of sphaeropsidin A under physiological conditions – degradation studies and structural elucidation of the major metabolite

Alet E. van der Westhuyzen, Aude Ingels, Rémi Rosière, Karim Amighi, Lukas Oberer, Kirk R. Gustafson, Dongdong Wang, Antonio Evidente, Lucia Maddau, Marco Masi, André de Villiers, Ivan R. Green, Walter Berger, Alexander Kornienko, Veronique Mathieu and Willem A. L. van Otterlo

Org. Biomol. Chem., 2020, 18, 8147
DOI: 10.1039/D0OB01586E

Profiling of in vivo, in vitro and reactive zorifertinib metabolites using liquid chromatography ion trap mass spectrometry

Nasser S. Al-Shakliah, Adnan A. Kadi, Haya I. Aljohar, Haitham AlRabiah and Mohamed W. Attwa

RSC Adv., 2022, 12, 20991
DOI: 10.1039/D2RA02848D

Fruits native to South America: a narrative review of their biological properties and chemical profiles

Ana Sofia Martelli Chaib Saliba, Pedro Luiz Rosalen, Marcelo Franchin, Gustavo Aparecido da Cunha, Alan Giovanini de Oliveira Sartori and Severino Matias de Alencar

Food Funct., 2025, 16, 3774
DOI: 10.1039/D5FO00549C

Structure elucidation of bacterial nonribosomal lipopeptides

Sebastian Götze and Pierre Stallforth

Org. Biomol. Chem., 2020, 18, 1710
DOI: 10.1039/C9OB02539A

Historical mystery solved: a multi-analytical approach to the identification of a key marker for the historical use of brazilwood (Caesalpinia spp.) in paintings and textiles

David A. Peggie, Jo Kirby, Jennifer Poulin, Wim Genuit, Julija Romanuka, David F. Wills, Alessio De Simone and Alison N. Hulme

Anal. Methods, 2018, 10, 617
DOI: 10.1039/C7AY02626A

Sensitivity of VCD spectroscopy for small structural and stereochemical changes of macrolide antibiotics

Daniel P. Demarque, Sascha Heinrich, Frank Schulz and Christian Merten

Chem. Commun., 2020, 56, 10926
DOI: 10.1039/D0CC03838E

Nanoparticle‐Assisted Cation Adduction and Fragmentation of Small Metabolites

Shiyu Sun, Wanshan Liu, Jing Yang, Hang Wang and Kun Qian

Angew Chem Int Ed, 2021, 60, 11310
DOI: 10.1002/anie.202100734

Distribution of flavonoids and other phenolics in Mikania species (Compositae) of Brazil

Luís Guilherme Pereira Feitosa, Marcelo Monge, Norberto Peporine Lopes and Dionéia Camilo Rodrigues de Oliveira

Biochemical Systematics and Ecology, 2021, 97, 104273
DOI: 10.1016/j.bse.2021.104273

Pharmacokinetic disposition of erythraline in rats after intravenous administration

Daniel P. Demarque, Daniel R. Callejon, Larissa G. Pinto, Dayana R. Gouvea, Natália V. de Moraes, João L.C. Lopes, José N.C. Lopes, Norberto P. Lopes and Thais Guaratini

Revista Brasileira de Farmacognosia, 2019, 29, 773
DOI: 10.1016/j.bjp.2019.07.002

Re‐investigation of the fragmentation of protonated carotenoids by electrospray ionization and nanospray tandem mass spectrometry

Fausto Carnevale Neto, Thais Guaratini, Letícia Costa‐Lotufo, Pio Colepicolo, Paul J. Gates and Norberto Peporine Lopes

Rapid Comm Mass Spectrometry, 2016, 30, 1540
DOI: 10.1002/rcm.7589

Unveiling Antimony-Oxo Organic Complexes in Microorganisms Using Nontargeted High-Resolution Mass Spectrometry

Zhipeng Yin, Jianwei Li, Jianbo Shi, Yong Cai and Guibin Jiang

Environ. Sci. Technol. Lett., 2025, 12, 718
DOI: 10.1021/acs.estlett.5c00238

Characterization of stress degradation products of nintedanib by UPLC, UHPLC-Q-TOF/MS/MS and NMR: Evidence of a degradation product with a structure alert for mutagenicity

Vivek Dhiman, Ankit Balhara, Saranjit Singh, Shristy Tiwari, Samanthula Gananadhamu and M.V.N. Kumar Talluri

Journal of Pharmaceutical and Biomedical Analysis, 2021, 199, 114037
DOI: 10.1016/j.jpba.2021.114037

Top‐down lignomic matrix‐assisted laser desorption/ionization time‐of‐flight tandem mass spectrometry analysis of lignin oligomers extracted from date palm wood

Tasahil Albishi, Abanoub Mikhael, Fereidoon Shahidi, Travis D. Fridgen, Michel Delmas and Joseph Banoub

Rapid Comm Mass Spectrometry, 2019, 33, 539
DOI: 10.1002/rcm.8368

Structural elucidation of 14‐membered ring macrolide antibiotics using electrospray ionization tandem mass spectrometry and density functional theory calculations

Fausto Carnevale Neto and Ricardo Vessecchi

Rapid Comm Mass Spectrometry, 2024, 38
DOI: 10.1002/rcm.9913

A Brief Study of Mass Spectrometry of Natural Products

Insha Ur Rehman, Lubna Malik, Saima Zaheer and Muhammad Abdullah

Plant Biotechnol Persa, 2022, 4, 50
DOI: 10.52547/pbp.4.1.7

Microwave-Assisted Sol–Gel Preparation of the Nanostructured Magnetic System for Solid-Phase Synthesis

Daniela Istrati, Alina Moroșan, Raluca Stan, Bogdan Ștefan Vasile, Gabriel Vasilievici, Ovidiu Oprea, Georgiana Dolete, Bogdan Purcăreanu and Dan Eduard Mihaiescu

Nanomaterials, 2021, 11, 3176
DOI: 10.3390/nano11123176

NanoLC-EI-MS: Perspectives in Biochemical Analysis

Natalia Gabrielly Pereira dos Santos, Edvaldo Vasconcelos Soares Maciel, Deyber Arley Vargas Medina and Fernando Mauro Lanças

IJMS, 2023, 24, 11746
DOI: 10.3390/ijms241411746

Comprehensive metabolomics of Philippine Stichopus cf. horrens reveals diverse classes of valuable small molecules for biomedical applications

Vicenzo Paolo M. Torreno, Ralph John Emerson J. Molino, Hiyas A. Junio, Eizadora T. Yu and Anil Bhatia

PLoS ONE, 2023, 18, e0294535
DOI: 10.1371/journal.pone.0294535

Phytochemical investigation of Commiphora stocksiana (Engl.) Engl. and its comparative metabolomic study with Commiphora wightii (Arn.) Bhandari. Using HPLC-MS-Qtof

Shivani Bhati and Aruna Joshi

Biochemical Systematics and Ecology, 2026, 124, 105122
DOI: 10.1016/j.bse.2025.105122

Aromatic Chemical Constituent of Chimonanthus Nitens Oliv Leaf Profiling by Uhplc-Q/Tof-Ms and Bioactive Material Basis Investigation

Mailing Zou, Shanzheng Yang, Zhouyang He, Yongping Wang, Yihao Jiang, Weiran Yang and Jinlong Chen

SSRN Journal, 2022
DOI: 10.2139/ssrn.4047732

Discovery of Homogentisic Acid as a Precursor in Trimethoprim Metabolism and Natural Product Biosynthesis

Andrew C. McAvoy, Paxton H. Threatt, Joseph Kapcia and Neha Garg

ACS Chem. Biol., 2023, 18, 711
DOI: 10.1021/acschembio.2c00529

Power of Ultra Performance Liquid Chromatography/Electrospray Ionization-MS Reconstructed Ion Chromatograms in the Characterization of Small Differences in Polymer Microstructure

Ruben Epping, Ulrich Panne and Jana Falkenhagen

Anal. Chem., 2018, 90, 3467
DOI: 10.1021/acs.analchem.7b05214

Mass Spectrometry for Investigation of Natural Dyes in Historical Textiles: Unveiling the Mystery behind Safflower-Dyed Fibers

Katarzyna Lech, Jakub Nawała and Stanisław Popiel

J. Am. Soc. Mass Spectrom., 2021, 32, 2552
DOI: 10.1021/jasms.1c00195

Cross ionization mode chemical similarity prediction between tandem mass spectra in metabolomics

Niek F. de Jonge, Elena Chekmeneva, Robin Schmid, David Joas, Lem-Joe Truong, Justin J. J. van der Hooft and Florian Huber

Nat Commun, 2026, 17
DOI: 10.1038/s41467-026-69083-y

Development, validation and application of a selective and sensitive LC-MS/MS method for the quantification of daptomycin in a suspension of Mammaliicoccus sciuri in Mueller-Hinton broth

Lukas Kirchner, Tessa Marciniak, Wilma Ziebuhr, Oliver Scherf-Clavel and Ulrike Holzgrabe

Journal of Pharmaceutical and Biomedical Analysis, 2023, 227, 115293
DOI: 10.1016/j.jpba.2023.115293

Synergistic O 3 + OH oxidation pathway to extremely low-volatility dimers revealed in β-pinene secondary organic aerosol

Christopher M. Kenseth, Yuanlong Huang, Ran Zhao, Nathan F. Dalleska, J. Caleb Hethcox, Brian M. Stoltz and John H. Seinfeld

Proc. Natl. Acad. Sci. U.S.A., 2018, 115, 8301
DOI: 10.1073/pnas.1804671115

Chemical secondary metabolite profiling of Bauhinia longifolia ethanolic leaves extracts

Amanda J. Aquino, Thayana da C. Alves, Regina V. Oliveira, Antonio G. Ferreira and Quezia B. Cass

Industrial Crops and Products, 2019, 132, 59
DOI: 10.1016/j.indcrop.2019.01.040

Characterization of the fragmentation mechanisms in electrospray ionization tandem mass spectrometry of chloroquinoline derivatives with larvicidal activity against Aedes aegypti

Rodrigo Moreira da Silva, Jéssica Guastalli Barbieri, Valter Eduardo Murie, Maíra Rosato Silveira Silvério, Rafael Augusto Soldi, Lorena Carneiro Albernaz, Laila Salmen Espindola, Paulo Cézar Vieira, Giuliano Cesar Clososki, Ricardo Vessecchi and Norberto Peporine Lopes

Rapid Comm Mass Spectrometry, 2024, 38
DOI: 10.1002/rcm.9739

Identification of Secondary Metabolites from the Lichen Hypotrachyna enderythraea (Zahlbr.) Hale by HPLC-ESI-MS/MS

Fernando Carrasco, Wilfredo Hernández, Nino Castro, Nelly Sivipaucar, Bruno Bongiorno, Oscar Chupayo, Cesar Raposo, Lúcia A. Silva, Jesus M. Rodilla, Eduardo Carrasco and Juan Z. Dávalos

Molecules, 2026, 31, 954
DOI: 10.3390/molecules31060954

Goniodomic Acid, a Transient Oxirane Intermediate in the Conversion of the Macrolide Algal Toxin Goniodomin A to Seco Acids

Constance M. Harris, Bernd Krock and Thomas M. Harris

Chem. Res. Toxicol., 2025, 38, 163
DOI: 10.1021/acs.chemrestox.4c00390

Topical gel containing phenolic-rich extract from Ipomoea pes-capre leaf (Convolvulaceae) has anti-inflammatory, wound healing, and antiophidic properties

Jacinthia Beatriz Xavier-Santos, Júlia Gabriela Ramos Passos, Jacyra Antunes Santos Gomes, Joelly Vilaine Cavalcante Cruz, Jovelina Samara Ferreira Alves, Vinícius Barreto Garcia, Rodrigo Moreira da Silva, Norberto Peporine Lopes, Raimundo Fernandes Araujo-Junior, Silvana Maria Zucolotto, Arnóbio Antônio Silva-Junior, Juliana Félix-Silva and Matheus Freitas Fernandes-Pedrosa

Biomedicine & Pharmacotherapy, 2022, 149, 112921
DOI: 10.1016/j.biopha.2022.112921

Stability studies of glycopyrronium bromide and in vitro toxicity evaluation of its major transformation products by LC-MS/MS and NMR

Bala Manikantha Adimoolam, Aruna Jangam, S Babu Dadinaboyina, Srinivas Ragampeta and Jagadeshwar Reddy Thota

Eur J Mass Spectrom (Chichester), 2025, 31, 79
DOI: 10.1177/14690667251339714

Cool flame of methylcyclohexene isomers in a JSR: Formation of aromatic and polyunsaturated hydrocarbons

Zahraa Dbouk, Roland Benoit, Bakr Hoblos, Nesrine Belhadj and Philippe Dagaut

Fuel, 2025, 381, 133644
DOI: 10.1016/j.fuel.2024.133644

Quantum Chemistry‐based Molecular Dynamics Simulations as a Tool for the Assignment of ESI‐MS/MS Spectra of Drug Molecules

Romina Schnegotzki, Jeroen Koopman, Stefan Grimme and Roderich D. Süssmuth

Chemistry A European J, 2022, 28
DOI: 10.1002/chem.202200318

Anti‐Inflammatory Markers of Hops Cultivars (Humulus lupulus L.) Evaluated by Untargeted Metabolomics Strategy

Karen de Jesus Nicácio, Miller Santos Ferreira, Albert Katchborian‐Neto, Milbya Lima Costa, Michael Murgu, Danielle Ferreira Dias, Marisi Gomes Soares and Daniela Aparecida Chagas‐Paula

Chemistry & Biodiversity, 2022, 19
DOI: 10.1002/cbdv.202100966

Tandem MS Elucidation of the Late-Stage Degradation Mechanism of Nitroplasticizer

Kitmin Chen and Dali Yang

ACS Omega, 2024
DOI: 10.1021/acsomega.4c04923

Diagnostic MS/MS fragmentation patterns for the discrimination between Schiff bases and their Amadori or Heyns rearrangement products

Haoran Xing, Valeri V. Mossine and Varoujan Yaylayan

Carbohydrate Research, 2020, 491, 107985
DOI: 10.1016/j.carres.2020.107985

Optimization of a method to detect levothyroxine and related compounds in serum and urine by liquid chromatography coupled to triple quadrupole mass spectrometry

Dayamin Martínez_Brito, Patrizia Leogrande, Xavier de la Torre and Francesco Botrè

Journal of Pharmacological and Toxicological Methods, 2022, 115, 107169
DOI: 10.1016/j.vascn.2022.107169

Combining Chemical Knowledge and Quantum Calculation for Interpreting Low-Energy Product Ion Spectra of Metabolite Adduct Ions: Sodiated Diterpene Diester Species as a Case Study

Jean-Claude Tabet, Yves Gimbert, Annelaure Damont, David Touboul, François Fenaille and Amina S. Woods

J. Am. Soc. Mass Spectrom., 2021, 32, 2499
DOI: 10.1021/jasms.1c00154

Establishment of a UPLC-PDA/ESI-Q-TOF/MS-Based Approach for the Simultaneous Analysis of Multiple Phenolic Compounds in Amaranth (A. cruentus and A. tricolor)

Won Tea Jeong, Jun-Hyoung Bang, Seahee Han, Tae Kyung Hyun, Hyunwoo Cho, Heung Bin Lim and Jong-Wook Chung

Molecules, 2020, 25, 5674
DOI: 10.3390/molecules25235674

Illuminating the lineage-specific diversification of resin glycoside acylsugars in the morning glory (Convolvulaceae) family using computational metabolomics

Lars H Kruse, Alexandra A Bennett, Elizabeth H Mahood, Elena Lazarus, Se Jin Park, Frank Schroeder and Gaurav D Moghe

Horticulture Research, 2022, 9
DOI: 10.1093/hr/uhab079

Electron‐ion reaction‐based dissociation: A powerful ion activation method for the elucidation of natural product structures

Xiangfeng Chen, Ze Wang, Y.‐L. Elaine Wong, Ri Wu, Feng Zhang and T.‐W. Dominic Chan

Mass Spectrometry Reviews, 2018, 37, 793
DOI: 10.1002/mas.21563

Unveiling Valuable Secondary Metabolites from the Bioconversion of Banana (Musa balbisiana) Peel-Derived Biomass with Aspergillus niger. Metabolomic Insights into the Chemical Profiles

Jhuly Wellen Ferreira Lacerda, Giovanna Amaral Filipe, Lucas Pradi, Tatiane de Andrade Maranhão, Diogo Robl and Louis Pergaud Sandjo

ACS Omega, 2026, 11, 6084
DOI: 10.1021/acsomega.5c10614

Metabolite profiling and cross-species differentiation of 8α-tigloyloxyhirsutinolide-13-O-acetate metabolism using molecular networking and multivariate analysis

Qinghe Qu, Huijun Liang, Dongli Li and Kin Yip Ham

Microchemical Journal, 2026, 221, 117049
DOI: 10.1016/j.microc.2026.117049

Reliable quantification of citrate isomers and isobars with direct-infusion tandem mass spectrometry

Qingyu Hu, Yuting Sun, Xiyan Mu, Yulan Wang and Huiru Tang

Talanta, 2023, 259, 124477
DOI: 10.1016/j.talanta.2023.124477

Application of UHPLC-ESI-MS/MS to Identify Free Radicals via Spin Trapping with BMPO

Lena Gerritz, Véronique Perraud, Kathryn M. Weber, Manabu Shiraiwa and Sergey A. Nizkorodov

J. Phys. Chem. A, 2024, 128, 10240
DOI: 10.1021/acs.jpca.4c05311

The global profiling of alkaloids in Aconitum stapfianum and analysis of detoxification material basis against Fuzi

Sisi Liu, Changjiangsheng Lai, Yihong Long, Weiran Yang, Qi Ren, Luqi Huang and Jinlong Chen

Journal of Chromatography A, 2021, 1652, 462362
DOI: 10.1016/j.chroma.2021.462362

Real Time Monitoring of the Dynamic Intracluster Diffusion of Single Gold Atoms into Silver Nanoclusters

Kaiyuan Zheng, Victor Fung, Xun Yuan, De-en Jiang and Jianping Xie

J. Am. Chem. Soc., 2019, 141, 18977
DOI: 10.1021/jacs.9b05776

Accurate Identification of Bioactive Meliaceae Limonoids by UHPLC–MS/MS Based Structure–Fragment Relationships (SFRs)

Fayaj A. Mulani, Sharvani S. Nandikol, Saikat Haldar and Hirekodathakallu V. Thulasiram

ACS Omega, 2021, 6, 26454
DOI: 10.1021/acsomega.1c03697

Amazonian Siparuna extracts as potential anti-influenza agents: Metabolic fingerprinting

Carla Monteiro Leal, Rosineide Costa Simas, Milene Miranda, Mariana Freire Campos, Brendo Araujo Gomes, Marilda M. Siqueira, Gabrielle do Vale, Carlos Vitor Gomes de Almeida, Suzana Guimarães Leitão and Gilda Guimarães Leitão

