New Advances in Separation Science for Metabolomics: Resolving Chemical Diversity in a Post-Genomic Era

High resolution two-dimensional electrophoresis of proteins.

O'Farrell, P. (1975) · Journal of Biological Chemistry · doi:10.1016/s0021-9258(19)41496-8 · Cited by 19,246

The sequence of the human genome

Venter, J. C., Adams, M. D., Myers, E. W., Li, P. W., Mural, R. J., Sutton, G. G., Smith, H. O., Yandell, M., Evans, C. A., Holt, R. A., et al. (2001) · Science · doi:10.1126/science.1058040 · Cited by 13,909

Electrospray Ionization for Mass Spectrometry of Large Biomolecules

Fenn, J. B., Mann, M., Meng, C. K., Wong, S. F., & Whitehouse, C. M. (1989) · Science · doi:10.1126/science.2675315 · Cited by 7,634

Whole-Genome Random Sequencing and Assembly of Haemophilus influenzae Rd

Fleischmann, R. D., Adams, M. D., White, O., Clayton, R. A., Kirkness, E. F., Kerlavage, A. R., Bult, C. J., Tomb, J.-F., Dougherty, B. A., Merrick, J. M., et al. (1995) · Science · doi:10.1126/science.7542800 · Cited by 5,654

Gut flora metabolism of phosphatidylcholine promotes cardiovascular disease

Wang, Z., Klipfell, E., Bennett, B. J., Koeth, R., Levison, B. S., DuGar, B., Feldstein, A. E., Britt, E. B., Fu, X., Chung, Y.-M., et al. (2011) · Nature · doi:10.1038/nature09922 · Cited by 5,597

Proposed minimum reporting standards for chemical analysis: Chemical Analysis Working Group (CAWG) Metabolomics Standards Initiative (MSI)

Sumner, L. W., Amberg, A., Barrett, D., Beale, M. H., Beger, R., Daykin, C. A., Fan, T. W.-M., Fiehn, O., Goodacre, R., Griffin, J. L., et al. (2007) · Metabolomics · doi:10.1007/s11306-007-0082-2 · Cited by 5,368

Life with 6000 Genes

Goffeau, A., Barrell, B. G., Bussey, H., Davis, R. W., Dujon, B., Feldmann, H., Galibert, F., Hoheisel, J. D., Jacq, C., Johnston, M., et al. (1996) · Science · doi:10.1126/science.274.5287.546 · Cited by 4,263

'Metabonomics': understanding the metabolic responses of living systems to pathophysiological stimuli via multivariate statistical analysis of biological NMR spectroscopic data

Nicholson, J. K., Lindon, J. C., & Holmes, E. (1999) · Xenobiotica · doi:10.1080/004982599238047 · Cited by 3,895

MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data

Pluskal, T., Castillo, S., Villar-Briones, A., & Orešič, M. (2010) · BMC Bioinformatics · doi:10.1186/1471-2105-11-395 · Cited by 3,845

Metabolomics—the link between genotypes and phenotypes

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

Metabolomics — the link between genotypes and phenotypes

Fiehn, O. (2002) · Functional Genomics · doi:10.1007/978-94-010-0448-0_11 · Cited by 3,167

HMDB 3.0—The Human Metabolome Database in 2013

Wishart, D. S., Jewison, T., Guo, A. C., Wilson, M., Knox, C., Liu, Y., Djoumbou, Y., Mandal, R., Aziat, F., Dong, E., et al. (2012) · Nucleic Acids Research · doi:10.1093/nar/gks1065 · Cited by 2,845

Metabolomics analysis reveals large effects of gut microflora on mammalian blood metabolites

Wikoff, W. R., Anfora, A. T., Liu, J., Schultz, P. G., Lesley, S. A., Peters, E. C., & Siuzdak, G. (2009) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0812874106 · Cited by 2,677

Metabolomics: the apogee of the omics trilogy

Patti, G. J., Yanes, O., & Siuzdak, G. (2012) · Nature Reviews Molecular Cell Biology · doi:10.1038/nrm3314 · Cited by 2,571

MassBank: a public repository for sharing mass spectral data for life sciences

Horai, H., Arita, M., Kanaya, S., Nihei, Y., Ikeda, T., Suwa, K., Ojima, Y., Tanaka, K., Tanaka, S., Aoshima, K., et al. (2010) · Journal of Mass Spectrometry · doi:10.1002/jms.1777 · Cited by 2,529

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

Proteomics to study genes and genomes

Pandey, A., & Mann, M. (2000) · Nature · doi:10.1038/35015709 · Cited by 2,373

Mass spectrometry‐based metabolomics

Dettmer, K., Aronov, P. A., & Hammock, B. D. (2007) · Mass Spectrometry Reviews · doi:10.1002/mas.20108 · Cited by 2,241

Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression

Sreekumar, A., Poisson, L. M., Rajendiran, T. M., Khan, A. P., Cao, Q., Yu, J., Laxman, B., Mehra, R., Lonigro, R. J., Li, Y., et al. (2009) · Nature · doi:10.1038/nature07762 · Cited by 2,234

METLIN—a metabolite mass spectral database

Smith, C. A., Maille, G. O., Want, E. J., Qin, C., Trauger, S. A., Brandon, T. R., Custodio, D. E., Abagyan, R., & Siuzdak, G. (2005) · Therapeutic Drug Monitoring · doi:10.1097/01.ftd.0000179845.53213.39 · Cited by 2,226

Gas‐chromatographische Charakterisierung organischer Verbindungen. Teil 1: Retentionsindices aliphatischer Halogenide, Alkohole, Aldehyde und Ketone

Kováts, E. (1958) · Helvetica Chimica Acta · doi:10.1002/hlca.19580410703 · Cited by 2,181

Metabolite profiling for plant functional genomics

Fiehn, O., Kopka, J., Dörmann, P., Altmann, T., Trethewey, R. N., & Willmitzer, L. (2000) · Nature Biotechnology · doi:10.1038/81137 · Cited by 2,127

Electrokinetic separations with micellar solutions and open-tubular capillaries

Terabe, S., Otsuka, K., Ichikawa, K., Tsuchiya, A., & Ando, T. (1984) · Analytical Chemistry · doi:10.1021/ac00265a031 · Cited by 1,970

Hydrophilic-interaction chromatography for the separation of peptides, nucleic acids and other polar compounds

Alpert, A. J. (1990) · Journal of Chromatography A · doi:10.1016/s0021-9673(00)96972-3 · Cited by 1,966

Metabonomics: a platform for studying drug toxicity and gene function

Nicholson, J. K., Connelly, J., Lindon, J. C., & Holmes, E. (2002) · Nature Reviews Drug Discovery · doi:10.1038/nrd728 · Cited by 1,914

The Diploid Genome Sequence of an Individual Human

Levy, S., Sutton, G., Ng, P. C., Feuk, L., Halpern, A. L., Walenz, B. P., Axelrod, N., Huang, J., Kirkness, E. F., Denisov, G., et al. (2007) · PLoS Biology · doi:10.1371/journal.pbio.0050254 · Cited by 1,778

