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Journal articles on the topic 'High resolution accurate mass (HRAM) mass spectrometry (MS)'

Author: Grafiati

Published: 22 June 2024

Last updated: 31 July 2025

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1

Hines, Jolaine M., Irina Bancos, Cristian Bancos, et al. "High-Resolution, Accurate-Mass (HRAM) Mass Spectrometry Urine Steroid Profiling in the Diagnosis of Adrenal Disorders." Clinical Chemistry 63, no. 12 (2017): 1824–35. http://dx.doi.org/10.1373/clinchem.2017.271106.

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Abstract BACKGROUND Steroid profiling is a promising diagnostic tool with adrenal tumors, Cushing syndrome (CS), and disorders of steroidogenesis. Our objective was to develop a multiple-steroid assay using liquid-chromatography, high-resolution, accurate-mass mass spectrometry (HRAM LC-MS) and to validate the assay in patients with various adrenal disorders. METHODS We collected 24-h urine samples from 114 controls and 71 patients with adrenal diseases. An HRAM LC-MS method was validated for quantitative analysis of 26 steroid metabolites in hydrolyzed urine samples. Differences in steroid ex

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Wiesinger, Thomas, Thomas Mechtler, Markus Schwarz та ін. "Investigating the suitability of high-resolution mass spectrometry for newborn screening: identification of hemoglobinopathies and β-thalassemias in dried blood spots". Clinical Chemistry and Laboratory Medicine (CCLM) 58, № 5 (2020): 810–16. http://dx.doi.org/10.1515/cclm-2019-0832.

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AbstractA fast and reliable method for the determination of hemoglobinopathies and thalassemias by high-resolution accurate mass spectrometry (HRAM/MS) is presented. The established method was verified in a prospective clinical study (HRAM/MS vs. high-pressure liquid chromatography [HPLC]) of 5335 de-identified newborn samples from the Hamburg area. The analytical method is based on a dual strategy using intact protein ratios for thalassemias and tryptic digest fragments for the diagnosis of hemoglobinopathies. Due to the minimal sample preparation and the use of flow injection, the assay can

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Lanzon, Borja, Marina Martin-Taboada, Victor Castro-Alves, et al. "Lipidomic and Metabolomic Signature of Progression of Chronic Kidney Disease in Patients with Severe Obesity." Metabolites 11, no. 12 (2021): 836. http://dx.doi.org/10.3390/metabo11120836.

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Severe obesity is a major risk for chronic kidney disease (CKD). Early detection and careful monitoring of renal function are critical for the prevention of CKD during obesity, since biopsies are not performed in patients with CKD and diagnosis is dependent on the assessment of clinical parameters. To explore whether distinct lipid and metabolic signatures in obesity may signify early stages of pathogenesis toward CKD, liquid chromatography-mass spectrometry (LC-MS) and gas chromatography-high resolution accurate mass-mass spectrometry (GC-HRAM-MS) analyses were performed in the serum and the

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Ramanathan, Lakshmi, and Helen Shen. "LC–TOF–MS methods to quantify siRNAs and major metabolite in plasma, urine and tissues." Bioanalysis 11, no. 21 (2019): 1983–92. http://dx.doi.org/10.4155/bio-2019-0134.

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There are a few different bioanalytical approaches that have been used for the quantification of siRNA in biological matrices, such as S1 nuclease protection ‘cutting ELISA’, fluorescent probe hybridization HPLC, HPLC UV, LC–MS/high-resolution accurate-mass (HRAM) and LC–MS/MS. We have developed and validated plasma assays for several oligonucleotides such as GalNAc-conjugated siRNA, using uHPLC and high-resolution mass spectrometer by TOF detection. Although the molecular weights are in the range of 7000–9000, we were able to meet the same assay acceptance criteria as for the small molecules

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Yao, Jiaxu, Jinrui Zhu, Minjie Zhao, Li Zhou, and Eric Marchioni. "Untargeted Lipidomics Method for the Discrimination of Five Crab Species by Ultra-High-Performance Liquid Chromatography High-Resolution Mass Spectrometry Combined with Chemometrics." Molecules 28, no. 9 (2023): 3653. http://dx.doi.org/10.3390/molecules28093653.

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In this study, ultra-high-performance liquid chromatography high-resolution accurate mass-mass spectrometry (UHPLC-HRAM/MS) was applied to characterize the lipid profiles of five crab species. A total of 203 lipid molecular species in muscle tissue and 176 in edible viscera were quantified. The results indicate that Cancer pagurus contained high levels of lipids with a docosahexaenoic acid (DHA) and eicosapntemacnioc acid (EPA) structure in the muscle tissue and edible viscera. A partial least squares discriminant analysis (PLS-DA) showed that PE 16:0/22:6, PE P-18:0/20:5, PA 16:0/22:6 and PC

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Vanhee, Celine, Cloë Degrève, Niels Boschmans, et al. "Validated UHPLC Methods for Melatonin Quantification Reveal Regulatory Violations in EU Online Dietary Supplements Commerce." Molecules 30, no. 12 (2025): 2647. https://doi.org/10.3390/molecules30122647.

