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Volumn 8, Issue 3, 2013, Pages 451-460

Liquid chromatography quadrupole time-of-flight mass spectrometry characterization of metabolites guided by the METLIN database

Author keywords

[No Author keywords available]

Indexed keywords

ALLOPURINOL; CHEMICAL COMPOUND; DEXTRO LEVO ERYTHRONIC ACID; DEXTRO THREONIC ACID; ERYTHRONIC ACID; HYPOXANTHINE; THREONATE; THREONIC ACID; UNCLASSIFIED DRUG;

EID: 84875123279     PISSN: 17542189     EISSN: 17502799     Source Type: Journal    
DOI: 10.1038/nprot.2013.004     Document Type: Article
Times cited : (383)

References (53)
  • 1
    • 79953733693 scopus 로고    scopus 로고
    • Gut flora metabolism of phosphatidylcholine promotes cardiovascular disease
    • Wang, Z. et al. Gut flora metabolism of phosphatidylcholine promotes cardiovascular disease. Nature 472, 57-63 (2011).
    • (2011) Nature , vol.472 , pp. 57-63
    • Wang, Z.1
  • 2
    • 36649020263 scopus 로고    scopus 로고
    • Metabolomics identifies perturbations in human disorders of propionate metabolism
    • Wikoff, W.R., Gangoiti, J.A., Barshop, B.A. & Siuzdak, G. Metabolomics identifies perturbations in human disorders of propionate metabolism. Clin. Chem. 53, 2169-2176 (2007).
    • (2007) Clin. Chem. , vol.53 , pp. 2169-2176
    • Wikoff, W.R.1    Gangoiti, J.A.2    Barshop, B.A.3    Siuzdak, G.4
  • 3
    • 62649151803 scopus 로고    scopus 로고
    • Metabolomics analysis reveals large effects of gut microflora on mammalian blood metabolites
    • Wikoff, W.R. et al. Metabolomics analysis reveals large effects of gut microflora on mammalian blood metabolites. Proc. Natl Acad. Sci. USA. 106, 3698-3703 (2009).
    • (2009) Proc. Natl Acad. Sci. USA. , vol.106 , pp. 3698-3703
    • Wikoff, W.R.1
  • 4
    • 69249147435 scopus 로고    scopus 로고
    • Regulation of alkyl-dihydrothiazole-carboxylates (ATCs) by iron and the Pyochelin gene cluster in Pseudomonas aeruginosa
    • Vinayavekhin, N. & Saghatelian, A. Regulation of alkyl- dihydrothiazole-carboxylates (ATCs) by iron and the Pyochelin gene cluster in Pseudomonas aeruginosa. ACS Chem. Biol. 4, 617-623 (2009).
    • (2009) ACS Chem. Biol. , vol.4 , pp. 617-623
    • Vinayavekhin, N.1    Saghatelian, A.2
  • 5
    • 62649105337 scopus 로고    scopus 로고
    • Identification of a new endogenous metabolite and the characterization of its protein interactions through an immobilization approach
    • Kalisiak, J. et al. Identification of a new endogenous metabolite and the characterization of its protein interactions through an immobilization approach. J. Am. Chem. Soc. 131, 378-386 (2008).
    • (2008) J. Am. Chem. Soc. , vol.131 , pp. 378-386
    • Kalisiak, J.1
  • 6
    • 67650173425 scopus 로고    scopus 로고
    • Identification of chlorogenic acid as a resistance factor for thrips in Chrysanthemum
    • Leiss, K.A., Maltese, F., Choi, Y.H., Verpoorte, R. & Klinkhamer, P.G.L. Identification of chlorogenic acid as a resistance factor for thrips in Chrysanthemum. Plant Physiol. 150, 1567-1575 (2009).
    • (2009) Plant Physiol , vol.150 , pp. 1567-1575
    • Leiss, K.A.1    Maltese, F.2    Choi, Y.H.3    Verpoorte, R.4    Klinkhamer, P.G.L.5
  • 7
    • 8144230574 scopus 로고    scopus 로고
    • Discrimination of modes of action of antifungal substances by use of metabolic footprinting
    • Allen, J. et al. Discrimination of modes of action of antifungal substances by use of metabolic footprinting. Appl. Environ. Microbiol. 70, 6157-6165 (2004).
    • (2004) Appl. Environ. Microbiol. , vol.70 , pp. 6157-6165
    • Allen, J.1
  • 8
    • 70149096873 scopus 로고    scopus 로고
    • Pharmacometabonomic identification of a significant host-microbiome metabolic interaction affecting human drug metabolism
    • Clayton, T.A., Baker, D., Lindon, J.C., Everett, J.R. & Nicholson, J.K. Pharmacometabonomic identification of a significant host-microbiome metabolic interaction affecting human drug metabolism. Proc. Natl Acad. Sci. USA 106, 14728-14733 (2009).
    • (2009) Proc. Natl Acad. Sci. USA , vol.106 , pp. 14728-14733
    • Clayton, T.A.1    Baker, D.2    Lindon, J.C.3    Everett, J.R.4    Nicholson, J.K.5
  • 9
    • 73349091531 scopus 로고    scopus 로고
    • Two-dimensional J-resolved NMR spectroscopy: Review of a key methodology in the metabolomics toolbox