The Human Serum Metabolome

Psychogios, N., Hau, D. D., Peng, J., Guo, A. C., Mandal, R., Bouatra, S., Sinelnikov, I., Krishnamurthy, R., Eisner, R., Gautam, B., et al. (2011) · PLoS ONE · doi:10.1371/journal.pone.0016957 · Cited by 1,703

Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography

van Deemter, J. J., Zuiderweg, F. J., & Klinkenberg, A. (1956) · Chemical Engineering Science · doi:10.1016/0009-2509(56)80003-1 · Cited by 1,698

Ion Suppression in Mass Spectrometry

Annesley, T. M. (2003) · Clinical Chemistry · doi:10.1373/49.7.1041 · Cited by 1,591

FiehnLib: Mass Spectral and Retention Index Libraries for Metabolomics Based on Quadrupole and Time-of-Flight Gas Chromatography/Mass Spectrometry

Kind, T., Wohlgemuth, G., Lee, D. Y., Lu, Y., Palazoglu, M., Shahbaz, S., & Fiehn, O. (2009) · Analytical Chemistry · doi:10.1021/ac9019522 · Cited by 1,482

Practical implications of some recent studies in electrospray ionization fundamentals

Cech, N. B., & Enke, C. G. (2001) · Mass Spectrometry Reviews · doi:10.1002/mas.10008 · Cited by 1,435

Global reconstruction of the human metabolic network based on genomic and bibliomic data

Duarte, N. C., Becker, S. A., Jamshidi, N., Thiele, I., Mo, M. L., Vo, T. D., Srivas, R., & Palsson, B. Ø. (2007) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0610772104 · Cited by 1,374

Integrated, Nontargeted Ultrahigh Performance Liquid Chromatography/Electrospray Ionization Tandem Mass Spectrometry Platform for the Identification and Relative Quantification of the Small-Molecule Complement of Biological Systems

Evans, A. M., DeHaven, C. D., Barrett, T., Mitchell, M., & Milgram, E. (2009) · Analytical Chemistry · doi:10.1021/ac901536h · Cited by 1,333

XCMS Online: A Web-Based Platform to Process Untargeted Metabolomic Data

Tautenhahn, R., Patti, G. J., Rinehart, D., & Siuzdak, G. (2012) · Analytical Chemistry · doi:10.1021/ac300698c · Cited by 1,319

Systematic functional analysis of the yeast genome

Oliver, S. (1998) · Trends in Biotechnology · doi:10.1016/s0167-7799(98)01214-1 · Cited by 1,302

Headspace solid-phase microextraction

Zhang, Z., & Pawliszyn, J. (1993) · Analytical Chemistry · doi:10.1021/ac00062a008 · Cited by 1,225

Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry

Kind, T., & Fiehn, O. (2007) · BMC Bioinformatics · doi:10.1186/1471-2105-8-105 · Cited by 1,201

Electrokinetic chromatography with micellar solution and open-tubular capillary

Terabe, S., Otsuka, K., & Ando, T. (1985) · Analytical Chemistry · doi:10.1021/ac00281a014 · Cited by 1,195

Global metabolic profiling procedures for urine using UPLC–MS

Want, E. J., Wilson, I. D., Gika, H., Theodoridis, G., Plumb, R. S., Shockcor, J., Holmes, E., & Nicholson, J. K. (2010) · Nature Protocols · doi:10.1038/nprot.2010.50 · Cited by 1,169

MetaboAnalyst 2.0--a comprehensive server for metabolomic data analysis

Xia, J., Mandal, R., Sinelnikov, I. V., Broadhurst, D., & Wishart, D. S. (2012) · Nucleic Acids Research · doi:10.1093/nar/gks374 · Cited by 1,150

Mechanistic investigation of ionization suppression in electrospray ionization

King, R., Bonfiglio, R., Fernandez-Metzler, C., Miller-Stein, C., & Olah, T. (2000) · Journal of the American Society for Mass Spectrometry · doi:10.1016/s1044-0305(00)00163-x · Cited by 1,086

Rapid and noninvasive diagnosis of the presence and severity of coronary heart disease using 1H-NMR-based metabonomics

Brindle, J. T., Antti, H., Holmes, E., Tranter, G., Nicholson, J. K., Bethell, H. W. L., Clarke, S., Schofield, P. M., McKilligin, E., Mosedale, D. E., et al. (2002) · Nature Medicine · doi:10.1038/nm1202-802 · Cited by 1,029

Quantitative Analysis of Urine Vapor and Breath by Gas-Liquid Partition Chromatography

Pauling, L., Robinson, A. B., Teranishi, R., & Cary, P. (1971) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.68.10.2374 · Cited by 1,025

A functional genomics strategy that uses metabolome data to reveal the phenotype of silent mutations

Raamsdonk, L. M., Teusink, B., Broadhurst, D., Zhang, N., Hayes, A., Walsh, M. C., Berden, J. A., Brindle, K. M., Kell, D. B., Rowland, J. J., et al. (2001) · Nature Biotechnology · doi:10.1038/83496 · Cited by 1,005

Capillary electrophoresis mass spectrometry-based saliva metabolomics identified oral, breast and pancreatic cancer-specific profiles

Sugimoto, M., Wong, D. T., Hirayama, A., Soga, T., & Tomita, M. (2010) · Metabolomics · doi:10.1007/s11306-009-0178-y · Cited by 993

The UK Biobank sample handling and storage protocol for the collection, processing and archiving of human blood and urine

Elliott, P., Peakman, T. C., & Biobank, O. B. O. U. (2008) · International Journal of Epidemiology · doi:10.1093/ije/dym276 · Cited by 991

Quantitative Metabolome Analysis Using Capillary Electrophoresis Mass Spectrometry

Soga, T., Ohashi, Y., Ueno, Y., Naraoka, H., Tomita, M., & Nishioka, T. (2003) · Journal of Proteome Research · doi:10.1021/pr034020m · Cited by 973

Global analyses of cellular lipidomes directly from crude extracts of biological samples by ESI mass spectrometry: a bridge to lipidomics

Han, X., & Gross, R. W. (2003) · Journal of Lipid Research · doi:10.1194/jlr.r300004-jlr200 · Cited by 914

Octadecylsilylated Porous Silica Rods as Separation Media for Reversed-Phase Liquid Chromatography

Minakuchi, H., Nakanishi, K., Soga, N., Ishizuka, N., & Tanaka, N. (1996) · Analytical Chemistry · doi:10.1021/ac960281m · Cited by 904

Ion spray interface for combined liquid chromatography/atmospheric pressure ionization mass spectrometry

Bruins, A. P., Covey, T. R., & Henion, J. D. (1987) · Analytical Chemistry · doi:10.1021/ac00149a003 · Cited by 879

Modern analytical techniques in metabolomics analysis

Zhang, A., Sun, H., Wang, P., Han, Y., & Wang, X. (2012) · The Analyst · doi:10.1039/c1an15605e · Cited by 877

Systems level studies of mammalian metabolomes: the roles of mass spectrometry and nuclear magnetic resonance spectroscopy

Dunn, W. B., Broadhurst, D. I., Atherton, H. J., Goodacre, R., & Griffin, J. L. (2011) · Chem. Soc. Rev. · doi:10.1039/b906712b · Cited by 860

