OCT. 2010 - METABONOMICS AND METABOLITE PROFILING

Research Front Map

As part of this bimonthly processing, ScienceWatch.com selects the Research Fronts with the largest absolute increase in size in each of the 22 major fields covered by Essential Science IndicatorsSM from Thomson Reuters. The size of a research front is determined by the number of core papers it contains. This Research Front titled "Metabonomics and Metabolite Profiling" from the field of Computer Science, was selected for mapping from the list of Top Topics for October 2010 (data from the second bimonthly period of 2010). The map is a diagrammatic representation of the 32 core papers comprising the front in Computer Science.

Each circle represents a highly cited paper whose bibliographic information is displayed when the user clicks on the circle. The lines between circles represent the strongest co-citation links for each paper (that is, indicating that the papers are frequently cited together). Papers close to each other on the map are generally more highly co-cited. The most recent paper(s) are indicated in pink. Annotations may have been added to this map which represent the main research themes. These appear as labels attached to specific regions on the maps.

 

Ultra-performance liquid chromatography coupled to quadrupole-orthogonal time-of-flight mass spectrometry Evaluation of the orthogonal projection on latent structure model limitations caused by chemical shift variability and improved visualization of biomarker changes in H-1 NMR spectroscopic metabonomic studies HPLC-MS-based methods for the study of metabonomics Statistical total correlation spectroscopy: An exploratory approach for latent biomarker identification from metabolic H-1 NMR data sets Increasing throughput and information content for in vitro drug metabolism experiments using ultra-performance liquid chromatography coupled to a quadrupole time-of-flight mass spectrometer High resolution "Ultra performance" liquid chromatography coupled to oa-TOF mass spectrometry as a tool for differential metabolic pathway profiling in functional genomic studies Gut microorganisms, mammalian metabolism and personalized health care NMR-based metabonomic approaches for evaluating physiological influences on biofluid composition A rapid screening approach to metabonomics using UPLC and oa-TOF mass spectrometry: application to age, gender and diurnal variation in normal/Zucker obese rats and black, white and nude mice Processing methods for differential analysis of LC/MS profile data Accelerated throughput metabolic route screening in early drug discovery using high-resolution liquid chromatography/quadrupole time-of-flight mass spectrometry and automated data analysis Statistical heterospectroscopy, an approach to the integrated analysis of NMR and UPLC-MS data sets: Application in metabonomic toxicology studies Solvent-dependent metabolite distribution, clustering, and protein extraction for serum profiling with mass spectrometry XCMS: Processing mass spectrometry data for metabolite profiling using Nonlinear peak alignment, matching, and identification MZmine: toolbox for processing and visualization of mass spectrometry based molecular profile data Pharmaco-metabonomic phenotyping and personalized drug treatment Nonlinear data alignment for UPLC-MS and HPLC-MS based metabolomics: Quantitative analysis of endogenous and exogenous metabolites in human serum UPLIC/MSE; a new approach for generating molecular fragment information for biomarker structure elucidation A suite of algorithms for the comprehensive analysis of complex protein mixtures using high-resolution LC-MS Metabolic profiling reveals a contribution of gut microbiota to fatty liver phenotype in insulin-resistant mice MathDAMP: a package for differential analysis of metabolite profiles TOPP - the OpenMS proteomics pipeline Analytical strategies in metabonomics A statistical method for chromatographic alignment of LC-MS data MSE with mass defect filtering for in vitro and in vivo metabolite identification Metabolite identification by data-dependent accurate mass spectrometric analysis at resolving power of 60,000 in external calibration mode using an LTQ/Orbitrap Symbiotic gut microbes modulate human metabolic phenotypes High-throughput, accurate mass liquid chromatography/tandem mass spectrometry on a quadrupole time-of-flight system as a A generic method to detect electrophilic intermediates using isotopic pattern triggered data-dependent high-resolution accurate mass spectrometry Human metabolic phenotype diversity and its association with diet and blood pressure Mass defect profiles of biological matrices and the general applicability of mass defect filtering for metabolite detection

