메뉴 건너뛰기




Volumn 1374, Issue , 2014, Pages 1-13

Current state-of-the-art of nontargeted metabolomics based on liquid chromatography-mass spectrometry with special emphasis in clinical applications

Author keywords

LC MS; Metabolic profiling; Metabolite coverage; Metabolomics; Pseudo targeted method

Indexed keywords

BIOMOLECULES; DATA HANDLING; MASS SPECTROMETRY; METABOLISM; METABOLITES;

EID: 84916206432     PISSN: 00219673     EISSN: 18733778     Source Type: Journal    
DOI: 10.1016/j.chroma.2014.11.050     Document Type: Review
Times cited : (96)

References (201)
  • 2
    • 54549091125 scopus 로고    scopus 로고
    • Systems biology: metabonomics
    • Nicholson J.K., Lindon J.C. Systems biology: metabonomics. Nature 2008, 455:1054-1056.
    • (2008) Nature , vol.455 , pp. 1054-1056
    • Nicholson, J.K.1    Lindon, J.C.2
  • 3
    • 0032694577 scopus 로고    scopus 로고
    • '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. 'Metabonomics': understanding the metabolic responses of living systems to pathophysiological stimuli via multivariate statistical analysis of biological NMR spectroscopic data. Xenobiotica 1999, 29:1181-1189.
    • (1999) Xenobiotica , vol.29 , pp. 1181-1189
    • Nicholson, J.K.1    Lindon, J.C.2    Holmes, E.3
  • 5
    • 0043069547 scopus 로고    scopus 로고
    • Understanding 'global' systems biology: metabonomics and the continuum of metabolism
    • Nicholson J.K., Wilson I.D. Understanding 'global' systems biology: metabonomics and the continuum of metabolism. Nat. Rev. Drug Discov. 2003, 2:668-676.
    • (2003) Nat. Rev. Drug Discov. , vol.2 , pp. 668-676
    • Nicholson, J.K.1    Wilson, I.D.2
  • 6
    • 79957857701 scopus 로고    scopus 로고
    • Metabolic phenotyping for monitoring surgical patients
    • Kinross J.M., Holmes E., Darzi A.W., Nicholson J.K. Metabolic phenotyping for monitoring surgical patients. Lancet 2011, 377:1817-1819.
    • (2011) Lancet , vol.377 , pp. 1817-1819
    • Kinross, J.M.1    Holmes, E.2    Darzi, A.W.3    Nicholson, J.K.4
  • 7
    • 33750431077 scopus 로고    scopus 로고
    • Metabolomics as a functional genomic tool for understanding lipid dysfunction in diabetes, obesity and related disorders
    • Griffin J.L., Nicholls A.W. Metabolomics as a functional genomic tool for understanding lipid dysfunction in diabetes, obesity and related disorders. Pharmacogenomics 2006, 7:1095-1107.
    • (2006) Pharmacogenomics , vol.7 , pp. 1095-1107
    • Griffin, J.L.1    Nicholls, A.W.2
  • 8
    • 84455169596 scopus 로고    scopus 로고
    • Metabolomics in the study of kidney diseases
    • Weiss R.H., Kim K. Metabolomics in the study of kidney diseases. Nat. Rev. Nephrol. 2012, 8:22-33.
    • (2012) Nat. Rev. Nephrol. , vol.8 , pp. 22-33
    • Weiss, R.H.1    Kim, K.2
  • 9
    • 84893854125 scopus 로고    scopus 로고
    • Untargeted LC-MS metabolomics of bronchoalveolar lavage fluid differentiates acute respiratory distress syndrome from health
    • Evans C.R., Karnovsky A., Kovach M.A., Standiford T.J., Burant C.F., Stringer K.A. Untargeted LC-MS metabolomics of bronchoalveolar lavage fluid differentiates acute respiratory distress syndrome from health. J. Proteome Res. 2014, 13:640-649.
    • (2014) J. Proteome Res. , vol.13 , pp. 640-649
    • Evans, C.R.1    Karnovsky, A.2    Kovach, M.A.3    Standiford, T.J.4    Burant, C.F.5    Stringer, K.A.6
  • 12
    • 33750475205 scopus 로고    scopus 로고
    • Metabolomics-based systems biology and personalized medicine: moving towards n=1 clinical trials?
    • Van der Greef J., Hankemeier T., McBurney R.N. Metabolomics-based systems biology and personalized medicine: moving towards n=1 clinical trials?. Pharmacogenomics 2006, 7:1087-1094.
    • (2006) Pharmacogenomics , vol.7 , pp. 1087-1094
    • Van der Greef, J.1    Hankemeier, T.2    McBurney, R.N.3
  • 13
    • 35448982887 scopus 로고    scopus 로고
    • Metabonomics and global systems biology approaches to molecular diagnostics
    • Nicholson J. Metabonomics and global systems biology approaches to molecular diagnostics. Drug Metab. Rev. 2005, 37:10.
    • (2005) Drug Metab. Rev. , vol.37 , pp. 10
    • Nicholson, J.1
  • 15
    • 17444404226 scopus 로고    scopus 로고
    • 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. High resolution "ultra performance" liquid chromatography coupled to oa-TOF mass spectrometry as a tool for differential metabolic pathway profiling in functional genomic studies. J. Proteome Res. 2005, 4:591-598.
    • (2005) J. Proteome Res. , vol.4 , pp. 591-598
    • Wilson, I.D.1    Nicholson, J.K.2    Castro-Perez, J.3    Granger, J.H.4    Johnson, K.A.5    Smith, B.W.6    Plumb, R.S.7
  • 18
    • 68949157005 scopus 로고    scopus 로고
    • Mass spectrometry: from proteomics to metabolomics and lipidomics
    • Griffiths W.J., Wang Y. Mass spectrometry: from proteomics to metabolomics and lipidomics. Chem. Soc. Rev. 2009, 38:1882-1896.
    • (2009) Chem. Soc. Rev. , vol.38 , pp. 1882-1896
    • Griffiths, W.J.1    Wang, Y.2
  • 19
    • 78650186960 scopus 로고    scopus 로고
    • Mass spectrometry-based technologies for high-throughput metabolomics
    • Han J., Datla R., Chan S., Borchers C.H. Mass spectrometry-based technologies for high-throughput metabolomics. Bioanalysis 2009, 1:1665-1684.
    • (2009) Bioanalysis , vol.1 , pp. 1665-1684
    • Han, J.1    Datla, R.2    Chan, S.3    Borchers, C.H.4
  • 21
    • 84877306864 scopus 로고    scopus 로고
    • Metabolomics for tumor marker discovery and identification based on chromatography-mass spectrometry
    • Yin P., Xu G. Metabolomics for tumor marker discovery and identification based on chromatography-mass spectrometry. Expert Rev. Mol. Diagn. 2013, 13:339-348.
    • (2013) Expert Rev. Mol. Diagn. , vol.13 , pp. 339-348
    • Yin, P.1    Xu, G.2
  • 25
    • 84893490530 scopus 로고    scopus 로고
    • Quality markers addressing preanalytical variations of blood and plasma processing identified by broad and targeted metabolite profiling
    • Kamlage B., Maldonado S.G., Bethan B., Peter E., Schmitz O., Liebenberg V., Schatz P. Quality markers addressing preanalytical variations of blood and plasma processing identified by broad and targeted metabolite profiling. Clin. Chem. 2014, 60:399-412.
    • (2014) Clin. Chem. , vol.60 , pp. 399-412
    • Kamlage, B.1    Maldonado, S.G.2    Bethan, B.3    Peter, E.4    Schmitz, O.5    Liebenberg, V.6    Schatz, P.7
  • 27
    • 84874627920 scopus 로고    scopus 로고
    • Liquid chromatography-tandem mass spectrometry-based plasma metabonomics delineate the effect of metabolites' stability on reliability of potential biomarkers
    • Yang W., Chen Y., Xi C., Zhang R., Song Y., Zhan Q., Bi X., Abliz Z. Liquid chromatography-tandem mass spectrometry-based plasma metabonomics delineate the effect of metabolites' stability on reliability of potential biomarkers. Anal. Chem. 2013, 85:2606-2610.
    • (2013) Anal. Chem. , vol.85 , pp. 2606-2610
    • Yang, W.1    Chen, Y.2    Xi, C.3    Zhang, R.4    Song, Y.5    Zhan, Q.6    Bi, X.7    Abliz, Z.8
  • 29
    • 84861904853 scopus 로고    scopus 로고
    • LC-MS metabolomics of polar compounds
    • Rojo D., Barbas C., Ruperez F.J. LC-MS metabolomics of polar compounds. Bioanalysis 2012, 4:1235-1243.
    • (2012) Bioanalysis , vol.4 , pp. 1235-1243
    • Rojo, D.1    Barbas, C.2    Ruperez, F.J.3
  • 30
    • 45949087351 scopus 로고    scopus 로고
    • Hydrophilic interaction and reversed-phase ultra-performance liquid chromatography TOF-MS for metabonomic analysis of Zucker rat urine
    • Gika H.G., Theodoridis G.A., Wilson I.D. Hydrophilic interaction and reversed-phase ultra-performance liquid chromatography TOF-MS for metabonomic analysis of Zucker rat urine. J. Sep. Sci. 2008, 31:1598-1608.
    • (2008) J. Sep. Sci. , vol.31 , pp. 1598-1608
    • Gika, H.G.1    Theodoridis, G.A.2    Wilson, I.D.3
  • 32
    • 22544432520 scopus 로고    scopus 로고
    • Strategies for quantification and confirmation of multi-class polar pesticides and transformation products in water by LC-MS2 using triple quadrupole and hybrid quadrupole time-of-flight analyzers
    • Hernandez F., Pozo O.J., Sancho J.V., Lopez F.J., Marin J.M., Ibanez M. Strategies for quantification and confirmation of multi-class polar pesticides and transformation products in water by LC-MS2 using triple quadrupole and hybrid quadrupole time-of-flight analyzers. Trends Anal. Chem. 2005, 24:596-612.
    • (2005) Trends Anal. Chem. , vol.24 , pp. 596-612
    • Hernandez, F.1    Pozo, O.J.2    Sancho, J.V.3    Lopez, F.J.4    Marin, J.M.5    Ibanez, M.6
  • 33
    • 77951091722 scopus 로고    scopus 로고
    • Quantification of ceramide species in biological samples by liquid chromatography electrospray ionization tandem mass spectrometry
    • Kasumov T., Huang H., Chung Y.M., Zhang R., McCullough A.J., Kirwan J.P. Quantification of ceramide species in biological samples by liquid chromatography electrospray ionization tandem mass spectrometry. Anal. Biochem. 2010, 401:154-161.