Journal of Ethnopharmacology, 2021, 270, 113788
DOI: 10.1016/j.jep.2021.113788

Ecological Niche-Inspired Genome Mining Leads to the Discovery of Crop-Protecting Nonribosomal Lipopeptides Featuring a Transient Amino Acid Building Block

Sebastian Götze, Raghav Vij, Katja Burow, Nicola Thome, Lennart Urbat, Nicolas Schlosser, Sebastian Pflanze, Rita Müller, Veit G. Hänsch, Kevin Schlabach, Leila Fazlikhani, Grit Walther, Hans-Martin Dahse, Lars Regestein, Sascha Brunke, Bernhard Hube, Christian Hertweck, Philipp Franken and Pierre Stallforth

J. Am. Chem. Soc., 2023, 145, 2342
DOI: 10.1021/jacs.2c11107

Identification of anti-HIV macrocyclic daphnane orthoesters from Wikstroemia ligustrina by LC–MS analysis and phytochemical investigation

Kouharu Otsuki, Mi Zhang, Takashi Kikuchi, Minami Tsuji, Miyuko Tejima, Zi-Song Bai, Di Zhou, Li Huang, Chin-Ho Chen, Kuo-Hsiung Lee, Ning Li, Kazuo Koike and Wei Li

J Nat Med, 2021, 75, 1058
DOI: 10.1007/s11418-021-01551-9

Detection and Seasonal Variations of Huanglongbing Disease in Navel Orange Trees Using Direct Ionization Mass Spectrometry

Wen Li, Ya-Nan Yao, Lin Wu and Bin Hu

J. Agric. Food Chem., 2019, 67, 2265
DOI: 10.1021/acs.jafc.8b06427

Chemical analysis of additives included in fully formulated oils using high‐performance liquid chromatography–tandem mass spectrometry

Vincent Basham, Tom Hancock, John McKendrick, Nathalia Tessarolo and Chrissie Wicking

Rapid Comm Mass Spectrometry, 2024, 38
DOI: 10.1002/rcm.9682

Structural characterization of a L-dehydroascorbic acid–L-homocysteine thiolactone reaction product: Intracellular formation in neuronal cells

Ghizlane Loubane, Gabriel Robert, Syed Benazir Firdaus, Raphaël Robidas, Christian Comeau, Pierre-Luc Boudreault, Jeampy E. Komba, Hugo Gagnon, J Richard Wagner, Stephen Naylor and Klaus Klarskov

Biochimica et Biophysica Acta (BBA) - General Subjects, 2026, 1870, 130882
DOI: 10.1016/j.bbagen.2025.130882

Alternative biodegradation pathway of the herbicide diuron

Jéssica Aparecida Silva Moretto, João Pedro Rueda Furlan, Ana Flavia Tonelli Fernandes, Anelize Bauermeister, Norberto Peporine Lopes and Eliana Guedes Stehling

International Biodeterioration & Biodegradation, 2019, 143, 104716
DOI: 10.1016/j.ibiod.2019.06.004

Advances in computational metabolomics and databases deepen the understanding of metabolisms

Hiroshi Tsugawa

Current Opinion in Biotechnology, 2018, 54, 10
DOI: 10.1016/j.copbio.2018.01.008

Oxidized lipids in the metabolic profiling of neuroendocrine tumors – Analytical challenges and biological implications

Ángeles López-López, Joanna Godzien, Beatriz Soldevilla, Ana Gradillas, Ángeles López-Gonzálvez, Alberto Lens-Pardo, Anna La Salvia, María del Carmen Riesco-Martínez, Rocío García-Carbonero and Coral Barbas

Journal of Chromatography A, 2020, 1625, 461233
DOI: 10.1016/j.chroma.2020.461233

Non-Targeted Analysis Workflow of Endocrine-Disrupting Chemicals in Ovarian Follicular Fluid: Identification of Parabens by Diagnostic Fragmentation Evidence and Additional Contaminants via Mass Spectral Library Matching

Zilin Zhou, Michael S. Neal, Warren G. Foster and Yong-Lai Feng

ACS Meas. Sci. Au, 2025, 5, 790
DOI: 10.1021/acsmeasuresciau.5c00082

Recycling Preparative Liquid Chromatography, the Overlooked Methodology for the Purification of Natural Products

Rogelio Pereda-Miranda, Jhon F. Castañeda-Gómez and Mabel Fragoso-Serrano

Rev. Bras. Farmacogn., 2024, 34, 927
DOI: 10.1007/s43450-024-00561-4

Uncovering the fragmentation and separation characteristics of sophorolipid biosurfactants with LC-MS-ESI

Benjamin Ingham, Katherine Hollywood, Phavit Wongsirichot, Alistair Veitch and James Winterburn

Journal of Industrial Microbiology and Biotechnology, 2024, 51
DOI: 10.1093/jimb/kuae035

Polyphenolic Profiling of Green Waste Determined by UPLC-HDMSE

Colin M. Potter and David L. Jones

Processes, 2021, 9, 824
DOI: 10.3390/pr9050824

Characterization of a flavonol‐rich antioxidant fraction from Spondias purpurea L. pulp and the effect of its incorporation on cellulose acetate‐based film

Ludimilla Adorno Vasconcelos, Letícia Caribé Batista Reis, Êuder Reis Dias, Geany Peruch Camilloto and Alexsandro Branco

J Sci Food Agric, 2021, 101, 3270
DOI: 10.1002/jsfa.10956

Profiling the Philippine Blue: Liquid chromatography/mass spectrometry‐based metabolomics study on Philippine Indigofera

Ralph John Emerson J. Molino and Hiyas A. Junio

Rapid Comm Mass Spectrometry, 2021, 35
DOI: 10.1002/rcm.9037

Enhanced Structural Understanding of Dissolved Organic Matter through Comparative LC/MS2 Analysis with Synthetic Carboxylate Rich Alicyclic Molecules

Jeffrey A. Hawkes, Agnes D. Flygare, Lindon W. K. Moodie and Alexander J. Craig

Anal. Chem., 2025, 97, 18612
DOI: 10.1021/acs.analchem.5c02665

Metabolomic Fingerprinting of Salinispora From Atlantic Oceanic Islands

Anelize Bauermeister, Karen Velasco-Alzate, Tiago Dias, Helena Macedo, Elthon G. Ferreira, Paula C. Jimenez, Tito M. C. Lotufo, Norberto P. Lopes, Susana P. Gaudêncio and Letícia V. Costa-Lotufo

Front. Microbiol., 2018, 9
DOI: 10.3389/fmicb.2018.03021

The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification

Maciej Przybyłek, Waldemar Studziński, Alicja Gackowska and Jerzy Gaca

Environ Sci Pollut Res, 2019, 26, 28188
DOI: 10.1007/s11356-019-05968-4

Size-Exclusion Chromatography–Electrospray-Ionization Mass Spectrometry To Characterize End Group and Chemical Distribution of Poly(lactide-co-glycolide) Copolymers

Masashi Serizawa, Pieter van Delft, Peter J. Schoenmakers, Ron A. H. Peters and Andrea F. G. Gargano

J. Am. Soc. Mass Spectrom., 2025, 36, 980
DOI: 10.1021/jasms.4c00447

Putative Identification of New Phragmaline-Type Limonoids from the Leaves of Swietenia macrophylla King: A Case Study Using Mass Spectrometry-Based Molecular Networking

José Reis, Paulo Gomes, Paulo Sá, Sônia Pamplona, Consuelo Silva, Maria da Silva, Anupam Bishayee and Milton da Silva

Molecules, 2023, 28, 7603
DOI: 10.3390/molecules28227603

Calculation of Mass Spectra with the QCxMS Method for Negatively and Multiply Charged Molecules

Jeroen Koopman and Stefan Grimme

J. Am. Soc. Mass Spectrom., 2022, 33, 2226
DOI: 10.1021/jasms.2c00209

Resin Glycosides from Operculina hamiltonii and Their Synergism with Vinblastine in Cancer Cells

Armando Moreno-Velasco, Pedro de Jesús Flores-Tafoya, Mabel Fragoso-Serrano, Suzana Guimarães Leitão and Rogelio Pereda-Miranda

J. Nat. Prod., 2022, 85, 2385
DOI: 10.1021/acs.jnatprod.2c00594

Characterization of Larvicidal Diterpene Resin Acids in Melipona quadrifasciata Geopropolis via LC‐ESI‐MS/MS, GC–MS and Computational Analysis

Luís Guilherme Pereira Feitosa, Juliana Massimino Feres, Camila Capel Godinho, Lorena Carneiro Albernaz, Laila Salmen Espindola, Ricardo Vessecchi, Thais Guaratini and Norberto Peporine Lopes

Rapid Comm Mass Spectrometry, 2025, 39
DOI: 10.1002/rcm.10025

Cyclic IMS-MS Reveals Protonation-Site Preservation in Isobaric Fragments of Quizartinib Protomers via Charge-Remote Fragmentation

Sudam S. Mane, David V. Dearden and Kenneth W. Lee

J. Am. Soc. Mass Spectrom., 2026, 37, 74
DOI: 10.1021/jasms.5c00221

Studying Charge Migration Fragmentation of Sodiated Precursor Ions in Collision-Induced Dissociation at the Library Scale

Marcus Ludwig, Corey D. Broeckling, Pieter C. Dorrestein, Kai Dührkop, Emma L. Schymanski, Sebastian Böcker and Louis-Félix Nothias

J. Am. Soc. Mass Spectrom., 2021, 32, 180
DOI: 10.1021/jasms.0c00240

Development of a UPLC‐MS/MS Method for Bioanalysis of Ethoxysanguinarine and Its Application in Pharmacokinetic Study of Ethoxysanguinarine Nanoemulsion

Jianhui Luo, Songshen Chen, WenYang Song, Yongtong Huang, Song Gao and Jiu Wang

Biomedical Chromatography, 2025, 39
DOI: 10.1002/bmc.6055

Stability-indicating LC-MS/MS and LC-DAD methods for robust determination of tasimelteon and high resolution mass spectrometric identification of a novel degradation product

Saniye Özcan, Serkan Levent, Aysun Geven, Yusuf Özkay and Nafiz Öncü Can

Journal of Pharmaceutical and Biomedical Analysis, 2020, 191, 113490
DOI: 10.1016/j.jpba.2020.113490

Precursor Ion Scan Mode-Based Strategy for Fast Screening of Polyether Ionophores by Copper-Induced Gas-Phase Radical Fragmentation Reactions

Eduardo J. Crevelin, Bruna Possato, João L. C. Lopes, Norberto P. Lopes and Antônio E. M. Crotti

Anal. Chem., 2017, 89, 3929
DOI: 10.1021/acs.analchem.6b02855

Feature-Based Molecular Network-Guided Dereplication of Natural Bioactive Products from Leaves of Stryphnodendron pulcherrimum (Willd.) Hochr

Paulo Gomes, Luis Quirós-Guerrero, Consuelo Silva, Sônia Pamplona, Jean A. Boutin, Marcos Eberlin, Jean-Luc Wolfender and Milton Silva

Metabolites, 2021, 11, 281
DOI: 10.3390/metabo11050281

Fragmentation pathway and structural characterization of new glycosylated phenolic derivatives from Eremanthus glomerulatus Less (Asteraceae) by electrospray ionization tandem mass spectrometry

Juliano Geraldo Amaral, Anelize Bauermeister, Alan Cesar Pilon, Dayana Rubio Gouvea, Humberto Takeshi Sakamoto, Leonardo Gobbo‐Neto, João Luis Callegari Lopes and Norberto Peporine Lopes

J Mass Spectrom, 2017, 52, 783
DOI: 10.1002/jms.3982

LC-ESI(±)-LTQ MSn-Based Metabolomic Profiling of Coffee: Fragmentation Pathways for Identification of Major Polar Compounds

Marcos Valério Vieira Lyrio, Danieli Grancieri Debona, Amanda Eiriz Feu, Nayara Araujo dos Santos, Arlan da Silva Gonçalves, Ricardo Machado Kuster, Eustáquio Vinícius Ribeiro de Castro and Wanderson Romão

J. Am. Soc. Mass Spectrom., 2025, 36, 1213
DOI: 10.1021/jasms.4c00418

Characterization of the Retro-[3+2] Reaction of Protonated 2,3′-Bisindolylmethanes by Electrospray Ionization–Tandem Mass Spectrometry

Guang-Yun He, Tian Cai, Xiao-Ying Xu, Dong-Mei Fang and Zhi-Jun Wu

Analytical Letters, 2017, 50, 2058
DOI: 10.1080/00032719.2016.1267738

Staring into the void: demystifying microbial metabolomics

Cynthia M Grim, Gordon T Luu and Laura M Sanchez

FEMS Microbiology Letters, 2019, 366
DOI: 10.1093/femsle/fnz135

Photolytic and Oxidative Degradation Behavior of Anticancer Drug Venetoclax: Characterization of New Degradation Products Using High Resolution Mass Spectrometry

Vivek Dhiman, Sourabh Ahirwar, Sowmya Chaganti and S. Gananadhamu

J Anal Chem, 2023, 78, 522
DOI: 10.1134/S1061934823040081

Inhibitory Effects of Hydroethanolic Leaf Extracts of Kalanchoe brasiliensis and Kalanchoe pinnata (Crassulaceae) against Local Effects Induced by Bothrops jararaca Snake Venom

Júlia Morais Fernandes, Juliana Félix-Silva, Lorena Medeiros da Cunha, Jacyra Antunes dos Santos Gomes, Emerson Michell da Silva Siqueira, Luisa Possamai Gimenes, Norberto Peporine Lopes, Luiz Alberto Lira Soares, Matheus de Freitas Fernandes-Pedrosa, Silvana Maria Zucolotto and Luis Eduardo M Quintas

PLoS ONE, 2016, 11, e0168658
DOI: 10.1371/journal.pone.0168658

Physicochemical Prediction of Metabolite Fragmentation in Tandem Mass Spectrometry

Wataru Tanaka and Masanori Arita

Mass Spectrometry, 2018, 7, A0066
DOI: 10.5702/massspectrometry.A0066

Combined use of tandem mass spectrometry and computational chemistry to study 2H‐chromenes from Piper aduncum

Amauri Alves Souza, Ricardo Vessecchi, Ian Castro‐Gamboa and Maysa Furlan

J Mass Spectrom, 2019, 54, 634
DOI: 10.1002/jms.4378

Characteristic product ions of acetylene carotenoids by electrospray and nanospray ionization tandem mass spectrometry

Fausto Carnevale Neto, Thais Guaratini, Pio Colepicolo, Paul J. Gates and Norberto Peporine Lopes

Rapid Comm Mass Spectrometry, 2020, 34
DOI: 10.1002/rcm.8811

Matrix‐assisted laser desorption/ionization time‐of‐flight/time‐of‐flight tandem mass spectrometry (negative ion mode) of French Oak lignin: A novel series of lignin and tricin derivatives attached to carbohydrate and shikimic acid moieties

Abanoub Mikhael, Kristina Jurcic, Travis D. Fridgen, Michel Delmas and Joseph Banoub

Rapid Comm Mass Spectrometry, 2020, 34
DOI: 10.1002/rcm.8841

Molecular network‐guided chemical profile and mass spectrometry, volatile compounds, and antimicrobial activity of Scaptotrigona depilis propolis

Edineide Cristina A. Souza, Beatriz Paes Silva, Carla Porto, Eduardo Jorge Pilau, Cristiano Menezes and Adriana Flach

Rapid Comm Mass Spectrometry, 2022, 36
DOI: 10.1002/rcm.9348

Orderly deposition of multi‐layer nanofibrous membrane by electrohydrodynamic direct writing

Gaofeng Zheng, Ping Zhu, Jiaxin Jiang, Weizheng Zhong, Jianyi Zheng, Juan Liu, Xiang Wang, Wenwang Li and Shumin Guo

Micro & Nano Letters, 2019, 14, 458
DOI: 10.1049/mnl.2018.5692

Electrospray Ionization Mass Spectrometry: A Powerful Platform for Noble‐Metal Nanocluster Analysis

Tiankai Chen, Qiaofeng Yao, Ricca Rahman Nasaruddin and Jianping Xie

Angew Chem Int Ed, 2019, 58, 11967
DOI: 10.1002/anie.201901970

New cascarosides from Rhamnus purshiana and fragmentation studies of the class by ion trap mass spectrometry

Daniel P. Demarque, Danielle R. Pinho, Daniel R. Callejon, Gibson G. de Oliveira, Denise B. Silva, Carlos A. Carollo and Norberto P. Lopes

Rapid Comm Mass Spectrometry, 2017, 31, 1169
DOI: 10.1002/rcm.7883

Atmospheric pressure chemical ionization mass spectrometry of retro‐carotenoids

Roland Schex, Ralf Schweiggert and Christof B. Steingass

Rapid Comm Mass Spectrometry, 2022, 36
DOI: 10.1002/rcm.9250

Non-targeted Metabolomic Analysis Based on Ultra-High-Performance Liquid Chromatography Quadrupole Time-of-Flight Tandem Mass Spectrometry Reveals the Effects of Grafting on Non-volatile Metabolites in Fresh Tea Leaves (Camellia sinensis L.)

