Functional mass spectrometry indicates anti-protease and complement activity increase with COVID-19 severity by Douglas D. Fraser, Douglas D. Fraser, Swapan Roy, Matt Kuruc, Maritza Quintero, Logan R. Van Nynatten, Gediminas Cepinskas, Gediminas Cepinskas, Haiyan Zheng, Amenah Soherwardy, Devjit Roy

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Molecular Signatures of Humic Acids from Different Sources as Revealed by Ultrahigh Resolution Mass Spectrometry by Shuai Qin, Chengbin Xu, Yingzi Xu, Yingchen Bai, Fei Guo

“…Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) has performed molecular-level analysis of two standard HAs from the Suwannee River (SRHA) and leonardite (LEHA) and HA from Jiufeng forest in Beijing (JFHA), which is impossible for other conventional instruments. …”
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Proximate values and elemental analysis in wheat and soybean using inductively coupled plasma mass spectrometry by G. Kowmudi, V. Rashmi, K. Anoop, N. Krishnaveni, S. Naveen

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Differentiation between 3,4- and 4,15-Epoxyeudesmanolides by Electrospray Ionization Tandem Mass Spectrometry by Herbert Júnior Dias, Ricardo Stefani, José Carlos Tomaz, Ricardo Vessecchi, Antônio Eduardo Miller Crotti

“…These data can be useful for the fast differentiation between epoxyeudesmanolide regioisomers directly from Dimerostemma extracts by liquid chromatography-tandem mass spectrometry (LC-MS/MS), as an alternative to NMR, or even for quantitation studies of these compounds using multiple reaction monitoring (MRM) scan.…”
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Multistage Fragmentation of Ion Trap Mass Spectrometry System and Pseudo-MS3 of Triple Quadrupole Mass Spectrometry Characterize Certain (E)-3-(Dimethylamino)-1-arylprop-2-en-1-ones: A Comparative Study by Ali S. Abdelhameed, Adnan A. Kadi, Hatem A. Abdel-Aziz, Rihab F. Angawi, Mohamed W. Attwa, Khalid A. Al-Rashood

“…A new approach was recently introduced to improve the structure elucidation power of tandem mass spectrometry simulating the MS3 of ion trap mass spectrometry system overcoming the different drawbacks of the latter. …”
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Liquid chromatography-tandem mass spectrometry for the quantification of ripretinib and its metabolites DP-5439 in human plasma by Jiahui Lin, Jiahui Lin, Aiting Jiang, Juntao Zheng, Jingjing Wu, Hao Li, Hao Li, Shirong Cai, Yulong He, Xiao Chen, Guoping Zhong, Ke-Jing Tang, Ke-Jing Tang, Xinhua Zhang, Yanzhe Xia

“…In this study, a simple and stable liquid chromatography-tandem mass spectrometry (LC-MS/MS) method was attempted to be established and validated for pharmacokinetic studies of ripretinib and its metabolite DP-5439 and therapeutic drug monitoring in human plasma.MethodRipretinib and DP-5439 were separated by chromatography using a Thermofisher Hypersil GOLDTM C18 HPLC column. …”
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Tandem Mass Spectrometry Detection of Quorum Sensing Activity in Multidrug Resistant Clinical Isolate Acinetobacter baumannii by Kok-Gan Chan, Huey Jia Cheng, Jian Woon Chen, Wai-Fong Yin, Yun Fong Ngeow

“…With the use of biosensor and high resolution liquid chromatography tandem mass spectrometry, the AHL production of clinical isolate A. baumannii 4KT was studied. …”
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Hydrophilic Interaction Liquid Chromatography-Tandem Mass Spectrometry Analysis of Fosetyl-Aluminum in Airborne Particulate Matter by Francesca Buiarelli, Patrizia Di Filippo, Carmela Riccardi, Donatella Pomata, Riccardo Marsiglia, Carla Console, Daniele Puri

“…Herein, we present a selective liquid chromatography-tandem mass spectrometry (LC-MS/MS) method to analyze residues of fosetyl-A1 in air particulate matter. …”
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Toward an Efficient Differentiation of Two <i>Diaporthe</i> Strains Through Mass Spectrometry for Fungal Biotyping by Kathleen Hernández-Torres, Daniel Torres-Mendoza, Gesabel Navarro-Velasco, Luis Cubilla-Rios

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Untargeted metabolomics profiling for the geographical authentication of traditional pempek using high-resolution orbitrap mass spectrometry by Agus Supriadi, Sherly Ridhowati, Daniel Saputra, Wulandari, Shanti Dwita Lestari

“…This study utilised untargeted metabolomics with High-Resolution Orbitrap Mass Spectrometry (HRMS) to identify metabolite markers associated with the geographical origin of Pempek. …”
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iDIA-QC: AI-empowered data-independent acquisition mass spectrometry-based quality control by Huanhuan Gao, Yi Zhu, Dongxue Wang, Zongxiang Nie, He Wang, Guibin Wang, Shuang Liang, Yuting Xie, Yingying Sun, Wenhao Jiang, Zhen Dong, Liqin Qian, Xufei Wang, Mengdi Liang, Min Chen, Houqi Fang, Qiufang Zeng, Jiao Tian, Zeyu Sun, Juan Xue, Shan Li, Chen Chen, Xiang Liu, Xiaolei Lyu, Zhenchang Guo, Yingzi Qi, Ruoyu Wu, Xiaoxian Du, Tingde Tong, Fengchun Kong, Liming Han, Minghui Wang, Yang Zhao, Xinhua Dai, Fuchu He, Tiannan Guo