Metabonomics and Metabolite Profiling

Core Papers

Label: Smith-2006
 Title: XCMS: Processing mass spectrometry data for metabolite profiling using Nonlinear peak alignment, matching, and identification
Journal: ANAL CHEM, 78 (3): 779-787 FEB 1 2006
Citations: 211
Authors: Smith, CA;Want, EJ;O'Maille, G;Abagyan, R;Siuzdak, G
Addresses:
Scripps Res Inst, Ctr Mass Spect, 10550 N Torrey Pines Rd,BCC-007, La Jolla, CA 92037 USA
Scripps Res Inst, Ctr Mass Spect, La Jolla, CA 92037 USA
Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA


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Label: Wilson-2005
 Title: HPLC-MS-based methods for the study of metabonomics
Journal: J CHROMATOGR B, 817 (1): 67-76 MAR 5 2005
Citations: 167
Authors: Wilson, ID;Plumb, R;Granger, J;Major, H;Williams, R;Lenz, EA
Addresses:
AstraZeneca, Dept Drug Metab & Pharmacokinet, Alderley Pk, Macclesfield SK10 4TG, Cheshire, England
AstraZeneca, Dept Drug Metab & Pharmacokinet, Macclesfield SK10 4TG, Cheshire, England
Waters Corp, Milford, MA USA
Waters Corp, Manchester M23 9LZ, Lancs, England


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Label: Cloarec-2005
 Title: Statistical total correlation spectroscopy: An exploratory approach for latent biomarker identification from metabolic H-1 NMR data sets
Journal: ANAL CHEM, 77 (5): 1282-1289 MAR 1 2005
Citations: 157
Authors: Cloarec, O;Dumas, ME;Craig, A;Barton, RH;Trygg, J;Hudson, J;Blancher, C;Gauguier, D;Lindon, JC;Holmes, E;Nicholson, J
Addresses:
Univ London Imperial Coll Sci Technol & Med, Fac Med, Div Biomed Sci, Biol Chem Sect, London, England
Univ London Imperial Coll Sci Technol & Med, Fac Med, Div Biomed Sci, Biol Chem Sect, London, England
Umea Univ, Inst Chem, Res Grp Chemometr, Umea, Sweden
Univ Oxford, Wellcome Trust Ctr Human Genet, Oxford, England


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Label: Wilson-2005
 Title: High resolution "Ultra performance" liquid chromatography coupled to oa-TOF mass spectrometry as a tool for differential metabolic pathway profiling in functional genomic studies
Journal: J PROTEOME RES, 4 (2): 591-598 MAR-APR 2005
Citations: 148
Authors: Wilson, ID;Nicholson, JK;Castro-Perez, J;Granger, JH;Johnson, KA;Smith, BW;Plumb, RS
Addresses:
AstraZeneca, Dept Drug Metab & Pharmacokinet, Alderley Pk, Macclesfield SK10 4TG, Cheshire, England
AstraZeneca, Dept Drug Metab & Pharmacokinet, Macclesfield SK10 4TG, Cheshire, England
Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England
Waters Corp, MS Technol Ctr, Manchester M23 9LZ, Lancs, England
Waters Corp, Milford, MA USA


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Label: Clayton-2006
 Title: Pharmaco-metabonomic phenotyping and personalized drug treatment
Journal: NATURE, 440 (7087): 1073-1077 APR 20 2006
Citations: 146
Authors: Clayton, TA;Lindon, JC;Cloarec, O;Antti, H;Charuel, C;Hanton, G;Provost, JP;Le Net, JL;Baker, D;Walley, RJ;Everett, JR;Nicholson, JK
Addresses:
Univ London Imperial Coll Sci Technol & Med, Fac Nat Sci, Div Biomed Sci, Sir Alexander Fleming Bldg, London SW7 2AZ, England
Univ London Imperial Coll Sci Technol & Med, Fac Nat Sci, Div Biomed Sci, London SW7 2AZ, England
Umea Univ, Dept Chem, S-90187 Umea, Sweden
Pfizer Global Res & Dev, Ctr Rech, F-37401 Amboise, France
Pfizer Inc, Ann Arbor, MI 48105 USA
Pfizer Ltd, Global Res & Dev, Sandwich CT13 9NJ, Kent, England


