Bioinformatics Tools for Mass Spectroscopy-Based Metabolomic Data Processing and Analysis
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Masaru Tomita | Martin Robert | Tomoyoshi Soga | Masahiro Sugimoto | M. Tomita | M. Sugimoto | T. Soga | M. Robert | M. Kawakami | Masato Kawakami
[1] I. Wilson,et al. Mass spectrometry-based holistic analytical approaches for metabolite profiling in systems biology studies. , 2011, Mass spectrometry reviews.
[2] K. Sworczak,et al. Urine metabolomics analysis for adrenal incidentaloma activity detection and biomarker discovery. , 2011, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[3] Douglas B. Kell,et al. Statistical strategies for avoiding false discoveries in metabolomics and related experiments , 2007, Metabolomics.
[4] Age K. Smilde,et al. UvA-DARE ( Digital Academic Repository ) Assessment of PLSDA cross validation , 2008 .
[5] N. Rothman,et al. Application of OMICS technologies in occupational and environmental health research; current status and projections , 2009, Occupational and Environmental Medicine.
[6] M. Tomita,et al. Metabolomic profiles and sensory attributes of edamame under various storage duration and temperature conditions. , 2010, Journal of agricultural and food chemistry.
[7] P. Turner,et al. Simulation of high- and low-resolution mass spectra for assessment of calibration methods. , 2007, Rapid communications in mass spectrometry : RCM.
[8] Asaph Aharoni,et al. Evaluation of peak picking quality in LC-MS metabolomics data. , 2010, Analytical chemistry.
[9] Michael P. Barrett,et al. MetExplore: a web server to link metabolomic experiments and genome-scale metabolic networks , 2010, Nucleic Acids Res..
[10] Joachim Selbig,et al. Decision tree supported substructure prediction of metabolites from GC-MS profiles , 2010, Metabolomics.
[11] H. Lehrach,et al. A calibration method that simplifies and improves accurate determination of peptide molecular masses by MALDI-TOF MS. , 2002, Analytical chemistry.
[12] Knut Reinert,et al. OpenMS – An open-source software framework for mass spectrometry , 2008, BMC Bioinformatics.
[13] Oliver Fiehn,et al. Mass-spectrometry-based metabolomics: limitations and recommendations for future progress with particular focus on nutrition research , 2009, Metabolomics.
[14] Dietmar Schomburg,et al. MetaboliteDetector: comprehensive analysis tool for targeted and nontargeted GC/MS based metabolome analysis. , 2009, Analytical chemistry.
[15] B. Warrack,et al. Normalization strategies for metabonomic analysis of urine samples. , 2009, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[16] T. Shaler,et al. Quantification of proteins and metabolites by mass spectrometry without isotopic labeling or spiked standards. , 2003, Analytical chemistry.
[17] Zengyou He,et al. Improving mass spectrometry peak detection using multiple peak alignment results. , 2008, Journal of proteome research.
[18] H. Keun,et al. Nuclear magnetic resonance (NMR)-based metabolomics. , 2011, Methods in molecular biology.
[19] Masaru Tomita,et al. Large-scale prediction of cationic metabolite identity and migration time in capillary electrophoresis mass spectrometry using artificial neural networks. , 2005, Analytical chemistry.
[20] Elaine Holmes,et al. Evaluation of full-resolution J-resolved 1H NMR projections of biofluids for metabonomics information retrieval and biomarker identification. , 2010, Analytical chemistry.
[21] Tom Fawcett,et al. An introduction to ROC analysis , 2006, Pattern Recognit. Lett..
[22] Egon L. Willighagen,et al. CDK-Taverna: an open workflow environment for cheminformatics , 2010, BMC Bioinformatics.
[23] Julian L Griffin,et al. High Resolution 1H NMR-based Metabolomics Indicates a Neurotransmitter Cycling Deficit in Cerebral Tissue from a Mouse Model of Batten Disease* , 2005, Journal of Biological Chemistry.
[24] Benjamin P Bowen,et al. Dealing with the unknown: Metabolomics and Metabolite Atlases , 2010, Journal of the American Society for Mass Spectrometry.
[25] Tomoyoshi Soga,et al. Metabolome analysis by capillary electrophoresis-mass spectrometry. , 2007, Journal of chromatography. A.
[26] Royston Goodacre,et al. Systems level studies of mammalian metabolomes: the roles of mass spectrometry and nuclear magnetic resonance spectroscopy. , 2011, Chemical Society reviews.