Dandan Qi, Junxing Li, Xiaoyan Qiao, Meiling Lu, Wei Chen, Aiqing Miao, Weiqing Guo and Chengying Ma

J. Agric. Food Chem., 2019, 67, 6672
DOI: 10.1021/acs.jafc.9b01001

Survey of the multi-stage mass spectrometry of common ionic liquid cations and some polyfluorinated ions

Taofiq Abdulraheem, Jayna G. Wallinger, Matthew J. Carlo and Amanda L. Patrick

International Journal of Mass Spectrometry, 2024, 499, 117218
DOI: 10.1016/j.ijms.2024.117218

N3/4-pyridinyl Schiff base copper(II) benzoate complexes: synthesis, crystal structures and ring-opening polymerization studies

Damilola C. Akintayo, Wisdom A. Munzeiwa, Sreekantha B. Jonnalagadda and Bernard Omondi

Transit Met Chem, 2022, 47, 113
DOI: 10.1007/s11243-022-00494-8

Identification of small molecules using accurate mass MS/MS search

Tobias Kind, Hiroshi Tsugawa, Tomas Cajka, Yan Ma, Zijuan Lai, Sajjan S. Mehta, Gert Wohlgemuth, Dinesh Kumar Barupal, Megan R. Showalter, Masanori Arita and Oliver Fiehn

Mass Spectrometry Reviews, 2018, 37, 513
DOI: 10.1002/mas.21535

Effect of Tahiti lime (Citrus latifolia) juice on the Production of the PGF2α/PGE2 and Pro-Inflammatory Cytokines involved in Menstruation

Thaiane Robeldo, Edione Fatima Canzi, Priscila Maria de Andrade, Jhonne Pedro Pedotte Santana, Felipe Roberti Teixeira, Valentine Spagnol, Beatriz Helena Lameiro Noronha Sale Maia, Maristela Carbol, Erika Gonçalves Caneira, Maria Fátima das Graças Fernandes Da Silva and Ricardo Carneiro Borra

Sci Rep, 2020, 10
DOI: 10.1038/s41598-020-63477-8

Understanding the fragmentation mechanisms of methoxy-, mesyl-, and tosyl-lapachol derivatives by computational chemistry and mass spectrometry analysis

Ricardo Vessecchi, Letícia da Silva Borges, Flavio da Silva Emery and Norberto Peporine Lopes

International Journal of Mass Spectrometry, 2017, 418, 92
DOI: 10.1016/j.ijms.2016.11.012

Combined application of online FIGAERO-CIMS and offline LC-Orbitrap mass spectrometry (MS) to characterize the chemical composition of secondary organic aerosol (SOA) in smog chamber studies

Mao Du, Aristeidis Voliotis, Yunqi Shao, Yu Wang, Thomas J. Bannan, Kelly L. Pereira, Jacqueline F. Hamilton, Carl J. Percival, M. Rami Alfarra and Gordon McFiggans

Atmos. Meas. Tech., 2022, 15, 4385
DOI: 10.5194/amt-15-4385-2022

Ring-opening polymerization of cyclic esters by 3- and 4-pyridinyl Schiff base Zn(II) and Cu(II) paddlewheel complexes: kinetic, mechanistic and tacticity studies

Damilola C. Akintayo, Wisdom A. Munzeiwa, Sreekantha B. Jonnalagadda and Bernard Omondi

Arabian Journal of Chemistry, 2021, 14, 103313
DOI: 10.1016/j.arabjc.2021.103313

MESSAR: Automated recommendation of metabolite substructures from tandem mass spectra

Youzhong Liu, Aida Mrzic, Pieter Meysman, Thomas De Vijlder, Edwin P. Romijn, Dirk Valkenborg, Wout Bittremieux, Kris Laukens and Jason A. Papin

PLoS ONE, 2020, 15, e0226770
DOI: 10.1371/journal.pone.0226770

The Epipolythiodiketopiperazine Gene Cluster in Claviceps purpurea: Dysfunctional Cytochrome P450 Enzyme Prevents Formation of the Previously Unknown Clapurines

Julian Dopstadt, Lisa Neubauer, Paul Tudzynski, Hans-Ulrich Humpf and Jae-Hyuk Yu

PLoS ONE, 2016, 11, e0158945
DOI: 10.1371/journal.pone.0158945

Fragmentation of 2‐aroylbenzofuran derivatives by electrospray ionization tandem mass spectrometry

Herbert J. Dias, Tatiana M. Vieira, Eduardo J. Crevelin, Paulo M. Donate, Ricardo Vessecchi and Antônio E.M. Crotti

J Mass Spectrom, 2017, 52, 809
DOI: 10.1002/jms.4024

Competitive McLafferty-type rearrangements of sodium adduct of anti-2,3-dihydroxy-1-phenylpentane-1,4-dione compounds in tandem mass spectrometry

Xiayan Zhang, Xu Xu, Xinmeng Chen, Lin Chen, Xiaoying Xu, Zhijun Wu, Dongmei Fang and Tian Cai

Eur J Mass Spectrom (Chichester), 2018, 24, 437
DOI: 10.1177/1469066718803082

Integrated Metabolomic and Genomic Insights into Amino Acid Incorporation Within the Hybrid Polyketide-Alkaloid Antibiotic TLN-05220

Jennifer L. Cordoza, Rachel A. Johnson, Andrew E. Whiteley, Calista A. Horta, Jayna C. Nicholas, Diana M. Owen, Laura Rodriguez-Velandia, Gordon T. Luu, Valentina Z. Petukhova, Jackson T. Calhoun, Laura M. Sanchez, Shaun M. K. McKinnie and Katharine R. Watts

ACS Chem. Biol., 2026, 21, 352
DOI: 10.1021/acschembio.5c00877

Novel Metformin-Based Schiff Bases: Synthesis, Characterization, and Antibacterial Evaluation

Inas Al-Qadsy, Waseem Sharaf Saeed, Abdel-Basit Al-Odayni, Lena Ahmed Saleh Al-Faqeeh, Abdulaziz Ali Alghamdi and Mazahar Farooqui

Materials, 2020, 13, 514
DOI: 10.3390/ma13030514

Ultra-performance liquid chromatography coupled with quadrupole high-resolution time-of-flight mass spectrometry for metabolite profiling and biological activity of Stellaria pallida (Dumort) Piré

Taghreed A. Ibrahim, Mostafa M. Hegazy, Galal T. Maatooq and Atef A. El-Hela

Med Chem Res, 2023, 32, 975
DOI: 10.1007/s00044-023-03055-5

Characterization of polyphenols in Australian sweet lupin (Lupinus angustifolius) seed coat by HPLC-DAD-ESI-MS/MS

Liezhou Zhong, Gangcheng Wu, Zhongxiang Fang, Mark L. Wahlqvist, Jonathan M. Hodgson, Michael W. Clarke, Edwin Junaldi and Stuart K. Johnson

Food Research International, 2019, 116, 1153
DOI: 10.1016/j.foodres.2018.09.061

Contribution of allergy in the acquisition of uncontrolled severe asthma

María Isabel Delgado Dolset, David Obeso, Juan Rodriguez-Coira, Alma Villaseñor, Heleia González Cuervo, Ana Arjona, Coral Barbas, Domingo Barber, Teresa Carrillo and María M. Escribese

Front. Med., 2022, 9
DOI: 10.3389/fmed.2022.1009324

Gas-phase studies of the retinal protonated Schiff base chromophore

Y. Toker and L. H. Andersen

Eur. Phys. J. D, 2021, 75
DOI: 10.1140/epjd/s10053-020-00024-0

Fragmentation of Polyfunctional Compounds Recorded Using Automated High-Throughput Desorption Electrospray Ionization

MyPhuong T. Le, Nicolás M. Morato, Andreas Kaerner, Christopher J. Welch and R. Graham Cooks

J. Am. Soc. Mass Spectrom., 2021, 32, 2261
DOI: 10.1021/jasms.1c00176

Isomer Differentiation by UHPLC‐Q‐Exactive‐Orbitrap MS led to Enhanced Identification of Daphnane Diterpenoids in Daphne tangutica

Kouharu Otsuki, Mi Zhang, Lingjian Tan, Masayoshi Komaki, Akane Shimada, Takashi Kikuchi, Di Zhou, Ning Li and Wei Li

Phytochemical Analysis, 2025, 36, 1053
DOI: 10.1002/pca.3491

Untargeted Metabolomics Sheds Light on the Diversity of Major Classes of Secondary Metabolites in the Malpighiaceae Botanical Family

Helena Mannochio-Russo, Rafael F. de Almeida, Wilhan D. G. Nunes, Paula C. P. Bueno, Andrés M. Caraballo-Rodríguez, Anelize Bauermeister, Pieter C. Dorrestein and Vanderlan S. Bolzani

Front. Plant Sci., 2022, 13
DOI: 10.3389/fpls.2022.854842

MS-Based Molecular Networking of Designer Drugs as an Approach for the Detection of Unknown Derivatives for Forensic and Doping Applications: A Case of NBOMe Derivatives

Jun Sang Yu, Hyewon Seo, Gi Beom Kim, Jin Hong and Hye Hyun Yoo

Anal. Chem., 2019, 91, 5483
DOI: 10.1021/acs.analchem.9b00294

Development of a New, Fully Validated LC-MS/MS Method for the Analysis of Flibanserin in Pharmaceutical Preparations and Comparison of the Chromatographic Performance with Six Stationary Phase Types

Aysun Geven, Saniye Özcan, Serkan Levent and Nafiz Öncü Can

CAC, 2023, 19, 541
DOI: 10.2174/1573411019666230726121218

TiO2 and N-TiO2-photocatalytic degradation of salicylic acid in water: characterization of transformation products by mass spectrometry

Estefania Bracco, Matías Butler, Patricio Carnelli and Roberto Candal

Environ Sci Pollut Res, 2020, 27, 28469
DOI: 10.1007/s11356-019-06045-6

Synthesis, experimental and molecular dynamics simulation of the ESI-CID spectrum of the nerve agent Novichok analog O-2-methoxyethyl N- [bis(dimethylamino)methylidene]-P-methylphosphonamidate

Taynara Carvalho-Silva, Lucas Modesto-Costa, Caio V.N. Borges, Samir F.A. Cavalcante, Roberto B. Sousa, Antonio L.S. Lima and Itamar Borges

International Journal of Mass Spectrometry, 2023, 490, 117087
DOI: 10.1016/j.ijms.2023.117087

Mixed-phase weak anion-exchange/reversed-phase LC–MS/MS for analysis of nucleotide sugars in human fibroblasts

Moritz Rahm, Hanneke Kwast, Hans J. C. T. Wessels, Marek J. Noga and Dirk J. Lefeber

Anal Bioanal Chem, 2024, 416, 3595
DOI: 10.1007/s00216-024-05313-w

Untargeted LC–MS metabolomic studies of Asteraceae species to discover inhibitors of Leishmania major dihydroorotate dehydrogenase

Lucas A. Chibli, Annylory L. Rosa, Maria Cristina Nonato and Fernando B. Da Costa

Metabolomics, 2019, 15
DOI: 10.1007/s11306-019-1520-7

Mass spectrometry as a tool for the dereplication of saponins from Ampelozizyphus amazonicus Ducke bark and wood

Simony C. Mendonça, Rosineide C. Simas, Daniel L. Reis Simas, Suzana G. Leitão and Gilda G. Leitão

Phytochemical Analysis, 2021, 32, 262
DOI: 10.1002/pca.2972

Advanced Analytical Approaches for the Analysis of Polyphenols in Plants Matrices—A Review

Elena Chiriac, Carmen Chiţescu, Elisabeta-Irina Geană, Cerasela Gird, Radu Socoteanu and Rica Boscencu

Separations, 2021, 8, 65
DOI: 10.3390/separations8050065

Fabaceae Flavonoids Beyond the Commonplace: A Review of Chemical Diversity, Pharmacological Activities, Mass Spectrometric Profiling and In Silico Insights into Their Subclasses

Ana Rita Rodrigues de Almeida Silva Brilhante, Gabriela Ribeiro de Sousa, Ana Karoline Silva de Aquino-Vital, Natanael Teles Ramos de Lima, Ranna Beatris de Lima Souza, Thalisson Amorim de Souza, Marcus Tullius Scotti, José Maria Barbosa Filho, Josean Fechine Tavares and Marcelo Sobral da Silva

Plants, 2025, 14, 3549
DOI: 10.3390/plants14233549

Development of a new extraction technique and HPLC method for the analysis of non-psychoactive cannabinoids in fibre-type Cannabis sativa L. (hemp)

Virginia Brighenti, Federica Pellati, Marleen Steinbach, Davide Maran and Stefania Benvenuti

Journal of Pharmaceutical and Biomedical Analysis, 2017, 143, 228
DOI: 10.1016/j.jpba.2017.05.049

Developments in mycotoxin analysis: an update for 2019-2020

S.A. Tittlemier, J. Brunkhorst, B. Cramer, M.C. DeRosa, V.M.T. Lattanzio, R. Malone, C. Maragos, M. Stranska and M.W. Sumarah

WMJ, 2021, 14, 3
DOI: 10.3920/WMJ2020.2664

Identification of α-Glucosidase Inhibitors from Ipomoea alba by Affinity-Directed Fractionation-Mass Spectrometry

Daniel Rosas-Ramírez, Rogelio Pereda-Miranda, Sonia Escandón-Rivera and Roberto Arreguín-Espinosa

Rev. Bras. Farmacogn., 2020, 30, 336
DOI: 10.1007/s43450-020-00068-8

Aging of α-Pinene Secondary Organic Aerosol by Hydroxyl Radicals in the Aqueous Phase: Kinetics and Products

Bartłomiej Witkowski, Mohammed al-Sharafi, Kacper Błaziak and Tomasz Gierczak

Environ. Sci. Technol., 2023, 57, 6040
DOI: 10.1021/acs.est.2c07630

Gas‐phase fragmentation reactions of protonated benzofuran‐ and dihydrobenzofuran‐type neolignans investigated by accurate‐mass electrospray ionization tandem mass spectrometry

Herbert J. Dias, Manon Baguenard, Eduardo J. Crevelin, Vinicius Palaretti, Paul J. Gates, Ricardo Vessecchi and Antônio E.M. Crotti

J Mass Spectrom, 2019, 54, 35
DOI: 10.1002/jms.4304

Peak AAA fatty acid homolog contaminants present in the dietary supplement l-Tryptophan associated with the onset of eosinophilia-myalgia syndrome

Klaus Klarskov, Hugo Gagnon, Mathieu Racine, Pierre-Luc Boudreault, Chad Normandin, Eric Marsault, Gerald J. Gleich and Stephen Naylor

Toxicology Letters, 2018, 294, 193
DOI: 10.1016/j.toxlet.2018.05.027

Mechanistic approaches for chemically modifying the coordination sphere of copper–amyloid-β complexes

Jiyeon Han, Hyuck Jin Lee, Kyu Yeon Kim, Geewoo Nam, Junghyun Chae and Mi Hee Lim

Proc. Natl. Acad. Sci. U.S.A., 2020, 117, 5160
DOI: 10.1073/pnas.1916944117

Composition and Structure of Fluorescent Graphene Quantum Dots Generated by Enzymatic Degradation of Graphene Oxide

Xiaoyun He, Dan C. Sorescu and Alexander Star

J. Phys. Chem. C, 2021, 125, 13361
DOI: 10.1021/acs.jpcc.1c01564

Nudged elastic band method and density functional theory calculation for finding a local minimum energy pathway of p-benzoquinone and phenol fragmentation in mass spectrometry

Natsuhiko Sugimura, Yoko Igarashi, Reiko Aoyama and Toshimichi Shibue

Eur J Mass Spectrom (Chichester), 2017, 23, 40
DOI: 10.1177/1469066716688412

Kinetic, ESI–CID–MS, and Computational Studies of π-AllyliridiumC,O-Benzoate-Catalyzed Allylic Amination: Understanding the Effect of Cesium Ion

Woo-Ok Jung, Binh Khanh Mai, Minjin Yoo, Samuel W. J. Shields, Jason R. Zbieg, Craig E. Stivala, Peng Liu and Michael J. Krische

ACS Catal., 2022, 12, 3660
DOI: 10.1021/acscatal.2c00470

Comparative Structural Study of Terminal Ends of Lipoarabinomannan from Mice Infected Lung Tissues and Urine of a Tuberculosis Positive Patient

Prithwiraj De, Libin Shi, Claudia Boot, Diane Ordway, Michael McNeil and Delphi Chatterjee

ACS Infect. Dis., 2020, 6, 291
DOI: 10.1021/acsinfecdis.9b00355

The Copper(II) Ions Solvent Extraction with a New Compound: 2,6-Bis(4-Methoxybenzoyl)-Diaminopyridine

Daria Bożejewicz, Katarzyna Witt, Małgorzata A. Kaczorowska and Borys Ośmiałowski

Processes, 2019, 7, 954
DOI: 10.3390/pr7120954

Metabolite Profiling in Withania somnifera Roots Hydroalcoholic Extract Using LC/MS, GC/MS and NMR Spectroscopy

Mahendra Kumar Trivedi, Parthasarathi Panda, Kalyan Kumar Sethi and Snehasis Jana

Chemistry & Biodiversity, 2017, 14
DOI: 10.1002/cbdv.201600280

Are benzoylium and nitrilium ions produced from substituted 2‐arene‐2‐oxazolines during mass spectrometry? A study based on density functional theory calculations, quantum theory of atoms in molecules, and electrospray ionization tandem mass spectrometry

Letícia da Silva Borges, João Henrique Carvalho Batista, Leandro Bozzini, Celso Donizete Lourenço, Norberto Peporine Lopes, Giuliano Cesar Clososki and Ricardo Vessecchi

Rapid Comm Mass Spectrometry, 2023, 37
DOI: 10.1002/rcm.9449

Mechanism of Diol Dehydration by a Promiscuous Radical‐SAM Enzyme Homologue of the Antiviral Enzyme Viperin (RSAD2)

Kourosh Honarmand Ebrahimi, Jack S. Rowbotham, James McCullagh and William S. James

ChemBioChem, 2020, 21, 1605
DOI: 10.1002/cbic.201900776

Basic Structure of Melanoidins Formed in the Maillard Reaction of 3-Deoxyglucosone and γ-Aminobutyric Acid

Philipp Bruhns, Clemens Kanzler, Andreas G. Degenhardt, Timo J. Koch and Lothar W. Kroh

J. Agric. Food Chem., 2019, 67, 5197
DOI: 10.1021/acs.jafc.9b00202

Antinociceptive Effect of Dillenia indica (Linn.) Mediated by Opioid and Cannabinoid Systems: Pharmacological and Chemical Studies

Amanda Alvarenga de Souza, Flávia Pereira Dias Viegas, Vanessa Silva Gontijo, Jádina Santos Vieira Domingues, Alexandre Giusti‐Paiva, Fabiana Cardoso Vilela, Geraldo Alves da Silva, Juliano Geraldo Amaral, Norberto Peporine Lopes and Claudio Viegas

Chemistry & Biodiversity, 2024, 21
DOI: 10.1002/cbdv.202301508

Electrospray Ionization Tandem Mass Spectrometric Study of Selected Phosphine-Based Ligands for Catalytically Active Organometallics

Sarah Fleissner, Ernst Pittenauer and Karl Kirchner

J. Am. Soc. Mass Spectrom., 2023, 34, 1647
DOI: 10.1021/jasms.3c00104

Thermal-assisted recovery of antioxidant compounds from Bauhinia forficata leaves: Effect of operational conditions

Eliane P. Jung, Gabriele F. Conrado Thomaz, Matheus O. de Brito, Natalia G. de Figueiredo, Claudete N. Kunigami, Leilson de Oliveira Ribeiro and Ricardo F. Alves Moreira

Journal of Applied Research on Medicinal and Aromatic Plants, 2021, 22, 100303
DOI: 10.1016/j.jarmap.2021.100303

Chip-Based Nanospray Ionisation Mass Spectrometry for the Routine Analysis of Intact Reactive Phosphine Ligands and Phosphino Organometallic Complexes

Paul J. Gates

Chemosensors, 2026, 14, 52
DOI: 10.3390/chemosensors14020052

Propagating annotations of molecular networks using in silico fragmentation

Ricardo R. da Silva, Mingxun Wang, Louis-Félix Nothias, Justin J. J. van der Hooft, Andrés Mauricio Caraballo-Rodríguez, Evan Fox, Marcy J. Balunas, Jonathan L. Klassen, Norberto Peporine Lopes, Pieter C. Dorrestein and Avner Schlessinger

PLoS Comput Biol, 2018, 14, e1006089
DOI: 10.1371/journal.pcbi.1006089

Mass spectrometry for characterization of homologous piperidine alkaloids and their activity as acetylcholinesterase inhibitors

Thamires R. Freitas, Amanda Danuello, Claudio Viegas Júnior, Vanderlan S. Bolzani and Marcos Pivatto

Rapid Comm Mass Spectrometry, 2018, 32, 1303
DOI: 10.1002/rcm.8172

Photoinduced degradation of three azole compounds from 3rd EU watchlist monitored by high-resolution higher-order mass spectrometry – Part I: A mechanistic study