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Label: Nicholson-2005
 Title: Gut microorganisms, mammalian metabolism and personalized health care
Journal: NAT REV MICROBIOL, 3 (5): 431-438 MAY 2005
Citations: 142
Authors: Nicholson, JK;Holmes, E;Wilson, ID
Addresses:


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Label: Bollard-2005
 Title: NMR-based metabonomic approaches for evaluating physiological influences on biofluid composition
Journal: NMR BIOMED, 18 (3): 143-162 MAY 2005
Citations: 135
Authors: Bollard, ME;Stanley, EG;Lindon, JC;Nicholson, JK;Holmes, E
Addresses:
Univ London Imperial Coll Sci Technol & Med, Div Biomed Sci, Sir Alexander Fleming Bldg, London SW7 2AZ, England
Univ London Imperial Coll Sci Technol & Med, Div Biomed Sci, London SW7 2AZ, England


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Label: Plumb-2004
 Title: Ultra-performance liquid chromatography coupled to quadrupole-orthogonal time-of-flight mass spectrometry
Journal: RAPID COMMUN MASS SPECTROM, 18 (19): 2331-2337 2004
Citations: 132
Authors: Plumb, R;Castro-Perez, J;Granger, J;Beattie, I;Joncour, K;Wright, A
Addresses:
Waters Corp, Milford, MA USA
Waters Corp, Milford, MA USA
Waters Corp, MS Technol Ctr, Manchester, Lancs, England
AstraZeneca R&D Charnwood, Phys & Metab Sci, Loughborough, Leics, England


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Label: Cloarec-2005
 Title: Evaluation of the orthogonal projection on latent structure model limitations caused by chemical shift variability and improved visualization of biomarker changes in H-1 NMR spectroscopic metabonomic studies
Journal: ANAL CHEM, 77 (2): 517-526 JAN 15 2005
Citations: 124
Authors: Cloarec, O;Dumas, ME;Trygg, J;Craig, A;Barton, RH;Lindon, JC;Nicholson, JK;Holmes, E
Addresses:
Univ London Imperial Coll Sci Technol & Med, Fac Med, Biol Chem Biomed Sci Div, London SW7 2AZ, England
Univ London Imperial Coll Sci Technol & Med, Fac Med, Biol Chem Biomed Sci Div, London SW7 2AZ, England
Umea Univ, Inst Chem, Chemometr Res Grp, Umea, Sweden


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Label: Dumas-2006
 Title: Metabolic profiling reveals a contribution of gut microbiota to fatty liver phenotype in insulin-resistant mice
Journal: PROC NAT ACAD SCI USA, 103 (33): 12511-12516 AUG 15 2006
Citations: 107
Authors: Dumas, ME;Barton, RH;Toye, A;Cloarec, O;Blancher, C;Rothwell, A;Fearnside, J;Tatoud, R;Blanc, V;Lindon, JC;Mitchell, SC;Holmes, E;McCarthy, MI;Scott, J;Gauguier, D;Nicholson, JK
Addresses:
Univ London Imperial Coll Sci Technol & Med, Dept Biol Chem, London SW7 2AZ, England
Univ London Imperial Coll Sci Technol & Med, Dept Biol Chem, London SW7 2AZ, England
Univ London Imperial Coll Sci Technol & Med, Genet & Genom Res Inst, London SW7 2AZ, England
Univ Oxford, Wellcome Trust Ctr Human Genet, Oxford OX3 7BN, England


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Label: Katajamaa-2006
 Title: MZmine: toolbox for processing and visualization of mass spectrometry based molecular profile data
Journal: BIOINFORMATICS, 22 (5): 634-636 MAR 1 2006
Citations: 105
Authors: Katajamaa, M;Miettinen, J;Oresic, M
Addresses:
VTT Tech Res Ctr Finland, Espoo, Finland
VTT Tech Res Ctr Finland, Espoo, Finland
Turku Ctr Biotechnol, Turku, Finland