[27] Elaine Holmes,et al. Gut microbiome modulates the toxicity of hydrazine: a metabonomic study. , 2009, Molecular bioSystems.
[28] Takayuki Tohge,et al. Web-based resources for mass-spectrometry-based metabolomics: a user's guide. , 2009, Phytochemistry.
[29] Masaru Tomita,et al. MathDAMP: a package for differential analysis of metabolite profiles , 2006, BMC Bioinformatics.
[30] Pei Yee Ho,et al. Multiple High-Throughput Analyses Monitor the Response of E. coli to Perturbations , 2007, Science.
[31] Shankar Subramaniam,et al. An editor for pathway drawing and data visualization in the Biopathways Workbench , 2009, BMC Systems Biology.
[32] Evolving neural network optimization of cholesteryl ester separation by reversed-phase HPLC , 2010, Analytical and bioanalytical chemistry.
[33] Profiling of the charged metabolites of traditional herbal medicines using capillary electrophoresis time-of-flight mass spectrometry , 2012, Metabolomics.
[34] Matej Oresic,et al. Informatics and computational strategies for the study of lipids. , 2008, Molecular bioSystems.
[35] B. McManus,et al. The Human Serum Metabolome , 2011, PloS one.
[36] H. Ressom,et al. LC-MS-based metabolomics. , 2012, Molecular bioSystems.
[37] M. Hirai,et al. MassBank: a public repository for sharing mass spectral data for life sciences. , 2010, Journal of mass spectrometry : JMS.
[38] Geoffrey J McLachlan,et al. Selection bias in gene extraction on the basis of microarray gene-expression data , 2002, Proceedings of the National Academy of Sciences of the United States of America.
[39] John Draper,et al. Representation, comparison, and interpretation of metabolome fingerprint data for total composition analysis and quality trait investigation in potato cultivars. , 2007, Journal of agricultural and food chemistry.
[40] Jens Stoye,et al. ChromA: signal-based retention time alignment for chromatography–mass spectrometry data , 2009, Bioinform..
[41] M. Tomita,et al. Quantitative metabolome profiling of colon and stomach cancer microenvironment by capillary electrophoresis time-of-flight mass spectrometry. , 2009, Cancer research.
[42] D. Muddiman,et al. Calibration laws based on multiple linear regression applied to matrix-assisted laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry. , 2008, Journal of mass spectrometry : JMS.
[43] A. Harvey Millar,et al. The MetabolomeExpress Project: enabling web-based processing, analysis and transparent dissemination of GC/MS metabolomics datasets , 2010, BMC Bioinformatics.
[44] Roeland C. H. J. van Ham,et al. Accurate mass error correction in liquid chromatography time-of-flight mass spectrometry based metabolomics , 2008, Metabolomics.
[45] Knut Reinert,et al. OpenMS and TOPP: open source software for LC-MS data analysis. , 2011, Methods in molecular biology.
[46] O. Fiehn,et al. Metabolite profiling for plant functional genomics , 2000, Nature Biotechnology.
[47] Vitor Sousa,et al. Metabolic signatures of lung cancer in biofluids: NMR-based metabonomics of urine. , 2011, Journal of proteome research.
[48] Roberto Marcondes Cesar Junior,et al. Inference from Clustering with Application to Gene-Expression Microarrays , 2002, J. Comput. Biol..
[49] Matej Oresic,et al. Normalization method for metabolomics data using optimal selection of multiple internal standards , 2007, BMC Bioinformatics.
[50] Jing Gao,et al. Metscape: a Cytoscape plug-in for visualizing and interpreting metabolomic data in the context of human metabolic networks , 2010, Bioinform..
[51] Joachim Selbig,et al. Metabolite fingerprinting: detecting biological features by independent component analysis , 2004, Bioinform..
[52] Matthias Müller-Hannemann,et al. In silico fragmentation for computer assisted identification of metabolite mass spectra , 2010, BMC Bioinformatics.
[53] P. Britz‐McKibbin. Capillary electrophoresis-electrospray ionization-mass spectrometry (CE-ESI-MS)-based metabolomics. , 2011, Methods in molecular biology.
[54] Ping Zang,et al. 1H NMR metabolomics identification of markers of hypoxia-induced metabolic shifts in a breast cancer model system , 2011, Journal of biomolecular NMR.
[55] M Daszykowski,et al. A comparison of three algorithms for chromatograms alignment. , 2006, Journal of chromatography. A.