Melanie Voigt, Nils Wellen, Jean-Michel Dluziak, Victoria Langerbein and Martin Jaeger

Environmental Advances, 2022, 9, 100288
DOI: 10.1016/j.envadv.2022.100288

Polar licit and illicit ingredients in dietary supplements: chemometric optimization of extraction and HILIC-MS/MS analysis

Matteo Baglietto, Barbara Benedetti, Marina Di Carro and Emanuele Magi

Anal Bioanal Chem, 2024, 416, 1679
DOI: 10.1007/s00216-024-05173-4

The characterisation of shellac resin by flow injection and liquid chromatography coupled with electrospray ionisation and mass spectrometry

Diego Tamburini, Joanne Dyer and Ilaria Bonaduce

Sci Rep, 2017, 7
DOI: 10.1038/s41598-017-14907-7

UPLC-MS/MS Based Identification of Dietary Steryl Glucosides by Investigation of Corresponding Free Sterols

Linda H. Münger, Samy Boulos and Laura Nyström

Front. Chem., 2018, 6
DOI: 10.3389/fchem.2018.00342

Evaluation of Ion Mobility Spectrometry for Improving Constitutional Assignment in Natural Product Mixtures

Fausto Carnevale Neto, Trevor N. Clark, Norberto P. Lopes and Roger G. Linington

J. Nat. Prod., 2022, 85, 519
DOI: 10.1021/acs.jnatprod.1c01048

Maize specialized metabolome networks reveal organ-preferential mixed glycosides

Sandrien Desmet, Yvan Saeys, Kevin Verstaen, Rebecca Dauwe, Hoon Kim, Claudiu Niculaes, Atsushi Fukushima, Geert Goeminne, Ruben Vanholme, John Ralph, Wout Boerjan and Kris Morreel

Computational and Structural Biotechnology Journal, 2021, 19, 1127
DOI: 10.1016/j.csbj.2021.01.004

Structure–fragmentation study of pentacyclic triterpenoids using electrospray ionization quadrupole time‐of‐flight tandem mass spectrometry (ESI‐QTOFMS/MS)

Jalal Uddin, Abdullatif Bin Muhsinah, Muhammad Imran, Muhammad Noman Khan and Syed Ghulam Musharraf

Rapid Comm Mass Spectrometry, 2022, 36
DOI: 10.1002/rcm.9243

Anti-Inflammatory, Antinociceptive, and LC-MS Metabolic Profile from Pseudotrimezia juncifolia (Klatt) Lovo & A. Gil

Alan Silva Minho, Pamela Gomes de Almeida, Natália Naomi Kato, Ana Laura Macedo Brand, Roberto Fontes Vieira, Rafael Garrett, Norberto Peporine Lopes, Claudia Moraes Rezende and Patricia Dias Fernandes

Pharmaceuticals, 2024, 17, 1101
DOI: 10.3390/ph17081101

Application of Safirinium N-Hydroxysuccinimide Esters to Derivatization of Peptides for High-Resolution Mass Spectrometry, Tandem Mass Spectrometry, and Fluorescent Labeling of Bacterial Cells

Joanna Fedorowicz, Magdalena Wierzbicka, Marek Cebrat, Paulina Wiśniewska, Rafał Piątek, Beata Zalewska-Piątek, Zbigniew Szewczuk and Jarosław Sączewski

IJMS, 2020, 21, 9643
DOI: 10.3390/ijms21249643

A new RPLC-ESI-MS method for the determination of eight vitamers of vitamin E

Katarzyna Pawlak, Zuzanna Jopek, Elżbieta Święcicka-Füchsel, Alicja Kutyła, Jesse Namo Ombugadu and Kamil Wojciechowski

Food Chemistry, 2024, 432, 137161
DOI: 10.1016/j.foodchem.2023.137161

Stress degradation study on entrectinib and characterization of its degradation products using HRMS and NMR

Vivek Dhiman, Saranjit Singh, Ankit Balhara, Bhoopendra Singh Kushwah, Laximan Velip, Vijaya Madhyanapu Golla and Gananadhamu Samanthula

Journal of Pharmaceutical and Biomedical Analysis, 2022, 208, 114459
DOI: 10.1016/j.jpba.2021.114459

From mass to metabolite in human untargeted metabolomics: Recent advances in annotation of metabolites applying liquid chromatography-mass spectrometry data

William J. Nash and Warwick B. Dunn

TrAC Trends in Analytical Chemistry, 2019, 120, 115324
DOI: 10.1016/j.trac.2018.11.022

Rationalising the retro‐Diels‐Alder fragmentation pattern of viscutins using electrospray interface‐tandem mass spectrometry coupled to theoretical modelling

Babra Moyo, Yolanda Novokoza, Nikita Tawanda Tavengwa, Nikolai Kuhnert, Kevin Lobb and Ntakadzeni Edwin Madala

Rapid Comm Mass Spectrometry, 2023, 37
DOI: 10.1002/rcm.9592

Nontarget Mass Spectrometry Reveals New Perfluoroalkyl Substances in Fish from the Yangtze River and Tangxun Lake, China

Yanna Liu, Manli Qian, Xinxin Ma, Lingyan Zhu and Jonathan W. Martin

Environ. Sci. Technol., 2018, 52, 5830
DOI: 10.1021/acs.est.8b00779

Characterization of Brazilian green propolis as a photosensitizer for LED light-induced antimicrobial photodynamic therapy (aPDT) against methicillin-resistant Staphylococcus aureus (MRSA) and Vancomycin-intermediate Staphylococcus aureus (VISA)

Israel Souza Ribeiro, Igor Pereira Ribeiro Muniz, Maria Poliana Leite Galantini, Caroline Vieira Gonçalves, Paulo Henrique Bispo Lima, Emely Soares Silva, Nathalia Rosa Silva, Francine Cristina Silva Rosa, Luciano Pereira Rosa, Dirceu Joaquim Costa, Juliano Geraldo Amaral and Robson Amaro Augusto da Silva

Photochem Photobiol Sci, 2023, 22, 2877
DOI: 10.1007/s43630-023-00495-1

Study on hydrolytic, oxidative and photolytic degradation behaviour of anticancer drug sonidegib: Characterization of the products by UHPLC-Q-TOF-MS/MS, 2D NMR and in silico toxicity assessment

Srinivas Reddy Dannarm, Pavan Kalan, Brundharika Ganta, Gangireddy Navitha Reddy and Rajesh Sonti

Journal of Environmental Chemical Engineering, 2024, 12, 114111
DOI: 10.1016/j.jece.2024.114111

Predicting Tandem Mass Spectra of Small Molecules Using Graph Embedding of Precursor-Product Ion Pair Graph

Fujian Zheng, Lei You, Xinjie Zhao, Xin Lu and Guowang Xu

Anal. Chem., 2024, 96, 19190
DOI: 10.1021/acs.analchem.4c04375

The Status Quo of Causal Substance Exploration for Fishy Odor in Raw Water for Taps

Yuta Shinfuku, Hirokazu Takanashi, Tsunenori Nakajima, Ikuro Kasuga and Michihiro Akiba

J. of Wat. & Envir. Tech., 2022, 20, 29
DOI: 10.2965/jwet.21-135

Identification and Structural Characterization of Degradation Products of Tivozanib Using LC‐Q‐TOF‐MS/MS and NMR: An In Silico Approach for Degradation and Toxicity Prediction

Nadeem Shaikh, Sowmya Chaganti, Rahul Khemchandani, Dharipally Harini, H. M. Chandra Mouli and Gananadhamu Samanthula

Rapid Comm Mass Spectrometry, 2026, 40
DOI: 10.1002/rcm.10167

RDA-direct targeted flavonoids profiling strategy combined with fingerprinting and chemometrics for quality evaluation of Changshan Huyou flower

Bingjing Xu, Mengyao Shi, Qiang Lyu, Yunjie Sheng, Jinting Li, Jian Chen, Chaoying Tong and Dan Shou

Microchemical Journal, 2025, 212, 113204
DOI: 10.1016/j.microc.2025.113204

Electrospray ionization tandem mass spectrometry of 4‐aryl‐3,4‐dihydrocoumarins

Herbert J. Dias, William H. Santos, Luis C. S. Filho, Eduardo J. Crevelin, J. Scott McIndoe, Ricardo Vessecchi and Antônio E. M. Crotti

J Mass Spectrom, 2024, 59
DOI: 10.1002/jms.5062

Simple and rapid procedures for the extraction of bioactive compounds from Guayule leaves

Fabrizio Piana, Marco Ciulu, Rosa Quirantes-Piné, Gavino Sanna, Antonio Segura-Carretero, Nadia Spano and Alberto Mariani

Industrial Crops and Products, 2018, 116, 162
DOI: 10.1016/j.indcrop.2018.02.057

Chemical profiling of Sanjin tablets and exploration of their effective substances and mechanism in the treatment of urinary tract infections

Meng-Yuan Li, Yang Li, Li-Li Wang, Feng Xu, Xu-Yan Guo, Jing Zhang, Yang Lv, Peng-Pu Wang, Shun-Qi Wang, Jian-Guo Min, Xun Zou and Shao-Qing Cai

Front. Chem., 2023, 11
DOI: 10.3389/fchem.2023.1179956

Enzyme-Mimetic Photo-decarboxylation Based on Geometry-Dependent Supramolecular Association

Baoli Zhang, Haifeng Wu, Shan Li, Yuanxi Liu, Peidong Du and Zhen-Gang Wang

ACS Catal., 2023, 13, 6763
DOI: 10.1021/acscatal.3c01669

AMPA-15N – Synthesis and application as standard compound in traceable degradation studies of glyphosate

Marisa A. Wirth, Lars Longwitz, Marion Kanwischer, Peter Gros, Peter Leinweber and Thomas Werner

Ecotoxicology and Environmental Safety, 2021, 225, 112768
DOI: 10.1016/j.ecoenv.2021.112768

Knowledge-based in silico fragmentation and annotation of mass spectra for natural products with MassKG

Bingjie Zhu, Zhenhao Li, Zehua Jin, Yi Zhong, Tianhang Lv, Zhiwei Ge, Haoran Li, Tianhao Wang, Yugang Lin, Huihui Liu, Tianyi Ma, Shufang Wang, Jie Liao and Xiaohui Fan

Computational and Structural Biotechnology Journal, 2024, 23, 3327
DOI: 10.1016/j.csbj.2024.09.001

Non-targeted analysis using liquid chromatograph-hybrid mass spectrometer reveals growth substrates of Pseudomonas aeruginosa in tap water

Yutaro Uehara, Hirokazu Takanashi, Ikuro Kasuga and Futoshi Kurisu

Water Research, 2026, 290, 125025
DOI: 10.1016/j.watres.2025.125025

From comprehensive profiling to targeted authentication: an FBMN-guided metabolomics strategy for authentication of Pseudostellaria heterophylla Dao-di and non-Dao-di herbs

Yuxin Ding, Hanbin He, Ye Wang, Chenying Yuan, Xinxin Zheng, Zhen Cao, Yuepiao Cai and Yanchao Xing

Anal Bioanal Chem, 2025, 417, 6489
DOI: 10.1007/s00216-025-06140-3

Inhibition of multidrug-resistant MCF-7 breast cancer cells with combinations of clinical drugs and resin glycosides from Operculina hamiltonii

Armando Moreno-Velasco, Mabel Fragoso-Serrano, Pedro de Jesús Flores-Tafoya, Sebastian Carrillo-Rojas, Elihu Bautista, Suzana Guimarães Leitão, Jhon F. Castañeda-Gómez and Rogelio Pereda-Miranda

Phytochemistry, 2024, 217, 113922
DOI: 10.1016/j.phytochem.2023.113922

Investigation of Cytotoxic Constituents from Seed Pulp of Entada Phaseoloides and Metabolite Profiling Using UPLC-QTOF-MSE

P Pavan Kumar, Bandi Siva, Kumar Katragunta, Supriya D Beedkar, Sistla Ramakrishna, Chandana C Barua and K Suresh Babu

Journal of AOAC INTERNATIONAL, 2021, 104, 827
DOI: 10.1093/jaoacint/qsaa137

Metabolomics Benefits from Orbitrap GC–MS—Comparison of Low- and High-Resolution GC–MS

Daniel Stettin, Remington X. Poulin and Georg Pohnert

Metabolites, 2020, 10, 143
DOI: 10.3390/metabo10040143

Expanding Urinary Metabolite Annotation through Integrated Mass Spectral Similarity Networking

Fausto Carnevale Neto and Daniel Raftery

Anal. Chem., 2021, 93, 12001
DOI: 10.1021/acs.analchem.1c02041

Studies of the Neutral Products of Pentane Degradation in the Corona Discharge in Air

Priyanka Kumari, Younes Valadbeigi, Vahideh Ilbeigi, Ladislav Moravský, Martin Sabo and Štefan Matejčík

Plasma Processes & Polymers, 2026, 23
DOI: 10.1002/ppap.70130

Formation of extraterrestrial peptides and their derivatives

Serge A. Krasnokutski, Cornelia Jäger, Thomas Henning, Claude Geffroy, Quentin B. Remaury and Pauline Poinot

Sci. Adv., 2024, 10
DOI: 10.1126/sciadv.adj7179

Synthesis, Characterization and Lipophilicity Study of Brucella abortus’ Immunogenic Peptide Sequence That Can Be Used in the Future Vaccination Studies

Tayfun Acar, Pelin Pelit Arayıcı, Burcu Ucar, Mesut Karahan and Zeynep Mustafaeva

Int J Pept Res Ther, 2019, 25, 911
DOI: 10.1007/s10989-018-9739-0

Novel Ion Trap Scan Modes to Develop Criteria for On-Site Detection of Sulfonamide Antibiotics

Lucas J. Szalwinski, Yanyang Hu, Nicolás M. Morato, R. Graham Cooks and Gert IJ. Salentijn

Anal. Chem., 2021, 93, 13904
DOI: 10.1021/acs.analchem.1c02790

Untargeted Metabolomics Yields Insights Into the Lipidome of Botrylloides niger Herdman, 1886, An Ascidian Invading the Mediterranean Sea

Gerardo Della Sala, Daniela Coppola, Riccardo Virgili, Giovanni Andrea Vitale, Valentina Tanduo, Roberta Teta, Fabio Crocetta and Donatella de Pascale

Front. Mar. Sci., 2022, 9
DOI: 10.3389/fmars.2022.865751

N-desethyl isotonitazene in fake oxycodone tablets seized in Portugal: the first notification in Europe

Carla Filipa Ferreira, Alexandra M.M. Antunes, Helena Gaspar and Maria João Caldeira

Forensic Chemistry, 2025, 46, 100696
DOI: 10.1016/j.forc.2025.100696

Divergent metabolism of two lychee (Litchi chinensis Sonn.) pulp flavonols and their modulatory effects on gut microbiota: Discovery of hydroxyethylation in vitro colonic fermentation

Guitao Huang, Qingzhu Zeng, Lihong Dong, Ruifen Zhang, Mingwei Zhang, Fei Huang and Dongxiao Su

Food Chemistry, 2023, 429, 136875
DOI: 10.1016/j.foodchem.2023.136875

High‐Resolution Tandem Mass Spectrometry for Metabolic Profiling of Ocotea diospyrifolia (Meisn.) Mez Leaves

Matheus Fernandes Alves, Albert Katchborian Neto, Rosana Casoti, Fernanda Brito Leite, Ana Claudia Chagas de Paula, Danielle Ferreira Dias, Marisi Gomes Soares, Tiago Arruda Sanchez and Daniela Aparecida Chagas de Paula

Chemistry & Biodiversity, 2025, 22
DOI: 10.1002/cbdv.202402227

Top–down lignomics analysis of the French oak lignin by atmospheric pressure photoionization and electrospray ionization quadrupole time‐of‐flight tandem mass spectrometry: Identification of a novel series of lignans

Abanoub Mikhael, Travis D. Fridgen, Michel Delmas and Joseph Banoub

J Mass Spectrom, 2021, 56
DOI: 10.1002/jms.4676

An intriguing “reversible reaction” in the fragmentation of deprotonated dicamba and benzoic acid in a Q‐orbitrap mass spectrometer: Loss and addition of carbon dioxide

Yunfeng Chai, Hongping Chen and Chengyin Lu

Rapid Comm Mass Spectrometry, 2020, 34
DOI: 10.1002/rcm.8893

Targeted Isolation of Anti-inflammatory Lignans from Justicia aequilabris by Molecular Networking Approach

Joanda P. R. e Silva, Laiane C. O. Pereira, Lucas S. Abreu, Francisca S. V. Lins, Thalisson A. de Souza, Renan F. do Espírito-Santo, Renata P. C. Barros, Cristiane F. Villarreal, José I. M. de Melo, Marcus T. Scotti, Vicente C. de O. Costa, Lucas H. Martorano, Fernando M. dos Santos, Raimundo Braz Filho, Marcelo S. da Silva and Josean F. Tavares

J. Nat. Prod., 2022, 85, 2184
DOI: 10.1021/acs.jnatprod.2c00478

Organ-Specific Distribution of Antimycobacterial Neolignans in Piper rivinoides and UHPLC-HRMS/MS Analysis of Its Extracts

Jéssica Sales Felisberto, Thayssa Ferreira Fagundes, Lorraynne Oliveira-Souza, Bruno Henrique Gomes de Souza, Daniel Machado de Brito, Jeferson Adriano Assunção, Samik Lourenço Massau, Marlon H. de Araújo, Michelle Frazão Muzitano, Sanderson Dias Calixto, Thatiana Lopes Biá Ventura Simão, Andre Mesquita Marques, Ygor Jessé Ramos and Davyson de Lima Moreira

Molecules, 2025, 30, 4682
DOI: 10.3390/molecules30244682

An Organic Chemist’s Guide to Electrospray Mass Spectrometric Structure Elucidation

Arnold Steckel and Gitta Schlosser

Molecules, 2019, 24, 611
DOI: 10.3390/molecules24030611

Polyketides from marine-derived Aspergillus welwitschiae inhibit Staphylococcus aureus virulence factors and potentiate vancomycin antibacterial activity in vivo

Luciana A. Loges, Denise B. Silva, Gustavo V.B. Paulino, Melissa F. Landell and Alexandre J. Macedo

Microbial Pathogenesis, 2020, 143, 104066
DOI: 10.1016/j.micpath.2020.104066

Unveiling the Fragmentation Mechanisms of Modified Amino Acids as the Key for Their Targeted Identification

Maricruz Mamani-Huanca, Ana Gradillas, Alberto Gil de la Fuente, Ángeles López-Gonzálvez and Coral Barbas

Anal. Chem., 2020, 92, 4848
DOI: 10.1021/acs.analchem.9b04313

Leismanicidal Activity of Propolis Collected in the Semiarid Region of Brazil

Giani Maria Cavalcante, Celso Amorim Camara, Eva Monica Sarmento Da Silva, Mariana Silva Santos, Anderson Brandão Leite, Aline Cavalcanti Queiroz, Amanda Evelyn Da Silva, Morgana Vital Araújo, Magna Suzana Alexandre-Moreira and Tania Maria Sarmento Silva

Front. Pharmacol., 2021, 12
DOI: 10.3389/fphar.2021.702032

Stephalagine, an alkaloid with pancreatic lipase inhibitory activity isolated from the fruit peel of Annona crassiflora Mart.