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The global sleep aids market has grown significantly due to rising stress and increased awareness of sleep’s importance. Melatonin, available in the EU as a prescription or over-the-counter medicine, depending on the country, is also permitted in dietary supplements with country-specific limits. Recent reports indicate concerning levels of excessive melatonin in EU dietary supplements, necessitating accurate quantification methods. We developed and validated, by applying accuracy profiles, ISO17025-compliant, rapid ultra-high performance liquid chromatography (UHPLC) methodologies coupled with

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Byrdwell, William C., and Hari Kiran Kotapati. "Multi-Dimensional Liquid Chromatography of Pulse Triacylglycerols with Triple Parallel Mass Spectrometry." Separations 10, no. 12 (2023): 594. http://dx.doi.org/10.3390/separations10120594.

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We analyzed ten pulses (the dried seeds of legumes), i.e., baby lima beans, black beans, black-eyed peas, butter beans, cranberry beans, garbanzo beans, green split peas, lentils, navy beans, and pinto beans, using three-dimensional liquid chromatography (3D-LC) with parallel second dimensions, LC × (LC + LC). We combined non-aqueous reversed-phase (NARP) chromatography as the first dimension separation, 1D, with argentation UHPLC for separation based on degree and location of unsaturation in the first second dimension, 2D(1), and multi-cycle NARP-UHPLC in the second second dimension, 2D(2). P

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Kiyonami, Reiko, Rafael Melani, Ying Chen, AI De Leon, and Min Du. "Applying UHPLC-HRAM MS/MS Method to Assess Host Cell Protein Clearance during the Purification Process Development of Therapeutic mAbs." International Journal of Molecular Sciences 25, no. 17 (2024): 9687. http://dx.doi.org/10.3390/ijms25179687.

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Host cell proteins (HCPs) are one of the process-related impurities that need to be well characterized and controlled throughout biomanufacturing processes to assure the quality, safety, and efficacy of monoclonal antibodies (mAbs) and other protein-based biopharmaceuticals. Although ELISA remains the gold standard method for quantification of total HCPs, it lacks the specificity and coverage to identify and quantify individual HCPs. As a complementary method to ELISA, the LC-MS/MS method has emerged as a powerful tool to identify and profile individual HCPs during the downstream purification

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Moore, Eli K., Ellen C. Hopmans, W. Irene C. Rijpstra, et al. "Novel Mono-, Di-, and Trimethylornithine Membrane Lipids in Northern Wetland Planctomycetes." Applied and Environmental Microbiology 79, no. 22 (2013): 6874–84. http://dx.doi.org/10.1128/aem.02169-13.

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ABSTRACTNorthern peatlands represent a significant global carbon store and commonly originate fromSphagnummoss-dominated wetlands. These ombrotrophic ecosystems are rain fed, resulting in nutrient-poor, acidic conditions. Members of the bacterial phylumPlanctomycetesare highly abundant and appear to play an important role in the decomposition ofSphagnum-derived litter in these ecosystems. High-performance liquid chromatography coupled to high-resolution accurate-mass mass spectrometry (HPLC-HRAM/MS) analysis of lipid extracts of four isolated planctomycetes from wetlands of European north Russ

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Sternberg, Johanna, Insa Peters, Nana Naumann, Andreas Thomas, and Mario Thevis. "In Vitro Metabolism of Doping Agents (Stanozolol, LGD-4033, Anastrozole, GW1516, Trimetazidine) by Human Seminal Vesicle and Liver Fractions." Metabolites 15, no. 7 (2025): 452. https://doi.org/10.3390/metabo15070452.

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Background: In order to address complex scenarios in anti-doping science, especially in cases where an unintentional exposure of athletes to prohibited substances and a corresponding contamination of doping control samples at the collection event are argued, an understanding of tissue-specific drug metabolism is essential. Hence, in this study, the metabolic capacity of the seminal vesicle using in vitro assays was investigated. Methods: The aim was to assess whether selected doping-relevant substances—stanozolol, LGD-4033, GW1516, trimetazidine, and anastrozole—are metabolised in seminal vesi

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Abu-Reidah, Ibrahim M., Amber L. Critch, Charles F. Manful, et al. "Effects of pH and Temperature on Water under Pressurized Conditions in the Extraction of Nutraceuticals from Chaga (Inonotus obliquus) Mushroom." Antioxidants 10, no. 8 (2021): 1322. http://dx.doi.org/10.3390/antiox10081322.

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Currently, there is increased interest in finding appropriate food-grade green extraction systems capable of extracting these bioactive compounds from dietary mushrooms for applications in various food, pharmacological, or nutraceutical formulations. Herein, we evaluated a modified Swiss water process (SWP) method using alkaline and acidic pH at low and high temperature under pressurized conditions as a suitable green food grade solvent to obtained extracts enriched with myco-nutrients (dietary phenolics, total antioxidants (TAA), vitamins, and minerals) from Chaga. Ultra-high performance liqu

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Smith, Richard D. "Advanced Mass Spectrometric Methods for the Rapid and Quantitative Characterization of Proteomes." Comparative and Functional Genomics 3, no. 2 (2002): 143–50. http://dx.doi.org/10.1002/cfg.159.