Monolithic columns in high-performance liquid chromatography

Guiochon, G. (2007) · Journal of Chromatography A · doi:10.1016/j.chroma.2007.05.090 · Cited by 831

Statistical strategies for avoiding false discoveries in metabolomics and related experiments

Broadhurst, D. I., & Kell, D. B. (2007) · Metabolomics · doi:10.1007/s11306-006-0037-z · Cited by 817

Development of a Robust and Repeatable UPLC−MS Method for the Long-Term Metabolomic Study of Human Serum

Zelena, E., Dunn, W. B., Broadhurst, D., Francis-McIntyre, S., Carroll, K. M., Begley, P., O’Hagan, S., Knowles, J. D., Halsall, A., HUSERMET Consortium, et al. (2009) · Analytical Chemistry · doi:10.1021/ac8019366 · Cited by 811

High-performance zone electrophoresis

Mikkers, F. E. P., Everaerts, F. M., & Verheggen, T. P. E. M. (1979) · Journal of Chromatography A · doi:10.1016/0021-9673(75)85029-1 · Cited by 805

THE INCIDENCE OF ALKAPTONURIA : A STUDY IN CHEMICAL INDIVIDUALITY.

Garrod, A. (1902) · The Lancet · doi:10.1016/s0140-6736(01)41972-6 · Cited by 789

Constraining the metabolic genotype–phenotype relationship using a phylogeny of in silico methods

Lewis, N. E., Nagarajan, H., & Palsson, B. O. (2012) · Nature Reviews Microbiology · doi:10.1038/nrmicro2737 · Cited by 779

Metabolomics for Functional Genomics, Systems Biology, and Biotechnology

Saito, K., & Matsuda, F. (2010) · Annual Review of Plant Biology · doi:10.1146/annurev.arplant.043008.092035 · Cited by 744

In silico fragmentation for computer assisted identification of metabolite mass spectra

Wolf, S., Schmidt, S., Müller-Hannemann, M., & Neumann, S. (2010) · BMC Bioinformatics · doi:10.1186/1471-2105-11-148 · Cited by 698

Multiple High-Throughput Analyses Monitor the Response of E. coli to Perturbations

Ishii, N., Nakahigashi, K., Baba, T., Robert, M., Soga, T., Kanai, A., Hirasawa, T., Naba, M., Hirai, K., Hoque, A., et al. (2007) · Science · doi:10.1126/science.1132067 · Cited by 674

Petroleomics: Chemistry of the underworld

Marshall, A. G., & Rodgers, R. P. (2008) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0805069105 · Cited by 673

Metabolomic database annotations via query of elemental compositions: Mass accuracy is insufficient even at less than 1 ppm

Kind, T., & Fiehn, O. (2006) · BMC Bioinformatics · doi:10.1186/1471-2105-7-234 · Cited by 637

Use of Tandem Mass Spectrometry for Multianalyte Screening of Dried Blood Specimens from Newborns

Chace, D. H., Kalas, T. A., & Naylor, E. W. (2003) · Clinical Chemistry · doi:10.1373/clinchem.2003.022178 · Cited by 621

Metabolomic Analysis and Visualization Engine for LC−MS Data

Melamud, E., Vastag, L., & Rabinowitz, J. D. (2010) · Analytical Chemistry · doi:10.1021/ac1021166 · Cited by 619

The scent of disease: volatile organic compounds of the human body related to disease and disorder

Shirasu, M., & Touhara, K. (2011) · Journal of Biochemistry · doi:10.1093/jb/mvr090 · Cited by 619

Solid‐phase microextraction: a powerful sample preparation tool prior to mass spectrometric analysis

Vas, G., & Vékey, K. (2004) · Journal of Mass Spectrometry · doi:10.1002/jms.606 · Cited by 615

Identification of Uncommon Plant Metabolites Based on Calculation of Elemental Compositions Using Gas Chromatography and Quadrupole Mass Spectrometry

Fiehn, O., Kopka, J., Trethewey, R. N., & Willmitzer, L. (2000) · Analytical Chemistry · doi:10.1021/ac991142i · Cited by 591

Ultrahigh-Pressure Reversed-Phase Liquid Chromatography in Packed Capillary Columns

MacNair, J. E., Lewis, K. C., & Jorgenson, J. W. (1997) · Analytical Chemistry · doi:10.1021/ac961094r · Cited by 584

The human circadian metabolome

Dallmann, R., Viola, A. U., Tarokh, L., Cajochen, C., & Brown, S. A. (2012) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1114410109 · Cited by 566

A pragmatic and readily implemented quality control strategy for HPLC-MS and GC-MS-based metabonomic analysis

Sangster, T., Major, H., Plumb, R., Wilson, A. J., & Wilson, I. D. (2006) · The Analyst · doi:10.1039/b604498k · Cited by 564

Solvent-Dependent Metabolite Distribution, Clustering, and Protein Extraction for Serum Profiling with Mass Spectrometry

Want, E. J., O'Maille, G., Smith, C. A., Brandon, T. R., Uritboonthai, W., Qin, C., Trauger, S. A., & Siuzdak, G. (2006) · Analytical Chemistry · doi:10.1021/ac051312t · Cited by 564

Metabolic Footprint of Diabetes: A Multiplatform Metabolomics Study in an Epidemiological Setting

Suhre, K., Meisinger, C., Döring, A., Altmaier, E., Belcredi, P., Gieger, C., Chang, D., Milburn, M. V., Gall, W. E., Weinberger, K. M., et al. (2010) · PLoS ONE · doi:10.1371/journal.pone.0013953 · Cited by 556

Understanding the role of gut microbiome–host metabolic signal disruption in health and disease

Holmes, E., Li, J. V., Athanasiou, T., Ashrafian, H., & Nicholson, J. K. (2011) · Trends in Microbiology · doi:10.1016/j.tim.2011.05.006 · Cited by 541

Metabolic fate of polyphenols in the human superorganism

van Duynhoven, J., Vaughan, E. E., Jacobs, D. M., A. Kemperman, R., van Velzen, E. J. J., Gross, G., Roger, L. C., Possemiers, S., Smilde, A. K., Doré, J., et al. (2011) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1000098107 · Cited by 540

Improved electrospray ionization interface for capillary zone electrophoresis-mass spectrometry

Smith, R. D., Barinaga, C. J., & Udseth, H. R. (1988) · Analytical Chemistry · doi:10.1021/ac00169a022 · Cited by 535

Current trends and challenges in sample preparation for global metabolomics using liquid chromatography–mass spectrometry

Vuckovic, D. (2012) · Analytical and Bioanalytical Chemistry · doi:10.1007/s00216-012-6039-y · Cited by 532

Amino Acid Analysis by Capillary Electrophoresis Electrospray Ionization Mass Spectrometry

Soga, T., & Heiger, D. N. (2000) · Analytical Chemistry · doi:10.1021/ac990976y · Cited by 519

Liquid chromatography–mass spectrometry based global metabolite profiling: A review

Theodoridis, G. A., Gika, H. G., Want, E. J., & Wilson, I. D. (2012) · Analytica Chimica Acta · doi:10.1016/j.aca.2011.09.042 · Cited by 518

A Novel Approach for Nontargeted Data Analysis for Metabolomics. Large-Scale Profiling of Tomato Fruit Volatiles

Tikunov, Y., Lommen, A., de Vos, C. H. R., Verhoeven, H. A., Bino, R. J., Hall, R. D., & Bovy, A. G. (2005) · Plant Physiology · doi:10.1104/pp.105.068130 · Cited by 513

Ion Exchange Chromatography of Amino Acids. A Single Column, High Resolving, Fully Automatic Procedure.