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Label: Castro-Perez-2005
 Title: Increasing throughput and information content for in vitro drug metabolism experiments using ultra-performance liquid chromatography coupled to a quadrupole time-of-flight mass spectrometer
Journal: RAPID COMMUN MASS SPECTROM, 19 (6): 843-848 2005
Citations: 101
Authors: Castro-Perez, J;Plumb, R;Granger, JH;Beattie, L;Joncour, K;Wright, A
Addresses:
Waters Corp, MS Technol Ctr, Atlas Pk, Manchester M22 5PP, Lancs, England
Waters Corp, MS Technol Ctr, Manchester M22 5PP, Lancs, England
Waters Corp, Milford, MA USA
AstraZeneca R&D Charnwood, Loughborough, Leics, England


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Label: Katajamaa-2005
 Title: Processing methods for differential analysis of LC/MS profile data
Journal: BMC BIOINFORMATICS, 6: art. no.-179 JUL 18 2005
Citations: 101
Authors: Katajamaa, M;Oresic, M
Addresses:
VTT Biotechnol, Tietotie 2,POB 1500, FIN-02044 Espoo, Finland
VTT Biotechnol, FIN-02044 Espoo, Finland
Turku Ctr Biotechnol, FIN-20521 Turku, Finland


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Label: Lenz-2007
 Title: Analytical strategies in metabonomics
Journal: J PROTEOME RES, 6 (2): 443-458 2007
Citations: 100
Authors: Lenz, EM;Wilson, ID
Addresses:
AstraZeneca, Dept Drug Metab & Pharmacokinet, Alderley Pk, Macclesfield SK10 4TG, Cheshire, England
AstraZeneca, Dept Drug Metab & Pharmacokinet, Macclesfield SK10 4TG, Cheshire, England


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Label: Plumb-2005
 Title: A rapid screening approach to metabonomics using UPLC and oa-TOF mass spectrometry: application to age, gender and diurnal variation in normal/Zucker obese rats and black, white and nude mice
Journal: ANALYST, 130 (6): 844-849 2005
Citations: 100
Authors: Plumb, RS;Granger, JH;Stumpf, CL;Johnson, KA;Smith, BW;Gaulitz, S;Wilson, ID;Castro-Perez, J
Addresses:
Waters Corp, 34 Maple St, Milford, MA 01757 USA
Waters Corp, Milford, MA 01757 USA
AstraZeneca, Dept Drug Metab & Pharmacokinet, Macclesfield SK10 4TG, Cheshire, England
Waters Corp, Manchester M23 9LZ, Lancs, England


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Label: Crockford-2006
 Title: Statistical heterospectroscopy, an approach to the integrated analysis of NMR and UPLC-MS data sets: Application in metabonomic toxicology studies
Journal: ANAL CHEM, 78 (2): 363-371 JAN 15 2006
Citations: 97
Authors: Crockford, DJ;Holmes, E;Lindon, JC;Plumb, RS;Zirah, S;Bruce, SJ;Rainville, P;Stumpf, CL;Nicholson, JK
Addresses:
Univ London Imperial Coll Sci Technol & Med, Div Biomed Sci, Sir Alexander Fleming Bldg, London SW7 2AZ, England
Univ London Imperial Coll Sci Technol & Med, Div Biomed Sci, London SW7 2AZ, England
Waters Corp, Milford, MA 01757 USA


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Label: Li-2008
 Title: Symbiotic gut microbes modulate human metabolic phenotypes
Journal: PROC NAT ACAD SCI USA, 105 (6): 2117-2122 FEB 12 2008
Citations: 94
Authors: Li, M;Wang, BH;Zhang, MH;Rantalainen, M;Wang, SY;Zhou, HK;Zhang, Y;Shen, J;Pang, XY;Zhang, ML;Wei, H;Chen, Y;Lu, HF;Zuo, J;Su, MM;Qiu, YP;Jia, W;Xiao, CN;Smith, LM;Yang, SL;Holmes, E;Tang, HR;Zhao, GP;Nicholson, JK;Li, LJ;Zhao, LP
Addresses:
Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China
Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China
Shanghai Jiao Tong Univ, Shanghai Ctr Syst Biomed, Minist Educ Key Lab Syst Biomed, Shanghai 200240, Peoples R China
Zhejiang Univ, Affiliated Hosp 1, State Key Lab Diagnosis & Treatment Infect Dis, Hangzhou 310003, Peoples R China
Grad Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Chinese Natl Human Genome Ctr, Shanghai MOST Key Lab Dis & Hlth Gen, Shanghai 201203, Peoples R China
Univ London Imperial Coll Sci Technol & Med, Fac Med, Dept Biomol & Med, London SW7 2AZ, England