[56] Laurent Debrauwer,et al. Use of reconstituted metabolic networks to assist in metabolomic data visualization and mining , 2010, Metabolomics.
[57] R. Tibshirani,et al. Gene expression patterns of breast carcinomas distinguish tumor subclasses with clinical implications , 2001, Proceedings of the National Academy of Sciences of the United States of America.
[58] Matej Oresic,et al. MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data , 2010, BMC Bioinformatics.
[59] Masanori Arita,et al. What can metabolomics learn from genomics and proteomics? , 2009, Current opinion in biotechnology.
[60] David S. Wishart,et al. MetaboAnalyst: a web server for metabolomic data analysis and interpretation , 2009, Nucleic Acids Res..
[61] Jianguo Xia,et al. Web-based inference of biological patterns, functions and pathways from metabolomic data using MetaboAnalyst , 2011, Nature Protocols.
[62] Y. Benjamini,et al. Controlling the false discovery rate: a practical and powerful approach to multiple testing , 1995 .
[63] V. P. Chacko,et al. Comparative 13C and 31P NMR assessment of altered metabolism during graded reductions in coronary flow in intact rat hearts. , 1989, Proceedings of the National Academy of Sciences of the United States of America.
[64] C. Barbas,et al. Capillary electrophoresis as a metabolomics tool for non-targeted fingerprinting of biological samples. , 2011, Journal of pharmaceutical and biomedical analysis.
[65] Masaru Tomita,et al. Differential metabolomics software for capillary electrophoresis-mass spectrometry data analysis , 2010, Metabolomics.
[66] Jaakko Hollmén,et al. Functional prediction of unidentified lipids using supervised classifiers , 2010, Metabolomics.
[67] Wanchang Lin,et al. Metabolite signal identification in accurate mass metabolomics data with MZedDB, an interactive m/z annotation tool utilising predicted ionisation behaviour 'rules' , 2009, BMC Bioinformatics.
[68] R. Ramautar,et al. CE‐MS in metabolomics , 2009, Electrophoresis.
[69] D. Goodenowe,et al. Nontargeted metabolome analysis by use of Fourier Transform Ion Cyclotron Mass Spectrometry. , 2002, Omics : a journal of integrative biology.
[70] G. Siuzdak,et al. XCMS2: processing tandem mass spectrometry data for metabolite identification and structural characterization. , 2008, Analytical chemistry.
[71] Douglas B. Kell,et al. Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets , 2011, Bioinform..
[72] Leo Breiman,et al. Random Forests , 2001, Machine Learning.
[73] Age K. Smilde,et al. Metabolic network discovery through reverse engineering of metabolome data , 2009, Metabolomics.
[74] Raghuraj Rao,et al. MetDAT: a modular and workflow-based free online pipeline for mass spectrometry data processing, analysis and interpretation , 2010, Bioinform..
[75] Mark D. Robinson,et al. A dynamic programming approach for the alignment of signal peaks in multiple gas chromatography-mass spectrometry experiments , 2007, BMC Bioinformatics.
[76] Standardization and omics science: technical and social dimensions are inseparable and demand symmetrical study. , 2010, Omics : a journal of integrative biology.
[77] M. Orešič,et al. Data processing for mass spectrometry-based metabolomics. , 2007, Journal of chromatography. A.
[78] Kazuki Saito,et al. Metabolomics for functional genomics, systems biology, and biotechnology. , 2010, Annual review of plant biology.
[79] Anne M. Evans,et al. Organization of GC/MS and LC/MS metabolomics data into chemical libraries , 2010, J. Cheminformatics.
[80] Serge Rudaz,et al. Knowledge discovery in metabolomics: an overview of MS data handling. , 2010, Journal of separation science.
[81] Ramón Díaz-Uriarte,et al. Gene selection and classification of microarray data using random forest , 2006, BMC Bioinformatics.
[82] John Draper,et al. Predicting interpretability of metabolome models based on behavior, putative identity, and biological relevance of explanatory signals , 2006, Proceedings of the National Academy of Sciences.
[83] Nigel W. Hardy,et al. A roadmap for the establishment of standard data exchange structures for metabolomics , 2007, Metabolomics.
[84] Ian D Wilson,et al. Metabonomic analysis of mouse urine by liquid-chromatography-time of flight mass spectrometry (LC-TOFMS): detection of strain, diurnal and gender differences. , 2003, The Analyst.
[85] Chris F. Taylor,et al. A common open representation of mass spectrometry data and its application to proteomics research , 2004, Nature Biotechnology.