    • (2010) Anal. Biochem. , vol.401 , pp. 154-161
    • Kasumov, T.1    Huang, H.2    Chung, Y.M.3    Zhang, R.4    McCullough, A.J.5    Kirwan, J.P.6
  • 34
    • 73549116102 scopus 로고    scopus 로고
    • Simultaneous eicosanoid profiling and identification by liquid chromatography and hybrid triple quadrupole-linear ion trap mass spectrometry for metabolomic studies in human plasma
    • Kortz L., Geyer R., Ludwig U., Planert M., Bruegel M., Leichtle A., Fiedler G.M., Thiery J., Ceglarek U. Simultaneous eicosanoid profiling and identification by liquid chromatography and hybrid triple quadrupole-linear ion trap mass spectrometry for metabolomic studies in human plasma. Med. Lab. (Stuttg.) 2009, 33:341-348.
    • (2009) Med. Lab. (Stuttg.) , vol.33 , pp. 341-348
    • Kortz, L.1    Geyer, R.2    Ludwig, U.3    Planert, M.4    Bruegel, M.5    Leichtle, A.6    Fiedler, G.M.7    Thiery, J.8    Ceglarek, U.9
  • 35
    • 36148968834 scopus 로고    scopus 로고
    • Evaluation of a protocol for metabolic profiling studies on human blood plasma by combined ultra-performance liquid chromatography/mass spectrometry: from extraction to data analysis
    • Bruce S.J., Jonsson P., Antti H., Cloarec O., Trygg J., Marklund S.L., Moritz T. Evaluation of a protocol for metabolic profiling studies on human blood plasma by combined ultra-performance liquid chromatography/mass spectrometry: from extraction to data analysis. Anal. Biochem. 2008, 372:237-249.
    • (2008) Anal. Biochem. , vol.372 , pp. 237-249
    • Bruce, S.J.1    Jonsson, P.2    Antti, H.3    Cloarec, O.4    Trygg, J.5    Marklund, S.L.6    Moritz, T.7
  • 37
    • 32444451016 scopus 로고    scopus 로고
    • 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. Solvent-dependent metabolite distribution, clustering, and protein extraction for serum profiling with mass spectrometry. Anal. Chem. 2006, 78:743-752.
    • (2006) Anal. Chem. , vol.78 , pp. 743-752
    • Want, E.J.1    O'Maille, G.2    Smith, C.A.3    Brandon, T.R.4    Uritboonthai, W.5    Qin, C.6    Trauger, S.A.7    Siuzdak, G.8
  • 38
    • 66149126908 scopus 로고    scopus 로고
    • Investigation of human blood plasma sample preparation for performing metabolomics using ultrahigh performance liquid chromatography/mass spectrometry
    • Bruce S.J., Tavazzi I., Parisod V., Rezzi S., Kochhar S., Guy P.A. Investigation of human blood plasma sample preparation for performing metabolomics using ultrahigh performance liquid chromatography/mass spectrometry. Anal. Chem. 2009, 81:3285-3296.
    • (2009) Anal. Chem. , vol.81 , pp. 3285-3296
    • Bruce, S.J.1    Tavazzi, I.2    Parisod, V.3    Rezzi, S.4    Kochhar, S.5    Guy, P.A.6
  • 41
    • 84889563620 scopus 로고    scopus 로고
    • Development of lipidomic platform and phosphatidylcholine retention time index for lipid profiling of rosuvastatin treated human plasma
    • Choi J.M., Kim T.E., Cho J.Y., Lee H.J., Jung B.H. Development of lipidomic platform and phosphatidylcholine retention time index for lipid profiling of rosuvastatin treated human plasma. J. Chromatogr. B: Analyt. Technol. Biomed. Life Sci. 2014, 944:157-165.
    • (2014) J. Chromatogr. B: Analyt. Technol. Biomed. Life Sci. , vol.944 , pp. 157-165
    • Choi, J.M.1    Kim, T.E.2    Cho, J.Y.3    Lee, H.J.4    Jung, B.H.5
  • 42
    • 84888365206 scopus 로고    scopus 로고
    • Multiplatform analytical methodology for metabolic fingerprinting of lung tissue
    • Naz S., Garcia A., Barbas C. Multiplatform analytical methodology for metabolic fingerprinting of lung tissue. Anal. Chem. 2013, 85:10941-10948.
    • (2013) Anal. Chem. , vol.85 , pp. 10941-10948
    • Naz, S.1    Garcia, A.2    Barbas, C.3
  • 43
    • 84899410319 scopus 로고    scopus 로고
    • Sample preparation and orthogonal chromatography for broad polarity range plasma metabolomics: application to human subjects with neurodegenerative dementia
    • Armirotti A., Basit A., Realini N., Caltagirone C., Bossu P., Spalletta G., Piomelli D. Sample preparation and orthogonal chromatography for broad polarity range plasma metabolomics: application to human subjects with neurodegenerative dementia. Anal. Biochem. 2014, 455:48-54.
    • (2014) Anal. Biochem. , vol.455 , pp. 48-54
    • Armirotti, A.1    Basit, A.2    Realini, N.3    Caltagirone, C.4    Bossu, P.5    Spalletta, G.6    Piomelli, D.7
  • 44
    • 84861230997 scopus 로고    scopus 로고
    • Current trends and challenges in sample preparation for global metabolomics using liquid chromatography-mass spectrometry
    • Vuckovic D. Current trends and challenges in sample preparation for global metabolomics using liquid chromatography-mass spectrometry. Anal. Bioanal. Chem. 2012, 403:1523-1548.
    • (2012) Anal. Bioanal. Chem. , vol.403 , pp. 1523-1548
    • Vuckovic, D.1
  • 45
    • 84879187429 scopus 로고    scopus 로고
    • Simultaneous extraction of metabolome and lipidome with methyl tert-butyl ether from a single small tissue sample for ultra-high performance liquid chromatography/mass spectrometry
    • Chen S., Hoene M., Li J., Li Y., Zhao X., Haring H.U., Schleicher E.D., Weigert C., Xu G., Lehmann R. Simultaneous extraction of metabolome and lipidome with methyl tert-butyl ether from a single small tissue sample for ultra-high performance liquid chromatography/mass spectrometry. J. Chromatogr. A 2013, 1298:9-16.
    • (2013) J. Chromatogr. A , vol.1298 , pp. 9-16
    • Chen, S.1    Hoene, M.2    Li, J.3    Li, Y.4    Zhao, X.5    Haring, H.U.6    Schleicher, E.D.7    Weigert, C.8    Xu, G.9    Lehmann, R.10
  • 46
    • 84881029206 scopus 로고    scopus 로고
    • In-vial dual extraction liquid chromatography coupled to mass spectrometry applied to streptozotocin-treated diabetic rats. Tips and pitfalls of the method
    • Godzien J., Ciborowski M., Whiley L., Legido-Quigley C., Ruperez F.J., Barbas C. In-vial dual extraction liquid chromatography coupled to mass spectrometry applied to streptozotocin-treated diabetic rats. Tips and pitfalls of the method. J. Chromatogr. A 2013, 1304:52-60.
    • (2013) J. Chromatogr. A , vol.1304 , pp. 52-60
    • Godzien, J.1    Ciborowski, M.2    Whiley, L.3    Legido-Quigley, C.4    Ruperez, F.J.5    Barbas, C.6
  • 47
    • 84879890387 scopus 로고    scopus 로고
    • New sample preparation approach for mass spectrometry-based profiling of plasma results in improved coverage of metabolome
    • Yang Y., Cruickshank C., Armstrong M., Mahaffey S., Reisdorph R., Reisdorph N. New sample preparation approach for mass spectrometry-based profiling of plasma results in improved coverage of metabolome. J. Chromatogr. A 2013, 1300:217-226.
    • (2013) J. Chromatogr. A , vol.1300 , pp. 217-226
    • Yang, Y.1    Cruickshank, C.2    Armstrong, M.3    Mahaffey, S.4    Reisdorph, R.5    Reisdorph, N.6
  • 48
    • 84890520793 scopus 로고    scopus 로고
    • Plasma lipidomic profiling method based on ultrasound extraction and liquid chromatography mass spectrometry
    • Pizarro C., Arenzana-Ramila I., Perez-del-Notario N., Perez-Matute P., Gonzalez-Saiz J.M. Plasma lipidomic profiling method based on ultrasound extraction and liquid chromatography mass spectrometry. Anal. Chem. 2013, 85:12085-12092.
    • (2013) Anal. Chem. , vol.85 , pp. 12085-12092
    • Pizarro, C.1    Arenzana-Ramila, I.2    Perez-del-Notario, N.3    Perez-Matute, P.4    Gonzalez-Saiz, J.M.5
  • 49
    • 84878352619 scopus 로고    scopus 로고
    • An improved high-throughput lipid extraction method for the analysis of human brain lipids
    • Abbott S.K., Jenner A.M., Mitchell T.W., Brown S.H., Halliday G.M., Garner B. An improved high-throughput lipid extraction method for the analysis of human brain lipids. Lipids 2013, 48:307-318.
    • (2013) Lipids , vol.48 , pp. 307-318
    • Abbott, S.K.1    Jenner, A.M.2    Mitchell, T.W.3    Brown, S.H.4    Halliday, G.M.5    Garner, B.6
  • 51
    • 65249146628 scopus 로고    scopus 로고
    • UPLC-MS-based analysis of human plasma for metabonomics using solvent precipitation or solid phase extraction
    • Michopoulos F., Lai L., Gika H., Theodoridis G., Wilson I. UPLC-MS-based analysis of human plasma for metabonomics using solvent precipitation or solid phase extraction. J. Proteome Res. 2009, 8:2114-2121.
    • (2009) J. Proteome Res. , vol.8 , pp. 2114-2121
    • Michopoulos, F.1    Lai, L.2    Gika, H.3    Theodoridis, G.4    Wilson, I.5
  • 52
    • 77953327494 scopus 로고    scopus 로고
    • Solid-phase microextraction in bioanalysis: new devices and directions
    • Vuckovic D., Zhang X., Cudjoe E., Pawliszyn J. Solid-phase microextraction in bioanalysis: new devices and directions. J. Chromatogr. A 2010, 1217:4041-4060.
    • (2010) J. Chromatogr. A , vol.1217 , pp. 4041-4060
    • Vuckovic, D.1    Zhang, X.2    Cudjoe, E.3    Pawliszyn, J.4
  • 53
  • 54
    • 79958248044 scopus 로고    scopus 로고
    • In vivo solid-phase microextraction in metabolomics: opportunities for the direct investigation of biological systems
    • Vuckovic D., Risticevic S., Pawliszyn J. In vivo solid-phase microextraction in metabolomics: opportunities for the direct investigation of biological systems. Angew. Chem. Int. Ed. Engl. 2011, 50:5618-5628.
    • (2011) Angew. Chem. Int. Ed. Engl. , vol.50 , pp. 5618-5628
    • Vuckovic, D.1    Risticevic, S.2    Pawliszyn, J.3
  • 56
    • 84870159484 scopus 로고    scopus 로고
    • In vivo solid-phase microextraction for tissue bioanalysis
    • Cudjoe E., Bojko B., Togunde P., Pawliszyn J. In vivo solid-phase microextraction for tissue bioanalysis. Bioanalysis 2012, 4:2605-2619.