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Label: Nordstrom-2006
 Title: Nonlinear data alignment for UPLC-MS and HPLC-MS based metabolomics: Quantitative analysis of endogenous and exogenous metabolites in human serum
Journal: ANAL CHEM, 78 (10): 3289-3295 MAY 15 2006
Citations: 80
Authors: Nordstrom, A;O'Maille, G;Qin, C;Siuzdak, G
Addresses:
Scripps Res Inst, Sripps Ctr Mass Spectrometry, Dept Mol Biol, 10550 N Torrey Pines Rd, La Jolla, CA 92037 USA
Scripps Res Inst, Sripps Ctr Mass Spectrometry, Dept Mol Biol, La Jolla, CA 92037 USA


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Label: Holmes-2008
 Title: Human metabolic phenotype diversity and its association with diet and blood pressure
Journal: NATURE, 453 (7193): 396-U50 MAY 15 2008
Citations: 74
Authors: Holmes, E;Loo, RL;Stamler, J;Bictash, M;Yap, IKS;Chan, Q;Ebbels, T;De Iorio, M;Brown, IJ;Veselkov, KA;Daviglus, ML;Kesteloot, H;Ueshima, H;Zhao, LC;Nicholson, JK;Elliott, P
Addresses:
Univ London Imperial Coll Sci Technol & Med, Fac Med, Div Surg Oncol Reprod Biol & Anaesthet SORA, S Kensington Campus, London SW7 2AZ, England
Univ London Imperial Coll Sci Technol & Med, Fac Med, Div Surg Oncol Reprod Biol & Anaesthet SORA, London SW7 2AZ, England
Univ London Imperial Coll Sci Technol & Med, Dept Epidemiol & Publ Hlth, London W2 1PG, England
Northwestern Univ, Feinberg Sch Med, Dept Prevent Med, Chicago, IL 60611 USA
Akad Ziekenhuis St Rafael, Dept Publ Hlth, Div Epidemiol, B-3000 Louvain, Belgium
Shiga Univ Med Sci, Dept Hlth Sci, Shiga 5202192, Japan
Chinese Acad Med Sci, Dept Epidemiol, Fu Wai Hosp, Beijing 100037, Peoples R China
Chinese Acad Med Sci, Cardiovasc Inst, Beijing 100037, Peoples R China


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Label: Want-2006
 Title: Solvent-dependent metabolite distribution, clustering, and protein extraction for serum profiling with mass spectrometry
Journal: ANAL CHEM, 78 (3): 743-752 FEB 1 2006
Citations: 72
Authors: Want, EJ;O'Maille, G;Smith, CA;Brandon, TR;Uritboonthai, W;Qin, C;Trauger, SA;Siuzdak, G
Addresses:
Scripps Res Inst, Dept Mol Biol, 10550 N Torrey Pines Rd, La Jolla, CA 92037 USA
Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA
Scripps Res Inst, Ctr Mass Spect, La Jolla, CA 92037 USA


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Label: Bellew-2006
 Title: A suite of algorithms for the comprehensive analysis of complex protein mixtures using high-resolution LC-MS
Journal: BIOINFORMATICS, 22 (15): 1902-1909 AUG 1 2006
Citations: 69
Authors: Bellew, M;Coram, M;Fitzgibbon, M;Igra, M;Randolph, T;Wang, P;May, D;Eng, J;Fang, RH;Lin, CW;Chen, JZ;Goodlett, D;Whiteaker, J;Paulovich, A;McIntosh, M
Addresses:
Fred Hutchinson Canc Res Ctr, Seattle, WA 98109 USA
Fred Hutchinson Canc Res Ctr, Seattle, WA 98109 USA
LabKey Software, Seattle, WA 98109 USA
Univ Washington, Seattle, WA 98195 USA