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Progress is reviewed towards the development of a global strategy that aims to extend the sensitivity, dynamic range, comprehensiveness and throughput of proteomic measurements based upon the use of high performance separations and mass spectrometry. The approach uses high accuracy mass measurements from Fourier transform ion cyclotron resonance mass spectrometry (FTICR) to validate peptide ‘accurate mass tags’ (AMTs) produced by global protein enzymatic digestions for a specific organism, tissue or cell type from ‘potential mass tags’ tentatively identified using conventional tandem mass spec

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Cawley, Adam, Daniel Pasin, Namuun Ganbat, et al. "The potential for complementary targeted/non-targeted screening of novel psychoactive substances in equine urine using liquid chromatography-high resolution accurate mass spectrometry." Analytical Methods 8, no. 8 (2016): 1789–97. http://dx.doi.org/10.1039/c6ay00156d.

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14

Patterson, Courtney. "Quantitation of an oral fluid drug panel including THC using High Resolution Accurate-Mass (HRAM) orbitrap mass spectrometry." Toxicologie Analytique et Clinique 37, no. 1 (2025): S58—S59. https://doi.org/10.1016/j.toxac.2025.01.091.

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Cradic, Kendall W., Paula M. Ladwig, Ann L. Rivard, Waddah Katrangi, Karl Florian Wintgens, and Maria A. V. Willrich. "Vedolizumab quantitation using high-resolution accurate mass-mass spectrometry middle-up protein subunit: method validation." Clinical Chemistry and Laboratory Medicine (CCLM) 58, no. 6 (2020): 864–72. http://dx.doi.org/10.1515/cclm-2019-0862.

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AbstractBackgroundWhile quantitation methods for small-molecule and tryptic peptide bottom-up mass spectrometry (MS) have been well defined, quantitation methods for top-down or middle-up MS approaches have not been as well defined. Therapeutic monoclonal antibodies (t-mAbs) are a group of proteins that can be used to both demonstrate the advantages of top-down or middle-up detection methods over classic tryptic peptide bottom-up along with the growing need for robust quantitation strategies/software for these top-down or middle-up methods. Bottom-up proteolytic digest methods for the t-mAbs t

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Lim, Ameline, Cheka Kehelpannala, Fatemeh Vafaee, et al. "Abstract PO4-07-02: Development of an Artificial Intelligence-based breast cancer detection model using Plasma Lipidomic Signature." Cancer Research 84, no. 9_Supplement (2024): PO4–07–02—PO4–07–02. http://dx.doi.org/10.1158/1538-7445.sabcs23-po4-07-02.

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Abstract Background: Mammography is the current diagnostic standard for breast cancer screening and monitoring. However, accessibility challenges, accuracy issues and patient discomfort all contribute to reduced patient compliance and utilization, resulting in a need for more effective diagnostic tools. An artificial intelligence (AI)-based lipidomic blood test may add significant value to early breast cancer detection rate and improve outcomes for patients. We have previously reported a series of lipidomic studies (n=793) and derived a lipid signature from plasma-enriched extracellular vesicl

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17

Nehmeh, Bilal, Fatima Haydous, and Elias Akoury. "Mass calibrants for positive chemical ionization-high resolution mass spectrometry (CI-HRMS) for the identification of unknown compounds using accurate mass measurements." RSC Advances 13, no. 20 (2023): 14001–9. http://dx.doi.org/10.1039/d3ra01977b.

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Nuñez, Alberto, Yelena Sapozhnikova, and Steven Lehotay. "Characterization of MS/MS Product Ions for the Differentiation of Structurally Isomeric Pesticides by High-Resolution Mass Spectrometry." Toxics 6, no. 4 (2018): 59. http://dx.doi.org/10.3390/toxics6040059.

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Structural isomeric pesticides are used in agriculture and may be challenging to differentiate for accurate identification in pesticide monitoring programs. Due to structural similarity, isomeric pesticides are difficult to separate chromatographically, and thus, their accurate identification may rely solely on mass spectrometric analysis (MS). In this study, we challenged the ability of high-resolution quadrupole-orbitrap (Q-Orbitrap) mass spectrometry to produce and evaluate the tandem mass spectrometry (MS/MS) product ions for the selected five pairs of isomeric pesticides from different cl

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Tsakalof, Andreas, Alexey A. Sysoev, Kira V. Vyatkina, et al. "Current Role and Potential of Triple Quadrupole Mass Spectrometry in Biomedical Research and Clinical Applications." Molecules 29, no. 23 (2024): 5808. https://doi.org/10.3390/molecules29235808.

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Mass-spectrometry-based assays nowadays play an essential role in biomedical research and clinical applications. There are different types of commercial mass spectrometers on the market today, and triple quadrupole (QqQ) is one of the time-honored systems. Here, we overview the main areas of QqQ applications in biomedicine and assess the current level, evolution, and trends in the use of QqQ in these areas. Relevant data were extracted from the Scopus database using the specified terms and Boolean operators defined for each field of the QqQ application. We also discuss the recent advances in Q

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Vanhee, Celine, Sophia Barhdadi, Angélique Kamugisha, et al. "The Development and Validation of a Targeted LC-HRAM-MS/MS Methodology to Separate and Quantify p-Synephrine and m-Synephrine in Dietary Supplements and Herbal Preparations." Separations 10, no. 8 (2023): 444. http://dx.doi.org/10.3390/separations10080444.