Mariana Nunes Pereira, Allisson Benatti Justino, Mário Machado Martins, Leonardo Gomes Peixoto, Danielle Diniz Vilela, Paula Souza Santos, Thaise Lara Teixeira, Cláudio Vieira da Silva, Luiz Ricardo Goulart, Marcos Pivatto and Foued Salmen Espindola

Industrial Crops and Products, 2017, 97, 324
DOI: 10.1016/j.indcrop.2016.12.038

Gas Phase Reactivity of Isomeric Hydroxylated Polychlorinated Biphenyls

Emma H. Palm, Josefin Engelhardt, Sofja Tshepelevitsh, Jana Weiss and Anneli Kruve

J. Am. Soc. Mass Spectrom., 2024, 35, 1021
DOI: 10.1021/jasms.4c00035

Antiproliferative activity of standardized phytopreparations from Ibervillea sonorae (S. Watson) Greene

Max Vidal-Gutiérrez, Heriberto Torres-Moreno, Salomón Hernández-Gutiérrez, Carlos Velazquez, Ramón E. Robles-Zepeda and Wagner Vilegas

Steroids, 2021, 169, 108824
DOI: 10.1016/j.steroids.2021.108824

The Dietary Biomarkers Development Consortium: An Initiative for Discovery and Validation of Dietary Biomarkers for Precision Nutrition

Hrishikesh Chakraborty, Qi Sun, Shilpa N Bhupathiraju, Jeannette M Schenk, Darya O Mishchuk, James R Bain, Xuan He, Jianghao Sun, James Harnly, William Simmons, Daniel Raftery, Liming Liang, John W Newman, Oliver Fiehn, Clary B Clish, Johanna W Lampe, Brian J Bennett, Sandi L Navarro, Ying Wang, Cheng Zheng, Yasmin Mossavar-Rahmani, Marjorie L McCullough, Ying Huang, Ali Shojaie, Wentao Zhu, Danijel Djukovic, Frank Sacks, Jonathan Williams, Francene M Steinberg, Sean H Adams, Frank B Hu, Marian L Neuhouser, Carolyn M Slupsky and Padma Maruvada

Current Developments in Nutrition, 2025, 9, 107435
DOI: 10.1016/j.cdnut.2025.107435

Simple and Selective Determination of Free Chlorine in Aqueous Solutions by an Electrophilic Aromatic Substitution Reaction Followed by Liquid Chromatography Coupled with Mass Spectrometry

Avital Shifrovitch, Moran Madmon, Tamar Shamai Yamin and Avi Weissberg

Organics, 2024, 5, 614
DOI: 10.3390/org5040032

Structure determination of disease associated peak AAA from l -Tryptophan implicated in the eosinophilia-myalgia syndrome

Klaus Klarskov, Hugo Gagnon, Pierre-Luc Boudreault, Chad Normandin, Baptiste Plancq, Eric Marsault, Gerald J. Gleich and Stephen Naylor

Toxicology Letters, 2018, 282, 71
DOI: 10.1016/j.toxlet.2017.10.012

Investigation of Unusual N-(Triphenyl-λ5-phosphanylidene) Amide Fragmentation Observed upon MS/MS Collision-Induced Dissociation

Moolchand Kurmi, Vasantha Krishna Kadambar, Pavan Srinivas, Yernaidu Reddi, Manoranjan Panda, Michael Peddicord, Scott A Miller, Joel Young, Hemant Bhutani and Lakshmikant Bajpai

J. Am. Soc. Mass Spectrom., 2023, 34, 969
DOI: 10.1021/jasms.3c00051

Electrospray Ionization Mass Spectrometry: A Powerful Platform for Noble‐Metal Nanocluster Analysis

Tiankai Chen, Qiaofeng Yao, Ricca Rahman Nasaruddin and Jianping Xie

Angewandte Chemie, 2019, 131, 12093
DOI: 10.1002/ange.201901970

Salazinic Acid and Norlobaridone from the Lichen Hypotrachyna cirrhata: Antioxidant Activity, α-Glucosidase Inhibitory and Molecular Docking Studies

Tatapudi Kiran Kumar, Bandi Siva, Basani Kiranmai, Vidya Jyothi Alli, Surender Singh Jadav, Araveeti Madhusudana Reddy, Joël Boustie, Françoise Le Devehat, Ashok Kumar Tiwari and Katragadda Suresh Babu

Molecules, 2023, 28, 7840
DOI: 10.3390/molecules28237840

Ibotenic acid: on the mechanism of its conversion to [3H] muscimol

Crist N. Filer

J Radioanal Nucl Chem, 2018, 318, 2033
DOI: 10.1007/s10967-018-6203-8

Synthesis, Characterization, Single-Crystal X-ray Structure and Biological Activities of [(Z)-N′-(4-Methoxybenzylidene)benzohydrazide–Nickel(II)] Complex

Inas Al-Qadsy, Abdel-Basit Al-Odayni, Waseem Sharaf Saeed, Ali Alrabie, Arwa Al-Adhreai, Lena Ahmed Saleh Al-Faqeeh, Prem Lama, Abdulaziz Ali Alghamdi and Mazahar Farooqui

Crystals, 2021, 11, 110
DOI: 10.3390/cryst11020110

A review on structural elucidation of metabolites of environmental steroid hormones via liquid chromatography–mass spectrometry

Li Ma and Scott R. Yates

TrAC Trends in Analytical Chemistry, 2018, 109, 142
DOI: 10.1016/j.trac.2018.10.007

Aflatoxins produced by Aspergillus nomius ASR3, a pathogen isolated from the leaf-cutter ant Atta sexdens rubropilosa

Eduardo Afonso da Silva-Junior, Camila Raquel Paludo, Lohan Valadares, Norberto Peporine Lopes, Fábio Santos do Nascimento and Mônica Tallarico Pupo

Revista Brasileira de Farmacognosia, 2017, 27, 529
DOI: 10.1016/j.bjp.2017.05.001

Biosynthesis of Calipyridone A Represents a Fungal 2-Pyridone Formation without Ring Expansion in Aspergillus californicus

Yaojie Guo, Fabiano J. Contesini, Xinhui Wang, Simone Ghidinelli, Ditte S. Tornby, Thomas E. Andersen, Uffe H. Mortensen and Thomas O. Larsen

Org. Lett., 2022, 24, 804
DOI: 10.1021/acs.orglett.1c03792

Probing the OH Oxidation of Pinonic Acid at the Air–Water Interface Using Field-Induced Droplet Ionization Mass Spectrometry (FIDI-MS)

Yuanlong Huang, Kevin M. Barraza, Christopher M. Kenseth, Ran Zhao, Chen Wang, J. L. Beauchamp and John H. Seinfeld

J. Phys. Chem. A, 2018, 122, 6445
DOI: 10.1021/acs.jpca.8b05353

Auranthine, a Benzodiazepinone from Penicillium aurantiogriseum: Refined Structure, Absolute Configuration, and Cytotoxicity

Svetlana A. Kalinina, Dmitrii V. Kalinin, Yannick Hövelmann, Constantin G. Daniliuc, Christian Mück-Lichtenfeld, Benedikt Cramer and Hans-Ulrich Humpf

J. Nat. Prod., 2018, 81, 2177
DOI: 10.1021/acs.jnatprod.8b00187

Liquid Chromatography Quadrupole Time-of-Flight Mass Spectrometry Analysis of Eutectic Bis(2,2-dinitropropyl) Acetal/Formal Degradation Profile: Nontargeted Identification of Antioxidant Derivatives

Kitmin Chen, Alexander S. Edgar, Julie Jung, Joel D. Kress, Camille H. Wong and Dali Yang

ACS Omega, 2022, 7, 35316
DOI: 10.1021/acsomega.2c05011

Adduct-Induced Variability in Tandem Mass Spectrometry

Botao Liu, Zhifeng Tang and Tao Huan

Anal. Chem., 2025, 97, 17058
DOI: 10.1021/acs.analchem.5c02792

Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy

Ivana Blaženović, Tobias Kind, Hrvoje Torbašinović, Slobodan Obrenović, Sajjan S. Mehta, Hiroshi Tsugawa, Tobias Wermuth, Nicolas Schauer, Martina Jahn, Rebekka Biedendieck, Dieter Jahn and Oliver Fiehn

J Cheminform, 2017, 9
DOI: 10.1186/s13321-017-0219-x

Characterization of aporphine alkaloids by electrospray ionization tandem mass spectrometry and density functional theory calculations

Fausto Carnevale Neto, Márcio Adriano Andréo, Daniel Raftery, João Luis Callegari Lopes, Norberto Peporine Lopes, Ian Castro‐Gamboa, Beatriz Helena Lameiro de Noronha Sales Maia, Emmanoel Vilaça Costa and Ricardo Vessecchi

Rapid Comm Mass Spectrometry, 2020, 34
DOI: 10.1002/rcm.8533

Secreted Metabolome of Human Macrophages Exposed to Methamphetamine

Katarzyna Pawlak, Katarzyna Lech, Akou Vei, Sydney Burch, Sarah Zieschang, Spencer Jaquet, Fang Yu, Emma Harwood, Brenda Morsey, Howard S. Fox and Pawel Ciborowski

Anal. Chem., 2019, 91, 9190
DOI: 10.1021/acs.analchem.9b01952

Strategy for the quality control of herbal preparations made of Sarcocephalus latifolius: Development and validation of a UHPLC‐PDA method for quantification of angustoline and strictosamide and chemical profiling using LC‐QToF

Nassifatou Koko Tittikpina, Kumar Katragunta, Bharathi Avula, Zulfiqar Ali and Ikhlas A. Khan

Phytochemical Analysis, 2023, 34, 105
DOI: 10.1002/pca.3183

Metabolization of the Advanced Glycation End Product N-ε-Carboxymethyllysine (CML) by Different Probiotic E. coli Strains

Michael Hellwig, Christian Auerbach, Nicole Müller, Pauline Samuel, Sophie Kammann, Falco Beer, Florian Gunzer and Thomas Henle

J. Agric. Food Chem., 2019, 67, 1963
DOI: 10.1021/acs.jafc.8b06748

A Comprehensive High-Resolution Targeted Workflow for the Deep Profiling of Sphingolipids

Bing Peng, Susan T. Weintraub, Cristina Coman, Srigayatri Ponnaiyan, Rakesh Sharma, Björn Tews, Dominic Winter and Robert Ahrends

Anal. Chem., 2017, 89, 12480
DOI: 10.1021/acs.analchem.7b03576

Paenibacillus polymyxa Associated with the Stingless Bee Melipona scutellaris Produces Antimicrobial Compounds against Entomopathogens

Carla Menegatti, Weilan Gomes Da Paixão Melo, Daniel Blascke Carrão, Anderson Rodrigo Moraes De Oliveira, Fabio Santos Do Nascimento, Norberto Peporine Lopes and Mônica Tallarico Pupo

J Chem Ecol, 2018, 44, 1158
DOI: 10.1007/s10886-018-1028-z

Dereplication of phenolic derivatives of three Erythroxylum species using liquid chromatography coupled with ESI‐MSn and HRESIMS

César Augusto Gonçalves Dantas, Lucas Silva Abreu, Hidna Nascimento da Cunha, Carlos Arthur Gouveia Veloso, Augusto Lopes Souto, Maria de Fátima Agra, Vicente Carlos de Oliveira Costa, Marcelo Sobral da Silva and Josean Fechine Tavares

Phytochemical Analysis, 2021, 32, 1011
DOI: 10.1002/pca.3043

Identification of novel unique mānuka honey markers using high-resolution mass spectrometry-based metabolomics

Francisco José Díaz-Galiano, Horacio Heinzen, María José Gómez-Ramos, María Murcia-Morales and Amadeo R. Fernández-Alba

Talanta, 2023, 260, 124647
DOI: 10.1016/j.talanta.2023.124647

Mass spectrometry‐based gas phase intramolecular benzyl migration in sparsentan, a novel endothelin and angiotensin II receptor antagonist

Sudam S. Mane, Manoj Ghaste and David V. Dearden

J Mass Spectrom, 2023, 58
DOI: 10.1002/jms.4980

From flesh to bones: Multi‐omics approaches in forensic science

Noemi Procopio and Andrea Bonicelli

Proteomics, 2024, 24
DOI: 10.1002/pmic.202200335

Nontargeted Screening for Flavonoids in Salicornia Plant by Reversed-Phase Liquid Chromatography–Electrospray Orbitrap Data-Dependent MS2/MS3

Maroussia Parailloux, Simon Godin and Ryszard Lobinski

Molecules, 2023, 28, 3022
DOI: 10.3390/molecules28073022

Mass spectrometry as a versatile ancillary technique for the rapidin situidentification of lichen metabolites directly from TLC plates

Pierre LE POGAM, Aline PILLOT, Françoise LOHEZIC-LE DEVEHAT, Anne-Cécile LE LAMER, Béatrice LEGOUIN, Alice GADEA, Aurélie SAUVAGER, Damien ERTZ and Joël BOUSTIE

The Lichenologist, 2017, 49, 507
DOI: 10.1017/S0024282917000433

Metabolic study of cafestol using in silico approach, zebrafish water tank experiments and liquid chromatography high-resolution mass spectrometry analyses

Cyrus Veiga Andriolo, Fábio Junior M. Novaes, Henrique Marcelo Gualberto Pereira, Vinícius Figueiredo Sardela and Claudia Moraes Rezende

Journal of Chromatography B, 2021, 1186, 123028
DOI: 10.1016/j.jchromb.2021.123028

Antimicrobial and antioxidant activities of flavonoids isolated from wood of sweet cherry tree (Prunus avium L.)

Juan Ortega-Vidal, Antonio Cobo, Elena Ortega-Morente, Antonio Gálvez, Alfonso Alejo-Armijo, Sofía Salido and Joaquín Altarejos

Journal of Wood Chemistry and Technology, 2021, 41, 104
DOI: 10.1080/02773813.2021.1910712

Profiling of Biologically Active Metabolites of Spergula fallax L. Using High-resolution UPLC-QTOF-MS

Taghreed Ibrahim, Mostafa Hegazy and Atef El-Hela

CPB, 2022, 23, 1758
DOI: 10.2174/1389201023666220209125306

On the autoxidation of terpenes: Detection of oxygenated and aromatic products

Zahraa Dbouk, Nesrine Belhadj, Maxence Lailliau, Roland Benoit and Philippe Dagaut

Fuel, 2024, 358, 130306
DOI: 10.1016/j.fuel.2023.130306

Charge‐solvated versus protonated salt forms of cyclodepsipeptide toxins in electrospray: Dissociation of alkali‐cationized forms enables straightforward sequencing of cereulide

Sophie Liuu, Kam eng Trinh, Ekaterina Darii, Chenqin Cao, Annelaure Damont, Yves Gimbert, François Fenaille, Yassine Makni, Chanthadary Inthavong, Gwenaëlle Lavison‐Bompard, Jacques‐Antoine Hennekinne, Olivier Firmesse and Jean‐Claude Tabet

J Mass Spectrom, 2024, 59
DOI: 10.1002/jms.5037

GC–MS and LC–MS/MS workflows for the identification and quantitation of pyrrolizidine alkaloids in plant extracts, a case study: Echium plantagineum

Alexandra Sixto, Andrés Pérez-Parada, Silvina Niell and Horacio Heinzen

Revista Brasileira de Farmacognosia, 2019, 29, 500
DOI: 10.1016/j.bjp.2019.04.010

Marine-derived Acremonium strain prioritization using untargeted metabolomics approach for the identification of cytotoxic cyclic depsipeptides

Sailesh Maharjan, Johan Isaksson, Teppo Rämä, Kine Østnes Hansen, Jeanette Hammer Andersen and Espen Holst Hansen

BMC Biotechnol, 2025, 25
DOI: 10.1186/s12896-025-01065-2

Insight into in silico prediction and chemical degradation study of osimertinib mesylate by LC-HRMS and NMR: Investigation of a typical case of alkaline pH-mediated oxidative degradation product

Vivek Dhiman, Balasaheb B. Chavan, Niharika Ramarapu and Gananadhamu Samanthula

Eur J Mass Spectrom (Chichester), 2023, 29, 123
DOI: 10.1177/14690667231162345

Metabolic profile and safety of piperlongumine

Fernanda de Lima Moreira, Maísa D. Habenschus, Thiago Barth, Lucas M. M. Marques, Alan Cesar Pilon, Vanderlan da Silva Bolzani, Ricardo Vessecchi, Norberto P. Lopes and Anderson R. M. de Oliveira

Sci Rep, 2016, 6
DOI: 10.1038/srep33646

Antifungal and cytotoxicity activities and new proanthocyanidins isolated from the barks of Inga laurina (Sw.) Willd

Carla de Moura Martins, Sérgio A.L. de Morais, Mário M. Martins, Luís C.S. Cunha, Cláudio V. da Silva, Thaise Lara Teixeira, Mariana B. Santiago, Francisco J.T. de Aquino, Evandro A. Nascimento, Roberto Chang, Carlos H.G. Martins and Alberto de Oliveira

Phytochemistry Letters, 2020, 40, 109
DOI: 10.1016/j.phytol.2020.10.001

Multilaboratory Study of a Nontarget Data Acquisition for Target Analysis (nDATA) Workflow Using Ultrahigh-Performance Liquid Chromatography-High-Resolution Mass Spectrometry for the Screening of 1087 Pesticides in Fresh Fruits and Vegetables

Jon W. Wong, Jian Wang, Willis Chow, Roland Carlson, Antony J. Williams, Neil Lingenfelter, Kevin Nguyen, Tiffany Tu, Nirmal Saini, Kai Zhang, Douglas G. Hayward and James S. Chang

J. Agric. Food Chem., 2025, 73, 8632
DOI: 10.1021/acs.jafc.5c00264

Charge migration fragmentation in the negative ion mode of cyclopentenone and cyclopentanone intermediates in the biosynthesis of jasmonates

Ernst H. Oliw and Mats Hamberg

Rapid Comm Mass Spectrometry, 2020, 34
DOI: 10.1002/rcm.8665

Analysis of chemical constituents of Sabia parviflora by ultrahigh performance liquid chromatography quadrupole time of flight tandem mass spectrometry

Wenhao Liu, Huan He, Zhiqiang Li, Qiang Zhou, Bin Zhou, Zhi Feng Li, Tongfei Zhu and yulin Feng

Journal of Chromatography A, 2023, 1687, 463650
DOI: 10.1016/j.chroma.2022.463650

Rapid Detection of Plasticizer Migration From UV‐Aged PVC Films by DART‐HRMS

Odilon Leite‐Barbosa, Marcelo Ferreira Leão de Oliveira, Márcia Gomes de Oliveira, Monica Costa Padilha and Valdir Florêncio Veiga‐Junior

