Flow infusion electrospray ionisation mass spectrometry for high throughput, non-targeted metabolite fingerprinting: a review

Random Forests

Breiman, L. (2001) · Machine Learning · doi:10.1023/a:1010933404324 · Cited by 133,538

Metabolomics—the link between genotypes and phenotypes

Fiehn, O. (2002) · Plant Molecular Biology · doi:10.1023/a:1013713905833 · Cited by 3,445

Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry.

The Human Serum Metabolome (HUSERMET) Consortium, Dunn, W. B., Broadhurst, D., Begley, P., Zelena, E., Francis-McIntyre, S., Anderson, N., Brown, M., Knowles, J. D., Halsall, A., et al. (2011) · Nature Protocols · doi:10.1038/nprot.2011.335 · Cited by 3,294

Metabolomics — the link between genotypes and phenotypes

Fiehn, O. (2002) · Springer eBooks · doi:10.1007/978-94-010-0448-0_11 · Cited by 3,168

Centering, scaling, and transformations: improving the biological information content of metabolomics data

van den Berg, R. A., Hoefsloot, H. C., Westerhuis, J. A., Smilde, A. K., & van der Werf, M. J. (2006) · BMC Genomics · doi:10.1186/1471-2164-7-142 · Cited by 2,450

Mass spectrometry‐based metabolomics

Dettmer, K., Aronov, P. A., & Hammock, B. D. (2006) · Mass Spectrometry Reviews · doi:10.1002/mas.20108 · Cited by 2,379

Gas chromatography mass spectrometry–based metabolite profiling in plants

Lisec, J., Schauer, N., Kopka, J., Willmitzer, L., & Fernie, A. R. (2006) · Nature Protocols · doi:10.1038/nprot.2006.59 · Cited by 2,176

Ion Suppression in Mass Spectrometry

Annesley, T. M. (2003) · Clinical Chemistry · doi:10.1373/49.7.1041 · Cited by 1,598

Assessment of PLSDA Cross Validation

Westerhuis, J. A., Hoefsloot, H. C. J., Smit, S., Vis, D. J., Smilde, A. K., van Velzen, E. J. J., van Duijnhoven, J. P. M., & van Dorsten, F. A. (2008) · Metabolomics · doi:10.1007/s11306-007-0099-6 · Cited by 1,471

CAMERA: An Integrated Strategy for Compound Spectra Extraction and Annotation of Liquid Chromatography/Mass Spectrometry Data Sets

Kuhl, C., Tautenhahn, R., Böttcher, C., Larson, T. R., & Neumann, S. (2011) · Analytical Chemistry · doi:10.1021/ac202450g · Cited by 1,208

Toward Merging Untargeted and Targeted Methods in Mass Spectrometry-Based Metabolomics and Lipidomics

Čajka, T., & Fiehn, O. (2015) · Analytical Chemistry · doi:10.1021/acs.analchem.5b04491 · Cited by 839

Current approaches and challenges for the metabolite profiling of complex natural extracts

Wolfender, J.-L., Marti, G., Thomas, A., & Bertrand, S. (2015) · Journal of Chromatography A · doi:10.1016/j.chroma.2014.10.091 · Cited by 635

The food metabolome: a window over dietary exposure

Scalbert, A., Brennan, L., Manach, C., Andres-Lacueva, C., Dragsted, L. O., Draper, J., Rappaport, S. M., van der Hooft, J. J., & Wishart, D. S. (2014) · The American Journal of Clinical Nutrition · doi:10.3945/ajcn.113.076133 · Cited by 519

Abiotic Stress - Plant Responses and Applications in Agriculture

Vahdati, K., & Leslie, C. A. (2013) · InTech eBooks · doi:10.5772/45842 · Cited by 385

Accelerating Metabolite Identification in Natural Product Research: Toward an Ideal Combination of Liquid Chromatography–High-Resolution Tandem Mass Spectrometry and NMR Profiling, in Silico Databases, and Chemometrics

Wolfender, J., Nuzillard, J., van der Hooft, J. J. J., Renault, J., & Bertrand, S. (2018) · Analytical Chemistry · doi:10.1021/acs.analchem.8b05112 · Cited by 338

High-throughput discovery metabolomics

Fuhrer, T., & Zamboni, N. (2014) · Current Opinion in Biotechnology · doi:10.1016/j.copbio.2014.08.006 · Cited by 267

A three‐minute method for high‐throughput quantitative metabolomics and quantitative tracing experiments of central carbon and nitrogen pathways

Nemkov, T. G., Hansen, K. C., & D’Alessandro, A. (2017) · Rapid Communications in Mass Spectrometry · doi:10.1002/rcm.7834 · Cited by 259