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Dietary supplements containing Citrus aurantium or p-synephrine remain very popular in Europe and the United States of America (USA). They are primarily sold as weight loss enhancers, although their efficacy and the safety are still under scrutiny. To this end, several countries have set maximum threshold levels of p-synephrine that are permitted in dietary supplements. Moreover, there have also been reports of possible chemical adulteration of these supplements with the synthetic positional isomer, m-synephrine, known to be used as a medicinal product. Therefore, it is pivotal for regulatory

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Meher, Anil Kumar, and Akli Zarouri. "Environmental Applications of Mass Spectrometry for Emerging Contaminants." Molecules 30, no. 2 (2025): 364. https://doi.org/10.3390/molecules30020364.

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Emerging contaminants (ECs), encompassing pharmaceuticals, personal care products, pesticides, and industrial chemicals, represent a growing threat to ecosystems and human health due to their persistence, bioaccumulation potential, and often-unknown toxicological profiles. Addressing these challenges necessitates advanced analytical tools capable of detecting and quantifying trace levels of ECs in complex environmental matrices. This review highlights the pivotal role of mass spectrometry (MS) in monitoring ECs, emphasizing its high sensitivity, specificity, and versatility across various tech

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Sawyer, William S., Neha Srikumar, Joseph Carver, et al. "High-throughput antibody screening from complex matrices using intact protein electrospray mass spectrometry." Proceedings of the National Academy of Sciences 117, no. 18 (2020): 9851–56. http://dx.doi.org/10.1073/pnas.1917383117.

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Toward the goal of increasing the throughput of high-resolution mass characterization of intact antibodies, we developed a RapidFire–mass spectrometry (MS) assay using electrospray ionization. We achieved unprecedented screening throughput as fast as 15 s/sample, which is an order of magnitude improvement over conventional liquid chromatography (LC)-MS approaches. The screening enabled intact mass determination as accurate as 7 ppm with baseline resolution at the glycoform level for intact antibodies. We utilized this assay to characterize and perform relative quantitation of antibody species

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Nguyen, Don D., Veronika Saharuka, Vitaly Kovalev, et al. "Facilitating Imaging Mass Spectrometry of Microbial Specialized Metabolites with METASPACE." Metabolites 11, no. 8 (2021): 477. http://dx.doi.org/10.3390/metabo11080477.

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Metabolite annotation from imaging mass spectrometry (imaging MS) data is a difficult undertaking that is extremely resource intensive. Here, we adapted METASPACE, cloud software for imaging MS metabolite annotation and data interpretation, to quickly annotate microbial specialized metabolites from high-resolution and high-mass accuracy imaging MS data. Compared with manual ion image and MS1 annotation, METASPACE is faster and, with the appropriate database, more accurate. We applied it to data from microbial colonies grown on agar containing 10 diverse bacterial species and showed that METASP

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Vanitha Madhuri T, Santhosh Kumar Sorapalli, Kishore Babu Kagitha, et al. "A Review of Liquid Chromatography-Mass Spectrometry and its Applications in Chemical Analysis." Journal of Pharma Insights and Research 2, no. 6 (2024): 025–32. https://doi.org/10.69613/gre1zt18.

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Liquid Chromatography-Mass Spectrometry (LC-MS) has emerged as a powerful analytical technique combining the separation capabilities of liquid chromatography with the high sensitivity and selectivity of mass spectrometry. This sophisticated instrumentation enables precise identification and quantification of complex chemical mixtures across diverse fields including pharmaceuticals, environmental monitoring, food safety, and biological research. Modern LC-MS systems offer enhanced resolution, improved ionization methods, and sophisticated mass analyzers that facilitate accurate molecular weight

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Ma, Xin. "Recent Advances in Mass Spectrometry-Based Structural Elucidation Techniques." Molecules 27, no. 19 (2022): 6466. http://dx.doi.org/10.3390/molecules27196466.

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Mass spectrometry (MS) has become the central technique that is extensively used for the analysis of molecular structures of unknown compounds in the gas phase. It manipulates the molecules by converting them into ions using various ionization sources. With high-resolution MS, accurate molecular weights (MW) of the intact molecular ions can be measured so that they can be assigned a molecular formula with high confidence. Furthermore, the application of tandem MS has enabled detailed structural characterization by breaking the intact molecular ions and protonated or deprotonated molecules into

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Ding, Ying, Sitan Chen, Honglin Wang, et al. "Identification of Secondary Metabolites in Flammulina velutipes by UPLC-Q-Exactive-Orbitrap MS." Journal of Food Quality 2021 (July 26, 2021): 1–8. http://dx.doi.org/10.1155/2021/4103952.