    • (2012) Bioanalysis , vol.4 , pp. 2605-2619
    • Cudjoe, E.1    Bojko, B.2    Togunde, P.3    Pawliszyn, J.4
  • 57
    • 79954611180 scopus 로고    scopus 로고
    • Systematic evaluation of solid-phase microextraction coatings for untargeted metabolomic profiling of biological fluids by liquid chromatography-mass spectrometry
    • Vuckovic D., Pawliszyn J. Systematic evaluation of solid-phase microextraction coatings for untargeted metabolomic profiling of biological fluids by liquid chromatography-mass spectrometry. Anal. Chem. 2011, 83:1944-1954.
    • (2011) Anal. Chem. , vol.83 , pp. 1944-1954
    • Vuckovic, D.1    Pawliszyn, J.2
  • 60
    • 84866897165 scopus 로고    scopus 로고
    • Development of coatings for automated 96-blade solid phase microextraction-liquid chromatography-tandem mass spectrometry system, capable of extracting a wide polarity range of analytes from biological fluids
    • Mirnaghi F.S., Pawliszyn J. Development of coatings for automated 96-blade solid phase microextraction-liquid chromatography-tandem mass spectrometry system, capable of extracting a wide polarity range of analytes from biological fluids. J. Chromatogr. A 2012, 1261:91-98.
    • (2012) J. Chromatogr. A , vol.1261 , pp. 91-98
    • Mirnaghi, F.S.1    Pawliszyn, J.2
  • 61
    • 79960987740 scopus 로고    scopus 로고
    • Optimization of the coating procedure for a high-throughput 96-blade solid phase microextraction system coupled with LC-MS/MS for analysis of complex samples
    • Mirnaghi F.S., Chen Y., Sidisky L.M., Pawliszyn J. Optimization of the coating procedure for a high-throughput 96-blade solid phase microextraction system coupled with LC-MS/MS for analysis of complex samples. Anal. Chem. 2011, 83:6018-6025.
    • (2011) Anal. Chem. , vol.83 , pp. 6018-6025
    • Mirnaghi, F.S.1    Chen, Y.2    Sidisky, L.M.3    Pawliszyn, J.4
  • 62
    • 84898743291 scopus 로고    scopus 로고
    • Matrix effects in metabolite quantification for MIST assessment: the impact of phospholipid removal and HPLC column particle size
    • Danaceau J., Yu H., Chambers E., Fountain K.J. Matrix effects in metabolite quantification for MIST assessment: the impact of phospholipid removal and HPLC column particle size. Bioanalysis 2014, 6:761-771.
    • (2014) Bioanalysis , vol.6 , pp. 761-771
    • Danaceau, J.1    Yu, H.2    Chambers, E.3    Fountain, K.J.4
  • 63
    • 84859637251 scopus 로고    scopus 로고
    • Extraction methods for the removal of phospholipids and other endogenous material from a biological fluid
    • Michopoulos F., Edge A.M., Hui Y.T., Liddicoat T., Theodoridis G., Wilson I.D. Extraction methods for the removal of phospholipids and other endogenous material from a biological fluid. Bioanalysis 2011, 3:2747-2755.
    • (2011) Bioanalysis , vol.3 , pp. 2747-2755
    • Michopoulos, F.1    Edge, A.M.2    Hui, Y.T.3    Liddicoat, T.4    Theodoridis, G.5    Wilson, I.D.6
  • 64
    • 84859960927 scopus 로고    scopus 로고
    • Efficacy of plasma phospholipid removal during sample preparation and subsequent retention under typical UHPLC conditions
    • Neville D., Houghton R., Garrett S. Efficacy of plasma phospholipid removal during sample preparation and subsequent retention under typical UHPLC conditions. Bioanalysis 2012, 4:795-807.
    • (2012) Bioanalysis , vol.4 , pp. 795-807
    • Neville, D.1    Houghton, R.2    Garrett, S.3
  • 65
    • 70349321699 scopus 로고    scopus 로고
    • A metabonomic study of hepatitis B-induced liver cirrhosis and hepatocellular carcinoma by using RP-LC and HILIC coupled with mass spectrometry
    • Yin P., Wan D., Zhao C., Chen J., Zhao X., Wang W., Lu X., Yang S., Gu J., Xu G. A metabonomic study of hepatitis B-induced liver cirrhosis and hepatocellular carcinoma by using RP-LC and HILIC coupled with mass spectrometry. Mol. Biosyst. 2009, 5:868-876.
    • (2009) Mol. Biosyst. , vol.5 , pp. 868-876
    • Yin, P.1    Wan, D.2    Zhao, C.3    Chen, J.4    Zhao, X.5    Wang, W.6    Lu, X.7    Yang, S.8    Gu, J.9    Xu, G.10
  • 66
    • 45949098687 scopus 로고    scopus 로고
    • Simultaneous separation of hydrophilic and hydrophobic compounds by using an online HILIC-RPLC system with two detectors
    • Wang Y., Lu X., Xu G.W. Simultaneous separation of hydrophilic and hydrophobic compounds by using an online HILIC-RPLC system with two detectors. J. Sep. Sci. 2008, 31:1564-1572.
    • (2008) J. Sep. Sci. , vol.31 , pp. 1564-1572
    • Wang, Y.1    Lu, X.2    Xu, G.W.3
  • 67
    • 69249140995 scopus 로고    scopus 로고
    • Metabonomics study of liver cancer based on ultra performance liquid chromatography coupled to mass spectrometry with HILIC and RPLC separations
    • Chen J., Wang W., Lv S., Yin P., Zhao X., Lu X., Zhang F., Xu G. Metabonomics study of liver cancer based on ultra performance liquid chromatography coupled to mass spectrometry with HILIC and RPLC separations. Anal. Chim. Acta 2009, 650:3-9.
    • (2009) Anal. Chim. Acta , vol.650 , pp. 3-9
    • Chen, J.1    Wang, W.2    Lv, S.3    Yin, P.4    Zhao, X.5    Lu, X.6    Zhang, F.7    Xu, G.8
  • 72
    • 84877836297 scopus 로고    scopus 로고
    • Renal metabolic profiling of early renal injury and renoprotective effects of Poria cocos epidermis using UPLC Q-TOF/HSMS/MSE
    • Zhao Y.Y., Lei P., Chen D.Q., Feng Y.L., Bai X. Renal metabolic profiling of early renal injury and renoprotective effects of Poria cocos epidermis using UPLC Q-TOF/HSMS/MSE. J. Pharm. Biomed. Anal. 2013, 81-82:202-209.
    • (2013) J. Pharm. Biomed. Anal. , pp. 202-209
    • Zhao, Y.Y.1    Lei, P.2    Chen, D.Q.3    Feng, Y.L.4    Bai, X.5
  • 73
    • 84878278642 scopus 로고    scopus 로고
    • Ultra performance liquid chromatography-tandem mass spectrometry method for profiling of steroid metabolome in human tissue
    • Gaikwad N.W. Ultra performance liquid chromatography-tandem mass spectrometry method for profiling of steroid metabolome in human tissue. Anal. Chem. 2013, 85:4951-4960.
    • (2013) Anal. Chem. , vol.85 , pp. 4951-4960
    • Gaikwad, N.W.1
  • 74
    • 84883412017 scopus 로고    scopus 로고
    • Fasting serum lipid and dehydroepiandrosterone sulfate as important metabolites for detecting isolated postchallenge diabetes: serum metabolomics via ultra-high-performance LC-MS
    • Liu L., Wang M., Yang X., Bi M., Na L., Niu Y., Li Y., Sun C. Fasting serum lipid and dehydroepiandrosterone sulfate as important metabolites for detecting isolated postchallenge diabetes: serum metabolomics via ultra-high-performance LC-MS. Clin. Chem. 2013, 59:1338-1348.
    • (2013) Clin. Chem. , vol.59 , pp. 1338-1348
    • Liu, L.1    Wang, M.2    Yang, X.3    Bi, M.4    Na, L.5    Niu, Y.6    Li, Y.7    Sun, C.8
  • 75
    • 26444507780 scopus 로고    scopus 로고
    • Improving LC-MS sensitivity through increases in chromatographic performance: comparisons of UPLC-ES/MS/MS to HPLC-ES/MS/MS
    • Churchwell M.I., Twaddle N.C., Meeker L.R., Doerge D.R. Improving LC-MS sensitivity through increases in chromatographic performance: comparisons of UPLC-ES/MS/MS to HPLC-ES/MS/MS. J. Chromatogr. B: Analyt. Technol. Biomed. Life Sci. 2005, 825:134-143.
    • (2005) J. Chromatogr. B: Analyt. Technol. Biomed. Life Sci. , vol.825 , pp. 134-143
    • Churchwell, M.I.1    Twaddle, N.C.2    Meeker, L.R.3    Doerge, D.R.4
  • 76
    • 33646743247 scopus 로고    scopus 로고
    • Nonlinear data alignment for UPLC-MS and HPLC-MS based metabolomics: quantitative analysis of endogenous and exogenous metabolites in human serum
    • Nordstrom A., O'Maille G., Qin C., Siuzdak G. Nonlinear data alignment for UPLC-MS and HPLC-MS based metabolomics: quantitative analysis of endogenous and exogenous metabolites in human serum. Anal. Chem. 2006, 78:3289-3295.
    • (2006) Anal. Chem. , vol.78 , pp. 3289-3295
    • Nordstrom, A.1    O'Maille, G.2    Qin, C.3    Siuzdak, G.4
  • 77
    • 27644573435 scopus 로고    scopus 로고
    • Rational method development strategies on a fluorinated liquid chromatography stationary phase: mobile phase ion concentration and temperature effects on the separation of ephedrine alkaloids
    • Bell D.S., Cramer H.M., Jones A.D. Rational method development strategies on a fluorinated liquid chromatography stationary phase: mobile phase ion concentration and temperature effects on the separation of ephedrine alkaloids. J. Chromatogr. A 2005, 1095:113-118.
    • (2005) J. Chromatogr. A , vol.1095 , pp. 113-118
    • Bell, D.S.1    Cramer, H.M.2    Jones, A.D.3
  • 78
    • 79953712034 scopus 로고    scopus 로고
    • Advantages of tandem LC-MS for the rapid assessment of tissue-specific metabolic complexity using a pentafluorophenylpropyl stationary phase
    • Lv H.T., Palacios G., Hartil K., Kurland I.J. Advantages of tandem LC-MS for the rapid assessment of tissue-specific metabolic complexity using a pentafluorophenylpropyl stationary phase. J. Proteome Res. 2011, 10:2104-2112.