[86] I. Wilson,et al. Understanding 'Global' Systems Biology: Metabonomics and the Continuum of Metabolism , 2003, Nature Reviews Drug Discovery.
[87] Adam S Ptolemy,et al. Integrative metabolomics for characterizing unknown low-abundance metabolites by capillary electrophoresis-mass spectrometry with computer simulations. , 2007, Analytical chemistry.
[88] Isobel Claire Gormley,et al. Probabilistic principal component analysis for metabolomic data , 2010, BMC Bioinformatics.
[89] Martin Hermansson,et al. Software tools for analysis of mass spectrometric lipidome data. , 2006, Analytical chemistry.
[90] M. Tomita,et al. Correlation between sensory evaluation scores of Japanese sake and metabolome profiles. , 2010, Journal of agricultural and food chemistry.
[91] A. Howseman,et al. 1H-[13C] NMR measurements of [4-13C]glutamate turnover in human brain. , 1992, Proceedings of the National Academy of Sciences of the United States of America.
[92] J. Havel,et al. Artificial Neural Networks for Classification in Metabolomic Studies of Whole Cells Using 1H Nuclear Magnetic Resonance , 2010, Journal of biomedicine & biotechnology.
[93] J. Griffin,et al. An introduction to biological nuclear magnetic resonance spectroscopy , 2011, Biological reviews of the Cambridge Philosophical Society.
[94] Steffen Neumann,et al. Highly sensitive feature detection for high resolution LC/MS , 2008, BMC Bioinformatics.
[95] Knut Reinert,et al. OpenMS and TOPP: Open Source Software for LC-MS Data Analysis , 2010, Proteome Bioinformatics.
[96] Corey D Broeckling,et al. Metabolomics data analysis, visualization, and integration. , 2007, Methods in molecular biology.
[97] R. Sylvester. Combining a molecular profile with a clinical and pathological profile: Biostatistical considerations , 2008, Scandinavian journal of urology and nephrology. Supplementum.
[98] Laura K. Schnackenberg,et al. Metabonomics evaluations of age-related changes in the urinary compositions of male Sprague Dawley rats and effects of data normalization methods on statistical and quantitative analysis , 2007, BMC Bioinformatics.
[99] John T. Wei,et al. Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression , 2009, Nature.
[100] P. Eilers. Parametric time warping. , 2004, Analytical chemistry.
[101] M. Ibáñez,et al. Building an empirical mass spectra library for screening of organic pollutants by ultra-high-pressure liquid chromatography/hybrid quadrupole time-of-flight mass spectrometry. , 2011, Rapid communications in mass spectrometry : RCM.
[102] J. Hilmer,et al. Physical signal modulation of time-of-flight mass analyzers increases precision and decreases noise. , 2011, Rapid communications in mass spectrometry : RCM.
[103] G. Siuzdak,et al. Nonlinear data alignment for UPLC-MS and HPLC-MS based metabolomics: quantitative analysis of endogenous and exogenous metabolites in human serum. , 2006, Analytical chemistry.
[104] David S. Wishart,et al. MSEA: a web-based tool to identify biologically meaningful patterns in quantitative metabolomic data , 2010, Nucleic Acids Res..
[105] Arjen Lommen,et al. MetAlign: interface-driven, versatile metabolomics tool for hyphenated full-scan mass spectrometry data preprocessing. , 2009, Analytical chemistry.
[106] R. A. van den Berg,et al. Centering, scaling, and transformations: improving the biological information content of metabolomics data , 2006, BMC Genomics.
[107] N. Reo. NMR-BASED METABOLOMICS , 2002, Drug and chemical toxicology.
[108] Aalim Weljie,et al. Understanding the human salivary metabolome , 2009, NMR in biomedicine.
[109] Joshua D Rabinowitz,et al. Metabolomic analysis and visualization engine for LC-MS data. , 2010, Analytical chemistry.
[110] John C Lindon,et al. Pharmacometabonomics as an effector for personalized medicine. , 2011, Pharmacogenomics.
[111] N. Baliga,et al. metaXCMS: second-order analysis of untargeted metabolomics data. , 2011, Analytical chemistry.
[112] R. Abagyan,et al. XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification. , 2006, Analytical chemistry.
[113] Reinhard Laubenbacher,et al. Bioinformatics tools for cancer metabolomics , 2011, Metabolomics.
[114] Nabil Belacel,et al. NMR metabolic analysis of samples using fuzzy K‐means clustering , 2009, Magnetic resonance in chemistry : MRC.