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Flammulina velutipes is the fourth largest edible fungus in China with high nutritional value. In this paper, ultrahigh-performance liquid chromatography tandem hybrid quadrupole-Orbitrap mass spectrometry (UPLC-Q-Exactive-Orbitrap MS) was used to identify the secondary metabolites of F. velutipes. The metabolites were identified by comparing the retention time, accurate molecular weight, and MS2 data with standard databases of mzVault and mzCloud (compound: 17,000+) and BGI high-resolution accurate mass plant metabolome database (plant metabolite: 2500+). Finally, 26 secondary metabolites wer

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Miyaguchi, Hajime. "Determination of sedative–hypnotics in human hair by micropulverized extraction and liquid chromatography/quadrupole-Orbitrap mass spectrometry." Anal. Methods 6, no. 15 (2014): 5777–83. http://dx.doi.org/10.1039/c4ay00505h.

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T. Farmaan, C. Hima Bindu, and T. Reshma. "LC-MS in Proteomics and Biomarker Discovery." International Journal of Science and Research Archive 14, no. 3 (2025): 900–913. https://doi.org/10.30574/ijsra.2025.14.3.0753.

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Liquid chromatography-mass spectrometry (LC-MS) has emerged as a powerful analytical tool in the field of proteomics and biomarker discovery. LC-MS combines the high separation efficiency of liquid chromatography (LC) with the sensitive and specific detection capabilities of mass spectrometry (MS), enabling the identification and quantification of complex protein mixtures in biological samples. In proteomics, LC-MS facilitates the characterization of post-translational modifications, protein-protein interactions, and differential protein expression in health and disease states. The technique's

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Liu, Yabing. "Enhancing drug analysis through advanced mass spectrometry techniques and quantitative modeling." Theoretical and Natural Science 37, no. 1 (2024): None. http://dx.doi.org/10.54254/2753-8818/37/20240180.

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The integration of advanced mass spectrometry (MS) techniques with quantitative modeling has revolutionized the field of drug analysis, offering unprecedented accuracy, sensitivity, and specificity in the detection and quantification of pharmaceutical compounds and their metabolites. High-Resolution Mass Spectrometry (HRMS) and Tandem Mass Spectrometry (MS/MS) have emerged as pivotal tools, capable of distinguishing isobaric species and providing detailed structural information, respectively. Ambient ionization techniques such as Desorption Electrospray Ionization (DESI) and Direct Analysis in

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Racine, Marianne, Ammar Saleem, and Frances R. Pick. "Metabolome Variation between Strains of Microcystis aeruginosa by Untargeted Mass Spectrometry." Toxins 11, no. 12 (2019): 723. http://dx.doi.org/10.3390/toxins11120723.

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Cyanobacteria are notorious for their potential to produce hepatotoxic microcystins (MCs), but other bioactive compounds synthesized in the cells could be as toxic, and thus present interest for characterization. Ultra performance liquid chromatography and high-resolution accurate mass spectrometry (UPLC-QTOF-MS/MS) combined with untargeted analysis was used to compare the metabolomes of five different strains of the common bloom-forming cyanobacterium, Microcystis aeruginosa. Even in microcystin-producing strains, other classes of oligopeptides including cyanopeptolins, aeruginosins, and aeru

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Tanna, Sangeeta, John Ogwu, and Graham Lawson. "Hyphenated mass spectrometry techniques for assessing medication adherence: advantages, challenges, clinical applications and future perspectives." Clinical Chemistry and Laboratory Medicine (CCLM) 58, no. 5 (2020): 643–63. http://dx.doi.org/10.1515/cclm-2019-0820.

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AbstractNonadherence to prescribed pharmacotherapy is an understated public health problem globally and is costing many patients their chance to return to good health and healthcare systems billions. Clinicians need an accurate assessment of adherence to medications to aid the clinical decision-making process in the event of poor patient progress and to maximise the patient health outcomes from the drug therapies prescribed. An overview of indirect and direct methods used to measure medication adherence is presented, highlighting the potential for accurate measuring of drugs in biological samp

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Feith, André, Attila Teleki, Michaela Graf, Lorenzo Favilli, and Ralf Takors. "HILIC-Enabled 13C Metabolomics Strategies: Comparing Quantitative Precision and Spectral Accuracy of QTOF High- and QQQ Low-Resolution Mass Spectrometry." Metabolites 9, no. 4 (2019): 63. http://dx.doi.org/10.3390/metabo9040063.

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Dynamic 13C-tracer-based flux analyses of in vivo reaction networks still require a continuous development of advanced quantification methods applying state-of-the-art mass spectrometry platforms. Utilizing alkaline HILIC chromatography, we adapt strategies for a systematic quantification study in non- and 13C-labeled multicomponent endogenous Corynebacterium glutamicum extracts by LC-QTOF high resolution (HRMS) and LC-QQQ tandem mass spectrometry (MS/MS). Without prior derivatization, a representative cross-section of 17 central carbon and anabolic key intermediates were analyzed with high se

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Croxatto, Antony, Guy Prod'hom, and Gilbert Greub. "Applications of MALDI-TOF mass spectrometry in clinical diagnostic microbiology." Fems Microbiology Reviews 36, no. 2 (2011): 380–407. https://doi.org/10.1111/j.1574-6976.2011.00298.x.