    • (2011) J. Proteome Res. , vol.10 , pp. 2104-2112
    • Lv, H.T.1    Palacios, G.2    Hartil, K.3    Kurland, I.J.4
  • 79
    • 84857054589 scopus 로고    scopus 로고
    • Fast liquid chromatography: the domination of core-shell and very fine particles
    • Fekete S., Olah E., Fekete J. Fast liquid chromatography: the domination of core-shell and very fine particles. J. Chromatogr. A 2012, 1228:57-71.
    • (2012) J. Chromatogr. A , vol.1228 , pp. 57-71
    • Fekete, S.1    Olah, E.2    Fekete, J.3
  • 82
    • 84901585699 scopus 로고    scopus 로고
    • Comprehensive and simultaneous coverage of lipid and polar metabolites for endogenous cellular metabolomics using HILIC-TOF-MS
    • Fei F., Bowdish D.M.E., McCarry B.E. Comprehensive and simultaneous coverage of lipid and polar metabolites for endogenous cellular metabolomics using HILIC-TOF-MS. Anal. Bioanal. Chem. 2014, 406:3723-3733.
    • (2014) Anal. Bioanal. Chem. , vol.406 , pp. 3723-3733
    • Fei, F.1    Bowdish, D.M.E.2    McCarry, B.E.3
  • 83
    • 77950811675 scopus 로고    scopus 로고
    • Hydrophilic interaction chromatography coupled to MS for metabonomic/metabolomic studies
    • Spagou K., Tsoukali H., Raikos N., Gika H., Wilson I.D., Theodoridis G. Hydrophilic interaction chromatography coupled to MS for metabonomic/metabolomic studies. J. Sep. Sci. 2010, 33:716-727.
    • (2010) J. Sep. Sci. , vol.33 , pp. 716-727
    • Spagou, K.1    Tsoukali, H.2    Raikos, N.3    Gika, H.4    Wilson, I.D.5    Theodoridis, G.6
  • 84
    • 84878333483 scopus 로고    scopus 로고
    • Optimization of harvesting, extraction, and analytical protocols for UPLC-ESI-MS-based metabolomic analysis of adherent mammalian cancer cells
    • Bi H., Krausz K.W., Manna S.K., Li F., Johnson C.H., Gonzalez F.J. Optimization of harvesting, extraction, and analytical protocols for UPLC-ESI-MS-based metabolomic analysis of adherent mammalian cancer cells. Anal. Bioanal. Chem. 2013, 405:5279-5289.
    • (2013) Anal. Bioanal. Chem. , vol.405 , pp. 5279-5289
    • Bi, H.1    Krausz, K.W.2    Manna, S.K.3    Li, F.4    Johnson, C.H.5    Gonzalez, F.J.6
  • 85
    • 84916208740 scopus 로고    scopus 로고
    • A comprehensive workflow of mass spectrometry-based untargeted metabolomics in cancer metabolic biomarker discovery using human plasma and urine
    • Zou W., She J., Tolstikov V.V. A comprehensive workflow of mass spectrometry-based untargeted metabolomics in cancer metabolic biomarker discovery using human plasma and urine. Metabolites 2013, 3:787-819.
    • (2013) Metabolites , vol.3 , pp. 787-819
    • Zou, W.1    She, J.2    Tolstikov, V.V.3
  • 86
    • 84879169165 scopus 로고    scopus 로고
    • Application of holistic liquid chromatography-high resolution mass spectrometry based urinary metabolomics for prostate cancer detection and biomarker discovery
    • Zhang T., Watson D.G., Wang L., Abbas M., Murdoch L., Bashford L., Ahmad I., Lam N.Y., Ng A.C., Leung H.Y. Application of holistic liquid chromatography-high resolution mass spectrometry based urinary metabolomics for prostate cancer detection and biomarker discovery. PLOS ONE 2013, 8:e65880.
    • (2013) PLOS ONE , vol.8 , pp. e65880
    • Zhang, T.1    Watson, D.G.2    Wang, L.3    Abbas, M.4    Murdoch, L.5    Bashford, L.6    Ahmad, I.7    Lam, N.Y.8    Ng, A.C.9    Leung, H.Y.10
  • 90
    • 84864935209 scopus 로고    scopus 로고
    • CE/LC-MS multiplatform for broad metabolomic analysis of dietary polyphenols effect on colon cancer cells proliferation
    • Ibanez C., Simo C., Garcia-Canas V., Gomez-Martinez A., Ferragut J.A., Cifuentes A. CE/LC-MS multiplatform for broad metabolomic analysis of dietary polyphenols effect on colon cancer cells proliferation. Electrophoresis 2012, 33:2328-2336.
    • (2012) Electrophoresis , vol.33 , pp. 2328-2336
    • Ibanez, C.1    Simo, C.2    Garcia-Canas, V.3    Gomez-Martinez, A.4    Ferragut, J.A.5    Cifuentes, A.6
  • 92
    • 84863422028 scopus 로고    scopus 로고
    • 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. Evaluation of coupling reversed phase, aqueous normal phase, and hydrophilic interaction liquid chromatography with Orbitrap mass spectrometry for metabolomic studies of human urine. Anal. Chem. 2012, 84:1994-2001.
    • (2012) Anal. Chem. , vol.84 , pp. 1994-2001
    • Zhang, T.1    Creek, D.J.2    Barrett, M.P.3    Blackburn, G.4    Watson, D.G.5
  • 93
    • 77950816809 scopus 로고    scopus 로고
    • Aqueous normal phase retention of nucleotides on silica hydride-based columns: method development strategies for analytes relevant in clinical analysis
    • Matyska M.T., Pesek J.J., Duley J., Zamzami M., Fischer S.M. Aqueous normal phase retention of nucleotides on silica hydride-based columns: method development strategies for analytes relevant in clinical analysis. J. Sep. Sci. 2010, 33:930-938.
    • (2010) J. Sep. Sci. , vol.33 , pp. 930-938
    • Matyska, M.T.1    Pesek, J.J.2    Duley, J.3    Zamzami, M.4    Fischer, S.M.5
  • 94
    • 84884710266 scopus 로고    scopus 로고
    • Ion exchange liquid chromatography method for the direct determination of small ribonucleic acids
    • McGinnis A.C., Cummings B.S., Bartlett M.G. Ion exchange liquid chromatography method for the direct determination of small ribonucleic acids. Anal. Chim. Acta 2013, 799:57-67.
    • (2013) Anal. Chim. Acta , vol.799 , pp. 57-67
    • McGinnis, A.C.1    Cummings, B.S.2    Bartlett, M.G.3
  • 95
    • 78349300605 scopus 로고    scopus 로고
    • Selectivity issues in targeted metabolomics: separation of phosphorylated carbohydrate isomers by mixed-mode hydrophilic interaction/weak anion exchange chromatography
    • Hinterwirth H., Lammerhofer M., Preinerstorfer B., Gargano A., Reischl R., Bicker W., Trapp O., Brecker L., Lindner W. Selectivity issues in targeted metabolomics: separation of phosphorylated carbohydrate isomers by mixed-mode hydrophilic interaction/weak anion exchange chromatography. J. Sep. Sci. 2010, 33:3273-3282.
    • (2010) J. Sep. Sci. , vol.33 , pp. 3273-3282
    • Hinterwirth, H.1    Lammerhofer, M.2    Preinerstorfer, B.3    Gargano, A.4    Reischl, R.5    Bicker, W.6    Trapp, O.7    Brecker, L.8    Lindner, W.9
  • 96
    • 84900035172 scopus 로고    scopus 로고
    • Recent developments in liquid-phase separation techniques for metabolomics
    • Ramautar R., de Jong G.J. Recent developments in liquid-phase separation techniques for metabolomics. Bioanalysis 2014, 6:1011-1026.
    • (2014) Bioanalysis , vol.6 , pp. 1011-1026
    • Ramautar, R.1    de Jong, G.J.2
  • 97
    • 78649905224 scopus 로고    scopus 로고
    • Two-dimensional liquid chromatography/mass spectrometry/mass spectrometry separation of water-soluble metabolites
    • Fairchild J.N., Horvath K., Gooding J.R., Campagna S.R., Guiochon G. Two-dimensional liquid chromatography/mass spectrometry/mass spectrometry separation of water-soluble metabolites. J. Chromatogr. A 2010, 1217:8161-8166.
    • (2010) J. Chromatogr. A , vol.1217 , pp. 8161-8166
    • Fairchild, J.N.1    Horvath, K.2    Gooding, J.R.3    Campagna, S.R.4    Guiochon, G.5
  • 98
    • 33744966081 scopus 로고    scopus 로고
    • A protocol for designing comprehensive two-dimensional liquid chromatography separation systems
    • Schoenmakers P.J., Vivo-Truyols G., Decrop W.M. A protocol for designing comprehensive two-dimensional liquid chromatography separation systems. J. Chromatogr. A 2006, 1120:282-290.
    • (2006) J. Chromatogr. A , vol.1120 , pp. 282-290
    • Schoenmakers, P.J.1    Vivo-Truyols, G.2    Decrop, W.M.3
  • 99
    • 80054867634 scopus 로고    scopus 로고
    • Factors that affect quantification of diode array data in comprehensive two-dimensional liquid chromatography using chemometric data analysis
    • Bailey H.P., Rutan S.C., Carr P.W. Factors that affect quantification of diode array data in comprehensive two-dimensional liquid chromatography using chemometric data analysis. J. Chromatogr. A 2011, 1218:8411-8422.
    • (2011) J. Chromatogr. A , vol.1218 , pp. 8411-8422
    • Bailey, H.P.1    Rutan, S.C.2    Carr, P.W.3
  • 100
    • 45249120387 scopus 로고    scopus 로고
    • Metabonomics study on the effects of the ginsenoside Rg3 in a beta-cyclodextrin-based formulation on tumor-bearing rats by a fully automatic hydrophilic interaction/reversed-phase column-switching HPLC-ESI-MS approach
    • Wang Y., Wang J., Yao M., Zhao X., Fritsche J., Schmitt-Kopplin P., Cai Z., Wan D., Lu X., Yang S., Gu J., Haring H.U., Schleicher E.D., Lehmann R., Xu G. Metabonomics study on the effects of the ginsenoside Rg3 in a beta-cyclodextrin-based formulation on tumor-bearing rats by a fully automatic hydrophilic interaction/reversed-phase column-switching HPLC-ESI-MS approach. Anal. Chem. 2008, 80:4680-4688.
    • (2008) Anal. Chem. , vol.80 , pp. 4680-4688
    • Wang, Y.1    Wang, J.2    Yao, M.3    Zhao, X.4    Fritsche, J.5    Schmitt-Kopplin, P.6    Cai, Z.7    Wan, D.8    Lu, X.9    Yang, S.10    Gu, J.11    Haring, H.U.12    Schleicher, E.D.13    Lehmann, R.14    Xu, G.15
  • 103
    • 84888039352 scopus 로고    scopus 로고
    • A novel stop-flow two-dimensional liquid chromatography-mass spectrometry method for lipid analysis
    • Wang S., Li J., Shi X., Qiao L., Lu X., Xu G. A novel stop-flow two-dimensional liquid chromatography-mass spectrometry method for lipid analysis. J. Chromatogr. A 2013, 1321:65-72.