Rapid Comm Mass Spectrometry, 2026, 40
DOI: 10.1002/rcm.70048

Profiling of antiviral and antioxidant phytochemicals of Pterocephalus frutescens hochist. using high-resolution ultra-performance liquid chromatography/quadrupole time-of-flight mass spectrometer

AtefA El-Hela, MostafaM Hegazy, MarwaS Abu Bakr and HatemS Abbass

Phcog Mag, 2020, 16, 592
DOI: 10.4103/pm.pm_558_19

Liquid chromatographic determination of lumacaftor in the presence of ivacaftor and identification of five novel degradation products using high‐performance liquid chromatography ion trap time‐of‐flight mass spectrometry

Saniye Özcan, Ülfet Erdoğan Uzunoğlu, Serkan Levent and Nafiz Öncü Can

J of Separation Science, 2023, 46
DOI: 10.1002/jssc.202300228

Nanoparticle‐Assisted Cation Adduction and Fragmentation of Small Metabolites

Shiyu Sun, Wanshan Liu, Jing Yang, Hang Wang and Kun Qian

Angewandte Chemie, 2021, 133, 11411
DOI: 10.1002/ange.202100734

The unusual fragmentation of long‐chain feruloyl esters under negative ion electrospray conditions

Jürgen Schmidt, Dietmar Kuck, Katrin Franke, Haider Sultani, Annegret Laub and Ludger A. Wessjohann

J Mass Spectrom, 2019, 54, 549
DOI: 10.1002/jms.4357

Characterisation of flavonoids from methanolic extract of Brucea javanica leaves using feature-based molecular networking, SIRIUS5, and NMR spectroscopy

Anis Irfan Norazhar, Nurulfazlina Edayah Rasol, Nor Syaidatul Akmal Mohd Yousof, Nor Hadiani Ismail and Syahrul Imran

Natural Product Research, 2025, 1
DOI: 10.1080/14786419.2025.2591173

A spectroscopic test suggests that fragment ion structure annotations in MS/MS libraries are frequently incorrect

Lara van Tetering, Sylvia Spies, Quirine D. K. Wildeman, Kas J. Houthuijs, Rianne E. van Outersterp, Jonathan Martens, Ron A. Wevers, David S. Wishart, Giel Berden and Jos Oomens

Commun Chem, 2024, 7
DOI: 10.1038/s42004-024-01112-7

Fragmentation studies of selected drugs utilized in palliative care

Tomasz Grześkowiak, Agnieszka Zgoła-Grześkowiak, Danuta Rusińska-Roszak, Iwona Zaporowska-Stachowiak and Magdalena Jeszka-Skowron

Eur J Mass Spectrom (Chichester), 2018, 24, 420
DOI: 10.1177/1469066718812459

Nutraceutical polyphenols: New analytical challenges and opportunities

Simona Piccolella, Giuseppina Crescente, Lorenzo Candela and Severina Pacifico

Journal of Pharmaceutical and Biomedical Analysis, 2019, 175, 112774
DOI: 10.1016/j.jpba.2019.07.022

UHPLC-ESI-Orbitrap-HR-MS Analysis of Cyclopeptide Alkaloids From Ziziphus joazeiro

Carlos Henrique Corrêa dos Santos, Mário Geraldo de Carvalho, Annegret Laub, Katrin Franke and Ludger Wessjohann

Natural Product Communications, 2021, 16
DOI: 10.1177/1934578X211054955

Spectral and chromatographic analysis of food-related components produced by bacteria, plants, and fungi. A review

Fabio Granados-Chinchilla

Microchemical Journal, 2023, 195, 109499
DOI: 10.1016/j.microc.2023.109499

Key Aspects of Amadori Rearrangement Products as Future Food Additives

Yue Luo, Shiming Li and Chi-Tang Ho

Molecules, 2021, 26, 4314
DOI: 10.3390/molecules26144314

Differentiation between 3,4- and 4,15-Epoxyeudesmanolides by Electrospray Ionization Tandem Mass Spectrometry

Herbert Júnior Dias, Ricardo Stefani, José Carlos Tomaz, Ricardo Vessecchi and Antônio Eduardo Miller Crotti

Journal of Analytical Methods in Chemistry, 2017, 2017, 1
DOI: 10.1155/2017/7921867

Synthetic Derivatives of (+)-epi-α-Bisabolol Are Formed by Mammalian Cytochromes P450 Expressed in a Yeast Reconstituted Pathway

Arthur Sarrade-Loucheur, Dae-Kyun Ro, Régis Fauré, Magali Remaud-Siméon and Gilles Truan

ACS Synth. Biol., 2020, 9, 368
DOI: 10.1021/acssynbio.9b00399

Dereplication by HPLC‐DAD‐ESI‐MS/MS and Screening for Biological Activities of Byrsonima Species (Malpighiaceae)

Karina Fraige, Alessandra Cristina Dametto, Maria Luiza Zeraik, Larissa de Freitas, Amanda Correia Saraiva, Alexandra Ivo Medeiros, Ian Castro‐Gamboa, Alberto José Cavalheiro, Dulce Helena S. Silva, Norberto Peporine Lopes and Vanderlan S. Bolzani

Phytochemical Analysis, 2018, 29, 196
DOI: 10.1002/pca.2734

Marine Streptomyces sp. Isolated From the Brazilian Endemic Tunicate Euherdmania sp. Produces Dihydroeponemycin and Analogs With Potent Antiglioma Activity

Luciana C. Furtado, Anelize Bauermeister, Rafael de Felicio, Raquel Ortega, Francisco das Chagas L. Pinto, João Agostinho Machado-Neto, Daniela B. B. Trivella, Otilia D. L. Pessoa, Diego V. Wilke, Norberto P. Lopes, Paula C. Jimenez and Leticia V. Costa-Lotufo

Front. Mar. Sci., 2021, 8
DOI: 10.3389/fmars.2021.644730

Molecular Networking Discloses the Chemical Diversity of Flavonoids and Selaginellins in Selaginella convoluta

Fernanda Priscila Santos Reginaldo, Paula Carolina Pires Bueno, Isabelly CristinaMatos Costa de, AlanAraújo Roque de, Arthur Germano Fett-Neto, Alberto José Cavalheiro and Raquel Brandt Giordani

Planta Med, 2021, 87, 113
DOI: 10.1055/a-1315-0666

Derivatives Incorporating Acridine, Pyrrole, and Thiazolidine Rings as Promising Antitumor Agents

Monika Garberová, Ivan Potočňák, Monika Tvrdoňová, Monika Majirská, Martina Bago-Pilátová, Slávka Bekešová, Andrej Kováč, Peter Takáč, Krutika Khiratkar, Zuzana Kudličková, Ján Elečko and Mária Vilková

Molecules, 2023, 28, 6616
DOI: 10.3390/molecules28186616

Advancing PROTAC Characterization: Structural Insights through Adducts and Multimodal Tandem-MS Strategies

Mohammed Rahman, Bryan Marzullo, Stephen W. Holman, Mark Barrow, Andrew D. Ray and Peter B. O’Connor

J. Am. Soc. Mass Spectrom., 2024, 35, 285
DOI: 10.1021/jasms.3c00342

Gas‐phase fragmentation reactions of protonated cocaine: New details to an old story

Herbert J. Dias, Mariana V. B. Bento, Éder H. da Silva, Andrade Saturnino‐Júnior, Marcelo F. de Oliveira, Ricardo Vessecchi, Renato L. T. Parreira and Antônio E. M. Crotti

J Mass Spectrom, 2018, 53, 203
DOI: 10.1002/jms.4053

Integrative open workflow for confident annotation and molecular networking of metabolomics MSE/DIA data

Albert Katchborian-Neto, Matheus F Alves, Paula C P Bueno, Karen de Jesus Nicácio, Miller S Ferreira, Tiago B Oliveira, Henrique Barbosa, Michael Murgu, Ana C C de Paula Ladvocat, Danielle F Dias, Marisi G Soares, João H G Lago and Daniela A Chagas-Paula

Briefings in Bioinformatics, 2024, 25
DOI: 10.1093/bib/bbae013

CID fragment annotation from data-independent experiments in non-target organic aerosol analysis: presenting an easy-to-use tool

Niklas Karbach and Thorsten Hoffmann

Anal Bioanal Chem, 2025, 417, 6961
DOI: 10.1007/s00216-025-06184-5

Revisiting Fragmentation Reactions of Protonated α-Amino Acids by High-Resolution Electrospray Ionization Tandem Mass Spectrometry with Collision-Induced Dissociation

Pengwei Zhang, Wan Chan, Irene L. Ang, Rui Wei, Melody M. T. Lam, Kate M. K. Lei and Terence C. W. Poon

Sci Rep, 2019, 9
DOI: 10.1038/s41598-019-42777-8

The investigation of substituent effects on the fragmentation pathways of pentacoordinated phenoxyspirophosphoranes by ESI‐MSn

Xiaoyan Cui, Can Sun, Pei Zhao, Yanyan Wang, Yanchun Guo, Yufen Zhao and Shuxia Cao

J Mass Spectrom, 2018, 53, 314
DOI: 10.1002/jms.4064

Challenges, Advances and Opportunities in Exploring Natural Products to Control Arboviral Disease Vectors

Daniel P. Demarque and Laila S. Espindola

Front. Chem., 2021, 9
DOI: 10.3389/fchem.2021.779049

Environmental degradation of the anticancer drug encorafenib: Evidence for cyclisation through aromatic ring flip under photolytic conditions

Srinivas Reddy Dannarm, Bharath Reddy Gottimukkula, Choudhary Sampat Dhalaram, Gangireddy Navitha Reddy and Rajesh Sonti

Microchemical Journal, 2025, 214, 113885
DOI: 10.1016/j.microc.2025.113885

Bioprospecting-based untargeted metabolomics identifies alkaloids as potential anti-inflammatory bioactive markers of Ocotea species (Lauraceae)

Albert Katchborian-Neto, Karen de Jesus Nicácio, Jonas C. Cruz, Paula Carolina Pires Bueno, Michael Murgu, Danielle F. Dias, Marisi G. Soares, Ana C.C. Paula and Daniela A. Chagas-Paula

Phytomedicine, 2023, 120, 155060
DOI: 10.1016/j.phymed.2023.155060

Impact of West African treatment practices on phenolic profiles in shea kernels

Romina A. Forte Neran, Ella Walbeogo, Yaya Dao, Tore K. Ravn, Berit Kristensen, Jan H. Christensen and Nikoline J. Nielsen

Food Chemistry, 2025, 487, 144832
DOI: 10.1016/j.foodchem.2025.144832

Rapid Dereplication of Bioactive Compounds in Plant and Food Extracts Using Liquid Chromatography–Electrospray–Tandem Mass Spectrometry

Naheed Akhtar, Adeeba Khadim, Syed Usama Yaseen Jeelani, Bibi Zareena, Arslan Ali, Jalal Uddin, Hesham R. El‐Seedi, Satyajit D. Sarker, Muhammad Ramzan and Syed Ghulam Musharraf

Analytical Science Advances, 2025, 6
DOI: 10.1002/ansa.70038

Electrospray ionization tandem mass spectrometry of labdane‐type acid diterpenes

Gabriela P. Aguiar, Eduardo J. Crevelin, Herbert J. Dias, Sérgio R. Ambrósio, Jairo K. Bastos, Vladimir C. G. Heleno, Ricardo Vessecchi and Antônio E. M. Crotti

J Mass Spectrom, 2018, 53, 1086
DOI: 10.1002/jms.4284

18O/16O‐Encoding Strategy for Microscale Stereochemical Determination of Peptidic Natural Products

Aoi Takeuchi, Hiroaki Itoh and Masayuki Inoue

Chemistry An Asian Journal, 2021, 16, 2447
DOI: 10.1002/asia.202100674

Mediterranean mussels (Mytilus galloprovincialis) exposure to fluoxetine: Bioaccumulation and biotransformation products

E. Lemaire, E. Gomez, N. Le Yondre, A. Malherbe and F. Courant

Chemosphere, 2024, 365, 143314
DOI: 10.1016/j.chemosphere.2024.143314

Electrospray ionization mass spectrometry adduct formation by mobile phase additives: A case study using nitrile functional groups containing selective androgen receptor modulators

Tajudheen Kunhamu Karatt, Meleparappil Muhammed Ajeebsanu, Abdul Khader Karakka Kal, Michael Benedict Subhahar, Mohamedkhani Anwar Sathiq and Saraswathy Laya

Rapid Comm Mass Spectrometry, 2023, 37
DOI: 10.1002/rcm.9530

A strategy for intelligent chemical profiling-guided precise quantitation of multi-components in traditional Chinese medicine formulae-QiangHuoShengShi decoction

Jiading Guo, Lei Zhang, Ye Shang, Xiaohua Yang, Jin Li, Jun He, Xiumei Gao and Yan-xu Chang

Journal of Chromatography A, 2021, 1649, 462178
DOI: 10.1016/j.chroma.2021.462178

Teaching mass spectrometry: A compilation of approaches to teaching theory and practice of mass spectrometry

Rafał Frański

Eur J Mass Spectrom (Chichester), 2024, 30, 87
DOI: 10.1177/14690667241237431

Gas-Phase Fragmentation of Coenzyme Q10 Radical Anion Generated by APCI: A Study by High/Low-Resolution Tandem/Sequential Mass Spectrometry

Mariachiara Bianco, Ilario Losito, Giovanni Ventura, Beniamino Leoni, Onofrio Davide Palmitessa, Massimiliano Renna, Pietro Santamaria, Cosima Damiana Calvano and Tommaso R.I. Cataldi

J. Am. Soc. Mass Spectrom., 2025, 36, 318
DOI: 10.1021/jasms.4c00399

Comprehensive chemical profiling of wild Coffea racemosa, C. Zanguebariae, C. arabica, and C. canephora: A Metabolomic approach using LC-MSn and multivariate analysis

Marcos Valério Vieira Lyrio, Niquisse José Alberto, Danieli Grancieri Debona, Roberta Quintino Frinhani, José Cochicho Ramalho, Lucas Louzada Pereira, Eustáquio Vinícius Ribeiro de Castro, Fábio Luiz Partelli and Wanderson Romão

Food Chemistry, 2025, 481, 144062
DOI: 10.1016/j.foodchem.2025.144062

Honest nutraceuticals, cosmetics, therapies, and foods (NCTFs): standardization and safety of natural products

Nicholas John Sadgrove

Critical Reviews in Food Science and Nutrition, 2022, 62, 4326
DOI: 10.1080/10408398.2021.1874286

Dereplication and quantification of the ethanol extract of Miconia albicans (Melastomaceae) by HPLC-DAD-ESI-/MS/MS, and assessment of its anti-hyperalgesic and anti-inflammatory profiles in a mice arthritis-like model: Evidence for involvement of TNF-α, IL-1β and IL-6

Lucindo J. Quintans-Júnior, Sathiyabama R. Gandhi, Fabiolla R.Santos Passos, Luana Heimfarth, Erik W.Menezes Pereira, Brenda S. Monteiro, Katielen Silvana dos Santos, Marcelo Cavalcante Duarte, Lucas Silva Abreu, Yuri M. Nascimento, Josean F. Tavares, Marcelo S. Silva, Irwin R.A. Menezes, Henrique D.M. Coutinho, Ádley A.N. Lima, Gokhan Zengin and Jullyana S.S. Quintans

Journal of Ethnopharmacology, 2020, 258, 112938
DOI: 10.1016/j.jep.2020.112938

Cool Flame of Methylcyclohexene Isomers in a Jet-Stirred Reactor: Orbitrap Characterization of Highly Oxidized Products

Zahraa Dbouk, Bakr Hoblos, Roland Benoit, Nesrine Belhadj and Philippe Dagaut

Energy Fuels, 2024, 38, 20777
DOI: 10.1021/acs.energyfuels.4c03753

Peanut skin polyphenols inhibit toxicity induced by advanced glycation end-products in RAW264.7 macrophages

Annayara Celestina Ferreira Fernandes, Natália Carolina Vieira, Ádina Lima de Santana, Renata Luana de Pádua Gandra, Camila Rubia, Ian Castro-Gamboa, Juliana Alves Macedo and Gabriela Alves Macedo

Food and Chemical Toxicology, 2020, 145, 111619
DOI: 10.1016/j.fct.2020.111619

Paraisariamides: Cycloheptapeptide Toxins from Entomopathogenic Fungi (Paraisaria spp.) That Inhibit Total Protein Synthesis

Richard M. Tehan, Daphne R. Mattos, Takumi Arai, Rikito Suzuki, Anja O. Paatero, Dale Tranter, Connor B. Dooley, Gisele J. Rodriguez, Joseph W. Spatafora, Ville O. Paavilainen, Shinya Oishi, Jane E. Ishmael and Kerry L. McPhail

J. Nat. Prod., 2026, 89, 82
DOI: 10.1021/acs.jnatprod.5c01111

Application of High-Resolution Mass Spectrometry and a Theoretical Model to the Quantification of Multifunctional Carbonyls and Organic Acids in e-Cigarette Aerosol

Yichen Li, Amanda E. Burns, Guy J.P. Burke, Morgan E. Poindexter, Amy K. Madl, Kent E. Pinkerton and Tran B. Nguyen

Environ. Sci. Technol., 2020, 54, 5640
DOI: 10.1021/acs.est.9b07387

Dissociative protonation and long-range proton migration: The chemistry of singly- and doubly-protonated tigecycline

Ya-Ping Tu

International Journal of Mass Spectrometry, 2018, 434, 164
DOI: 10.1016/j.ijms.2018.09.025

Collision‐induced mass spectrometric fragmentation of protonated dimethoate and omethoate generated by electrospray ionization

Harald John, Markus Siegert, Andreas Kranawetvogl and Horst Thiermann

Rapid Comm Mass Spectrometry, 2019, 33, 259
DOI: 10.1002/rcm.8343

Distribution of 5,6-dihydro-α-pyrones by electrospray ionization ion trap mass spectrometry in different aerial parts of Hyptis monticola

Aline Soares da Silva, Lucero Martínez-Fructuoso, Rosineide Costa Simas, Gilda Guimarães Leitão, Mabel Fragoso-Serrano, Yasmim Santana Barros, Diego Ramalho de Souza, Rogelio Pereda-Miranda and Suzana Guimarães Leitão

Phytochemistry, 2021, 185, 112706
DOI: 10.1016/j.phytochem.2021.112706

Combining OSMAC Approach and Untargeted Metabolomics for the Identification of New Glycolipids with Potent Antiviral Activity Produced by a Marine Rhodococcus

Fortunato Palma Esposito, Rosa Giugliano, Gerardo Della Sala, Giovanni Andrea Vitale, Carmine Buonocore, Janardhan Ausuri, Christian Galasso, Daniela Coppola, Gianluigi Franci, Massimiliano Galdiero and Donatella de Pascale

IJMS, 2021, 22, 9055
DOI: 10.3390/ijms22169055

Improved deconvolution of natural products’ protein targets using diagnostic ions from chemical proteomics linkers

Andreas Wiest and Pavel Kielkowski

Beilstein J. Org. Chem., 2024, 20, 2323
DOI: 10.3762/bjoc.20.199

Impact of Protonation Sites on Collision-Induced Dissociation-MS/MS Using CIDMD Quantum Chemistry Modeling