“…Abstract Quality control (QC) in mass spectrometry (MS)-based proteomics is mainly based on data-dependent acquisition (DDA) analysis of standard samples. …”
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MLinvitroTox reloaded for high-throughput hazard-based prioritization of high-resolution mass spectrometry data by Katarzyna Arturi, Eliza J. Harris, Lilian Gasser, Beate I. Escher, Georg Braun, Robin Bosshard, Juliane Hollender

“…Abstract MLinvitroTox is an automated Python pipeline developed for high-throughput hazard-driven prioritization of toxicologically relevant signals detected in complex environmental samples through high-resolution tandem mass spectrometry (HRMS/MS). MLinvitroTox is a machine learning (ML) framework comprising 490 independent XGBoost classifiers trained on molecular fingerprints from chemical structures and target-specific endpoints from the ToxCast/Tox21 invitroDBv4.1 database. …”
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Liquid Chromatography-Tandem Mass Spectrometry Analysis of Perfluorooctane Sulfonate and Perfluorooctanoic Acid in Fish Fillet Samples by Viviana Paiano, Elena Fattore, Andrea Carrà, Caterina Generoso, Roberto Fanelli, Renzo Bagnati

“…The method uses a simple liquid extraction by sonication, followed by a direct determination using liquid chromatography-tandem mass spectrometry (LC-MS/MS). The linearity of the instrumental response was good, with average regression coefficients of 0.9971 and 0.9979 for PFOS and PFOA, respectively, and the coefficients of variation (CV) of the method ranged from 8% to 20%. …”
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msiFlow: automated workflows for reproducible and scalable multimodal mass spectrometry imaging and microscopy data analysis by Philippa Spangenberg, Sebastian Bessler, Lars Widera, Jenny Bottek, Mathis Richter, Stephanie Thiebes, Devon Siemes, Sascha D. Krauß, Lukasz G. Migas, Siva Swapna Kasarla, Prasad Phapale, Jens Kleesiek, Dagmar Führer, Lars C. Moeller, Heike Heuer, Raf Van de Plas, Matthias Gunzer, Oliver Soehnlein, Jens Soltwisch, Olga Shevchuk, Klaus Dreisewerd, Daniel R. Engel

“…Abstract Multimodal imaging by matrix-assisted laser desorption ionisation mass spectrometry imaging (MALDI MSI) and microscopy holds potential for understanding pathological mechanisms by mapping molecular signatures from the tissue microenvironment to specific cell populations. …”
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Detection and Characterization of the Metabolites of Ciwujianoside B in Rats Based on UPLC-Fusion Lumos Orbitrap Mass Spectrometry by Wan-Ru Dong, Xue Gao, Chen-Xue Li, Yan Song, Jun-Hong Chai, Jun Liang

“…Specifically, we collected feces, urine, and plasma of rats after gavage with ciwujianoside B and identified 42 metabolites by UPLC-Fusion Lumos Orbitrap mass spectrometry. Finally, ciwujianoside B metabolism and hederasaponin B metabolism were compared, reaching the following conclusions: (i) more than 40 metabolites were identified in both, with the majority of metabolites identified in feces; (ii) the corresponding metabolic pathways in vivo were basically similar, including deglycosylation, acetylation, hydroxylation, glucuronidation, oxidation, and glycosylation; and (iii) deglycosylation was considered the main metabolic reaction, and its metabolites accounted for approximately 50% of all metabolites. …”
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Detection and Structural Characterization of Nucleophiles Trapped Reactive Metabolites of Limonin Using Liquid Chromatography-Mass Spectrometry by Yujie Deng, Yudong Fu, Shumin Xu, Ping Wang, Nailong Yang, Chengqian Li, Qing Yu

“…Two different types of mass spectrometry, a hybrid quadrupole time-of-flight (Q-TOF) mass spectrometry and a LTQ velos Pro ion trap mass spectrometry, were employed to acquire structural information of nucleophile adducts of LIM. …”
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Determination of Methomyl Residues in Bohe by Ultrahigh-Performance Liquid Chromatography-Tandem Mass Spectrometry (UPLC-MS) by Yao Zheng, Addotey Tracy Naa Adoley, Benkhelifa Fateh, Wei Wu, Gengdong Hu, Liping Qiu, Jiazhang Chen

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Using Protein Painting Mass Spectrometry to Define Ligand Receptor Interaction Sites for Acetylcholine Binding Protein by Alexandru Graur, Natalie Erickson, Nadine Kabbani

“…Using the Aplysia californica acetylcholine binding protein (Ac-AChBP) as an established structural surrogate for human homopentameric α7 nAChRs, we describe an innovative protein painting mass spectrometry (MS) method that can be used to identify interaction sites for various ligands at the extracellular nAChR site. …”
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Determination of Levetiracetam in Human Plasma by Dispersive Liquid-Liquid Microextraction Followed by Gas Chromatography-Mass Spectrometry by Greyce Kelly Steinhorst Alcantara, Leandro Augusto Calixto, Luiz Alberto Beraldo de Moraes, Regina Helena Costa Queiroz, Anderson Rodrigo Moraes de Oliveira, Cristiane Masetto de Gaitani

“…So this work presents a dispersive liquid-liquid microextraction method followed by gas chromatography-mass spectrometry (DLLME-GC-MS) for LEV quantification in human plasma. …”
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Fast Differential Analysis of Propolis Using Surface Desorption Atmospheric Pressure Chemical Ionization Mass Spectrometry by Xue-yong Huang, Xia-li Guo, Huo-lin Luo, Xiao-wei Fang, Teng-gao Zhu, Xing-lei Zhang, Huan-wen Chen, Li-ping Luo

“…Mass spectral fingerprints of 24 raw propolis samples, including 23 from China and one from the United States, were directly obtained using surface desorption atmospheric pressure chemical ionization mass spectrometry (SDAPCI-MS) without sample pretreatment. …”
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