Adulteration of Dietary Supplements by the Illegal Addition of Synthetic Drugs: A Review

Rocha, T., Amaral, J. S., & Oliveira, M. B. P. P. (2015) · Comprehensive Reviews in Food Science and Food Safety · doi:10.1111/1541-4337.12173 · Cited by 252

Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery

Kell, D. B., & Goodacre, R. (2013) · Drug Discovery Today · doi:10.1016/j.drudis.2013.07.014 · Cited by 175

Characterising and correcting batch variation in an automated direct infusion mass spectrometry (DIMS) metabolomics workflow

Kirwan, J., Broadhurst, D., Davidson, R., & Viant, M. R. (2013) · Analytical and Bioanalytical Chemistry · doi:10.1007/s00216-013-6856-7 · Cited by 168

Direct infusion mass spectrometry metabolomics dataset: a benchmark for data processing and quality control

Kirwan, J., Weber, R. J. M., Broadhurst, D., & Viant, M. R. (2014) · Scientific Data · doi:10.1038/sdata.2014.12 · Cited by 146

Abiotic Stress in Plants and Metabolic Responses

Fraire-Velázquez, S., & Emmanuel, V. (2013) · InTech eBooks · doi:10.5772/54859 · Cited by 115

A Metabolic Profiling Strategy for the Dissection of Plant Defense against Fungal Pathogens

Aliferis, K. A., Faubert, D., & Jabaji, S. (2014) · PLoS ONE · doi:10.1371/journal.pone.0111930 · Cited by 115

Organic N molecules in the soil solution: what is known, what is unknown and the path forwards

Warren, C. R. (2013) · Plant and Soil · doi:10.1007/s11104-013-1939-y · Cited by 117

Current state of the art of mass spectrometry-based metabolomics studies – a review focusing on wide coverage, high throughput and easy identification

Wang, Y., Liu, S., Yuanjia, H., Li, P., & Wan, J. (2015) · RSC Advances · doi:10.1039/c5ra14058g · Cited by 112

Direct Infusion Mass Spectrometry for Metabolomic Phenotyping of Diseases

González‐Domínguez, R., Sayago, A., & Fernández‐Recamales, Á. (2016) · Bioanalysis · doi:10.4155/bio-2016-0202 · Cited by 100

Metabolomic screening of regional brain alterations in the APP/PS1 transgenic model of Alzheimer's disease by direct infusion mass spectrometry

González‐Domínguez, R., García‐Barrera, T., Vitórica, J., & Gómez‐Ariza, J. L. (2014) · Journal of Pharmaceutical and Biomedical Analysis · doi:10.1016/j.jpba.2014.10.009 · Cited by 93

Using direct infusion mass spectrometry for serum metabolomics in Alzheimer’s disease

González‐Domínguez, R., García‐Barrera, T., & Gómez‐Ariza, J. L. (2014) · Analytical and Bioanalytical Chemistry · doi:10.1007/s00216-014-8102-3 · Cited by 93

New advances in analytical methods for mass spectrometry-based large-scale metabolomics study

Liu, X., Zhou, L., Shi, X., & Xu, G. (2019) · TrAC Trends in Analytical Chemistry · doi:10.1016/j.trac.2019.115665 · Cited by 85

Metabolomics of carotenoids: The challenges and prospects – A review

Arathi, B. P., Sowmya, P. R., Vijay, K., Baskaran, V., & Lakshminarayana, R. (2015) · Trends in Food Science & Technology · doi:10.1016/j.tifs.2015.06.003 · Cited by 85

Application of a novel metabolomic approach based on atmospheric pressure photoionization mass spectrometry using flow injection analysis for the study of Alzheimer׳s disease

González‐Domínguez, R., García‐Barrera, T., & Gómez‐Ariza, J. L. (2014) · Talanta · doi:10.1016/j.talanta.2014.07.075 · Cited by 79

The metabolomic detection of lung cancer biomarkers in sputum

Cameron, S. J. S., Lewis, K. E., Beckmann, M., Allison, G. G., Ghosal, R., Lewis, P. D., & Mur, L. A. J. (2016) · Lung Cancer · doi:10.1016/j.lungcan.2016.02.006 · Cited by 75

Metabolic profiling of potential lung cancer biomarkers using bronchoalveolar lavage fluid and the integrated direct infusion/ gas chromatography mass spectrometry platform

Leblic, B. C., García‐Barrera, T., Guzmán, J. G., Pereira‐Vega, A., & Gómez‐Ariza, J. L. (2016) · Journal of Proteomics · doi:10.1016/j.jprot.2016.05.030 · Cited by 72

The role of direct high-resolution mass spectrometry in foodomics

Ibáñez, C., Simó, C., García‐Cañas, V., Acunha, T., & Cifuentes, A. (2015) · Analytical and Bioanalytical Chemistry · doi:10.1007/s00216-015-8812-1 · Cited by 70