Jesi Lee, Dean Joseph Tantillo, Lee-Ping Wang and Oliver Fiehn

J. Chem. Inf. Model., 2024, 64, 7457
DOI: 10.1021/acs.jcim.4c00761

Characterization of 3‐aminospirostane alkaloids from roots of Solanum paniculatum L. with hepatoprotective activity

Matheus Coutinho Gazolla, Lucas Maciel Mauriz Marques, Mariana Gama e Silva, Maria Taís Moura Fontes Araújo, Rosemairy Luciane Mendes, Jackson Roberto Guedes da Silva Almeida, Ricardo Vessecchi and Norberto Peporine Lopes

Rapid Comm Mass Spectrometry, 2020, 34
DOI: 10.1002/rcm.8705

Antiproliferative Activity and Antioxidant Potential of Extracts of Garcinia gardneriana

Simone da Cunha Demenciano, Magalli Costa Barbosa Lima e Silva, Caroline Almeida Farias Alexandrino, Wilson Hino Kato Junior, Patrícia de Oliveira Figueiredo, Walmir Silva Garcez, Raquel Pires Campos, Rita de Cássia Avellaneda Guimarães, Ulana Chaves Sarmento and Danielle Bogo

Molecules, 2020, 25, 3201
DOI: 10.3390/molecules25143201

Determination of ivacaftor by liquid chromatography techniques in pharmaceutical formulation with interlaboratory comparison and characterization of five novel degradation products by high‐performance liquid chromatography ion trap time‐of‐flight mass spectrometry

Saniye Özcan and Nafiz Öncü Can

J of Separation Science, 2023, 46
DOI: 10.1002/jssc.202201061

Structure Elucidation and Relative Toxicity of (24R)-24-Hydroxyyessotoxin from a Namibian Isolate of Gonyaulax spinifera

Isabelle Rajotte, Cheryl Rafuse, Elliott J. Wright, John C. Achenbach, Lee D. Ellis and Pearse McCarron

J. Nat. Prod., 2019, 82, 1945
DOI: 10.1021/acs.jnatprod.9b00318

Reproducible molecular networking of untargeted mass spectrometry data using GNPS

Allegra T. Aron, Emily C. Gentry, Kerry L. McPhail, Louis-Félix Nothias, Mélissa Nothias-Esposito, Amina Bouslimani, Daniel Petras, Julia M. Gauglitz, Nicole Sikora, Fernando Vargas, Justin J. J. van der Hooft, Madeleine Ernst, Kyo Bin Kang, Christine M. Aceves, Andrés Mauricio Caraballo-Rodríguez, Irina Koester, Kelly C. Weldon, Samuel Bertrand, Catherine Roullier, Kunyang Sun, Richard M. Tehan, Cristopher A. Boya P., Martin H. Christian, Marcelino Gutiérrez, Aldo Moreno Ulloa, Javier Andres Tejeda Mora, Randy Mojica-Flores, Johant Lakey-Beitia, Victor Vásquez-Chaves, Yilue Zhang, Angela I. Calderón, Nicole Tayler, Robert A. Keyzers, Fidele Tugizimana, Nombuso Ndlovu, Alexander A. Aksenov, Alan K. Jarmusch, Robin Schmid, Andrew W. Truman, Nuno Bandeira, Mingxun Wang and Pieter C. Dorrestein

Nat Protoc, 2020, 15, 1954
DOI: 10.1038/s41596-020-0317-5

Online Aerosol Chemical Characterization by Extractive Electrospray Ionization–Ultrahigh-Resolution Mass Spectrometry (EESI-Orbitrap)

Chuan Ping Lee, Matthieu Riva, Dongyu Wang, Sophie Tomaz, Dandan Li, Sebastien Perrier, Jay G. Slowik, Frederic Bourgain, Julia Schmale, Andre S. H. Prevot, Urs Baltensperger, Christian George and Imad El Haddad

Environ. Sci. Technol., 2020, 54, 3871
DOI: 10.1021/acs.est.9b07090

Electrospray ionization tandem mass spectrometry of deprotonated dihydrobenzofuran neolignans

Herbert J. Dias, Eduardo J. Crevelin, Vinicius Palaretti, Ricardo Vessecchi and Antônio E.M. Crotti

Rapid Comm Mass Spectrometry, 2021, 35
DOI: 10.1002/rcm.8990

Understanding the degradation behavior of masitinib by Stress testing, UHPLC, HRMS, NMR, APCI-MS, DFT and prediction of toxicity using in silico tools

Vivek Dhiman, Rahul Khemchandani, Laximan Velip, Deepak Mishra and Gananadhamu Samanthula

Journal of Pharmaceutical Sciences, 2025, 114, 103958
DOI: 10.1016/j.xphs.2025.103958

Mass Spectral Similarity Networking and Gas-Phase Fragmentation Reactions in the Structural Analysis of Flavonoid Glycoconjugates

Alan Cesar Pilon, Haiwei Gu, Daniel Raftery, Vanderlan da Silva Bolzani, Norberto Peporine Lopes, Ian Castro-Gamboa and Fausto Carnevale Neto

Anal. Chem., 2019, 91, 10413
DOI: 10.1021/acs.analchem.8b05479

Ultrasound assisted extraction and quantification of targeted bioactive compounds of Centella asiatica (Gotu Kola) by UHPLC-MS/MS MRM tandem mass spectroscopy

Rasangani Sabaragamuwa, Conrad O. Perera and Bruno Fedrizzi

Food Chemistry, 2022, 371, 131187
DOI: 10.1016/j.foodchem.2021.131187

A novel strategy for rapid screening of the complex triterpene saponin mixture present in the methanolic extract of blackberry leaves (Rubus cv. Loch Ness) by UHPLC/QTOF-MS

Ana Gradillas, Mª Paz Martínez-Alcázar, Enrique Gutiérrez, Beatriz Ramos-Solano and Antonia García

Journal of Pharmaceutical and Biomedical Analysis, 2019, 164, 47
DOI: 10.1016/j.jpba.2018.10.014

Neutral losses of sodium benzoate and benzoic acid in the fragmentation of the [M + Na]+ ions of methoxyfenozide and tebufenozide via intramolecular rearrangement in electrospray ionization tandem mass spectrometry

Yunfeng Chai, Guanwei Gao, Shanshan Shen, Xin Liu and Chengyin Lu

Rapid Comm Mass Spectrometry, 2017, 31, 245
DOI: 10.1002/rcm.7785

Gas‐phase fragmentation of protonated piplartine and its fungal metabolites using tandem mass spectrometry and computational chemistry

E. A. da Silva‐Junior, C. R. Paludo, D. R. Gouvea, M. J. Kato, N. A. J. C. Furtado, N. P. Lopes, R. Vessecchi and M. T. Pupo

J. Mass Spectrom., 2017, 52, 517
DOI: 10.1002/jms.3955

Beyond the Ground State: Predicting Electron Ionization Mass Spectra Using Excited-State Molecular Dynamics

Shunyang Wang, Tobias Kind, Parker Ladd Bremer, Dean J. Tantillo and Oliver Fiehn

J. Chem. Inf. Model., 2022, 62, 4403
DOI: 10.1021/acs.jcim.2c00597

Study of the Fragmentation Pathways of Sulfonamides by High-resolution Mass Spectrometry: Application to their Detection in Plasma by Direct Infusion

Maroula G. Kokotou

CPA, 2020, 16, 513
DOI: 10.2174/1573412915666181205115350

Characterization of wines with liquid chromatography electrospray ionization mass spectrometry: Quantification of amino acids via ionization efficiency values

Artur Gornischeff, Anneli Kruve and Riin Rebane

Journal of Chromatography A, 2020, 1620, 461012
DOI: 10.1016/j.chroma.2020.461012

Aromatic Chemical Constituent of Chimonanthus Nitens Oliv Leaf Profiling by UHPLC-Q/TOF-MS

Mailing Zou, Shanzheng Yang, Yongping Wang, Weiran Yang and Jinlong Chen

SSRN Journal, 2022
DOI: 10.2139/ssrn.4145413

Prediction of Fragmentation Pathway of Natural Products, Antibiotics, and Pesticides by ChemFrag

Jördis‐Ann Schüler, Annemarie E. Kramell, Antonia Schmidt, Pauline D. Walesch and René Csuk

J Mass Spectrom, 2025, 60
DOI: 10.1002/jms.5129

Fragmentation pathways of dihydro-metabolites of synthetic cathinones by high-resolution mass spectrometry on Orbitrap and quadrupole time-of-flight (qTOF) mass spectrometers

Luis Manuel Menéndez-Quintanal, Jose Manuel Matey, Marcelle D. Perretti and Nieves Rodríguez Paz

International Journal of Mass Spectrometry, 2026, 519, 117549
DOI: 10.1016/j.ijms.2025.117549

Dereplication and Isolation of Larvicidal Compounds From Annonaceae Species Against Aedes aegypti

Francisco D. M. de Sousa, Sophia M. Grossi, Gustavo C. Monteiro, Daniel P. Demarque and Laila S. Espindola

Rev. Bras. Farmacogn., 2020, 30, 123
DOI: 10.1007/s43450-020-00018-4

Anthocyanidins structural study using positive electrospray ionization triple quadrupole mass spectrometry and H/D exchange

Camila B. Poliseli, Marcos Ribeiro, Angelica P.P. Tonin, Julianna M. Vagula, Oscar O. Santos, Jesuí V. Visentainer, Rodrigo M. Pontes, Luiz A.B. Moraes and Eduardo C. Meurer

J Mass Spectrom, 2018, 53, 1230
DOI: 10.1002/jms.4293

Targeted mass spectrometry method for the determination of multiple gut-microbiota metabolites in human plasma

Sara R. Fernandes, Cristian Azorín, Eduarda M.P. Silva, Manuel Miró, Luisa Barreiros and Marcela A. Segundo

Journal of Chromatography B, 2025, 1265, 124764
DOI: 10.1016/j.jchromb.2025.124764

Top‐down lignomics analysis of the French pine lignin by atmospheric pressure photoionization quadrupole time‐of‐flight tandem mass spectrometry: Identification of a novel series of lignin–carbohydrate complexes

Abanoub Mikhael, Travis D. Fridgen, Michel Delmas and Joseph Banoub

Rapid Comm Mass Spectrometry, 2020, 34
DOI: 10.1002/rcm.8910

Untargeted Analysis for Mycosporines and Mycosporine-Like Amino Acids by Hydrophilic Interaction Liquid Chromatography (HILIC)—Electrospray Orbitrap MS2/MS3

Maroussia Parailloux, Simon Godin, Susana C. M. Fernandes and Ryszard Lobinski

Antioxidants, 2020, 9, 1185
DOI: 10.3390/antiox9121185

Antimicrobial and cytotoxic evaluation of Cassia and Senna species (Fabaceae) and annotation of chemical constituents by UPLC-(–)-ESI-MS/MS

Íngrede Ferreira Silva, Marcos Paulo Oliveira Almeida, Matheus Carvalho Barbosa, Joed Pires de Lima Júnior, Bellisa Freitas Barbosa, Daniela Silva Gonçalves, Carlos Henrique Gomes Martins, Amanda Danuello and Marcos Pivatto

South African Journal of Botany, 2025, 186, 675
DOI: 10.1016/j.sajb.2025.09.017

Untargeted Metabolomic to Access Chemical Differences Induced by Dual Endophyte Cultures Isolated from Euphorbia Umbellata

Amanda Santos Gusmão, João Carlos Silva Conceição, Stefane Moreira de Queiros Santos, Cecilia Lima Sampaio Pereira, Douglas Siqueira de Almeida Chaves, Karen de Jesus Nicácio, Daniela Aparecida Chagas‐Paula and Eliane de Oliveira Silva

Chemistry & Biodiversity, 2024, 21
DOI: 10.1002/cbdv.202400395

Imaging mass spectrometry and MS/MS molecular networking reveals chemical interactions among cuticular bacteria and pathogenic fungi associated with fungus-growing ants

Cristopher A. Boya P., Hermógenes Fernández-Marín, Luis C. Mejía, Carmenza Spadafora, Pieter C. Dorrestein and Marcelino Gutiérrez

Sci Rep, 2017, 7
DOI: 10.1038/s41598-017-05515-6

Electrospray ionization collision induced dissociation of thiocarbocyanine and selenocarbocyanine dyes

Małgorzata A. Kaczorowska and Beata Jędrzejewska

J Mass Spectrom, 2019, 54, 592
DOI: 10.1002/jms.4368

Investigations on the in vitro and in vivo metabolic fate of the new synthetic opioid desmethylmoramide using HPLC–HRMS/MS for toxicological screening purposes

Sascha K. Manier, Johannes Angert Valdiviezo, Niels Eckstein and Markus R. Meyer

Drug Testing and Analysis, 2024, 16, 309
DOI: 10.1002/dta.3546

Automatic MS/MS Data Mining Strategy for Discovering Target Natural Products: A Case of Lindenane Sesquiterpenoids

Yongyi Li, Shuai Zhao, Yunpeng Sun, Jixin Li, Yongyue Wang, Wenjun Xu, Jun Luo and Lingyi Kong

Anal. Chem., 2022, 94, 8514
DOI: 10.1021/acs.analchem.2c01559

Generating Molecular Fragmentation Graphs with Autoregressive Neural Networks

Samuel Goldman, Janet Li and Connor W. Coley

Anal. Chem., 2024, 96, 3419
DOI: 10.1021/acs.analchem.3c04654

Mining Small Molecules from Teredinibacter turnerae Strains Isolated from Philippine Teredinidae

Jamaine B. Villacorta, Camille V. Rodriguez, Jacquelyn E. Peran, Jeremiah D. Batucan, Gisela P. Concepcion, Lilibeth A. Salvador-Reyes and Hiyas A. Junio

Metabolites, 2022, 12, 1152
DOI: 10.3390/metabo12111152

Unravelling the Keto–Enol Tautomer Dependent Photochemistry and Degradation Pathways of the Protonated UVA Filter Avobenzone

Jacob A. Berenbeim, Natalie G. K. Wong, Martin C. R. Cockett, Giel Berden, Jos Oomens, Anouk M. Rijs and Caroline E. H. Dessent

J. Phys. Chem. A, 2020, 124, 2919
DOI: 10.1021/acs.jpca.0c01295

Comparative metabolomics applied for valorization of Mesquite (Prosopis juliflora (Sw. DC.) by-products as potential source of anti-inflammatory functional constituents

Reham S. Darwish, Marina A.A. Fares, Hala M.A. Hammoda, Abdelrahman M. Yassin, Doaa A. Ghareeb, Fathallah M. Harraz and Eman Shawky

Industrial Crops and Products, 2022, 176, 114344
DOI: 10.1016/j.indcrop.2021.114344

Competing fragmentation processes of β‐substituted propanoate ions upon collision‐induced dissociation

Luc M. LeBlanc, Sean W. Powers, J. Stuart Grossert and Robert L. White

Rapid Comm Mass Spectrometry, 2016, 30, 2133
DOI: 10.1002/rcm.7699

Highly Oxygenated Multifunctional Compounds in α-Pinene Secondary Organic Aerosol

Xuan Zhang, Andrew T. Lambe, Mary Alice Upshur, William A. Brooks, Ariana Gray Bé, Regan J. Thomson, Franz M. Geiger, Jason D. Surratt, Zhenfa Zhang, Avram Gold, Stephan Graf, Michael J. Cubison, Michael Groessl, John T. Jayne, Douglas R. Worsnop and Manjula R. Canagaratna

Environ. Sci. Technol., 2017, 51, 5932
DOI: 10.1021/acs.est.6b06588

Exploring the chemical profile of designer drugs by ESI(+) and PSI(+) mass spectrometry—An approach on the fragmentation mechanisms and chemometric analysis

Nayara A. dos Santos, Clebson J. Macrino, João Francisco Allochio Filho, Fernanda F. Gonçalves, Camila M. Almeida, Fabiana Agostini, Tainara Guizolfi, Sidnei Moura, Valdemar Lacerda, Paulo R. Filgueiras, Rafael S. Ortiz and Wanderson Romão

J Mass Spectrom, 2020, 55
DOI: 10.1002/jms.4596

UHPLC-HRMS/MS Chemical Fingerprinting of the Bioactive Partition from Cultivated Piper aduncum L.