    • (2013) J. Chromatogr. A , vol.1321 , pp. 65-72
    • Wang, S.1    Li, J.2    Shi, X.3    Qiao, L.4    Lu, X.5    Xu, G.6
  • 104
    • 84873078545 scopus 로고    scopus 로고
    • Stop-flow comprehensive two-dimensional liquid chromatography combined with mass spectrometric detection for phospholipid analysis
    • Dugo P., Fawzy N., Cichello F., Cacciola F., Donato P., Mondello L. Stop-flow comprehensive two-dimensional liquid chromatography combined with mass spectrometric detection for phospholipid analysis. J. Chromatogr. A 2013, 1278:46-53.
    • (2013) J. Chromatogr. A , vol.1278 , pp. 46-53
    • Dugo, P.1    Fawzy, N.2    Cichello, F.3    Cacciola, F.4    Donato, P.5    Mondello, L.6
  • 105
    • 84857047144 scopus 로고    scopus 로고
    • Selective comprehensive multi-dimensional separation for resolution enhancement in high performance liquid chromatography. Part I: Principles and instrumentation
    • Groskreutz S.R., Swenson M.M., Secor L.B., Stoll D.R. Selective comprehensive multi-dimensional separation for resolution enhancement in high performance liquid chromatography. Part I: Principles and instrumentation. J. Chromatogr. A 2012, 1228:31-40.
    • (2012) J. Chromatogr. A , vol.1228 , pp. 31-40
    • Groskreutz, S.R.1    Swenson, M.M.2    Secor, L.B.3    Stoll, D.R.4
  • 106
    • 84899802271 scopus 로고    scopus 로고
    • Quantitative metabolite profiling utilizing parallel column analysis for simultaneous reversed-phase and hydrophilic interaction liquid chromatography separations combined with tandem mass spectrometry
    • Klavins K., Drexler H., Hann S., Koellensperger G. Quantitative metabolite profiling utilizing parallel column analysis for simultaneous reversed-phase and hydrophilic interaction liquid chromatography separations combined with tandem mass spectrometry. Anal. Chem. 2014, 10.1021/ac5003454.
    • (2014) Anal. Chem.
    • Klavins, K.1    Drexler, H.2    Hann, S.3    Koellensperger, G.4
  • 107
    • 33644896212 scopus 로고    scopus 로고
    • The role of mass spectrometry in plant systems biology
    • Glinski M., Weckwerth W. The role of mass spectrometry in plant systems biology. Mass Spectrom. Rev. 2006, 25:173-214.
    • (2006) Mass Spectrom. Rev. , vol.25 , pp. 173-214
    • Glinski, M.1    Weckwerth, W.2
  • 108
    • 84877122175 scopus 로고    scopus 로고
    • Liquid chromatography-mass spectrometry in metabolomics research: mass analyzers in ultra high pressure liquid chromatography coupling
    • Forcisi S., Moritz F., Kanawati B., Tziotis D., Lehmann R., Schmitt-Kopplin P. Liquid chromatography-mass spectrometry in metabolomics research: mass analyzers in ultra high pressure liquid chromatography coupling. J. Chromatogr. A 2013, 1292:51-65.
    • (2013) J. Chromatogr. A , vol.1292 , pp. 51-65
    • Forcisi, S.1    Moritz, F.2    Kanawati, B.3    Tziotis, D.4    Lehmann, R.5    Schmitt-Kopplin, P.6
  • 109
    • 84903731487 scopus 로고    scopus 로고
    • Metabolomics study of hepatocellular carcinoma: discovery and validation of serum potential biomarkers by using capillary electrophoresis-mass spectrometry
    • Zeng J., Yin P., Tan Y., Dong L., Hu C., Huang Q., Lu X., Wang H., Xu G. Metabolomics study of hepatocellular carcinoma: discovery and validation of serum potential biomarkers by using capillary electrophoresis-mass spectrometry. J. Proteome Res. 2014, 13:3420-3431.
    • (2014) J. Proteome Res. , vol.13 , pp. 3420-3431
    • Zeng, J.1    Yin, P.2    Tan, Y.3    Dong, L.4    Hu, C.5    Huang, Q.6    Lu, X.7    Wang, H.8    Xu, G.9
  • 112
    • 84865158500 scopus 로고    scopus 로고
    • In situ metabolomic mass spectrometry imaging: recent advances and difficulties
    • Miura D., Fujimura Y., Wariishi H. In situ metabolomic mass spectrometry imaging: recent advances and difficulties. J. Proteomics 2012, 75:5052-5060.
    • (2012) J. Proteomics , vol.75 , pp. 5052-5060
    • Miura, D.1    Fujimura, Y.2    Wariishi, H.3
  • 113
    • 84859107186 scopus 로고    scopus 로고
    • High-resolution mass spectrometry for integrated qualitative and quantitative analysis of pharmaceuticals in biological matrices
    • Hopfgartner G., Tonoli D., Varesio E. High-resolution mass spectrometry for integrated qualitative and quantitative analysis of pharmaceuticals in biological matrices. Anal. Bioanal. Chem. 2012, 402:2587-2596.
    • (2012) Anal. Bioanal. Chem. , vol.402 , pp. 2587-2596
    • Hopfgartner, G.1    Tonoli, D.2    Varesio, E.3
  • 114
    • 84938587585 scopus 로고    scopus 로고
    • Nontargeted SWATH acquisition for identifying 47 synthetic cannabinoid metabolites in human urine by liquid chromatography-high-resolution tandem mass spectrometry
    • Scheidweiler K.B., Jarvis M.J., Huestis M.A. Nontargeted SWATH acquisition for identifying 47 synthetic cannabinoid metabolites in human urine by liquid chromatography-high-resolution tandem mass spectrometry. Anal. Bioanal. Chem. 2014, 10.1007/s00216-014-8118-8.
    • (2014) Anal. Bioanal. Chem.
    • Scheidweiler, K.B.1    Jarvis, M.J.2    Huestis, M.A.3
  • 115
    • 84892759900 scopus 로고    scopus 로고
    • Comparison of information-dependent acquisition, SWATH, and MS(All) techniques in metabolite identification study employing ultrahigh-performance liquid chromatography-quadrupole time-of-flight mass spectrometry
    • Zhu X., Chen Y., Subramanian R. Comparison of information-dependent acquisition, SWATH, and MS(All) techniques in metabolite identification study employing ultrahigh-performance liquid chromatography-quadrupole time-of-flight mass spectrometry. Anal. Chem. 2014, 86:1202-1209.
    • (2014) Anal. Chem. , vol.86 , pp. 1202-1209
    • Zhu, X.1    Chen, Y.2    Subramanian, R.3
  • 116
    • 84860352139 scopus 로고    scopus 로고
    • A positive/negative ion-switching, targeted mass spectrometry-based metabolomics platform for bodily fluids, cells, and fresh and fixed tissue
    • Yuan M., Breitkopf S.B., Yang X., Asara J.M. A positive/negative ion-switching, targeted mass spectrometry-based metabolomics platform for bodily fluids, cells, and fresh and fixed tissue. Nat. Protoc. 2012, 7:872-881.
    • (2012) Nat. Protoc. , vol.7 , pp. 872-881
    • Yuan, M.1    Breitkopf, S.B.2    Yang, X.3    Asara, J.M.4
  • 119
    • 84883486388 scopus 로고    scopus 로고
    • Pseudotargeted metabolomics method and its application in serum biomarker discovery for hepatocellular carcinoma based on ultra high-performance liquid chromatography/triple quadrupole mass spectrometry
    • Chen S., Kong H., Lu X., Li Y., Yin P., Zeng Z., Xu G. Pseudotargeted metabolomics method and its application in serum biomarker discovery for hepatocellular carcinoma based on ultra high-performance liquid chromatography/triple quadrupole mass spectrometry. Anal. Chem. 2013, 85:8326-8333.
    • (2013) Anal. Chem. , vol.85 , pp. 8326-8333
    • Chen, S.1    Kong, H.2    Lu, X.3    Li, Y.4    Yin, P.5    Zeng, Z.6    Xu, G.7
  • 120
    • 57249091714 scopus 로고    scopus 로고
    • Orbitrap mass spectrometry: instrumentation, ion motion and applications
    • Perry R.H., Cooks R.G., Noll R.J. Orbitrap mass spectrometry: instrumentation, ion motion and applications. Mass Spectrom. Rev. 2008, 27:661-699.
    • (2008) Mass Spectrom. Rev. , vol.27 , pp. 661-699
    • Perry, R.H.1    Cooks, R.G.2    Noll, R.J.3
  • 121
    • 80054756992 scopus 로고    scopus 로고
    • Semi-targeted analysis of metabolites using capillary-flow ion chromatography coupled to high-resolution mass spectrometry
    • Burgess K., Creek D., Dewsbury P., Cook K., Barrett M.P. Semi-targeted analysis of metabolites using capillary-flow ion chromatography coupled to high-resolution mass spectrometry. Rapid Commun. Mass Spectrom. 2011, 25:3447-3452.
    • (2011) Rapid Commun. Mass Spectrom. , vol.25 , pp. 3447-3452
    • Burgess, K.1    Creek, D.2    Dewsbury, P.3    Cook, K.4    Barrett, M.P.5
  • 122
    • 84901276774 scopus 로고    scopus 로고
    • Metabolomic profiling of anionic metabolites in head and neck cancer cells by capillary ion chromatography with Orbitrap mass spectrometry
    • Wang J., Christison T.T., Misuno K., Lopez L., Huhmer A.F., Huang Y., Hu S. Metabolomic profiling of anionic metabolites in head and neck cancer cells by capillary ion chromatography with Orbitrap mass spectrometry. Anal. Chem. 2014, 86:5116-5124.
    • (2014) Anal. Chem. , vol.86 , pp. 5116-5124
    • Wang, J.1    Christison, T.T.2    Misuno, K.3    Lopez, L.4    Huhmer, A.F.5    Huang, Y.6    Hu, S.7
  • 123
    • 84908503823 scopus 로고    scopus 로고
    • High resolution mass spectrometry based techniques at the crossroads of metabolic pathways
    • Junot C., Fenaille F., Colsch B., Becher F. High resolution mass spectrometry based techniques at the crossroads of metabolic pathways. Mass Spectrom. Rev. 2014, 33:471-500.