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Label: Plumb-2006
 Title: UPLIC/MSE; a new approach for generating molecular fragment information for biomarker structure elucidation
Journal: RAPID COMMUN MASS SPECTROM, 20 (13): 1989-1994 2006
Citations: 49
Authors: Plumb, RS;Johnson, KA;Rainville, P;Smith, BW;Wilson, ID;Castro-Perez, JM;Nicholson, JK
Addresses:
Univ London Imperial Coll Sci Technol & Med, Div Biomed Sci, Fac Nat Sci, Sir Alexander Fleming Bldg, London SW7 2AZ, England
Univ London Imperial Coll Sci Technol & Med, Div Biomed Sci, Fac Nat Sci, London SW7 2AZ, England
AstraZeneca, Dept Drug Metab & Pharmacokinet, Macclesfield SK10 4TG, Cheshire, England
Waters Corp, Milford, MA 01757 USA


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Label: Mortishire-Smith-2005
 Title: Accelerated throughput metabolic route screening in early drug discovery using high-resolution liquid chromatography/quadrupole time-of-flight mass spectrometry and automated data analysis
Journal: RAPID COMMUN MASS SPECTROM, 19 (18): 2659-2670 2005
Citations: 43
Authors: Mortishire-Smith, RJ;O'Connor, D;Castro-Perez, JM;Kirby, J
Addresses:
Merck Sharp & Dohme Ltd, Neurosci Res Ctr, Terlings Pk, Harlow CM20 2QR, Essex, England
Merck Sharp & Dohme Ltd, Neurosci Res Ctr, Harlow CM20 2QR, Essex, England
Waters Corp, MS Technol Ctr, Manchester M22 5PP, Lancs, England


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Label: Wrona-2005
 Title: 'All-in-One' analysis for metabolite identification using liquid chromatography/hybrid quadrupole time-of-flight mass spectrometry with collision energy switching
Journal: RAPID COMMUN MASS SPECTROM, 19 (18): 2597-2602 2005
Citations: 39
Authors: Wrona, M;Mauriala, T;Bateman, KP;Mortishire-Smith, RJ;O'Connor, D
Addresses:
Merck Frosst Canada Inc, POB 1005, Pointe Claire, PQ H9R 4P8, Canada
Merck Frosst Canada Ltd, Kirkland, PQ H9H 3L1, Canada
Merck Sharp & Dohme Ltd, Neurosci Res Ctr, Harlow CM20 2QR, Essex, England


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Label: Bateman-2007
 Title: MSE with mass defect filtering for in vitro and in vivo metabolite identification
Journal: RAPID COMMUN MASS SPECTROM, 21 (9): 1485-1496 2007
Citations: 36
Authors: Bateman, KP;Castro-Perez, J;Wrona, M;Shockcor, JP;Yu, K;Oballa, R;Nicoll-Griffith, DA
Addresses:
Merck Frosst Canada Inc, POB 1005, Pointe Claire, PQ H9R 4P8, Canada
Merck Frosst Canada Ltd, Kirkland, PQ H9H 3L1, Canada
Waters Corp, Milford, MA 01757 USA


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Label: Kohlbacher-2007
 Title: TOPP - the OpenMS proteomics pipeline
Journal: BIOINFORMATICS, 23 (2): E191-E197 JAN 15 2007
Citations: 32
Authors: Kohlbacher, O;Reinert, K;Gropl, C;Lange, E;Pfeifer, N;Schulz-Trieglaff, O;Sturm, M
Addresses:
Univ Tubingen, Sand 14, D-72076 Tubingen, Germany
Univ Tubingen, D-72076 Tubingen, Germany
Free Univ Berlin, D-14195 Berlin, Germany


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Label: Lim-2007
 Title: Metabolite identification by data-dependent accurate mass spectrometric analysis at resolving power of 60,000 in external calibration mode using an LTQ/Orbitrap
Journal: RAPID COMMUN MASS SPECTROM, 21 (12): 1821-1832 2007
Citations: 28
Authors: Lim, HK;Chen, J;Sensenhauser, C;Cook, K;Subrahmanyam, V
Addresses:
Johnson & Johnson Pharmaceut Res Inst, Drug Metab & Pharmacokinet, Global Preclin Dev, OMP,B-132B,1000 Route 202 S, Raritan, NJ 08869 USA
Johnson & Johnson Pharmaceut Res Inst, Drug Metab & Pharmacokinet, Global Preclin Dev, Raritan, NJ 08869 USA