Hamilton, P. B. (1963) · Analytical Chemistry · doi:10.1021/ac60206a024 · Cited by 509

Design of experiments: an efficient strategy to identify factors influencing extraction and derivatization of Arabidopsis thaliana samples in metabolomic studies with gas chromatography/mass spectrometry

Gullberg, J., Jonsson, P., Nordström, A., Sjöström, M., & Moritz, T. (2004) · Analytical Biochemistry · doi:10.1016/j.ab.2004.04.037 · Cited by 503

Metabolomic Analysis via Reversed-Phase Ion-Pairing Liquid Chromatography Coupled to a Stand Alone Orbitrap Mass Spectrometer

Lu, W., Clasquin, M. F., Melamud, E., Amador-Noguez, D., Caudy, A. A., & Rabinowitz, J. D. (2010) · Analytical Chemistry · doi:10.1021/ac902837x · Cited by 502

Monolithic silica columns for high-efficiency chromatographic separations

Tanaka, N., Kobayashi, H., Ishizuka, N., Minakuchi, H., Nakanishi, K., Hosoya, K., & Ikegami, T. (2002) · Journal of Chromatography A · doi:10.1016/s0021-9673(01)01582-5 · Cited by 497

Diagnostic Accuracy of Canine Scent Detection in Early- and Late-Stage Lung and Breast Cancers

McCulloch, M., Jezierski, T., Broffman, M., Hubbard, A., Turner, K., & Janecki, T. (2006) · Integrative Cancer Therapies · doi:10.1177/1534735405285096 · Cited by 493

Bias as a threat to the validity of cancer molecular-marker research

Ransohoff, D. F. (2005) · Nature Reviews Cancer · doi:10.1038/nrc1550 · Cited by 487

Mass Spectrometry Strategies in Metabolomics

Lei, Z., Huhman, D. V., & Sumner, L. W. (2011) · Journal of Biological Chemistry · doi:10.1074/jbc.r111.238691 · Cited by 481

Analytical strategies for LC–MS-based targeted metabolomics

Lu, W., Bennett, B. D., & Rabinowitz, J. D. (2008) · Journal of Chromatography B · doi:10.1016/j.jchromb.2008.04.031 · Cited by 481

Advances in structure elucidation of small molecules using mass spectrometry

Kind, T., & Fiehn, O. (2010) · Bioanalytical Reviews · doi:10.1007/s12566-010-0015-9 · Cited by 480

Simultaneous Determination of Anionic Intermediates for Bacillus subtilis Metabolic Pathways by Capillary Electrophoresis Electrospray Ionization Mass Spectrometry

Soga, T., Ueno, Y., Naraoka, H., Ohashi, Y., Tomita, M., & Nishioka, T. (2002) · Analytical Chemistry · doi:10.1021/ac020064n · Cited by 472

Analysis of Highly Polar Compounds of Plant Origin: Combination of Hydrophilic Interaction Chromatography and Electrospray Ion Trap Mass Spectrometry

Tolstikov, V. V., & Fiehn, O. (2002) · Analytical Biochemistry · doi:10.1006/abio.2001.5513 · Cited by 472

Analytical platform for metabolome analysis of microbial cells using methyl chloroformate derivatization followed by gas chromatography–mass spectrometry

Smart, K. F., Aggio, R. B. M., Van Houtte, J. R., & Villas-Bôas, S. G. (2010) · Nature Protocols · doi:10.1038/nprot.2010.108 · Cited by 456

A comprehensive urinary metabolomic approach for identifying kidney cancer

Kind, T., Tolstikov, V., Fiehn, O., & Weiss, R. H. (2007) · Analytical Biochemistry · doi:10.1016/j.ab.2007.01.028 · Cited by 449

HPLC-MS-based methods for the study of metabonomics

WILSON, I., PLUMB, R., GRANGER, J., MAJOR, H., WILLIAMS, R., & LENZ, E. (2005) · Journal of Chromatography B · doi:10.1016/j.jchromb.2004.07.045 · Cited by 447

A study of ion suppression effects in electrospray ionization from mobile phase additives and solid‐phase extracts

Mallet, C. R., Lu, Z., & Mazzeo, J. R. (2004) · Rapid Communications in Mass Spectrometry · doi:10.1002/rcm.1276 · Cited by 441

Nontargeted Metabolome Analysis by Use of Fourier Transform Ion Cyclotron Mass Spectrometry

Aharoni, A., Ric de Vos, C. H., Verhoeven, H. A., Maliepaard, C. A., Kruppa, G., Bino, R., & Goodenowe, D. B. (2002) · OMICS: A Journal of Integrative Biology · doi:10.1089/15362310260256882 · Cited by 428

The molecular mechanism of retention in reversed-phase liquid chromatography

Dorsey, J. G., & Dill, K. A. (1989) · Chemical Reviews · doi:10.1021/cr00092a005 · Cited by 428

Comprehensive two‐dimensional gas chromatography‐mass spectrometry: A review

Mondello, L., Tranchida, P. Q., Dugo, P., & Dugo, G. (2008) · Mass Spectrometry Reviews · doi:10.1002/mas.20158 · Cited by 423

High Resolution “Ultra Performance” Liquid Chromatography Coupled to oa-TOF Mass Spectrometry as a Tool for Differential Metabolic Pathway Profiling in Functional Genomic Studies

Wilson, I. D., Nicholson, J. K., Castro-Perez, J., Granger, J. H., Johnson, K. A., Smith, B. W., & Plumb, R. S. (2005) · Journal of Proteome Research · doi:10.1021/pr049769r · Cited by 420

THE PHENOLIC ACIDS OF HUMAN URINE

Armstrong, M. D., Shaw, K. N. F., & Wall, P. E. (1956) · Journal of Biological Chemistry · doi:10.1016/s0021-9258(18)65893-4 · Cited by 406

Immobilized Ionic Liquids as High-Selectivity/High-Temperature/High-Stability Gas Chromatography Stationary Phases

Anderson, J. L., & Armstrong, D. W. (2005) · Analytical Chemistry · doi:10.1021/ac051006f · Cited by 404

Effect of eluent on the ionization process in liquid chromatography–mass spectrometry

Kostiainen, R., & Kauppila, T. J. (2009) · Journal of Chromatography A · doi:10.1016/j.chroma.2008.08.095 · Cited by 402

Quantitative structure–(chromatographic) retention relationships

Héberger, K. (2007) · Journal of Chromatography A · doi:10.1016/j.chroma.2007.03.108 · Cited by 398