    • (2014) Mass Spectrom. Rev. , vol.33 , pp. 471-500
    • Junot, C.1    Fenaille, F.2    Colsch, B.3    Becher, F.4
  • 124
    • 84877102868 scopus 로고    scopus 로고
    • Ultra-high pressure liquid chromatography-mass spectrometry for plant metabolomics: a systematic comparison of high-resolution quadrupole-time-of-flight and single stage Orbitrap mass spectrometers
    • Glauser G., Veyrat N., Rochat B., Wolfender J.L., Turlings T.C. Ultra-high pressure liquid chromatography-mass spectrometry for plant metabolomics: a systematic comparison of high-resolution quadrupole-time-of-flight and single stage Orbitrap mass spectrometers. J. Chromatogr. A 2013, 1292:151-159.
    • (2013) J. Chromatogr. A , vol.1292 , pp. 151-159
    • Glauser, G.1    Veyrat, N.2    Rochat, B.3    Wolfender, J.L.4    Turlings, T.C.5
  • 125
    • 84897476036 scopus 로고    scopus 로고
    • A nano ultra-performance liquid chromatography-high resolution mass spectrometry approach for global metabolomic profiling and case study on drug-resistant multiple myeloma
    • Jones D.R., Wu Z., Chauhan D., Anderson K.C., Peng J. A nano ultra-performance liquid chromatography-high resolution mass spectrometry approach for global metabolomic profiling and case study on drug-resistant multiple myeloma. Anal. Chem. 2014, 86:3667-3675.
    • (2014) Anal. Chem. , vol.86 , pp. 3667-3675
    • Jones, D.R.1    Wu, Z.2    Chauhan, D.3    Anderson, K.C.4    Peng, J.5
  • 126
    • 66149192291 scopus 로고    scopus 로고
    • High-resolution extracted ion chromatography, a new tool for metabolomics and lipidomics using a second-generation orbitrap mass spectrometer
    • Koulman A., Woffendin G., Narayana V.K., Welchman H., Crone C., Volmer D.A. High-resolution extracted ion chromatography, a new tool for metabolomics and lipidomics using a second-generation orbitrap mass spectrometer. Rapid Commun. Mass Spectrom. 2009, 23:1411-1418.
    • (2009) Rapid Commun. Mass Spectrom. , vol.23 , pp. 1411-1418
    • Koulman, A.1    Woffendin, G.2    Narayana, V.K.3    Welchman, H.4    Crone, C.5    Volmer, D.A.6
  • 127
    • 84894264194 scopus 로고    scopus 로고
    • Development and quantitative evaluation of a high-resolution metabolomics technology
    • Liu X., Ser Z., Locasale J.W. Development and quantitative evaluation of a high-resolution metabolomics technology. Anal. Chem. 2014, 86:2175-2184.
    • (2014) Anal. Chem. , vol.86 , pp. 2175-2184
    • Liu, X.1    Ser, Z.2    Locasale, J.W.3
  • 129
    • 84916214513 scopus 로고    scopus 로고
    • High-resolution accurate mass-measurements and metabolite identification: an automated approach using fragment prediction in combination with fragment ion search (FISh)
    • Wank J., Wagner-Redeker W., Taylor A., Herbold R.L., Lassahn P.G. High-resolution accurate mass-measurements and metabolite identification: an automated approach using fragment prediction in combination with fragment ion search (FISh). Drug Metab. Rev. 2011, 43:150.
    • (2011) Drug Metab. Rev. , vol.43 , pp. 150
    • Wank, J.1    Wagner-Redeker, W.2    Taylor, A.3    Herbold, R.L.4    Lassahn, P.G.5
  • 130
    • 84877819528 scopus 로고    scopus 로고
    • Targeted analysis with benchtop quadrupole-orbitrap hybrid mass spectrometer: application to determination of synthetic hormones in animal urine
    • Kumar P., Rubies A., Centrich F., Granados M., Cortes-Francisco N., Caixach J., Companyo R. Targeted analysis with benchtop quadrupole-orbitrap hybrid mass spectrometer: application to determination of synthetic hormones in animal urine. Anal. Chim. Acta 2013, 780:65-73.
    • (2013) Anal. Chim. Acta , vol.780 , pp. 65-73
    • Kumar, P.1    Rubies, A.2    Centrich, F.3    Granados, M.4    Cortes-Francisco, N.5    Caixach, J.6    Companyo, R.7
  • 131
    • 66149094266 scopus 로고    scopus 로고
    • 13C-isotope dansylation labeling and fast liquid chromatography/mass spectrometry for absolute and relative quantification of the metabolome
    • 13C-isotope dansylation labeling and fast liquid chromatography/mass spectrometry for absolute and relative quantification of the metabolome. Anal. Chem. 2009, 81:3919-3932.
    • (2009) Anal. Chem. , vol.81 , pp. 3919-3932
    • Guo, K.1    Li, L.2
  • 132
    • 34547180334 scopus 로고    scopus 로고
    • Enhancement of the LC/MS analysis of fatty acids through derivatization and stable isotope coding
    • Yang W.C., Adamec J., Regnier F.E. Enhancement of the LC/MS analysis of fatty acids through derivatization and stable isotope coding. Anal. Chem. 2007, 79:5150-5157.
    • (2007) Anal. Chem. , vol.79 , pp. 5150-5157
    • Yang, W.C.1    Adamec, J.2    Regnier, F.E.3
  • 133
    • 84870502195 scopus 로고    scopus 로고
    • Comprehensive and highly sensitive urinary steroid hormone profiling method based on stable isotope-labeling liquid chromatography-mass spectrometry
    • Dai W., Huang Q., Yin P., Li J., Zhou J., Kong H., Zhao C., Lu X., Xu G. Comprehensive and highly sensitive urinary steroid hormone profiling method based on stable isotope-labeling liquid chromatography-mass spectrometry. Anal. Chem. 2012, 84:10245-10251.
    • (2012) Anal. Chem. , vol.84 , pp. 10245-10251
    • Dai, W.1    Huang, Q.2    Yin, P.3    Li, J.4    Zhou, J.5    Kong, H.6    Zhao, C.7    Lu, X.8    Xu, G.9
  • 134
    • 33745685246 scopus 로고    scopus 로고
    • Enhancement of amino acid detection and quantification by electrospray ionization mass spectrometry
    • Yang W.C., Mirzaei H., Liu X., Regnier F.E. Enhancement of amino acid detection and quantification by electrospray ionization mass spectrometry. Anal. Chem. 2006, 78:4702-4708.
    • (2006) Anal. Chem. , vol.78 , pp. 4702-4708
    • Yang, W.C.1    Mirzaei, H.2    Liu, X.3    Regnier, F.E.4
  • 135
    • 36448966459 scopus 로고    scopus 로고
    • Stable-isotope dimethylation labeling combined with LC-ESI MS for quantification of amine-containing metabolites in biological samples
    • Guo K., Ji C., Li L. Stable-isotope dimethylation labeling combined with LC-ESI MS for quantification of amine-containing metabolites in biological samples. Anal. Chem. 2007, 79:8631-8638.
    • (2007) Anal. Chem. , vol.79 , pp. 8631-8638
    • Guo, K.1    Ji, C.2    Li, L.3
  • 136
    • 84878679541 scopus 로고    scopus 로고
    • Stable isotope coded derivatizing reagents as internal standards in metabolite profiling
    • Bruheim P., Kvitvang H.F., Villas-Boas S.G. Stable isotope coded derivatizing reagents as internal standards in metabolite profiling. J. Chromatogr. A 2013, 1296:196-203.
    • (2013) J. Chromatogr. A , vol.1296 , pp. 196-203
    • Bruheim, P.1    Kvitvang, H.F.2    Villas-Boas, S.G.3
  • 137
    • 84889040799 scopus 로고    scopus 로고
    • 5-Diethylamino-naphthalene-1-sulfonyl chloride (DensCl): a novel triplex isotope labeling reagent for quantitative metabolome analysis by liquid chromatography mass spectrometry
    • Zhou R., Guo K., Li L. 5-Diethylamino-naphthalene-1-sulfonyl chloride (DensCl): a novel triplex isotope labeling reagent for quantitative metabolome analysis by liquid chromatography mass spectrometry. Anal. Chem. 2013, 85:11532-11539.
    • (2013) Anal. Chem. , vol.85 , pp. 11532-11539
    • Zhou, R.1    Guo, K.2    Li, L.3
  • 138
    • 79952494274 scopus 로고    scopus 로고
    • 12C-isotope dansylation labeling combined with liquid chromatography Fourier transform ion cyclotron resonance mass spectrometry
    • 12C-isotope dansylation labeling combined with liquid chromatography Fourier transform ion cyclotron resonance mass spectrometry. J. Am. Soc. Mass Spectrom. 2011, 22:339-347.
    • (2011) J. Am. Soc. Mass Spectrom. , vol.22 , pp. 339-347
    • Guo, K.1    Bamforth, F.2    Li, L.3
  • 139
    • 78049517394 scopus 로고    scopus 로고
    • High-performance isotope labeling for profiling carboxylic acid-containing metabolites in biofluids by mass spectrometry
    • Guo K., Li L. High-performance isotope labeling for profiling carboxylic acid-containing metabolites in biofluids by mass spectrometry. Anal. Chem. 2010, 82:8789-8793.
    • (2010) Anal. Chem. , vol.82 , pp. 8789-8793
    • Guo, K.1    Li, L.2
  • 141
    • 84885059209 scopus 로고    scopus 로고
    • Targeted and untargeted phytochemistry of Ligusticum canbyi: indoleamines, phthalides, antioxidant potential, and use of metabolomics as a hypothesis-generating technique for compound discovery
    • Turi C.E., Murch S.J. Targeted and untargeted phytochemistry of Ligusticum canbyi: indoleamines, phthalides, antioxidant potential, and use of metabolomics as a hypothesis-generating technique for compound discovery. Planta Med. 2013, 79:1370-1379.
    • (2013) Planta Med. , vol.79 , pp. 1370-1379
    • Turi, C.E.1    Murch, S.J.2
  • 144
    • 37549027670 scopus 로고    scopus 로고
    • Enrichment tags for enhanced-resolution profiling of the polar metabolome
    • Carlson E.E., Cravatt B.F. Enrichment tags for enhanced-resolution profiling of the polar metabolome. J. Am. Chem. Soc. 2007, 129:15780-15782.
    • (2007) J. Am. Chem. Soc. , vol.129 , pp. 15780-15782
    • Carlson, E.E.1    Cravatt, B.F.2
  • 145
    • 34250164588 scopus 로고    scopus 로고
    • Chemoselective probes for metabolite enrichment and profiling
    • Carlson E.E., Cravatt B.F. Chemoselective probes for metabolite enrichment and profiling. Nat. Methods 2007, 4:429-435.
    • (2007) Nat. Methods , vol.4 , pp. 429-435
    • Carlson, E.E.1    Cravatt, B.F.2
  • 146
    • 84867341623 scopus 로고    scopus 로고
    • The importance of experimental design and QC samples in large-scale and MS-driven untargeted metabolomic studies of humans
    • Dunn W.B., Wilson I.D., Nicholls A.W., Broadhurst D. The importance of experimental design and QC samples in large-scale and MS-driven untargeted metabolomic studies of humans. Bioanalysis 2012, 4:2249-2264.