[115] Yaakov Stern,et al. Multivariate Data Analysis for Neuroimaging Data: Overview and Application to Alzheimer’s Disease , 2010, Cell Biochemistry and Biophysics.
[116] J. Nelson,et al. Dynamics of prostate cancer cell invasion studied in vitro by NMR microscopy , 1999, Magnetic resonance in medicine.
[117] E. Fukusaki,et al. Serum metabolomics as a novel diagnostic approach for pancreatic cancer , 2010, Metabolomics.
[118] Steffen Neumann,et al. Critical assessment of alignment procedures for LC-MS proteomics and metabolomics measurements , 2008, BMC Bioinformatics.
[119] Jin Hwan Do,et al. Clustering approaches to identifying gene expression patterns from DNA microarray data. , 2008, Molecules and cells.
[120] Nigel W. Hardy,et al. Proposed minimum reporting standards for chemical analysis , 2007, Metabolomics.
[121] Michael Kohl,et al. Cytoscape: software for visualization and analysis of biological networks. , 2011, Methods in molecular biology.
[122] Claude C. Grigsby,et al. Metabolite differentiation and discovery lab (MeDDL): a new tool for biomarker discovery and mass spectral visualization. , 2010, Analytical chemistry.
[123] Akira Oikawa,et al. Assessment of Metabolome Annotation Quality: A Method for Evaluating the False Discovery Rate of Elemental Composition Searches , 2009, PLoS ONE.
[124] Peter D. Karp,et al. Web-based metabolic network visualization with a zooming user interface , 2011, BMC Bioinformatics.
[125] Leo L. Cheng,et al. Metabolomic Imaging for Human Prostate Cancer Detection , 2010, Science Translational Medicine.
[126] David R. Bickel,et al. Long-Chain Fatty Acid Combustion Rate Is Associated with Unique Metabolite Profiles in Skeletal Muscle Mitochondria , 2010, PloS one.
[127] Donglu Zhang,et al. Mass defect filter technique and its applications to drug metabolite identification by high-resolution mass spectrometry. , 2009, Journal of mass spectrometry : JMS.
[128] Mark R Viant,et al. Spectral relative standard deviation: a practical benchmark in metabolomics. , 2009, The Analyst.
[129] Andrew Hayes,et al. An optimized protocol for metabolome analysis in yeast using direct infusion electrospray mass spectrometry. , 2003, Phytochemistry.
[130] J. Lindon,et al. So what's the deal with metabonomics? , 2003, Analytical chemistry.
[131] Masaru Tomita,et al. Prediction of metabolite identity from accurate mass, migration time prediction and isotopic pattern information in CE‐TOFMS data , 2010, Electrophoresis.
[132] M. Tomita,et al. Serum metabolomics reveals γ-glutamyl dipeptides as biomarkers for discrimination among different forms of liver disease. , 2011, Journal of hepatology.
[133] Ian J. Brown,et al. Human metabolic phenotype diversity and its association with diet and blood pressure , 2008, Nature.
[134] M. Tomita,et al. Capillary electrophoresis mass spectrometry-based saliva metabolomics identified oral, breast and pancreatic cancer-specific profiles , 2009, Metabolomics.
[135] John Wilbanks,et al. 'Omics Data Sharing , 2009, Science.
[136] K. Blom. Estimating the precision of exact mass measurements on an orthogonal time-of-flight mass spectrometer. , 2001, Analytical chemistry.
[137] Age K Smilde,et al. Time alignment algorithms based on selected mass traces for complex LC-MS data. , 2010, Journal of proteome research.
[138] Rainer Breitling,et al. Increasing the mass accuracy of high‐resolution LC‐MS data using background ions – a case study on the LTQ‐Orbitrap , 2008, Proteomics.
[139] P. Djurić,et al. Systems biology approach to imaging of neural stem cells. , 2011, Methods in molecular biology.
[140] F. Cendes,et al. Classification of brain tumor extracts by high resolution ¹H MRS using partial least squares discriminant analysis. , 2011, Brazilian journal of medical and biological research = Revista brasileira de pesquisas medicas e biologicas.
[141] Nigel W. Hardy,et al. Establishing reporting standards for metabolomic and metabonomic studies: a call for participation. , 2006, Omics : a journal of integrative biology.
[142] Pei Wang,et al. Bioinformatics Original Paper a Suite of Algorithms for the Comprehensive Analysis of Complex Protein Mixtures Using High-resolution Lc-ms , 2022 .