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Until recently, microbial identification in clinical diagnostic laboratories has mainly relied on conventional phenotypic and gene sequencing identification techniques. The development of matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF MS) devices has revolutionized the routine identification of microorganisms in clinical microbiology laboratories by introducing an easy, rapid, high throughput, low-cost, and efficient identification technique. This technology has been adapted to the constraint of clinical diagnostic laboratories and has the potential to

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Revelou, Panagiota-Kyriaki, Maroula G. Kokotou, and Violetta Constantinou-Kokotou. "Identification of Auxin Metabolites in Brassicaceae by Ultra-Performance Liquid Chromatography Coupled with High-Resolution Mass Spectrometry." Molecules 24, no. 14 (2019): 2615. http://dx.doi.org/10.3390/molecules24142615.

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Auxins are signaling molecules involved in multiple stages of plant growth and development. The levels of the most important auxin, indole-3-acetic acid (IAA), are regulated by the formation of amide and ester conjugates with amino acids and sugars. In this work, IAA and IAA amide conjugates with amino acids bearing a free carboxylic group or a methyl ester group, along with some selected IAA metabolites, were studied in positive and negative electrospray ionization (ESI) modes, utilizing high-resolution mass spectrometry (HRMS) as a tool for their structural analysis. HRMS/MS spectra revealed

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González-de-Peredo, Ana V., Alicia Maroto, Gerardo F. Barbero, and Antony Memboeuf. "Profiling of Organosulfur Compounds in Onions: A Comparative Study between LC-HRMS and DTD-GC-MS." Chemosensors 12, no. 7 (2024): 130. http://dx.doi.org/10.3390/chemosensors12070130.

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Onions are known not only for their culinary importance but also for their nutritional and health-promoting properties. Both properties are closely linked to their content of organosulfur compounds, which account for up to 5% of the dry weight of an onion. Given the importance of these compounds, suitable analytical methods are required for their study. Two techniques should be highlighted in this context: gas chromatography coupled to mass spectrometry (GC-MS), and liquid chromatography coupled to mass spectrometry (LC-MS). In this study, eight different onion varieties were analyzed using tw

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Saéz, Riquelme, Baer, and Vallverdú-Queralt. "Phenolic Profile of Grape Canes: Novel Compounds Identified by LC-ESI-LTQ-Orbitrap-MS." Molecules 24, no. 20 (2019): 3763. http://dx.doi.org/10.3390/molecules24203763.

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Grape canes (Vitis vinifera L.) are a viticulture industry by-product with an important content of secondary metabolites, mainly polyphenols with a broad spectrum of demonstrated health benefits. Grape canes, therefore, have considerable economic potential as a source of high-value phytochemicals. In this work, liquid chromatography coupled with electrospray ionization hybrid linear trap quadrupole-Orbitrap mass spectrometry (LC–LTQ-Orbitrap) was used for the comprehensive identification of polyphenolic compounds in grape canes. Identification of polyphenols was performed by comparing their re

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Loh, Zhi Hung, Natasha L. Hungerford, Diane Ouwerkerk, Athol V. Klieve, and Mary T. Fletcher. "Identification of Acid Hydrolysis Metabolites of the Pimelea Toxin Simplexin for Targeted UPLC-MS/MS Analysis." Toxins 15, no. 9 (2023): 551. http://dx.doi.org/10.3390/toxins15090551.

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Pimelea poisoning of cattle is a unique Australian toxic condition caused by the daphnane orthoester simplexin present in native Pimelea pasture plants. Rumen microorganisms have been proposed to metabolise simplexin by enzymatic reactions, likely at the orthoester and epoxide moieties of simplexin, but a metabolic pathway has not been confirmed. This study aimed to investigate this metabolic pathway through the analysis of putative simplexin metabolites. Purified simplexin was hydrolysed with aqueous hydrochloric acid and sulfuric acid to produce target metabolites for UPLC-MS/MS analysis of

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Hindle, Ralph, John Headley, and Douglas G. Muench. "Pros and Cons of Separation, Fractionation and Cleanup for Enhancement of the Quantitative Analysis of Bitumen-Derived Organics in Process-Affected Waters—A Review." Separations 10, no. 12 (2023): 583. http://dx.doi.org/10.3390/separations10120583.

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Oil sands process-affected water (OSPW) contains a diverse mixture of inorganic and organic compounds. Naphthenic acids (NAs) are a subset of the organic naphthenic acid fraction compounds (NAFCs) and are a major contributor of toxicity to aquatic species. Thousands of unique chemical formulae are measured in OSPW by accurate mass spectrometry and high-resolution mass spectrometry (MS) analysis of NAFCs. As no commercial reference standard is available to cover the range of compounds present in NAFCs, quantitation may best be referred to as “semi-quantitative” and is based on the responses of

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Mahale, Vishal, Ajeet Singh, Gayatri S. Phadke, et al. "Determination of Triazines and Triazoles in Grapes Using Atmospheric Pressure Matrix-Assisted Laser Desorption/Ionization High-Resolution Mass Spectrometry." Journal of AOAC INTERNATIONAL 100, no. 3 (2017): 640–46. http://dx.doi.org/10.5740/jaoacint.17-0047.