Foodomics: MS‐based strategies in modern food science and nutrition

Herrero, M., Simó, C., García‐Cañas, V., Ibáñez, E., & Cifuentes, A. (2012) · Mass Spectrometry Reviews · doi:10.1002/mas.20335 · Cited by 396

Differential 12C-/13C-Isotope Dansylation Labeling and Fast Liquid Chromatography/Mass Spectrometry for Absolute and Relative Quantification of the Metabolome

Guo, K., & Li, L. (2009) · Analytical Chemistry · doi:10.1021/ac900166a · Cited by 396

Individual and gender fingerprints in human body odour

Penn, D. J., Oberzaucher, E., Grammer, K., Fischer, G., Soini, H. A., Wiesler, D., Novotny, M. V., Dixon, S. J., Xu, Y., & Brereton, R. G. (2007) · Journal of The Royal Society Interface · doi:10.1098/rsif.2006.0182 · Cited by 396

Effect of Slow Growth on Metabolism of Escherichia coli , as Revealed by Global Metabolite Pool (“Metabolome”) Analysis

Tweeddale, H., Notley-McRobb, L., & Ferenci, T. (1998) · Journal of Bacteriology · doi:10.1128/jb.180.19.5109-5116.1998 · Cited by 393

Two-dimensional gel electrophoresis in proteomics: Past, present and future

Rabilloud, T., Chevallet, M., Luche, S., & Lelong, C. (2010) · Journal of Proteomics · doi:10.1016/j.jprot.2010.05.016 · Cited by 385

Ultrahigh-Pressure Reversed-Phase Capillary Liquid Chromatography: Isocratic and Gradient Elution Using Columns Packed with 1.0-μm Particles

MacNair, J. E., Patel, K. D., & Jorgenson, J. W. (1999) · Analytical Chemistry · doi:10.1021/ac9807013 · Cited by 377

Metallomics: the concept and methodology

Mounicou, S., Szpunar, J., & Lobinski, R. (2009) · Chemical Society Reviews · doi:10.1039/b713633c · Cited by 368

Quantitative Evaluation of Intracellular Metabolite Extraction Techniques for Yeast Metabolomics

Canelas, A. B., ten Pierick, A., Ras, C., Seifar, R. M., van Dam, J. C., van Gulik, W. M., & Heijnen, J. J. (2009) · Analytical Chemistry · doi:10.1021/ac900999t · Cited by 360

Assessment of Analytical Reproducibility of 1H NMR Spectroscopy Based Metabonomics for Large-Scale Epidemiological Research: the INTERMAP Study

Dumas, M.-E., Maibaum, E. C., Teague, C., Ueshima, H., Zhou, B., Lindon, J. C., Nicholson, J. K., Stamler, J., Elliott, P., Chan, Q., et al. (2006) · Analytical Chemistry · doi:10.1021/ac0517085 · Cited by 346

Toward Global Metabolomics Analysis with Hydrophilic Interaction Liquid Chromatography–Mass Spectrometry: Improved Metabolite Identification by Retention Time Prediction

Creek, D. J., Jankevics, A., Breitling, R., Watson, D. G., Barrett, M. P., & Burgess, K. E. V. (2011) · Analytical Chemistry · doi:10.1021/ac2021823 · Cited by 344

Mass Spectral Reference Libraries: An Ever-Expanding Resource for Chemical Identification

Stein, S. (2012) · Analytical Chemistry · doi:10.1021/ac301205z · Cited by 343

Recommendations for Reporting Metabolite Data

Fernie, A. R., Aharoni, A., Willmitzer, L., Stitt, M., Tohge, T., Kopka, J., Carroll, A. J., Saito, K., Fraser, P. D., & DeLuca, V. (2011) · The Plant Cell · doi:10.1105/tpc.111.086272 · Cited by 338

The hydrophobic-subtraction model of reversed-phase column selectivity

SNYDER, L., DOLAN, J., & CARR, P. (2004) · Journal of Chromatography A · doi:10.1016/s0021-9673(04)01480-3 · Cited by 338

IDEOM: an Excel interface for analysis of LC–MS-based metabolomics data

Creek, D. J., Jankevics, A., Burgess, K. E. V., Breitling, R., & Barrett, M. P. (2012) · Bioinformatics · doi:10.1093/bioinformatics/bts069 · Cited by 337

Metabolomic Profiling of Anionic Metabolites by Capillary Electrophoresis Mass Spectrometry

Soga, T., Igarashi, K., Ito, C., Mizobuchi, K., Zimmermann, H.-P., & Tomita, M. (2009) · Analytical Chemistry · doi:10.1021/ac900675k · Cited by 331

Use of a Mass Spectrometer as a Detector and Analyzer for Effluent Emerging from High Temperature Gas Liquid Chromatography Columns.

Ryhage, R. (1964) · Analytical Chemistry · doi:10.1021/ac60210a019 · Cited by 329

The dynamic range of the human metabolome revealed by challenges

Krug, S., Kastenmüller, G., Stückler, F., Rist, M. J., Skurk, T., Sailer, M., Raffler, J., Römisch‐Margl, W., Adamski, J., Prehn, C., et al. (2012) · The FASEB Journal · doi:10.1096/fj.11-198093 · Cited by 327

Cross-Platform Comparison of Methods for Quantitative Metabolomics of Primary Metabolism

Büscher, J. M., Czernik, D., Ewald, J. C., Sauer, U., & Zamboni, N. (2009) · Analytical Chemistry · doi:10.1021/ac8022857 · Cited by 323

An NMR‐based metabonomic approach to investigate the biochemical consequences of genetic strain differences: application to the C57BL10J and Alpk:ApfCD mouse

Gavaghan, C. L., Holmes, E., Lenz, E., Wilson, I. D., & Nicholson, J. K. (2000) · FEBS Letters · doi:10.1016/s0014-5793(00)02147-5 · Cited by 321

A continuous-flow sample probe for fast atom bombardment mass spectrometry

Caprioli, R. M., Fan, T., & Cottrell, J. S. (1986) · Analytical Chemistry · doi:10.1021/ac00127a012 · Cited by 320

Microbial Metabolomics with Gas Chromatography/Mass Spectrometry

Koek, M. M., Muilwijk, B., van der Werf, M. J., & Hankemeier, T. (2006) · Analytical Chemistry · doi:10.1021/ac051683+ · Cited by 316

Challenges and opportunities of metabolomics

Johnson, C. H., & Gonzalez, F. J. (2012) · Journal of Cellular Physiology · doi:10.1002/jcp.24002 · Cited by 311

bioinformatics tools for mass spectroscopy-based metabolomic data processing and analysis

Sugimoto, M., Kawakami, M., Robert, M., Soga, T., & Tomita, M. (2012) · Current Bioinformatics · doi:10.2174/157489312799304431 · Cited by 307

Improved methods for the acquisition and interpretation of NMR metabolomic data

Viant, M. R. (2003) · Biochemical and Biophysical Research Communications · doi:10.1016/j.bbrc.2003.09.092 · Cited by 303

The hydrophobic-subtraction model of reversed-phase column selectivity

Snyder, L. R., Dolan, J. W., & Carr, P. W. (2004) · Journal of Chromatography A · doi:10.1016/j.chroma.2004.08.121 · Cited by 298

Metabolomics: from pattern recognition to biological interpretation

Weckwerth, W., & Morgenthal, K. (2005) · Drug Discovery Today · doi:10.1016/s1359-6446(05)03609-3 · Cited by 298

Use of high-resolution proton nuclear magnetic resonance spectroscopy for rapid multi-component analysis of urine.