Adélia Viviane de Luna, Thayssa da Silva Ferreira Fagundes, Ygor Jessé Ramos, Marlon Heggdorne de Araújo, Michelle Frazão Muzitano, Sanderson Dias Calixto, Thatiana Lopes Biá Ventura Simão, George Azevedo de Queiroz, Elsie Franklin Guimarães, André Mesquita Marques and Davyson de Lima Moreira

Molecules, 2024, 29, 1690
DOI: 10.3390/molecules29081690

Development of a Tandem Mass Spectral Library for the Detection of Triterpenoids in Plant Metabolome Based on Reference Standards

Bibi Zareena, Syed Usama Y. Jeelani, Adeeba Khadim, Arslan Ali, Jalal Uddin, Satyajit D. Sarker, Matthias Rainer, Shaden A. M. Khalifa, Hesham R. El-Seedi, Muhammad Ramzan and Syed Ghulam Musharraf

Plants, 2024, 13, 3278
DOI: 10.3390/plants13233278

Reactions of citrinin with amino compounds modelling thermal food processing

Lea Brückner, Benedikt Cramer and Hans-Ulrich Humpf

Mycotoxin Res, 2024, 40, 709
DOI: 10.1007/s12550-024-00557-y

Occurrence, distribution and removal of organic micro-pollutants in a low saline water body

Subha Sasi, Manoj P. Rayaroth, Charuvila T Aravindakumar and Usha K. Aravind

Science of The Total Environment, 2020, 749, 141319
DOI: 10.1016/j.scitotenv.2020.141319

Double bond localization in unsaturated rhamnolipid precursors 3-(3-hydroxyalkanoyloxy)alkanoic acids by liquid chromatography–mass spectrometry applying online Paternò–Büchi reaction

Viola Jeck, Matti Froning, Till Tiso, Lars M. Blank and Heiko Hayen

Anal Bioanal Chem, 2020, 412, 5601
DOI: 10.1007/s00216-020-02776-5

Aqueous Solution Equilibria and Spectral Features of Copper Complexes with Tripeptides Containing Glycine or Sarcosine and Leucine or Phenylalanine

Giselle M. Vicatos, Ahmed N. Hammouda, Radwan Alnajjar, Raffaele P. Bonomo, Gabriele Valora, Susan A. Bourne and Graham E. Jackson

Inorganics, 2022, 10, 8
DOI: 10.3390/inorganics10010008

LC-MS identification, isolation, and structural elucidation of anti-HIV macrocyclic daphnane orthoesters from Edgeworthia chrysantha

Kouharu Otsuki, Tsubasa Kobayashi, Kazuki Nakamura, Takashi Kikuchi, Li Huang, Chin-Ho Chen, Kazuo Koike and Wei Li

Fitoterapia, 2024, 172, 105731
DOI: 10.1016/j.fitote.2023.105731

Comprehensive identification of sphingolipid species by in silico retention time and tandem mass spectral library

Hiroshi Tsugawa, Kazutaka Ikeda, Wataru Tanaka, Yuya Senoo, Makoto Arita and Masanori Arita

J Cheminform, 2017, 9
DOI: 10.1186/s13321-017-0205-3

New Methods for the Comprehensive Analysis of Bioactive Compounds in Cannabis sativa L. (hemp)

Federica Pellati, Virginia Brighenti, Johanna Sperlea, Lucia Marchetti, Davide Bertelli and Stefania Benvenuti

Molecules, 2018, 23, 2639
DOI: 10.3390/molecules23102639

Structure Elucidation of Macrolide Antibiotics Using MSn Analysis and Deuterium Labelling

Andrew R. Johnson and Erin E. Carlson

J. Am. Soc. Mass Spectrom., 2019, 30, 1464
DOI: 10.1007/s13361-019-02210-w

Marine Bacteria from Rocas Atoll as a Rich Source of Pharmacologically Active Compounds

Karen Y. Velasco-Alzate, Anelize Bauermeister, Marcelo M. P. Tangerina, Tito M. C. Lotufo, Marcelo J. P. Ferreira, Paula C. Jimenez, Gabriel Padilla, Norberto P. Lopes and Letícia V. Costa-Lotufo

Marine Drugs, 2019, 17, 671
DOI: 10.3390/md17120671

A Mass Spectrometry-Based Approach for Characterization of Red, Blue, and Purple Natural Dyes

Katarzyna Lech and Emilia Fornal

Molecules, 2020, 25, 3223
DOI: 10.3390/molecules25143223

Determination of the potency of hexyl‐ciprofloxacin molecules that interact with gold nanoparticles in a reversible manner

Francisco Montero‐Silva, Marcelo J. Kogan, Iván Montenegro, Fanny Guzmán, Soledad Navarrete, Carolina Parra and Michael Seeger

IET Nanobiotechnology, 2019, 13, 320
DOI: 10.1049/iet-nbt.2018.5186

Quinone diterpenes from Salvia species: chemistry, botany, and biological activity

Angela Bisio, Francesca Pedrelli, Massimiliano D’Ambola, Fabiana Labanca, Anna Maria Schito, Rafaël Govaerts, Nunziatina De Tommasi and Luigi Milella

Phytochem Rev, 2019, 18, 665
DOI: 10.1007/s11101-019-09633-z

Industrial Scale Direct Liquefaction of E. globulus Biomass

Irina Fernandes, Maria Joana Neiva Correia, José Condeço, Duarte M. Cecílio, João Bordado and Margarida Mateus

Catalysts, 2023, 13, 1379
DOI: 10.3390/catal13101379

Identification of transformation products by high resolution mass spectrometry wide scope screening, and risk assessment for atrazine, carbamazepine, and sulfamethoxazole aqueous solution, resulting from UV-C/chlorination

Vitor M. Nilson, Nicole H. Lazzari, Suzan C. Zilli, Mariana R. Gama, Cristane S. Schwalm, Salatiel W. da Silva, Livia Streit and Tânia M. Pizzolato

International Journal of Mass Spectrometry, 2026, 520, 117555
DOI: 10.1016/j.ijms.2025.117555

MS-DIAL 5 multimodal mass spectrometry data mining unveils lipidome complexities

Hiroaki Takeda, Yuki Matsuzawa, Manami Takeuchi, Mikiko Takahashi, Kozo Nishida, Takeshi Harayama, Yoshimasa Todoroki, Kuniyoshi Shimizu, Nami Sakamoto, Takaki Oka, Masashi Maekawa, Mi Hwa Chung, Yuto Kurizaki, Saki Kiuchi, Kanako Tokiyoshi, Bujinlkham Buyantogtokh, Misaki Kurata, Aleš Kvasnička, Ushio Takeda, Haruki Uchino, Mayu Hasegawa, Junki Miyamoto, Kana Tanabe, Shigenori Takeda, Tetsuya Mori, Ryota Kumakubo, Tsuyoshi Tanaka, Tomoko Yoshino, Mami Okamoto, Hidenori Takahashi, Makoto Arita and Hiroshi Tsugawa

Nat Commun, 2024, 15
DOI: 10.1038/s41467-024-54137-w

Gas‐phase dissociation study of erythrinian alkaloids by electrospray ionization mass spectrometry and computational methods

T. Guaratini, L. G. P. Feitosa, D. B. Silva, N. P. Lopes, J. L. C. Lopes and R. Vessecchi

J. Mass Spectrom., 2017, 52, 571
DOI: 10.1002/jms.3962

Multi-targeted Screening of Phytoestrogens in Food, Raw Material, and Dietary Supplements by Liquid Chromatography with Tandem Mass Spectrometry

Ana Mornar, Tajana Buhač, Daniela Amidžić Klarić, Ilija Klarić, Miranda Sertić and Biljana Nigović

Food Anal. Methods, 2020, 13, 482
DOI: 10.1007/s12161-019-01653-x

Unlocking the Diversity of Pyrroloiminoquinones Produced by Latrunculid Sponge Species

Jarmo-Charles J. Kalinski, Rui W. M. Krause, Shirley Parker-Nance, Samantha C. Waterworth and Rosemary A. Dorrington

Marine Drugs, 2021, 19, 68
DOI: 10.3390/md19020068

Aspergillus Species from the Sabkha Marsh: Potential Antimicrobial and Anticancer Agents Revealed Through Molecular and Pharmacological Analysis

Bayan Sajer, Wafa Alshehri, Sahar Alghamdi, Rasha Suliman, Alhanouf Albejad and Haifa Hakmi

BTT, 2024, Volume 18, 207
DOI: 10.2147/BTT.S472491

Application of characteristic ion filtering with ultra-high performance liquid chromatography quadrupole time of flight tandem mass spectrometry for rapid detection and identification of chemical profiling in Eucommia ulmoides Oliv

Mingzhen He, Jia Jia, Junmao Li, Bei Wu, Wenping Huang, Mi Liu, Yan Li, Shilin Yang, Hui Ouyang and Yulin Feng

Journal of Chromatography A, 2018, 1554, 81
DOI: 10.1016/j.chroma.2018.04.036

Gut bacteria of Cuora amboinensis (turtle) produce broad-spectrum antibacterial molecules

Noor Akbar, Naveed Ahmed Khan, K. Sagathevan, Mazhar Iqbal, Abdul Tawab and Ruqaiyyah Siddiqui

Sci Rep, 2019, 9
DOI: 10.1038/s41598-019-52738-w

Action and Ion Mobility Spectroscopy of a Shortened Retinal Derivative

Lihi Musbat, Shirrel Assis, Jonathan M. Dilger, Tarick J. El-Baba, Daniel R. Fuller, Jeppe Langeland Knudsen, Hjalte V. Kiefer, Amiram Hirshfeld, Noga Friedman, Lars H. Andersen, Mordechai Sheves, David E. Clemmer and Yoni Toker

J. Am. Soc. Mass Spectrom., 2018, 29, 2152
DOI: 10.1007/s13361-018-2033-8

Investigation of fragmentation pathways of norpimarane diterpenoids by mass spectrometry combined with computational chemistry

Xunda Wan, Ziqiang Lan, Shushu Yang, Shanzheng Yang, Yangjian Zhu, Feng Wang, Weiran Yang and Jinlong Chen

Rapid Comm Mass Spectrometry, 2022, 36
DOI: 10.1002/rcm.9269

Protonated and Sodiated Cyclophosphamide Fragmentation Pathways Evaluation by Infrared Multiple Photon Dissociation Spectroscopy

André S. Fernandes, Guilherme Obeid, Tiago J. N. Laureno and Thiago C. Correra

J. Phys. Chem. A, 2023, 127, 5152
DOI: 10.1021/acs.jpca.3c01323

Flavonoid Aglycones in Species of Solanum

Tania Maria Sarmento Silva, Celso Amorim Camara and Maria de Fátima Agra

Rev. Bras. Farmacogn., 2022, 32, 201
DOI: 10.1007/s43450-022-00244-y

Systematic analysis of chemical profiles of Sophorae tonkinensis Radix et Rhizoma in vitro and in vivo using UPLC‐Q‐TOF‐MSE

Wen‐lin Yuan, Zheng‐rui Huang, Si‐jia Xiao, Yu‐hao Zhang, Wei Chen, Ji Ye, Xi‐ke Xu, Xian‐peng Zu and Yun‐heng Shen

Biomedical Chromatography, 2022, 36
DOI: 10.1002/bmc.5357

Commiphora leptophloeos leaf and bark extracts modulate OxInflammation through TLR4/ NF-κB/ Nrf2 pathways

Fernanda Barbosa Lopes, Manoela Maciel dos Santos Dias, Silvânia Mól Pelinsari, Rosinéa Aparecida de Paula, Silvana Maria Zucolotto Langassner, Renato Dantas-Medeiros, Ana Caroline Zanatta, Leandro Licursi de Oliveira and Reggiani Vilela Gonçalves

Journal of Ethnopharmacology, 2025, 353, 120347
DOI: 10.1016/j.jep.2025.120347

Quantum Chemistry Calculations for Metabolomics

Ricardo M. Borges, Sean M. Colby, Susanta Das, Arthur S. Edison, Oliver Fiehn, Tobias Kind, Jesi Lee, Amy T. Merrill, Kenneth M. Merz, Thomas O. Metz, Jamie R. Nunez, Dean J. Tantillo, Lee-Ping Wang, Shunyang Wang and Ryan S. Renslow

Chem. Rev., 2021, 121, 5633
DOI: 10.1021/acs.chemrev.0c00901

Comprehensive and Explainable Fragmentation: A Machine Learning Approach for Fast and Accurate Mass Spectrum Prediction

Xian-Yang Zhang and Xue-Qing Gong

J. Phys. Chem. A, 2025, 129, 3552
DOI: 10.1021/acs.jpca.4c08663

Phenolic content of Terminalia catappa L. leaf and toxicity evaluation on red hybrid tilapia (Oreochromis sp.)

Yahaya Yakubu, Muhammad T. Ahmad, Chou M. Chong, Intan S. Ismail and Khozirah Shaari

Journal of Fish Biology, 2023, 102, 358
DOI: 10.1111/jfb.15266

Identification of Secondary Metabolites from the Mangrove-Endophyte Lasiodiplodia iranensis F0619 by UPLC-ESI-MS/MS

Lizbeth M. Delgado Gómez, Daniel Torres-Mendoza, Kathleen Hernández-Torres, Humberto E. Ortega and Luis Cubilla-Rios

Metabolites, 2023, 13, 912
DOI: 10.3390/metabo13080912

Formation of Carbon Dioxide Attached Fragment Ions in the Fragmentation of Deprotonated Tolfenpyrad and Tebufenpyrad

Yunfeng Chai, Hongping Chen, Xin Liu and Chengyin Lu

J. Am. Soc. Mass Spectrom., 2019, 30, 2060
DOI: 10.1007/s13361-019-02273-9

Collision induced dissociation of N -(pyridin-2-yl)-substituted benzo(thio)amides and N -(isoquinolin-1-yl)furan(thiophene)-2-carboxamides and their difluoroboranyl derivatives

Małgorzata A. Kaczorowska and Borys Ośmiałowski

International Journal of Mass Spectrometry, 2018, 428, 35
DOI: 10.1016/j.ijms.2018.02.006

Evaluation of Violacein Metabolic Stability and Metabolite Identification in Human, Mouse, and Rat Liver Microsomes

Debora Bressanim de Aquino Calemi, Alexandre Barcia Godoi, Giulia Minuti, Fausto Carnevale Neto, Gabriel Felipe Hispagnol, Alan Cesar Pilon, Jose Luiz Costa, Stephen Hyslop and Natalicia de Jesus Antunes

Pharmaceutics, 2025, 17, 601
DOI: 10.3390/pharmaceutics17050601

A targeted prenylation analysis by a combination of IT-MS and HR-MS: Identification of prenyl number, configuration, and position in different subclasses of (iso)flavonoids

Sarah van Dinteren, Carla Araya-Cloutier, Wouter J.C. de Bruijn and Jean-Paul Vincken

Analytica Chimica Acta, 2021, 1180, 338874
DOI: 10.1016/j.aca.2021.338874

Simultaneous extraction with two phases (modified supercritical CO2 and CO2-expanded liquid) to enhance sustainable extraction/isolation of pinocembrin from Lippia origanoides (Verbenaceae)

Julián Arias, Félix Muñoz, Jésica Mejía, Arvind Kumar, Aída Luz Villa, Jairo René Martínez and Elena E. Stashenko

Advances in Sample Preparation, 2023, 6, 100059
DOI: 10.1016/j.sampre.2023.100059

Fragmentation pathways arising from protonation at different sites in aminoalkyl‐substituted 3‐hydroxy‐1,2,5‐oxadiazoles (3‐hydroxyfurazans)

J. Stuart Grossert, Donatella Boschi, Marco L. Lolli and Robert L. White

Rapid Comm Mass Spectrometry, 2018, 32, 1403
DOI: 10.1002/rcm.8166

LC-UV-HRMS dereplication of secondary metabolites from Brazilian Vernonieae (Asteraceae) species supported through in-house database

Marília Elias Gallon, Olakunle Adeboye Jaiyesimi and Leonardo Gobbo-Neto

Biochemical Systematics and Ecology, 2018, 78, 5
DOI: 10.1016/j.bse.2018.03.002

Elucidating the mass spectrum of the retronecine alkaloid using DFT calculations

Lucas Modesto‐Costa, Sabrina T. Martinez, Angelo C. Pinto, Ricardo Vessecchi and Itamar Borges

J Mass Spectrom, 2018, 53, 934
DOI: 10.1002/jms.4253

Comprehensive polyoxypregnane glycosides report in Caralluma quadrangula using UPLC–ESI–Q–TOF and their antioxidant effects in human plasma

Arafa I. Hamed, Ridha Ben Said, Mohamed Ali Ben Aissa, Ibrahim Bayoumi Abdel-Farid, Bogdan Kontek, Mariusz Kowalczyk, Wieslaw Oleszek, Anna Stochmal, Ivona kowalska and Beata Olas

Biomedicine & Pharmacotherapy, 2022, 150, 112954
DOI: 10.1016/j.biopha.2022.112954

Identification of flavonoids in Hymenaea martiana Hayne (Fabaceae) by HPLC-DAD-MSn analysis

Alessandra Gomes Marques Pacheco, Alexsandro Branco, Celso Amorim Câmara, Tânia Maria Sarmento Silva, Telma Maria Guedes Silva, Ana Paula de Oliveira, Alan Diego da Conceição Santos, Lívia Macedo Dutra, Larissa Araújo Rolim, Gibson Gomes de Oliveira, Jacqueline Nakau Mendonça, Norberto Peporine Lopes and Jackson Roberto Guedes da Silva Almeida

Natural Product Research, 2021, 35, 2414
DOI: 10.1080/14786419.2019.1672062

Mass Spectral Library of Acylcarnitines Derived from Human Urine

Xinjian Yan, Sanford P. Markey, Ramesh Marupaka, Qian Dong, Brian T. Cooper, Yuri A. Mirokhin, William E. Wallace and Stephen E. Stein

Anal. Chem., 2020, 92, 6521
DOI: 10.1021/acs.analchem.0c00129

Profiling of Hura crepitans L. latex by ultra‐high‐performance liquid chromatography/atmospheric pressure chemical ionisation linear ion trap Orbitrap mass spectrometry

Manon Trinel, Valérie Jullian, Anne‐Cécile Le Lamer, Icram Mhamdi, Kember Mejia, Denis Castillo, Billy Joel Cabanillas and Nicolas Fabre

Phytochemical Analysis, 2018, 29, 627
DOI: 10.1002/pca.2776

Dehydration of gas-phase benzyl amine alcohols studied at atmospheric pressure

Dmytro S. Kulyk, Qiongqiong Wan, Taghi Sahraeian and Abraham K. Badu-Tawiah

International Journal of Mass Spectrometry, 2022, 476, 116836
DOI: 10.1016/j.ijms.2022.116836

Cannabis roots: Pharmacological and toxicological studies in mice

Kátia Simoni Bezerra Lima, Maria Eduarda Gomes da Cruz Silva, Tarcísio Cícero de Lima Araújo, Clodoaldo Plácido da Fonseca Silva, Balbino Lino Santos, Luciano Augusto de Araújo Ribeiro, Pedro Modesto Nascimento Menezes, Mariana Gama Silva, Érica Martins Lavor, Fabrício Souza Silva, Xirley Pereira Nunes and Larissa Araújo Rolim

Journal of Ethnopharmacology, 2021, 271, 113868
DOI: 10.1016/j.jep.2021.113868

Chemical metabolome assay by high‐resolution Orbitrap mass spectrometry and assessment of associated antitumoral activity of Actinocephalus divaricatus

Ana C. Zanatta, Angela Mari, Milena Masullo, Iracilda Zeppone Carlos, Wagner Vilegas, Sonia Piacente and Lourdes Campaner dos Santos

Rapid Comm Mass Spectrometry, 2018, 32, 241
DOI: 10.1002/rcm.8034

Characterization of hallucinogenic phenethylamines using high‐resolution mass spectrometry for non‐targeted screening purposes

Daniel Pasin, Adam Cawley, Sergei Bidny and Shanlin Fu

Drug Testing and Analysis, 2017, 9, 1620
DOI: 10.1002/dta.2171

Electrospray ionization tandem mass spectrometry of monoketone curcuminoids

Tatiana M. Vieira, Renato P. Orenha, Eduardo J. Crevelin, Saulo S.P. Furtado, Ricardo Vessecchi, Renato L.T. Parreira and Antônio E.M. Crotti

Rapid Comm Mass Spectrometry, 2020, 34
DOI: 10.1002/rcm.8699

New antifungal ent-labdane diterpenes against Candida glabrata produced by microbial transformation of ent-polyalthic acid

Ingrid Pontes de Sousa, Antônio Gilberto Ferreira, Antônio Eduardo Miller Crotti, Raquel Alves dos Santos, Josef Kiermaier, Birgit Kraus, Jörg Heilmann and Niege Araçari Jacometti Cardoso Furtado

Bioorganic Chemistry, 2020, 95, 103560
DOI: 10.1016/j.bioorg.2019.103560

The transformation from 2°‐amine to 3°‐amine of cyclam ring alters the fragmentation patterns of 1‐tosylcytosine‐cyclam conjugates

Renata Kobetić, Valentina Ključarić, Dijana Saftić, Josipa Matić, Željka Ban, Snježana Kazazić and Biserka Žinić

J Mass Spectrom, 2018, 53, 655
DOI: 10.1002/jms.4197

Novel synthesized seleno-glycoconjugates as cosmeceutical ingredients: Antioxidant activity and in vitro skin permeation

Giovanna Cimmino, Mauro De Nisco, Cristina Alonso, Claudia Gravina, Vincenzo Piscopo, Reinier Lemos, Luisa Coderch, Simona Piccolella, Severina Pacifico and Silvana Pedatella

European Journal of Medicinal Chemistry Reports, 2024, 12, 100240
DOI: 10.1016/j.ejmcr.2024.100240