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Abstract A chromatography-free atmospheric pressure matrix-assisted laser desorption/ionization high-resolution massspectrometry (AP-MALDI HRMS) method is described for the simultaneous and quantitative detection of triazines and triazoles in grapes. The analytes were detected reproducibly with high mass accuracy (mass error within 5 ppm) and further confirmed by collision-induced dissociation fragmentation in tandem MS. The LODs and LOQs forall the analytes were found to be in the nanogram per gram level (15–20 ng/g LOQ). Internal standard–normalized high-resolution accurate mass–extracted (H

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Wang, Jian, Wendy Cheung, and Willis Chow. "Ultra-High Performance Liquid Chromatography/Electrospray Ionization-Tandem Mass Spectrometry Determination of 151 Pesticides in Soybeans and Pulses." Journal of AOAC INTERNATIONAL 96, no. 5 (2013): 1114–33. http://dx.doi.org/10.5740/jaoacint.12-465.

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Abstract This paper presents the application of ultra-high performance LC (UHPLC) and MS for the determination of 151 pesticides in soybeans and pulses. A core-shell particle (2.6 μm particle size) column and a fully porous sub-2 μm (1.7 μm particle size) column showed comparable performance in chromatographic resolution and separation, increasing selectivity, and reducing analysis time. UHPLC was coupled with either a triple quadrupole mass analyzer (MS/MS) or a quadrupole Orbitrap (namely Orbital trap) mass spectrometer (Q-Orbitrap MS), which possesses fast data acquisition capability. Both

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Ashrafkhani, Behnam, Chris Chambers, Michael Wieser, Robert Thompson, and A. A. Kwiatkowski. "Optimizing Ion Optical Design for Laser Ablation Source in Mass Spectrometry." Journal of Physics: Conference Series 2743, no. 1 (2024): 012086. http://dx.doi.org/10.1088/1742-6596/2743/1/012086.

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Abstract The study focuses on optimizing a Laser Ablation Source (LAS) for use in mass spectrometry, particularly aiming to enhance transmission of ions and and determination of isotopic compositions in diverse matrices at TRIUMF’s Ion Trap for Atomic and Nuclear Science (TITAN). Critical variables affecting mass spectrometer resolution, such as ion kinetic energy distribution and ion transport are optimized through LAS. The paper explores the importance of consistent initial conditions, ion transport efficiency, and ion capture for accurate and reproducible measurements. Using SIMION software

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Müller, Max A., Dhaka R. Bhandari, and Bernhard Spengler. "Matrix-Free High-Resolution Atmospheric-Pressure SALDI Mass Spectrometry Imaging of Biological Samples Using Nanostructured DIUTHAME Membranes." Metabolites 11, no. 9 (2021): 624. http://dx.doi.org/10.3390/metabo11090624.

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Applications of mass spectrometry imaging (MSI), especially matrix-assisted laser desorption/ionization (MALDI) in the life sciences are becoming increasingly focused on single cell analysis. With the latest instrumental developments, pixel sizes in the micrometer range can be obtained, leading to challenges in matrix application, where imperfections or inhomogeneities in the matrix layer can lead to misinterpretation of MS images. Thereby, the application of premanufactured, homogeneous ionization-assisting devices is a promising approach. Tissue sections were investigated using a matrix-free

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Meng, Zhijuan, Qiang Li, Jianhan Cong, et al. "Rapid Screening of 350 Pesticide Residues in Vegetable and Fruit Juices by Multi-Plug Filtration Cleanup Method Combined with Gas Chromatography-Electrostatic Field Orbitrap High Resolution Mass Spectrometry." Foods 10, no. 7 (2021): 1651. http://dx.doi.org/10.3390/foods10071651.

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A new method for screening pesticide residues in vegetable and fruit juices by the multi-plug filtration cleanup (m-PFC) method combined with gas chromatography-electrostatic field orbitrap high resolution mass spectrometry(GC-Orbitrap/MS) was developed. The samples were extracted with acetonitrile, purified with m-PFC and determined by GC-Orbitrap/MS. Qualitative analysis was confirmed by retention time, accurate molecular mass and quantitative analysis were performed with the matrix standard calibration. It could eliminate matrix interference effectively. Eight kinds of typical samples (oran

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Klein, Joshua, Luis Carvalho, and Joseph Zaia. "Application of network smoothing to glycan LC-MS profiling." Bioinformatics 34, no. 20 (2018): 3511–18. http://dx.doi.org/10.1093/bioinformatics/bty397.

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Abstract Motivation Glycosylation is one of the most heterogeneous and complex protein post-translational modifications. Liquid chromatography coupled mass spectrometry (LC-MS) is a common high throughput method for analyzing complex biological samples. Accurate study of glycans require high resolution mass spectrometry. Mass spectrometry data contains intricate sub-structures that encode mass and abundance, requiring several transformations before it can be used to identify biological molecules, requiring automated tools to analyze samples in a high throughput setting. Existing tools for inte

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Zhang, Jida, Hao Cai, Gang Cao, Xiao Liu, Chengping Wen, and Yongsheng Fan. "Exploring Potential Chemical Transformation by Chemical Profiling Approach for Rapidly Evaluating Chemical Consistency between Sun-Dried and Sulfur-Fumigated Radix Paeoniae Alba Using Ultraperformance Liquid Chromatography Coupled with Time-of-Flight Mass Spectrometry." Evidence-Based Complementary and Alternative Medicine 2013 (2013): 1–9. http://dx.doi.org/10.1155/2013/763213.