Bales, J. R., Higham, D. P., Howe, I., Nicholson, J. K., & Sadler, P. J. (1984) · Clinical Chemistry · doi:10.1093/clinchem/30.3.426 · Cited by 296

Construction and application of a mass spectral and retention time index database generated from plant GC/EI-TOF-MS metabolite profiles

Wagner, C., Sefkow, M., & Kopka, J. (2003) · Phytochemistry · doi:10.1016/s0031-9422(02)00703-3 · Cited by 291

Depiction of metabolome changes in histidine-starved Escherichia coli by CE-TOFMS

Ohashi, Y., Hirayama, A., Ishikawa, T., Nakamura, S., Shimizu, K., Ueno, Y., Tomita, M., & Soga, T. (2007) · Molecular BioSystems · doi:10.1039/b714176a · Cited by 290

Quantitative Reconstruction of the Nonvolatile Sensometabolome of a Red Wine

Hufnagel, J. C., & Hofmann, T. (2008) · Journal of Agricultural and Food Chemistry · doi:10.1021/jf801742w · Cited by 286

Advances in metabolite identification

Wishart, D. S. (2011) · Bioanalysis · doi:10.4155/bio.11.155 · Cited by 284

Time-of-Flight Mass Spectrometry and Gas-Liquid Partition Chromatography

Gohlke, R. S. (1959) · Analytical Chemistry · doi:10.1021/ac50164a024 · Cited by 284

Expanding Coverage of the Metabolome for Global Metabolite Profiling

Yanes, O., Tautenhahn, R., Patti, G. J., & Siuzdak, G. (2011) · Analytical Chemistry · doi:10.1021/ac102981k · Cited by 274

Gas chromatography–olfactometry in food flavour analysis

d’Acampora Zellner, B., Dugo, P., Dugo, G., & Mondello, L. (2008) · Journal of Chromatography A · doi:10.1016/j.chroma.2007.09.006 · Cited by 269

Getting Closer to the Whole Picture

Sauer, U., Heinemann, M., & Zamboni, N. (2007) · Science · doi:10.1126/science.1142502 · Cited by 268

Global urinary metabolic profiling procedures using gas chromatography–mass spectrometry

Chan, E. C. Y., Pasikanti, K. K., & Nicholson, J. K. (2011) · Nature Protocols · doi:10.1038/nprot.2011.375 · Cited by 261

Metabolite profiling and quantification of phenolic compounds in methanol extracts of tomato fruit

Gómez-Romero, M., Segura-Carretero, A., & Fernández-Gutiérrez, A. (2010) · Phytochemistry · doi:10.1016/j.phytochem.2010.08.002 · Cited by 260

Nutritional Metabolomics: Progress in Addressing Complexity in Diet and Health

Jones, D. P., Park, Y., & Ziegler, T. R. (2012) · Annual Review of Nutrition · doi:10.1146/annurev-nutr-072610-145159 · Cited by 257

Metabolite extraction from suspension-cultured mammalian cells for global metabolite profiling

Sellick, C. A., Hansen, R., Stephens, G. M., Goodacre, R., & Dickson, A. J. (2011) · Nature Protocols · doi:10.1038/nprot.2011.366 · Cited by 256

High resolution 1H n.m.r. studies of vertebrate blood and plasma

Nicholson, J. K., Buckingham, M. J., & Sadler, P. J. (1983) · Biochemical Journal · doi:10.1042/bj2110605 · Cited by 255

Metabonomics: Evaluation of Nuclear Magnetic Resonance (NMR) and Pattern Recognition Technology for Rapid in Vivo Screening of Liver and Kidney Toxicants

Robertson, D. G. (2000) · Toxicological Sciences · doi:10.1093/toxsci/57.2.326 · Cited by 255

Standardizing GC–MS metabolomics

Kanani, H., Chrysanthopoulos, P. K., & Klapa, M. I. (2008) · Journal of Chromatography B · doi:10.1016/j.jchromb.2008.04.049 · Cited by 252

Fast liquid chromatography: The domination of core?shell and very fine particles

Fekete, S., Olh, E., & Fekete, J. (2012) · Journal of Chromatography A · doi:10.1016/j.chroma.2011.09.050 · Cited by 251

Analytical Reproducibility in 1H NMR-Based Metabonomic Urinalysis

Keun, H. C., Ebbels, T. M. D., Antti, H., Bollard, M. E., Beckonert, O., Schlotterbeck, G., Senn, H., Niederhauser, U., Holmes, E., Lindon, J. C., et al. (2002) · Chemical Research in Toxicology · doi:10.1021/tx0255774 · Cited by 247

Simultaneous Quantitative Analysis of Metabolites Using Ion-Pair Liquid Chromatography−Electrospray Ionization Mass Spectrometry

Coulier, L., Bas, R., Jespersen, S., Verheij, E., van der Werf, M. J., & Hankemeier, T. (2006) · Analytical Chemistry · doi:10.1021/ac0607616 · Cited by 242

Rotting smell of dead-horse arum florets

Stensmyr, M. C., Urru, I., Collu, I., Celander, M., Hansson, B. S., & Angioy, A.-M. (2002) · Nature · doi:10.1038/420625a · Cited by 242

Extracellular Redox State: Refining the Definition of Oxidative Stress in Aging

Jones, D. P. (2006) · Rejuvenation Research · doi:10.1089/rej.2006.9.169 · Cited by 241

Stationary phases for hydrophilic interaction chromatography, their characterization and implementation into multidimensional chromatography concepts

Jandera, P. (2008) · Journal of Separation Science · doi:10.1002/jssc.200800051 · Cited by 241

Investigation of urinary volatile organic metabolites as potential cancer biomarkers by solid-phase microextraction in combination with gas chromatography-mass spectrometry

Silva, C. L., Passos, M., & Câmara, J. S. (2011) · British Journal of Cancer · doi:10.1038/bjc.2011.437 · Cited by 240

The next wave in metabolome analysis

Nielsen, J., & Oliver, S. (2005) · Trends in Biotechnology · doi:10.1016/j.tibtech.2005.08.005 · Cited by 240

Extending the breadth of metabolite profiling by gas chromatography coupled to mass spectrometry

Fiehn, O. (2008) · TrAC Trends in Analytical Chemistry · doi:10.1016/j.trac.2008.01.007 · Cited by 240

Artifacts in trimethylsilyl derivatization reactions and ways to avoid them

Little, J. L. (1999) · Journal of Chromatography A · doi:10.1016/s0021-9673(99)00267-8 · Cited by 239

Metabolomics of a superorganism

Goodacre, R. (2006) · Research Explorer (The University of Manchester) · Cited by 237

Prediction of breast cancer using volatile biomarkers in the breath

Phillips, M., Cataneo, R. N., Ditkoff, B. A., Fisher, P., Greenberg, J., Gunawardena, R., Kwon, C. S., Tietje, O., & Wong, C. (2006) · Breast Cancer Research and Treatment · doi:10.1007/s10549-006-9176-1 · Cited by 235

Free-zone electrophoresis in glass capillaries.