Combining DI-ESI–MS and NMR datasets for metabolic profiling

Marshall, D. D., Lei, S., Worley, B., Huang, Y., García‐García, A., Franco, R., Dodds, E. D., & Powers, R. (2014) · Metabolomics · doi:10.1007/s11306-014-0704-4 · Cited by 70

Mass spectrometry‐based metabolomic analysis as a tool for quality control of natural complex products

Mattoli, L., Gianni, M., & Burico, M. (2022) · Mass Spectrometry Reviews · doi:10.1002/mas.21773 · Cited by 68

The role of metabolomics in determination of new dietary biomarkers

O’Gorman, A., & Brennan, L. (2017) · Proceedings of The Nutrition Society · doi:10.1017/s0029665116002974 · Cited by 61

Ion mobility spectrometry combined with ultra performance liquid chromatography/mass spectrometry for metabolic phenotyping of urine: Effects of column length, gradient duration and ion mobility spectrometry on metabolite detection

Rainville, P. D., Wilson, I. D., Nicholson, J. K., Isaac, G., Mullin, L. G., Langridge, J., & Plumb, R. S. (2017) · Analytica Chimica Acta · doi:10.1016/j.aca.2017.06.020 · Cited by 59

Nontargeted Detection of Adulteration of Skim Milk Powder with Foreign Proteins Using UHPLC–UV

Jablonski, J. E., Moore, J. C., & Harnly, J. M. (2014) · Journal of Agricultural and Food Chemistry · doi:10.1021/jf404924x · Cited by 56

Progress in Carotenoid Research

Zepka, L. Q., Lopes, E. J., & de Rosso, V. V. (2018) · InTech eBooks · doi:10.5772/intechopen.73775 · Cited by 56

Spatiotemporal metabolomic approaches to the cancer-immunity panorama: a methodological perspective

Xiao, Y., Li, Y., & Zhao, H. (2024) · Molecular Cancer · doi:10.1186/s12943-024-02113-9 · Cited by 61

Optimization and Application of Direct Infusion Nanoelectrospray HRMS Method for Large-Scale Urinary Metabolic Phenotyping in Molecular Epidemiology

Chekmeneva, E., Correia, G. D. S., Chan, Q. M., Wijeyesekera, A., Tin, A., Young, J. H., Elliott, P., Nicholson, J. K., & Holmes, E. C. (2017) · Journal of Proteome Research · doi:10.1021/acs.jproteome.6b01003 · Cited by 55

Application of metabolomics based on direct mass spectrometry analysis for the elucidation of altered metabolic pathways in serum from the APP/PS1 transgenic model of Alzheimer's disease

González‐Domínguez, R., García‐Barrera, T., Vitórica, J., & Gómez‐Ariza, J. L. (2015) · Journal of Pharmaceutical and Biomedical Analysis · doi:10.1016/j.jpba.2015.01.025 · Cited by 54

Development of a Rapid Microbore Metabolic Profiling Ultraperformance Liquid Chromatography–Mass Spectrometry Approach for High-Throughput Phenotyping Studies

Gray, N., Adesina-Georgiadis, K. N., Chekmeneva, E., Plumb, R. S., Wilson, I. D., & Nicholson, J. K. (2016) · Analytical Chemistry · doi:10.1021/acs.analchem.6b00038 · Cited by 53

Generalized Calibration Across Liquid Chromatography Setups for Generic Prediction of Small-Molecule Retention Times

Bouwmeester, R., Martens, L., & Degroeve, S. (2020) · Analytical Chemistry · doi:10.1021/acs.analchem.0c00233 · Cited by 46

Metabolomics‐driven approaches for identifying therapeutic targets in drug discovery

Pan, S., Yin, L., Liu, J., Tong, J., Wang, Z., Zhao, J., Liu, X., Chen, Y., Miao, J., Zhou, Y., et al. (2024) · MedComm · doi:10.1002/mco2.792 · Cited by 49

Intact Endogenous Metabolite Analysis of Mice Liver by Probe Electrospray Ionization/Triple Quadrupole Tandem Mass Spectrometry and Its Preliminary Application to in Vivo Real-Time Analysis

Zaitsu, K., Hayashi, Y., Murata, T., Ohara, T., Nakagiri, K., Kusano, M., Nakajima, H., Nakajima, T., Ishikawa, T., Tsuchihashi, H., et al. (2016) · Analytical Chemistry · doi:10.1021/acs.analchem.5b04046 · Cited by 48

Potential of Mass Spectrometry Metabolomics for Chemical Food Safety

Gallart‐Ayala, H., Chéreau, S., Dervilly, G., & Bizec, B. L. (2015) · Bioanalysis · doi:10.4155/bio.14.267 · Cited by 42