[143] P. Britz‐McKibbin,et al. Virtual quantification of metabolites by capillary electrophoresis-electrospray ionization-mass spectrometry: predicting ionization efficiency without chemical standards. , 2009, Analytical chemistry.
[144] David S. Wishart,et al. Bioinformatics Applications Note Systems Biology Metpa: a Web-based Metabolomics Tool for Pathway Analysis and Visualization , 2022 .
[145] I. García-Pérez,et al. Metabolic fingerprinting with capillary electrophoresis. , 2008, Journal of chromatography. A.
[146] G. Hanrahan. Computational neural networks driving complex analytical problem solving. , 2010, Analytical chemistry.
[147] Younghoon Kim,et al. Combining tissue transcriptomics and urine metabolomics for breast cancer biomarker identification , 2009, Bioinform..
[148] Andreas Zell,et al. Prediction of breast cancer by profiling of urinary RNA metabolites using Support Vector Machine-based feature selection , 2009, BMC Cancer.
[149] Gabi Kastenmüller,et al. metaP-Server: A Web-Based Metabolomics Data Analysis Tool , 2010, Journal of biomedicine & biotechnology.
[150] Christian Gieger,et al. Genetics Meets Metabolomics: A Genome-Wide Association Study of Metabolite Profiles in Human Serum , 2008, PLoS genetics.
[151] Gemma L. Holliday,et al. The structures and physicochemical properties of organic cofactors in biocatalysis. , 2010, Journal of molecular biology.
[152] Yufeng J. Tseng,et al. Chromaligner: a web server for chromatogram alignment , 2010, Bioinform..
[153] E. Nevedomskaya,et al. Alignment of capillary electrophoresis–mass spectrometry datasets using accurate mass information , 2009, Analytical and bioanalytical chemistry.
[154] Oliver Fiehn,et al. Metabolomic database annotations via query of elemental compositions: Mass accuracy is insufficient even at less than 1 ppm , 2006, BMC Bioinformatics.
[155] Christoph Steinbeck,et al. Building blocks for automated elucidation of metabolites: Machine learning methods for NMR prediction , 2008, BMC Bioinformatics.
[156] A. Cifuentes,et al. Analysis of carboxylic acids in biological fluids by capillary electrophoresis , 2005, Electrophoresis.
[157] M. Tomita,et al. Informatics for peptide retention properties in proteomic LC‐MS , 2008, Proteomics.
[158] Elaine Holmes,et al. Metabonomics in pharmaceutical R & D , 2007, The FEBS journal.
[159] U. Edlund,et al. Visualization of GC/TOF-MS-based metabolomics data for identification of biochemically interesting compounds using OPLS class models. , 2008, Analytical chemistry.
[160] Richard D. Smith,et al. High mass measurement accuracy determination for proteomics using multivariate regression fitting: application to electrospray ionization time-of-flight mass spectrometry. , 2003, Analytical chemistry.
[161] Rawi Ramautar,et al. CE‐MS for metabolomics: Developments and applications in the period 2008–2010 , 2011, Electrophoresis.
[162] O. Fiehn,et al. Identification of uncommon plant metabolites based on calculation of elemental compositions using gas chromatography and quadrupole mass spectrometry. , 2000, Analytical chemistry.
[163] Matej Oresic,et al. MZmine: toolbox for processing and visualization of mass spectrometry based molecular profile data , 2006, Bioinform..
[164] Warwick B Dunn,et al. Current trends and future requirements for the mass spectrometric investigation of microbial, mammalian and plant metabolomes , 2008, Physical biology.
[165] Jouni Uitto,et al. Comparison of 1D and 2D NMR spectroscopy for metabolic profiling. , 2008, Journal of proteome research.
[166] Susumu Goto,et al. KEGG for representation and analysis of molecular networks involving diseases and drugs , 2009, Nucleic Acids Res..
[167] Nigel W. Hardy,et al. A proposed framework for the description of plant metabolomics experiments and their results , 2004, Nature Biotechnology.
[168] M. Tomita,et al. Quantitative metabolome analysis using capillary electrophoresis mass spectrometry. , 2003, Journal of proteome research.
[169] R. Goodacre,et al. The role of metabolites and metabolomics in clinically applicable biomarkers of disease , 2010, Archives of Toxicology.
[170] Manuel Desco,et al. A novel R-package graphic user interface for the analysis of metabonomic profiles , 2009, BMC Bioinformatics.