    • (2012) Bioanalysis , vol.4 , pp. 2249-2264
    • Dunn, W.B.1    Wilson, I.D.2    Nicholls, A.W.3    Broadhurst, D.4
  • 147
    • 70449354965 scopus 로고    scopus 로고
    • Analytical error reduction using single point calibration for accurate and precise metabolomic phenotyping
    • van der Kloet F.M., Bobeldijk I., Verheij E.R., Jellema R.H. Analytical error reduction using single point calibration for accurate and precise metabolomic phenotyping. J. Proteome Res. 2009, 8:5132-5141.
    • (2009) J. Proteome Res. , vol.8 , pp. 5132-5141
    • van der Kloet, F.M.1    Bobeldijk, I.2    Verheij, E.R.3    Jellema, R.H.4
  • 148
    • 72549095180 scopus 로고    scopus 로고
    • Chemometrics in metabolomics - a review in human disease diagnosis
    • Madsen R., Lundstedt T., Trygg J. Chemometrics in metabolomics - a review in human disease diagnosis. Anal. Chim. Acta 2010, 659:23-33.
    • (2010) Anal. Chim. Acta , vol.659 , pp. 23-33
    • Madsen, R.1    Lundstedt, T.2    Trygg, J.3
  • 150
    • 77953585789 scopus 로고    scopus 로고
    • Challenges in applying chemometrics to LC-MS-based global metabolite profile data
    • Want E. Challenges in applying chemometrics to LC-MS-based global metabolite profile data. Bioanalysis 2009, 1:805-819.
    • (2009) Bioanalysis , vol.1 , pp. 805-819
    • Want, E.1
  • 151
    • 84916228533 scopus 로고    scopus 로고
    • Statistical analysis and modeling of mass spectrometry-based metabolomics data
    • Xi B., Gu H., Baniasadi H., Raftery D. Statistical analysis and modeling of mass spectrometry-based metabolomics data. Methods Mol. Biol. 2014, 1198:333-353.
    • (2014) Methods Mol. Biol. , vol.1198 , pp. 333-353
    • Xi, B.1    Gu, H.2    Baniasadi, H.3    Raftery, D.4
  • 152
    • 84889567618 scopus 로고    scopus 로고
    • Current practice of liquid chromatography-mass spectrometry in metabolomics and metabonomics
    • Gika H.G., Theodoridis G.A., Plumb R.S., Wilson I.D. Current practice of liquid chromatography-mass spectrometry in metabolomics and metabonomics. J. Pharm. Biomed. Anal. 2014, 87:12-25.
    • (2014) J. Pharm. Biomed. Anal. , vol.87 , pp. 12-25
    • Gika, H.G.1    Theodoridis, G.A.2    Plumb, R.S.3    Wilson, I.D.4
  • 153
    • 84884982446 scopus 로고    scopus 로고
    • From numbers to a biological sense: how the strategy chosen for metabolomics data treatment may affect final results. A practical example based on urine fingerprints obtained by LC-MS
    • Godzien J., Ciborowski M., Angulo S., Barbas C. From numbers to a biological sense: how the strategy chosen for metabolomics data treatment may affect final results. A practical example based on urine fingerprints obtained by LC-MS. Electrophoresis 2013, 34:2812-2826.
    • (2013) Electrophoresis , vol.34 , pp. 2812-2826
    • Godzien, J.1    Ciborowski, M.2    Angulo, S.3    Barbas, C.4
  • 155
    • 84861860997 scopus 로고    scopus 로고
    • Retention time alignment of LC/MS data by a divide-and-conquer algorithm
    • Zhang Z. Retention time alignment of LC/MS data by a divide-and-conquer algorithm. J. Am. Soc. Mass Spectrom. 2012, 23:764-772.
    • (2012) J. Am. Soc. Mass Spectrom. , vol.23 , pp. 764-772
    • Zhang, Z.1
  • 156
    • 77954772536 scopus 로고    scopus 로고
    • MZmine 2: modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data
    • Pluskal T., Castillo S., Villar-Briones A., Oresic M. MZmine 2: modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data. BMC Bioinform. 2010, 11:395.
    • (2010) BMC Bioinform. , vol.11 , pp. 395
    • Pluskal, T.1    Castillo, S.2    Villar-Briones, A.3    Oresic, M.4
  • 157
    • 32444446805 scopus 로고    scopus 로고
    • XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification
    • Smith C.A., Want E.J., O'Maille G., Abagyan R., Siuzdak G. XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification. Anal. Chem. 2006, 78:779-787.
    • (2006) Anal. Chem. , vol.78 , pp. 779-787
    • Smith, C.A.1    Want, E.J.2    O'Maille, G.3    Abagyan, R.4    Siuzdak, G.5
  • 158
    • 84855402302 scopus 로고    scopus 로고
    • CAMERA: an integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets
    • Kuhl C., Tautenhahn R., Bottcher C., Larson T.R., Neumann S. CAMERA: an integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets. Anal. Chem. 2012, 84:283-289.
    • (2012) Anal. Chem. , vol.84 , pp. 283-289
    • Kuhl, C.1    Tautenhahn, R.2    Bottcher, C.3    Larson, T.R.4    Neumann, S.5
  • 159
    • 84857865811 scopus 로고    scopus 로고
    • MetExtract: a new software tool for the automated comprehensive extraction of metabolite-derived LC/MS signals in metabolomics research
    • Bueschl C., Kluger B., Berthiller F., Lirk G., Winkler S., Krska R., Schuhmacher R. MetExtract: a new software tool for the automated comprehensive extraction of metabolite-derived LC/MS signals in metabolomics research. Bioinformatics 2012, 28:736-738.
    • (2012) Bioinformatics , vol.28 , pp. 736-738
    • Bueschl, C.1    Kluger, B.2    Berthiller, F.3    Lirk, G.4    Winkler, S.5    Krska, R.6    Schuhmacher, R.7
  • 162
    • 34347405493 scopus 로고    scopus 로고
    • Data processing for mass spectrometry-based metabolomics
    • Katajamaa M., Oresic M. Data processing for mass spectrometry-based metabolomics. J. Chromatogr. A 2007, 1158:318-328.
    • (2007) J. Chromatogr. A , vol.1158 , pp. 318-328
    • Katajamaa, M.1    Oresic, M.2
  • 163
    • 84898883962 scopus 로고    scopus 로고
    • Ion fusion of high-resolution LC-MS-based metabolomics data to discover more reliable biomarkers
    • Zeng Z., Liu X., Dai W., Yin P., Zhou L., Huang Q., Lin X., Xu G. Ion fusion of high-resolution LC-MS-based metabolomics data to discover more reliable biomarkers. Anal. Chem. 2014, 86:3793-3800.
    • (2014) Anal. Chem. , vol.86 , pp. 3793-3800
    • Zeng, Z.1    Liu, X.2    Dai, W.3    Yin, P.4    Zhou, L.5    Huang, Q.6    Lin, X.7    Xu, G.8
  • 164
    • 84895905265 scopus 로고    scopus 로고
    • Introducing the concept of centergram. A new tool to squeeze data from separation techniques-mass spectrometry couplings
    • Erny G.L., Simó C., Cifuentes A., Esteves V.I. Introducing the concept of centergram. A new tool to squeeze data from separation techniques-mass spectrometry couplings. J. Chromatogr. A 2014, 1330:89-96.
    • (2014) J. Chromatogr. A , vol.1330 , pp. 89-96
    • Erny, G.L.1    Simó, C.2    Cifuentes, A.3    Esteves, V.I.4
  • 168
    • 38549095644 scopus 로고    scopus 로고
    • 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
    • Schnackenberg L.K., Sun J., Espandiari P., Holland R.D., Hanig J., Beger R.D. 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. BMC Bioinform. 2007, 8(Suppl. 7):S3.
    • (2007) BMC Bioinform. , vol.8 , pp. S3
    • Schnackenberg, L.K.1    Sun, J.2    Espandiari, P.3    Holland, R.D.4    Hanig, J.5    Beger, R.D.6
  • 169
    • 84882633228 scopus 로고    scopus 로고
    • Combination of injection volume calibration by creatinine and MS signals' normalization to overcome urine variability in LC-MS-based metabolomics studies
    • Chen Y., Shen G., Zhang R., He J., Zhang Y., Xu J., Yang W., Chen X., Song Y., Abliz Z. Combination of injection volume calibration by creatinine and MS signals' normalization to overcome urine variability in LC-MS-based metabolomics studies. Anal. Chem. 2013, 85:7659-7665.
    • (2013) Anal. Chem. , vol.85 , pp. 7659-7665
    • Chen, Y.1    Shen, G.2    Zhang, R.3    He, J.4    Zhang, Y.5    Xu, J.6    Yang, W.7    Chen, X.8    Song, Y.9    Abliz, Z.10
  • 171
    • 84906704735 scopus 로고    scopus 로고
    • Application of chemometric techniques in search of clinically applicable biomarkers of disease
    • Kotlowska A. Application of chemometric techniques in search of clinically applicable biomarkers of disease. Drug Dev. Res. 2014, 75:283-290.
    • (2014) Drug Dev. Res. , vol.75 , pp. 283-290
    • Kotlowska, A.1
  • 172
    • 84873388502 scopus 로고    scopus 로고
    • Investigation of the human brain metabolome to identify potential markers for early diagnosis and therapeutic targets of Alzheimer's disease
    • Graham S.F., Chevallier O.P., Roberts D., Holscher C., Elliott C.T., Green B.D. Investigation of the human brain metabolome to identify potential markers for early diagnosis and therapeutic targets of Alzheimer's disease. Anal. Chem. 2013, 85:1803-1811.
    • (2013) Anal. Chem. , vol.85 , pp. 1803-1811
    • Graham, S.F.1    Chevallier, O.P.2    Roberts, D.3    Holscher, C.4    Elliott, C.T.5    Green, B.D.6
  • 173
    • 84870695041 scopus 로고    scopus 로고
    • Utilities for quantifying separation in PCA/PLS-DA scores plots
    • Worley B., Halouska S., Powers R. Utilities for quantifying separation in PCA/PLS-DA scores plots. Anal. Biochem. 2013, 433:102-104.
    • (2013) Anal. Biochem. , vol.433 , pp. 102-104
    • Worley, B.1    Halouska, S.2    Powers, R.3
  • 174
    • 84901018651 scopus 로고    scopus 로고
    • A comparative investigation of modern feature selection and classification approaches for the analysis of mass spectrometry data
    • Gromski P.S., Xu Y., Correa E., Ellis D.I., Turner M.L., Goodacre R. A comparative investigation of modern feature selection and classification approaches for the analysis of mass spectrometry data. Anal. Chim. Acta 2014, 829:1-8.