Recent advances in liquid‐phase separations for clinical metabolomics

Köhler, I., & Giera, M. A. (2016) · Journal of Separation Science · doi:10.1002/jssc.201600981 · Cited by 41

Metabolomic‐guided discovery of Alzheimer's disease biomarkers from body fluid

Ady, C. N. A. E., Lim, S. M., Teh, L. K., Salleh, M. Z., Chin, A., Tan, M. P., Poi, P. J. H., Kamaruzzaman, S. B., Majeed, A. B. A., & Ramasamy, K. (2017) · Journal of Neuroscience Research · doi:10.1002/jnr.24048 · Cited by 41

Applications of chromatographic methods in metabolomics: A review

Ovbude, S. T., Sharmeen, S., Kyei, I., Olupathage, H., Jones, J. F., Bell, R. J., Powers, R., & Hage, D. S. (2024) · Journal of Chromatography B · doi:10.1016/j.jchromb.2024.124124 · Cited by 44

Nanomanipulation-coupled nanospray mass spectrometry as an approach for single cell analysis

Phelps, M. S., Hamilton, J., & Verbeck, G. F. (2014) · Review of Scientific Instruments · doi:10.1063/1.4902322 · Cited by 35

Molecular genetics and functional genomics of abiotic stress-responsive genes in oilseed rape (Brassica napus L.): a review of recent advances and future

Chikkaputtaiah, C., Debbarma, J., Baruah, I. K., Havlíčková, L., Boruah, H. P. D., & Čurn, V. (2017) · Plant Biotechnology Reports · doi:10.1007/s11816-017-0458-3 · Cited by 38

A high throughput metabolomics method and its application in female serum samples in a normal menstrual cycle based on liquid chromatography-mass spectrometry

Ouyang, Y., Tong, H., Luo, P., Kong, H., Xu, Z., Yin, P., & Xu, G. (2018) · Talanta · doi:10.1016/j.talanta.2018.03.087 · Cited by 35

Metabolite Diversity and Metabolic Genome-Wide Marker Association Studies (Mgwas) for Health Benefiting Nutritional Traits in Pearl Millet Grains

Yadav, C. B., Srivastava, R. K., Gangashetty, P. I., Yadav, R., Mur, L. A. J., & Yadav, R. S. (2021) · Cells · doi:10.3390/cells10113076 · Cited by 35

Distinguishing between the metabolome and xenobiotic exposome in environmental field samples analysed by direct-infusion mass spectrometry based metabolomics and lipidomics

Southam, A. D., Lange, A., Al-Salhi, R., Hill, E. M., Tyler, C. R., & Viant, M. R. (2014) · Metabolomics · doi:10.1007/s11306-014-0693-3 · Cited by 35

High‐performance thin‐layer chromatography/desorption electrospray ionization mass spectrometry imaging of the crude extract from the peels of Citrus aurantium L. ( Rutaceae )

Bagatela, B. S., Lopes, A. P., Cabral, E. C., Perazzo, F. F., & Ifa, D. R. (2015) · Rapid Communications in Mass Spectrometry · doi:10.1002/rcm.7246 · Cited by 32

Metabolic impairments, metal traffic, and dyshomeostasis caused by the antagonistic interaction of cadmium and selenium using organic and inorganic mass spectrometry

Rodríguez‐Moro, G., Roldán, F. N., Arenas, R. B., Arias‐Borrego, A., Leblic, B. C., Gómez‐Ariza, J. L., & García‐Barrera, T. (2019) · Environmental Science and Pollution Research · doi:10.1007/s11356-019-06573-1 · Cited by 32

Hybrid MS/NMR methods on the prioritization of natural products: Applications in drug discovery

Gomes, N. G. M., Pereira, D. M., Valentão, P., & Andrade, P. B. (2017) · Journal of Pharmaceutical and Biomedical Analysis · doi:10.1016/j.jpba.2017.07.035 · Cited by 31

Effects of Acute Systematic Hypoxia on Human Urinary Metabolites Using LC-MS-Based Metabolomics

Lou, B., Wu, P., Liu, Y., & Wang, J. (2014) · High Altitude Medicine & Biology · doi:10.1089/ham.2013.1130 · Cited by 31

Statistical Correlations between NMR Spectroscopy and Direct Infusion FT-ICR Mass Spectrometry Aid Annotation of Unknowns in Metabolomics

Hao, J., Liebeke, M., Sommer, U., Viant, M. R., Bundy, J. G., & Ebbels, T. M. D. (2016) · Analytical Chemistry · doi:10.1021/acs.analchem.5b02889 · Cited by 29