Jorgenson, J. W., & Lukacs, K. D. (1981) · Clinical Chemistry · doi:10.1093/clinchem/27.9.1551 · Cited by 234

Serum metabolomics reveals γ-glutamyl dipeptides as biomarkers for discrimination among different forms of liver disease

Soga, T., Sugimoto, M., Honma, M., Mori, M., Igarashi, K., Kashikura, K., Ikeda, S., Hirayama, A., Yamamoto, T., Yoshida, H., et al. (2011) · Journal of Hepatology · doi:10.1016/j.jhep.2011.01.031 · Cited by 234

High-temperature liquid chromatography

Greibrokk, T., & Andersen, T. (2003) · Journal of Chromatography A · doi:10.1016/s0021-9673(02)01963-5 · Cited by 231

Evaluation of the repeatability of ultra-performance liquid chromatography–TOF-MS for global metabolic profiling of human urine samples

Gika, H. G., Macpherson, E., Theodoridis, G. A., & Wilson, I. D. (2008) · Journal of Chromatography B · doi:10.1016/j.jchromb.2008.05.048 · Cited by 231

Ionic liquid stationary phases for gas chromatography

Poole, C. F., & Poole, S. K. (2011) · Journal of Separation Science · doi:10.1002/jssc.201000724 · Cited by 228

Current and emerging mass-spectrometry technologies for metabolomics

Bedair, M., & Sumner, L. W. (2008) · TrAC Trends in Analytical Chemistry · doi:10.1016/j.trac.2008.01.006 · Cited by 225

Metabolomics of a Superorganism

Goodacre, R. (2007) · The Journal of Nutrition · doi:10.1093/jn/137.1.259s · Cited by 225

Missing values in mass spectrometry based metabolomics: an undervalued step in the data processing pipeline

Hrydziuszko, O., & Viant, M. R. (2012) · Metabolomics · doi:10.1007/s11306-011-0366-4 · Cited by 224

Metabonomics: the use of electrospray mass spectrometry coupled to reversed‐phase liquid chromatography shows potential for the screening of rat urine in drug development

Plumb, R. S., Stumpf, C. L., Gorenstein, M. V., Castro‐Perez, J. M., Dear, G. J., Anthony, M., Sweatman, B. C., Connor, S. C., & Haselden, J. N. (2002) · Rapid Communications in Mass Spectrometry · doi:10.1002/rcm.813 · Cited by 216

Peptidomics: Identification and quantification of endogenous peptides in neuroendocrine tissues

Fricker, L. D., Lim, J., Pan, H., & Che, F. (2006) · Mass Spectrometry Reviews · doi:10.1002/mas.20079 · Cited by 212

Dechlorane Plus Levels in Sediment of the Lower Great Lakes

Sverko, E., Tomy, G. T., Marvin, C. H., Zaruk, D., Reiner, E., Helm, P. A., Hill, B., & McCarry, B. E. (2008) · Environmental Science & Technology · doi:10.1021/es0710104 · Cited by 211

Multiple Ionization Mass Spectrometry Strategy Used To Reveal the Complexity of Metabolomics

Nordström, A., Want, E., Northen, T., Lehtiö, J., & Siuzdak, G. (2008) · Analytical Chemistry · doi:10.1021/ac701982e · Cited by 211

Site and Strain-Specific Variation in Gut Microbiota Profiles and Metabolism in Experimental Mice

Friswell, M. K., Gika, H., Stratford, I. J., Theodoridis, G., Telfer, B., Wilson, I. D., & McBain, A. J. (2010) · PLoS ONE · doi:10.1371/journal.pone.0008584 · Cited by 207

Measurement of Dissociation Constants (pKa Values) of Organic Compounds by Multiplexed Capillary Electrophoresis Using Aqueous and Cosolvent Buffers**Advanced Analytical Technologies, Inc. (Formerly CombiSep), 2711 South Loop Drive, Suite 4200, Ames, IA 50010.

Shalaeva, M., Kenseth, J., Lombardo, F., & Bastin, A. (2008) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.21287 · Cited by 205

Hydrophilic interaction chromatography coupled to MS for metabonomic/metabolomic studies

Spagou, K., Tsoukali, H., Raikos, N., Gika, H., Wilson, I. D., & Theodoridis, G. (2010) · Journal of Separation Science · doi:10.1002/jssc.200900803 · Cited by 202

Data-processing strategies for metabolomics studies

Hendriks, M. M. W. B., Eeuwijk, F. A. V., Jellema, R. H., Westerhuis, J. A., Reijmers, T. H., Hoefsloot, H. C. J., & Smilde, A. K. (2011) · TrAC Trends in Analytical Chemistry · doi:10.1016/j.trac.2011.04.019 · Cited by 200

Dealing with the unknown: Metabolomics and Metabolite Atlases

Bowen, B. P., & Northen, T. R. (2010) · Journal of the American Society for Mass Spectrometry · doi:10.1016/j.jasms.2010.04.003 · Cited by 198

Twenty years of interface development for capillary electrophoresis–electrospray ionization–mass spectrometry

Maxwell, E. J., & Chen, D. D. Y. (2008) · Analytica Chimica Acta · doi:10.1016/j.aca.2008.06.034 · Cited by 197

Flame Ionization Detector for Gas Chromatography

McWILLIAM, I. G., & DEWAR, R. A. (1958) · Nature · doi:10.1038/181760a0 · Cited by 196

Liquid chromatography and ultra-performance liquid chromatography–mass spectrometry fingerprinting of human urine

Gika, H. G., Theodoridis, G. A., & Wilson, I. D. (2008) · Journal of Chromatography A · doi:10.1016/j.chroma.2007.10.066 · Cited by 195

Recent advances in applications of single-drop microextraction: A review

Jain, A., & Verma, K. K. (2011) · Analytica Chimica Acta · doi:10.1016/j.aca.2011.08.022 · Cited by 194

Meta-analysis of untargeted metabolomic data from multiple profiling experiments

Patti, G. J., Tautenhahn, R., & Siuzdak, G. (2012) · Nature Protocols · doi:10.1038/nprot.2011.454 · Cited by 191

Evaluation of Coupling Reversed Phase, Aqueous Normal Phase, and Hydrophilic Interaction Liquid Chromatography with Orbitrap Mass Spectrometry for Metabolomic Studies of Human Urine

Zhang, T., Creek, D. J., Barrett, M. P., Blackburn, G., & Watson, D. G. (2012) · Analytical Chemistry · doi:10.1021/ac2030738 · Cited by 190

Development and Performance of a Gas Chromatography−Time-of-Flight Mass Spectrometry Analysis for Large-Scale Nontargeted Metabolomic Studies of Human Serum

Begley, P., Francis-McIntyre, S., Dunn, W. B., Broadhurst, D. I., Halsall, A., Tseng, A., Knowles, J., HUSERMET Consortium, Goodacre, R., & Kell, D. B. (2009) · Analytical Chemistry · doi:10.1021/ac9011599 · Cited by 189

Affinity capillary electrophoresis: A physical‐organic tool for studying interactions in biomolecular recognition

Colton, I. J., Carbeck, J. D., Rao, J., & Whitesides, G. M. (1998) · ELECTROPHORESIS · doi:10.1002/elps.1150190303 · Cited by 189

Metabolic profiling of serum using Ultra Performance Liquid Chromatography and the LTQ-Orbitrap mass spectrometry system

Dunn, W. B., Broadhurst, D., Brown, M., Baker, P. N., Redman, C. W. G., Kenny, L. C., & Kell, D. B. (2008) · Journal of Chromatography B · doi:10.1016/j.jchromb.2008.03.021 · Cited by 188

The failure of protein cancer biomarkers to reach the clinic: why, and what can be done to address the problem?