    • (2014) Anal. Chim. Acta , vol.829 , pp. 1-8
    • Gromski, P.S.1    Xu, Y.2    Correa, E.3    Ellis, D.I.4    Turner, M.L.5    Goodacre, R.6
  • 176
    • 68349157474 scopus 로고    scopus 로고
    • The validation and assessment of machine learning: a game of prediction from high-dimensional data
    • Pers T.H., Albrechtsen A., Holst C., Sorensen T.I.A., Gerds T.A. The validation and assessment of machine learning: a game of prediction from high-dimensional data. PLoS ONE 2009, 4:e6287.
    • (2009) PLoS ONE , vol.4 , pp. e6287
    • Pers, T.H.1    Albrechtsen, A.2    Holst, C.3    Sorensen, T.I.A.4    Gerds, T.A.5
  • 177
    • 80054018310 scopus 로고    scopus 로고
    • A method for handling metabonomics data from liquid chromatography/mass spectrometry: combinational use of support vector machine recursive feature elimination, genetic algorithm and random forest for feature selection
    • Lin X.H., Wang Q.C., Yin P.Y., Tang L., Tan Y.X., Li H., Yan K., Xu G.W. A method for handling metabonomics data from liquid chromatography/mass spectrometry: combinational use of support vector machine recursive feature elimination, genetic algorithm and random forest for feature selection. Metabolomics 2011, 7:549-558.
    • (2011) Metabolomics , vol.7 , pp. 549-558
    • Lin, X.H.1    Wang, Q.C.2    Yin, P.Y.3    Tang, L.4    Tan, Y.X.5    Li, H.6    Yan, K.7    Xu, G.W.8
  • 178
    • 33748468414 scopus 로고    scopus 로고
    • Metabolomics technology and bioinformatics
    • Shulaev V. Metabolomics technology and bioinformatics. Brief. Bioinform. 2006, 7:128-139.
    • (2006) Brief. Bioinform. , vol.7 , pp. 128-139
    • Shulaev, V.1
  • 179
    • 84885922460 scopus 로고    scopus 로고
    • A guideline to univariate statistical analysis for LC/MS-based untargeted metabolomics-derived data
    • Vinaixa M., Samino S., Saez I., Duran J., Guinovart J.J., Yanes O. A guideline to univariate statistical analysis for LC/MS-based untargeted metabolomics-derived data. Metabolites 2012, 2:775-795.
    • (2012) Metabolites , vol.2 , pp. 775-795
    • Vinaixa, M.1    Samino, S.2    Saez, I.3    Duran, J.4    Guinovart, J.J.5    Yanes, O.6
  • 180
    • 41749086199 scopus 로고    scopus 로고
    • Effects of dependence in high-dimensional multiple testing problems
    • Kim K.I., van de Wiel M.A. Effects of dependence in high-dimensional multiple testing problems. BMC Bioinform. 2008, 9:114.
    • (2008) BMC Bioinform. , vol.9 , pp. 114
    • Kim, K.I.1    van de Wiel, M.A.2
  • 182
    • 84919499855 scopus 로고    scopus 로고
    • Early pregnancy metabolite profiling discovers a potential biomarker for the subsequent development of gestational diabetes mellitus
    • de Seymour J.V., Conlon C.A., Sulek K., Villas Boas S.G., McCowan L.M., Kenny L.C., Baker P.N. Early pregnancy metabolite profiling discovers a potential biomarker for the subsequent development of gestational diabetes mellitus. Acta Diabetol. 2014, 51:887-890.
    • (2014) Acta Diabetol. , vol.51 , pp. 887-890
    • de Seymour, J.V.1    Conlon, C.A.2    Sulek, K.3    Villas Boas, S.G.4    McCowan, L.M.5    Kenny, L.C.6    Baker, P.N.7
  • 183
    • 79956159637 scopus 로고    scopus 로고
    • Urine metabolomic analysis identifies potential biomarkers and pathogenic pathways in kidney cancer
    • Kim K., Taylor S.L., Ganti S., Guo L., Osier M.V., Weiss R.H. Urine metabolomic analysis identifies potential biomarkers and pathogenic pathways in kidney cancer. OMICS 2011, 15:293-303.
    • (2011) OMICS , vol.15 , pp. 293-303
    • Kim, K.1    Taylor, S.L.2    Ganti, S.3    Guo, L.4    Osier, M.V.5    Weiss, R.H.6
  • 184
    • 70450014840 scopus 로고    scopus 로고
    • Variability analysis of human plasma and cerebral spinal fluid reveals statistical significance of changes in mass spectrometry-based metabolomics data
    • Crews B., Wikoff W.R., Patti G.J., Woo H.-K., Kalisiak E., Heideker J., Siuzdak G. Variability analysis of human plasma and cerebral spinal fluid reveals statistical significance of changes in mass spectrometry-based metabolomics data. Anal. Chem. 2009, 81:8538-8544.
    • (2009) Anal. Chem. , vol.81 , pp. 8538-8544
    • Crews, B.1    Wikoff, W.R.2    Patti, G.J.3    Woo, H.-K.4    Kalisiak, E.5    Heideker, J.6    Siuzdak, G.7
  • 185
    • 84875123279 scopus 로고    scopus 로고
    • Liquid chromatography quadrupole time-of-flight mass spectrometry characterization of metabolites guided by the METLIN database
    • Zhu Z.J., Schultz A.W., Wang J., Johnson C.H., Yannone S.M., Patti G.J., Siuzdak G. Liquid chromatography quadrupole time-of-flight mass spectrometry characterization of metabolites guided by the METLIN database. Nat. Protoc. 2013, 8:451-460.
    • (2013) Nat. Protoc. , vol.8 , pp. 451-460
    • Zhu, Z.J.1    Schultz, A.W.2    Wang, J.3    Johnson, C.H.4    Yannone, S.M.5    Patti, G.J.6    Siuzdak, G.7
  • 187
    • 84905717267 scopus 로고    scopus 로고
    • Enhanced detection and identification in metabolomics by use of LC-MS/MS untargeted analysis in combination with gas-phase fractionation
    • Calderon-Santiago M., Priego-Capote F., Luque de Castro M.D. Enhanced detection and identification in metabolomics by use of LC-MS/MS untargeted analysis in combination with gas-phase fractionation. Anal. Chem. 2014, 86:7558-7565.
    • (2014) Anal. Chem. , vol.86 , pp. 7558-7565
    • Calderon-Santiago, M.1    Priego-Capote, F.2    Luque de Castro, M.D.3
  • 188
    • 39449129263 scopus 로고    scopus 로고
    • Practical approach for the identification and isomer elucidation of biomarkers detected in a metabonomic study for the discovery of individuals at risk for diabetes by integrating the chromatographic and mass spectrometric information
    • Chen J., Zhao X., Fritsche J., Yin P., Schmitt-Kopplin P., Wang W., Lu X., Häring H.U., Schleicher E.D., Lehmann R. Practical approach for the identification and isomer elucidation of biomarkers detected in a metabonomic study for the discovery of individuals at risk for diabetes by integrating the chromatographic and mass spectrometric information. Anal. Chem. 2008, 80:1280-1289.
    • (2008) Anal. Chem. , vol.80 , pp. 1280-1289
    • Chen, J.1    Zhao, X.2    Fritsche, J.3    Yin, P.4    Schmitt-Kopplin, P.5    Wang, W.6    Lu, X.7    Häring, H.U.8    Schleicher, E.D.9    Lehmann, R.10
  • 189
    • 84888325497 scopus 로고    scopus 로고
    • RAMSY: ratio analysis of mass spectrometry to improve compound identification
    • Gu H., Gowda G.A., Neto F.C., Opp M.R., Raftery D. RAMSY: ratio analysis of mass spectrometry to improve compound identification. Anal. Chem. 2013, 85:10771-10779.
    • (2013) Anal. Chem. , vol.85 , pp. 10771-10779
    • Gu, H.1    Gowda, G.A.2    Neto, F.C.3    Opp, M.R.4    Raftery, D.5
  • 190
    • 67849104638 scopus 로고    scopus 로고
    • PubChem: a public information system for analyzing bioactivities of small molecules
    • Wang Y., Xiao J., Suzek T.O., Zhang J., Wang J., Bryant S.H. PubChem: a public information system for analyzing bioactivities of small molecules. Nucleic Acids Res. 2009, 37:W623-W633.
    • (2009) Nucleic Acids Res. , vol.37 , pp. W623-W633
    • Wang, Y.1    Xiao, J.2    Suzek, T.O.3    Zhang, J.4    Wang, J.5    Bryant, S.H.6
  • 193
    • 84555188306 scopus 로고    scopus 로고
    • The KEGG databases and tools facilitating omics analysis: latest developments involving human diseases and pharmaceuticals
    • Kotera M., Hirakawa M., Tokimatsu T., Goto S., Kanehisa M. The KEGG databases and tools facilitating omics analysis: latest developments involving human diseases and pharmaceuticals. Methods Mol. Biol. 2012, 802:19-39.
    • (2012) Methods Mol. Biol. , vol.802 , pp. 19-39
    • Kotera, M.1    Hirakawa, M.2    Tokimatsu, T.3    Goto, S.4    Kanehisa, M.5
  • 199
    • 84897480978 scopus 로고    scopus 로고
    • PEP search in MyCompoundID: detection and identification of dipeptides and tripeptides using dimethyl labeling and hydrophilic interaction liquid chromatography tandem mass spectrometry
    • Tang Y., Li R., Lin G., Li L. PEP search in MyCompoundID: detection and identification of dipeptides and tripeptides using dimethyl labeling and hydrophilic interaction liquid chromatography tandem mass spectrometry. Anal. Chem. 2014, 86:3568-3574.
    • (2014) Anal. Chem. , vol.86 , pp. 3568-3574
    • Tang, Y.1    Li, R.2    Lin, G.3    Li, L.4
  • 200
    • 84901269837 scopus 로고    scopus 로고
    • IsoMS: automated processing of LC-MS data generated by a chemical isotope labeling metabolomics platform
    • Zhou R., Tseng C.L., Huan T., Li L. IsoMS: automated processing of LC-MS data generated by a chemical isotope labeling metabolomics platform. Anal. Chem. 2014, 86:4675-4679.
    • (2014) Anal. Chem. , vol.86 , pp. 4675-4679
    • Zhou, R.1    Tseng, C.L.2    Huan, T.3    Li, L.4
  • 201
    • 84882681487 scopus 로고    scopus 로고
    • An untargeted metabolomic workflow to improve structural characterization of metabolites
    • Nikolskiy I., Mahieu N.G., Chen Y.J., Tautenhahn R., Patti G.J. An untargeted metabolomic workflow to improve structural characterization of metabolites. Anal. Chem. 2013, 85:7713-7719.
    • (2013) Anal. Chem. , vol.85 , pp. 7713-7719
    • Nikolskiy, I.1    Mahieu, N.G.2    Chen, Y.J.3    Tautenhahn, R.4    Patti, G.J.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.