Making cocoa origin traceable: Fingerprints of chocolates using Flow Infusion - Electro Spray Ionization - Mass Spectrometry

Acierno, V., Alewijn, M., Zomer, P., & van Ruth, S. M. (2017) · Food Control · doi:10.1016/j.foodcont.2017.10.002 · Cited by 28

Connecting the dots: Advances in modern metabolomics and its application in yeast system

Sailwal, M., Das, A. J., Gazara, R. K., Dasgupta, D., Bhaskar, T., Hazra, S., & Ghosh, D. (2020) · Biotechnology Advances · doi:10.1016/j.biotechadv.2020.107616 · Cited by 29

Unambiguous metabolite identification in high‐throughput metabolomics by hybrid 1D 1 H NMR/ESI MS 1 approach

Walker, L. R., Hoyt, D. W., Walker, S. M., Ward, J., Nicora, C., & Bingol, K. (2016) · Magnetic Resonance in Chemistry · doi:10.1002/mrc.4503 · Cited by 28

Ultra-Performance Liquid Chromatography–High-Resolution Mass Spectrometry and Direct Infusion–High-Resolution Mass Spectrometry for Combined Exploratory and Targeted Metabolic Profiling of Human Urine

Chekmeneva, E., Correia, G. D. S., Gómez‐Romero, M., Stamler, J., Chan, Q. M., Elliott, P., Nicholson, J. K., & Holmes, E. C. (2018) · Journal of Proteome Research · doi:10.1021/acs.jproteome.8b00413 · Cited by 28

Characterisation of the main drivers of intra- and inter- breed variability in the plasma metabolome of dogs

Lloyd, A. J., Beckmann, M., Tailliart, K., Brown, W. Y., Draper, J., & Allaway, D. (2016) · Metabolomics · doi:10.1007/s11306-016-0997-6 · Cited by 25

MS2 and LC libraries for untargeted metabolomics: Enhancing method development and identification confidence

Inderhees, J., Begemann, K., Jöhren, O., Schwaninger, M., & Othman, A. (2020) · Journal of Chromatography B · doi:10.1016/j.jchromb.2020.122105 · Cited by 25

Mass spectrometry approaches to metabolic profiling of microbial communities within the human gastrointestinal tract

Cameron, S. J. S., & Takáts, Z. (2018) · Methods · doi:10.1016/j.ymeth.2018.04.027 · Cited by 26

High-Throughput Direct Mass Spectrometry-Based Metabolomics to Characterize Metabolite Fingerprints Associated with Alzheimer’s Disease Pathogenesis

González‐Domínguez, R., Sayago, A., & Fernández‐Recamales, Á. (2018) · Metabolites · doi:10.3390/metabo8030052 · Cited by 24

Serum metabolic profiling study of endometriosis by using wooden-tip electrospray ionization mass spectrometry

Yang, B., Liu, F., Wang, L., Zou, Y., Wang, F., Deng, W., Wan, X., Yang, X., He, M. L., & Huang, O. (2015) · Analytical Methods · doi:10.1039/c5ay01312g · Cited by 24

Plant Metabolomics: The Future of Anticancer Drug Discovery

Dabbousy, R., Rima, M., Roufayel, R., Rahal, M. K., Legros, C., Sabatier, J., & Fajloun, Z. (2024) · Pharmaceuticals · doi:10.3390/ph17101307 · Cited by 23

Ultrahigh-Resolution Mass Spectrometry-Based Platform for Plasma Metabolomics Applied to Type 2 Diabetes Research

Zhu, Y., Wancewicz, B., Schaid, M. D., Tiambeng, T. N., Wenger, K., Jin, Y., Heyman, H. M., Thompson, C. J., Barsch, A., COX, E. D., et al. (2020) · Journal of Proteome Research · doi:10.1021/acs.jproteome.0c00510 · Cited by 23

A Stable-Isotope Mass Spectrometry-Based Metabolic Footprinting Approach to Analyze Exudates from Phytoplankton

Weber, R. J. M., Selander, E., Sommer, U., & Viant, M. R. (2013) · Marine Drugs · doi:10.3390/md11114158 · Cited by 21

Rapid metabolic screening of early zebrafish embryogenesis based on direct infusion-nanoESI-FTMS

Raterink, R.-J., van der Kloet, F. M., Li, J., Wattel, N. A., Schaaf, M. J. M., Spaink, H. P., Berger, R., Vreeken, R. J., & Hankemeier, T. (2013) · Metabolomics · doi:10.1007/s11306-012-0493-6 · Cited by 20

Overcoming Selectivity and Sensitivity Issues of Direct Inject Electrospray Mass Spectrometry via DAPNe-NSI-MS