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Ultraperformance liquid chromatography coupled with time-of-flight mass spectrometry (UPLC-QTOF/MS) based on a chemical profiling method was applied to rapidly evaluate the chemical consistency between sun-dried and sulfur-fumigated Radix Paeoniae Alba. By virtue of the high resolution, high speed of UPLC, and the accurate mass measurement of TOFMS coupled with reliable MarkerLynx software, five newly assigned monoterpene glycoside sulfonates were found and identified in sulfur-fumigated Radix Paeoniae Alba samples. This method could be applied for rapid quality evaluation of different kinds o

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Melnyk, Lisa Jo, Jeffrey N. Morgan, Reshan Fernando, Edo D. Pellizzari, and Olujide Akinbo. "Determination of Metals in Composite Diet Samples by Inductively Coupled Plasma-Mass Spectrometry." Journal of AOAC INTERNATIONAL 86, no. 2 (2003): 439–48. http://dx.doi.org/10.1093/jaoac/86.2.439.

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Abstract A study was conducted to evaluate the applicability of inductively coupled plasma-mass spectrometry (ICP-MS) techniques for determination of metals in composite diets. Aluminum, cadmium, chromium, copper, lead, manganese, nickel, vanadium, and zinc were determined by this method. Atmospheric pressure microwave digestion was used to solubilize analytes in homogenized composite diet samples, and this procedure was followed by ICP-MS analysis. Recovery of certified elements from standard reference materials ranged from 92 to 119% with relative standard deviations (RSDs) of 0.4–1.9%. Reco

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Meirelles, João Victor, Débora Cristina Diniz Estevam, Vanessa Farelo dos Santos, et al. "Optimized Extraction Method for Neutral Cannabinoids Quantification Using UHPLC-HRMS/MS." Biomolecules 15, no. 2 (2025): 246. https://doi.org/10.3390/biom15020246.

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The Cannabis market is experiencing steady global growth. Cannabis herbal extracts (CHE) are interesting and sought-after products for many clinical conditions. The medical potential of these formulations is mainly attributed to neutral cannabinoids, such as cannabidiol (CBD), tetrahydrocannabinol (THC), and cannabinol (CBN), and their non-standardized content poses a significant fragility in these pharmaceutical inputs. High-resolution mass spectrometry portrays a powerful alternative to their accurate monitoring; however, further analytical steps need to be critically optimized to keep up wi

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Oulkar, Dasharath P., Kaushik Banerjee, and Sunil Kulkarni. "Multiresidue Analysis of Plant Growth Regulators in Grapes by Triple Quadrupole and Quadrupole–Time of Flight-Based Liquid Chromatography/Mass Spectrometry." Journal of AOAC INTERNATIONAL 94, no. 6 (2011): 1715–21. http://dx.doi.org/10.5740/jaoacint.sgeoulkar.

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Abstract A selective and sensitive LC-MS/MS method is presented for simultaneous determination of 12 plant growth regulators, viz., indol-3-acetic acid, indol-3-butyric acid, kinetin, zeatin, 6-benzyl aminopurine, gibberellic acid, abscisic acid, chlormequat chloride, forchlorfenuron, paclobutrazole, daminozide, and 2,4-dichlorophenoxy acetic acid, in bud sprouts and grape berries. The sample preparation method involved extraction of homogenized sample (5 g) with 40 mL methanol (80%), and final determination was by LC-MS/MS in the multiple reaction monitoring (MRM) mode with time segmentation

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Turnipseed, Sherri B., Jack J. Lohne, and Joe O. Boison. "Review: Application of High Resolution Mass Spectrometry to Monitor Veterinary Drug Residues in Aquacultured Products." Journal of AOAC INTERNATIONAL 98, no. 3 (2015): 550–58. http://dx.doi.org/10.5740/jaoacint.14-265.

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Abstract High resolution MS (HRMS) instruments provide accurate mass measurements. With HRMS, virtually an unlimited number of compounds can be analyzed simultaneously because full-scan data are collected, rather than preselected ion transitions corresponding to specific compounds. This enables the development of methods that can monitor for a wide scope of residues and contaminants in aquacultured fish and shellfish including antibiotics, metabolites, and emerging contaminants. Applications of HRMS to the analysis of veterinary drug residues in aquacultured products are summarized in this rev

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Smith, David P., Tom W. Knapman, Iain Campuzano, et al. "Deciphering Drift Time Measurements from Travelling Wave Ion Mobility Spectrometry-Mass Spectrometry Studies." European Journal of Mass Spectrometry 15, no. 2 (2009): 113–30. http://dx.doi.org/10.1255/ejms.947.

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Detailed knowledge of the tertiary and quaternary structure of proteins and protein complexes is of immense importance in understanding their functionality. Similarly, variations in the conformational states of proteins form the underlying mechanisms behind many biomolecular processes, numerous of which are disease-related. Thus, the availability of reliable and accurate biophysical techniques that can provide detailed information concerning these issues is of paramount importance. Ion mobility spectrometry (IMS) coupled to mass spectrometry (MS) offers a unique opportunity to separate multi-c

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