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Label: Baran-2006
 Title: MathDAMP: a package for differential analysis of metabolite profiles
Journal: BMC BIOINFORMATICS, 7: art. no.-530 DEC 13 2006
Citations: 26
Authors: Baran, R;Kochi, H;Saito, N;Suematsu, M;Soga, T;Nishioka, T;Robert, M;Tomita, M
Addresses:
Slovak Acad Sci, Inst Chem, Dubravska Cesta 9, Bratislava 84538, Slovakia
Keio Univ, Sch Med, Dept Biochem & Integrat Med Biol, Shinjuku Ku, Tokyo 1608582, Japan
Keio Univ, Inst Adv Biosci, Yamagata 9970017, Japan


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Label: Tiller-2008
 Title: High-throughput, accurate mass liquid chromatography/tandem mass spectrometry on a quadrupole time-of-flight system as a 'first-line' approach for metabolite identification studies
Journal: RAPID COMMUN MASS SPECTROM, 22 (7): 1053-1061 APR 2008
Citations: 26
Authors: Tiller, PR;Yu, S;Castro-Perez, J;Fillgrove, KL;Baillie, TA
Addresses:
Merck Res Labs, Dept Drug Metab & Pharmacokinet, WP75A-203,POB 4, West Point, PA 19486 USA
Merck Res Labs, Dept Drug Metab & Pharmacokinet, West Point, PA 19486 USA
Waters Corp, Milford, MA 01757 USA


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Label: Wang-2007
 Title: A statistical method for chromatographic alignment of LC-MS data
Journal: BIOSTATISTICS, 8 (2): 357-367 APR 2007
Citations: 23
Authors: Wang, P;Tang, H;Fitzgibbon, MP;McIntosh, M;Coram, M;Zhang, H;Yi, E;Aebersold, R
Addresses:
Univ Chicago, Dept Stat, Chicago, IL 60637 USA
Univ Chicago, Dept Stat, Chicago, IL 60637 USA
Fred Hutchinson Canc Res Ctr, Seattle, WA 98104 USA
Inst Syst Biol, Seattle, WA USA


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Label: Lim-2008
 Title: A generic method to detect electrophilic intermediates using isotopic pattern triggered data-dependent high-resolution accurate mass spectrometry
Journal: RAPID COMMUN MASS SPECTROM, 22 (8): 1295-1311 APR 2008
Citations: 18
Authors: Lim, HK;Chen, J;Cook, K;Sensenhauser, C;Silva, J;Evans, DC
Addresses:
Johnson & Johnson Pharmaceut Res Inst, OMP, Drug Metab & Pharmacokinet, Global Preclin Dev, B-132B,Route 202 S, Raritan, NJ 08869 USA
Johnson & Johnson Pharmaceut Res Inst, OMP, Drug Metab & Pharmacokinet, Global Preclin Dev, Raritan, NJ 08869 USA


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Label: Zhang-2008
 Title: Mass defect profiles of biological matrices and the general applicability of mass defect filtering for metabolite detection
Journal: RAPID COMMUN MASS SPECTROM, 22 (13): 2082-2088 JUL 2008
Citations: 16
Authors: Zhang, HY;Zhu, MS;Ray, KL;Ma, L;Zhang, DL
Addresses:
Bristol Myers Squibb Co, Res & Dev, POB 4000, Princeton, NJ 08543 USA
Bristol Myers Squibb Co, Res & Dev, Princeton, NJ 08543 USA


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KEYWORDS: METABOLITE IDENTIFICATION USING LIQUID CHROMATOGRAPHY/HYBRID QUADRUPOLE TIME-OF-FLIGHT MASS SPECTROMETRY; EARLY DRUG DISCOVERY USING HIGH-RESOLUTION LIQUID CHROMATOGRAPHY/QUADRUPOLE TIME-OF-FLIGHT MASS SPECTROMETRY.
[FRONT NUMBER HERE (2004-2010_2) (/; TT) (AUG 2010)]

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