Clemons, K., Nnaji, C. N., & Verbeck, G. F. (2014) · Journal of the American Society for Mass Spectrometry · doi:10.1007/s13361-014-0842-y · Cited by 20

Advances in Mass Spectrometry for Food Authenticity Testing

Čajka, T., Showalter, M. R., Riddellová, K., & Fiehn, O. (2016) · Elsevier eBooks · doi:10.1016/b978-0-08-100220-9.00007-2 · Cited by 20

Comparison of Ambient and Atmospheric Pressure Ion Sources for Cystic Fibrosis Exhaled Breath Condensate Ion Mobility-Mass Spectrometry Metabolomics

Zang, X., Pérez, J. J., Jones, C. M., Monge, M. E., McCarty, N. A., Stecenko, A. A., & Fernández, F. M. (2017) · Journal of the American Society for Mass Spectrometry · doi:10.1007/s13361-017-1660-9 · Cited by 20

proFIA: a data preprocessing workflow for flow injection analysis coupled to high-resolution mass spectrometry

Delabrière, A., Hohenester, U. M., Colsch, B., Junot, C., Fenaille, F., & Thévenot, E. (2017) · Bioinformatics · doi:10.1093/bioinformatics/btx458 · Cited by 20

High-throughput simultaneous quantitation of multi-analytes in tobacco by flow injection coupled to high-resolution mass spectrometry

Kaiser, S., Dias, J. C., Ardila, J. A., Soares, F. L. F., Marcelo, M. C. A., Porte, L. M. F., Gonçalves, C., Canova, L. D. S., Pontes, O. F. S., & Sabin, G. P. (2018) · Talanta · doi:10.1016/j.talanta.2018.08.007 · Cited by 20

An Enhanced Isotopic Fine Structure Method for Exact Mass Analysis in Discovery Metabolomics: FIA-CASI-FTMS

Thompson, C. J., Witt, M., Forcisi, S., Moritz, F., Kessler, N., Laukien, F. H., & Schmitt‐Kopplin, P. (2020) · Journal of the American Society for Mass Spectrometry · doi:10.1021/jasms.0c00047 · Cited by 19

Recent Developments in the Analysis of Carotenoids by Mass Spectrometry

Pérez‐Gálvez, A., & Roca, M. (2018) · InTech eBooks · doi:10.5772/intechopen.79755 · Cited by 18

Analytical approaches for studying oxygenated lipids in the search of potential biomarkers by LC-MS

Villaseñor, A., Godzień, J., Barker‐Tejeda, T. C., González-Riaño, C., López-López, Á., Dudzik, D., Gradillas, A., & Barbas, C. (2021) · TrAC Trends in Analytical Chemistry · doi:10.1016/j.trac.2021.116367 · Cited by 18

Spectral binning as an approach to post-acquisition processing of high resolution FIE-MS metabolome fingerprinting data

Finch, J. P., Wilson, T., Lyons, L., Phillips, H. C., Beckmann, M., & Draper, J. (2022) · Metabolomics · doi:10.1007/s11306-022-01923-6 · Cited by 18

The role of bile acid metabolism in bone and muscle: from analytics to mechanisms

Herrmann, M., Blanco, G. R., Balasso, M., Sobolewska, K., Semeraro, M. D., Alonso, N., & Herrmann, W. (2024) · Critical Reviews in Clinical Laboratory Sciences · doi:10.1080/10408363.2024.2323132 · Cited by 17

Analytical challenges and opportunities in the study of endocrine disrupting chemicals within an exposomics framework

Marín‐Sáez, J., Hernández‐Mesa, M., Cano-Sancho, G., & García-Campaña, A. M. (2024) · Talanta · doi:10.1016/j.talanta.2024.126616 · Cited by 17

Critical overview of mass spectrometry-based lipidomics approach for evaluating lipid oxidation in foods

Kang, J., & Yeo, J. (2024) · Food Science and Biotechnology · doi:10.1007/s10068-024-01726-6 · Cited by 16

Diversity and association of phenotypic and metabolomic traits in the close model grassesBrachypodium distachyon,B. staceiandB. hybridum

López, D., Zubair, H., Beckmann, M., Draper, J., & Catalán, P. (2016) · Annals of Botany · doi:10.1093/aob/mcw239 · Cited by 15

Opportunities and challenges for sample preparation and enrichment in mass spectrometry for single‐cell metabolomics

Wevers, D., Ramautar, R., Clark, C., Hankemeier, T., & Ali, A. (2023) · Electrophoresis · doi:10.1002/elps.202300105 · Cited by 15

Characterization of rapid extraction protocols for high‐throughput metabolomics

Gehrke, S. A., Reisz, J. A., Nemkov, T. G., Hansen, K. C., & D’Alessandro, A. (2017) · Rapid Communications in Mass Spectrometry · doi:10.1002/rcm.7916 · Cited by 14