Diamandis, E. P. (2012) · BMC Medicine · doi:10.1186/1741-7015-10-87 · Cited by 185

Metabolomic applications of HILIC–LC–MS

Cubbon, S., Antonio, C., Wilson, J., & Thomas‐Oates, J. (2010) · Mass Spectrometry Reviews · doi:10.1002/mas.20252 · Cited by 184

Use of phenylalanine-to-tyrosine ratio determined by tandem mass spectrometry to improve newborn screening for phenylketonuria of early discharge specimens collected in the first 24 hours

Chace, D. H., Sherwin, J. E., Hillman, S. L., Lorey, F., & Cunningham, G. C. (1998) · Clinical Chemistry · doi:10.1093/clinchem/44.12.2405 · Cited by 182

Simul 5 – Free dynamic simulator of electrophoresis

Hruška, V., Jaroš, M., & Gaš, B. (2006) · ELECTROPHORESIS · doi:10.1002/elps.200500756 · Cited by 182

High-Resolution Mass Spectra of Compounds Emerging from a Gas Chromatograph.

Watson, J. T., & Biemann, K. (1964) · Analytical Chemistry · doi:10.1021/ac60212a001 · Cited by 179

Use of 1.5-μm Porous Ethyl-Bridged Hybrid Particles as a Stationary-Phase Support for Reversed-Phase Ultrahigh-Pressure Liquid Chromatography

Mellors, J. S., & Jorgenson, J. W. (2004) · Analytical Chemistry · doi:10.1021/ac049643d · Cited by 177

Human metabolic profiles are stably controlled by genetic and environmental variation

Nicholson, G., Rantalainen, M., Maher, A. D., Li, J. V., Malmodin, D., Ahmadi, K. R., Faber, J. H., Hallgrímsdóttir, I. B., Barrett, A., Toft, H., et al. (2011) · Molecular Systems Biology · doi:10.1038/msb.2011.57 · Cited by 176

Computational mass spectrometry for metabolomics: Identification of metabolites and small molecules

Neumann, S., & Böcker, S. (2010) · Analytical and Bioanalytical Chemistry · doi:10.1007/s00216-010-4142-5 · Cited by 175

Metabolomics-Based Systems Biology and Personalized Medicine: Moving Towards n = 1 Clinical Trials?

van der Greef, J., Hankemeier, T., & McBurney, R. N. (2006) · Pharmacogenomics · doi:10.2217/14622416.7.7.1087 · Cited by 175

Investigations into Biochemical Changes Due to Diurnal Variation and Estrus Cycle in Female Rats Using High-Resolution 1H NMR Spectroscopy of Urine and Pattern Recognition

Bollard, M. E., Holmes, E., Lindon, J. C., Mitchell, S. C., Branstetter, D., Zhang, W., & Nicholson, J. K. (2001) · Analytical Biochemistry · doi:10.1006/abio.2001.5211 · Cited by 175

Enhancement of the LC/MS Analysis of Fatty Acids through Derivatization and Stable Isotope Coding

Yang, W.-C., Adamec, J., & Regnier, F. E. (2007) · Analytical Chemistry · doi:10.1021/ac070311t · Cited by 174

Human Metabolic Profiles Obtained by GC and GC/MS

Horning, E. C., & Horning, M. G. (1971) · Journal of Chromatographic Science · doi:10.1093/chromsci/9.3.129 · Cited by 174

Data Analysis Tool for Comprehensive Two-Dimensional Gas Chromatography/Time-of-Flight Mass Spectrometry

Castillo, S., Mattila, I., Miettinen, J., Orešič, M., & Hyötyläinen, T. (2011) · Analytical Chemistry · doi:10.1021/ac103308x · Cited by 174

Optimization and Evaluation of Metabolite Extraction Protocols for Untargeted Metabolic Profiling of Liver Samples by UPLC-MS

Masson, P., Alves, A. C., Ebbels, T. M. D., Nicholson, J. K., & Want, E. J. (2010) · Analytical Chemistry · doi:10.1021/ac101722e · Cited by 173

Schizophrenia shows a unique metabolomics signature in plasma

He, Y., Yu, Z., Giegling, I., Xie, L., Hartmann, A. M., Prehn, C., Adamski, J., Kahn, R., Li, Y., Illig, T., et al. (2012) · Translational Psychiatry · doi:10.1038/tp.2012.76 · Cited by 171

Can we discover novel pathways using metabolomic analysis?

Weckwerth, W., & Fiehn, O. (2002) · Current Opinion in Biotechnology · doi:10.1016/s0958-1669(02)00299-9 · Cited by 170

Metabolomics Identifies Perturbations in Human Disorders of Propionate Metabolism

Wikoff, W. R., Gangoiti, J. A., Barshop, B. A., & Siuzdak, G. (2007) · Clinical Chemistry · doi:10.1373/clinchem.2007.089011 · Cited by 170

Metabolomics: an emerging but powerful tool for precision medicine

Clish, C. B. (2015) · Molecular Case Studies · doi:10.1101/mcs.a000588 · Cited by 708

Metabolite Measurement: Pitfalls to Avoid and Practices to Follow

Lu, W., Su, X., Klein, M. S., Lewis, I. A., Fiehn, O., & Rabinowitz, J. D. (2017) · Annual Review of Biochemistry · doi:10.1146/annurev-biochem-061516-044952 · Cited by 462

Meta-Inflammation and Metabolic Reprogramming of Macrophages in Diabetes and Obesity: The Importance of Metabolites

Russo, S., Kwiatkowski, M., Govorukhina, N., Bischoff, R., & Melgert, B. N. (2021) · Frontiers in Immunology · doi:10.3389/fimmu.2021.746151 · Cited by 269

Steroid metabolomic disease signature of nonsyndromic childhood obesity

Gawlik, A., Shmoish, M., Hartmann, M. F., Malecka-Tendera, E., Wudy, S. A., & Hochberg, Z. (2016) · The Journal of Clinical Endocrinology & Metabolism · doi:10.1210/jc.2016-1754 · Cited by 36

Heterologous production of cyanobacterial compounds

Dhakal, D., Chen, M., Luesch, H., & Ding, Y. (2021) · Journal of Industrial Microbiology and Biotechnology · doi:10.1093/jimb/kuab003 · Cited by 33