Comprehensive Metabolomic Analysis of Human Heart Tissue Enabled by Parallel Metabolite Extraction and High-Resolution Mass Spectrometry

Wancewicz, B., Pergande, M. R., Zhu, Y., Gao, Z., Shi, Z., Plouff, K., & Ge, Y. (2024) · Analytical Chemistry · doi:10.1021/acs.analchem.3c04353 · Cited by 14

Mass spectrometry-based metabolomics for an in-depth questioning of human health

Alvès, S., Paris, A., & Rathahao, E. (2020) · Advances in clinical chemistry · doi:10.1016/bs.acc.2020.02.009 · Cited by 13

Unlocking the secrets of the microbiome: exploring the dynamic microbial interplay with humans through metabolomics and their manipulation for synthetic biology applications

Muhamadali, H., Winder, C. L., Dunn, W. B., & Goodacre, R. (2023) · Biochemical Journal · doi:10.1042/bcj20210534 · Cited by 15

A preliminary study of rapid-fire high-throughput metabolite analysis using nano-flow injection/Q-TOFMS

Taki, K., Noda, S., Hayashi, Y., Tsuchihashi, H., Ishii, A., & Zaitsu, K. (2020) · Analytical and Bioanalytical Chemistry · doi:10.1007/s00216-020-02645-1 · Cited by 12

Targeted Analysis of Veterinary Drugs in Food Samples by Developing a High-Resolution Tandem Mass Spectral Library

Khadim, A., Jeelani, S. U. Y., Khan, M. N., Kumari, S., Raza, A., Ali, A., Zareena, B., Shah, S. M. Z., & Musharraf, S. G. (2023) · Journal of Agricultural and Food Chemistry · doi:10.1021/acs.jafc.3c03715 · Cited by 11

Evaluation of antioxidant supplementation in must on the development and potential reduction of different compounds involved in atypical ageing of wine using HPLC-HRMS

Nardin, T., Román, T., Dekker, S., Nicolini, G., Thei, F., Masina, B., & Larcher, R. (2021) · LWT · doi:10.1016/j.lwt.2021.112639 · Cited by 11

Metabolic Impairments Caused by a “Chemical Cocktail” of DDE and Selenium in Mice Using Direct Infusion Triple Quadrupole Time-of-Flight and Gas Chromatography–Mass Spectrometry

Rodríguez‐Moro, G., Abril, N., Jara-Biedma, R., Ramírez‐Acosta, S., Gómez‐Ariza, J. L., & García‐Barrera, T. (2019) · Chemical Research in Toxicology · doi:10.1021/acs.chemrestox.9b00102 · Cited by 10

Combination of HPLC with organic and inorganic mass spectrometry to study the metabolic response of the clam Scrobicularia plana to arsenic exposure

Rodríguez‐Moro, G., García‐Barrera, T., Trombini, C., Blasco, J., & Gómez‐Ariza, J. L. (2017) · Electrophoresis · doi:10.1002/elps.201700318 · Cited by 10

Comparative Evaluation of Red Wine from Various European Regions Using Mass Spectrometry Tools

Karasiński, J., Torres-Elguera, J. C., Ibarra, A. A. G., Wróbel, K., Bulska, E., & Wrobel, K. (2018) · Analytical Letters · doi:10.1080/00032719.2018.1442472 · Cited by 10

Evaluation and validation of an analytical approach for high-throughput metabolomic fingerprinting using direct introduction–high-resolution mass spectrometry: Applicability to classification of urine of scrapie-infected ewes

Rathahao, E., Alvès, S., Boussaid, N., Picard‐Hagen, N., Gayrard, V., Toutain, P., Tabet, J., Rutledge, D. N., & Paris, A. (2018) · European Journal of Mass Spectrometry · doi:10.1177/1469066718806450 · Cited by 9

High-Throughput Metabolomics Based on Direct Mass Spectrometry Analysis in Biomedical Research

González‐Domínguez, R., González‐Domínguez, Á., Segundo, C., Schwarz, M., Sayago, A., Mateos, R. M., Durán, E., Lechuga-Sancho, A. M., & Fernández‐Recamales, Á. (2019) · Methods in molecular biology · doi:10.1007/978-1-4939-9236-2_3 · Cited by 9

Effect of antioxidant supplementation on the polysulfides of white wines

Nardin, T., Larcher, R., van Leeuwen, K. A., Pilkington, L. I., Román, T., Malacarne, M., & Fedrizzi, B. (2020) · LWT · doi:10.1016/j.lwt.2020.110132 · Cited by 9

Comparison of liquid chromatography-mass spectrometry and direct infusion microchip electrospray ionization mass spectrometry in global metabolomics of cell samples

Pöhö, P., Lipponen, K., Bespalov, M. M., Sikanen, T. M., Kotiaho, T., & Kostiainen, R. K. (2019) · European Journal of Pharmaceutical Sciences · doi:10.1016/j.ejps.2019.104991 · Cited by 9

Development of nanoelectrospray high resolution isotope dilution mass spectrometry for targeted quantitative analysis of urinary metabolites: application to population profiling and clinical studies

Chekmeneva, E., Correia, G. D. S., Dénes, J., Gómez‐Romero, M., Wijeyesekera, A., Perenyi, D. R., Koot, Y. E., Boomsma, C. M., Want, E., Dixon, P. H., et al. (2015) · Analytical Methods · doi:10.1039/c5ay00850f · Cited by 8

Fragmentation study of clerodane diterpenes from Casearia species by tandem mass spectrometry (quadrupole time‐of‐flight and ion trap)

Danuello, A., de Castro, R. C., Pilon, A. C., Bueno, P. C. P., Pivatto, M., Júnior, G. M. V., Carvalho, F. A., Oda, F. B., Perez, C. J., Lopes, N. P., et al. (2020) · Rapid Communications in Mass Spectrometry · doi:10.1002/rcm.8781 · Cited by 8

Rapid, Label‐Free Screening of Diverse Biotransformations by Flow‐Injection Mass Spectrometry

Berger, S. A., Grimm, C., Nyenhuis, J., Payer, S. E., Oroz‐Guinea, I., Schrittwieser, J. H., & Kroutil, W. (2023) · ChemBioChem · doi:10.1002/cbic.202300170 · Cited by 8

Population divergence in heat and drought responses of a coastal plant: from metabolic phenotypes to plant morphology and growth

Schrieber, K., Glüsing, S., Peters, L., Eichert, B., Althoff, M., Schwarz, K., Erfmeier, A., & Demetrowitsch, T. J. (2023) · Journal of Experimental Botany · doi:10.1093/jxb/erad147 · Cited by 7

Fast High–Resolution Mass Spectrometry and Chemometrics for Evaluation of Sensory Parameters of Commercial Coffee Blends

Cardoso, V. G. K., Sabin, G. P., & Hantao, L. W. (2021) · Brazilian Journal of Analytical Chemistry · doi:10.30744/brjac.2179-3425.ar-11-2021 · Cited by 7

LC-MS Fingerprinting Development for Standardized Precipitate from Agastache mexicana, Which Induces Antihypertensive Effect through NO Production and Calcium Channel Blockade

Cruz-Torres, K., Estrada-Soto, S. E., Arias-Durán, L., Navarrete‐Vázquez, G., Almanza-Pérez, J. C., Mora-Ramiro, B., Perea-Arango, I., Hernández‐Núñez, E., Villalobos‐Molina, R., Carmona-Castro, G., et al. (2023) · Pharmaceutics · doi:10.3390/pharmaceutics15092346 · Cited by 7

Metabolite Profiling by Direct Analysis in Real-Time Mass Spectrometry

Jones, C. M., Monge, M. E., & Fernández, F. M. (2014) · Methods in molecular biology · doi:10.1007/978-1-4939-1258-2_18 · Cited by 7

Autonomous Science: Big Data Tools for Small Data Problems in Chemistry

Geiger, A. C., Cao, Z., Song, Z., Ulcickas, J. R. W., & Simpson, G. J. (2020) · Royal Society of Chemistry eBooks · doi:10.1039/9781839160233-00450 · Cited by 7

ORIGINAL ARTICLE Flow

Am, J. D., Beckmann, M., & Goodacre, R. (2013)

High-throughput, nontargeted metabolite fingerprinting using nominal mass flow injection electrospray mass spectrometry

Beckmann, M., Parker, D., Enot, D. P., Duval, E., & Draper, J. (2008) · Nature Protocols · doi:10.1038/nprot.2007.500 · Cited by 136

Automated work-flow for processing high-resolution direct infusion electrospray ionization mass spectral fingerprints

Hansen, M. A. E., & Smedsgaard, J. (2007) · Metabolomics · doi:10.1007/s11306-006-0044-0 · Cited by 10

A complete workflow for high-resolution spectral-stitching nanoelectrospray direct-infusion mass-spectrometry-based metabolomics and lipidomics

Southam, A. D., Weber, R. J. M., Engel, J., Jones, M. R., & Viant, M. R. (2017) · Nature Protocols · doi:10.1038/nprot.2016.156 · Cited by 168

Flow Infusion ESI High Resolution Mass Spectrometry Metabolomics Analytical Platforms

Wood, P. L. (2020) · Neuromethods · doi:10.1007/978-1-0716-0864-7_1 · Cited by 2