    • Ludwig, C. & Viant, M.R. Two-dimensional J-resolved NMR spectroscopy: review of a key methodology in the metabolomics toolbox. Phytochem. Anal. 21, 22-32 (2010).
    • (2010) Phytochem. Anal. , vol.21 , pp. 22-32
    • Ludwig, C.1    Viant, M.R.2
  • 10
    • 72249116728 scopus 로고    scopus 로고
    • NMR metabolomics and drug discovery
    • Powers, R. NMR metabolomics and drug discovery. Magn. Reson. Chem. 47, S2-S11 (2009).
    • (2009) Magn. Reson. Chem. , vol.47
    • Powers, R.1
  • 12
    • 79960384696 scopus 로고    scopus 로고
    • Mass spectrometry strategies in metabolomics
    • Lei, Z., Huhman, D. & Sumner, L.W. Mass spectrometry strategies in metabolomics. J. Biol. Chem. 286, 25435-25442 (2011).
    • (2011) J. Biol. Chem. , vol.286 , pp. 25435-25442
    • Lei, Z.1    Huhman, D.2    Sumner, L.W.3
  • 13
    • 77957583419 scopus 로고    scopus 로고
    • Analytical platform for metabolome analysis of microbial cells using methyl chloroformate derivatization followed by gas chromatography-mass spectrometry
    • Smart, K.F., Aggio, R.B.M., Van Houtte, J.R. & Villas-Boas, S.G. Analytical platform for metabolome analysis of microbial cells using methyl chloroformate derivatization followed by gas chromatography-mass spectrometry. Nat. Protoc. 5, 1709-1729 (2010).
    • (2010) Nat. Protoc. , vol.5 , pp. 1709-1729
    • Smart, K.F.1    Aggio, R.B.M.2    Van Houtte, J.R.3    Villas-Boas, S.G.4
  • 14
    • 79959913950 scopus 로고    scopus 로고
    • Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry
    • Dunn, W.B. et al. Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry. Nat. Protoc. 6, 1060-1083 (2011).
    • (2011) Nat. Protoc. , vol.6 , pp. 1060-1083
    • Dunn, W.B.1
  • 15
    • 80053427408 scopus 로고    scopus 로고
    • Global urinary metabolic profiling procedures using gas chromatography-mass spectrometry
    • Chan, E.C.Y., Pasikanti, K.K. & Nicholson, J.K. Global urinary metabolic profiling procedures using gas chromatography-mass spectrometry. Nat. Protoc. 6, 1483-1499 (2011).
    • (2011) Nat. Protoc. , vol.6 , pp. 1483-1499
    • Chan, E.C.Y.1    Pasikanti, K.K.2    Nicholson, J.K.3
  • 16
    • 0033757963 scopus 로고    scopus 로고
    • Metabolite profiling for plant functional genomics
    • Fiehn, O. et al. Metabolite profiling for plant functional genomics. Nat. Biotechnol. 18, 1157-1161 (2000).
    • (2000) Nat. Biotechnol. , vol.18 , pp. 1157-1161
    • Fiehn, O.1
  • 17
    • 34250720628 scopus 로고    scopus 로고
    • Development of a database of gas chromatographic retention properties of organic compounds
    • Babushok, V.I. et al. Development of a database of gas chromatographic retention properties of organic compounds. J. Chromatogr. A 1157, 414-421 (2007).
    • (2007) J. Chromatogr. A , vol.1157 , pp. 414-421
    • Babushok, V.I.1
  • 18
    • 72449186517 scopus 로고    scopus 로고
    • FiehnLib: Mass spectral and retention index libraries for metabolomics based on quadrupole and time-of-flight gas chromatography/mass spectrometry
    • Kind, T. et al. FiehnLib: mass spectral and retention index libraries for metabolomics based on quadrupole and time-of-flight gas chromatography/mass spectrometry. Anal. Chem. 81, 10038-10048 (2009).
    • (2009) Anal. Chem. , vol.81 , pp. 10038-10048
    • Kind, T.1
  • 19
    • 71649089762 scopus 로고    scopus 로고
    • Multiorigination of chromatographic peaks in derivatized GC/MS metabolomics: A confounder that influences metabolic pathway interpretation
    • Xu, F., Zou, L. & Ong, C.N. Multiorigination of chromatographic peaks in derivatized GC/MS metabolomics: a confounder that influences metabolic pathway interpretation. J. Proteome Res. 8, 5657-5665 (2009).
    • (2009) J. Proteome Res. , vol.8 , pp. 5657-5665
    • Xu, F.1    Zou, L.2    Ong, C.N.3
  • 20
    • 38349103941 scopus 로고    scopus 로고
    • Multiple ionization mass spectrometry strategy used to reveal the complexity of metabolomics
    • Nordstrom, A., Want, E., Northen, T., Lehtio, J. & Siuzdak, G. Multiple ionization mass spectrometry strategy used to reveal the complexity of metabolomics. Anal. Chem. 80, 421-429 (2007).
    • (2007) Anal. Chem. , vol.80 , pp. 421-429
    • Nordstrom, A.1    Want, E.2    Northen, T.3    Lehtio, J.4    Siuzdak, G.5
  • 21
    • 48949102784 scopus 로고    scopus 로고
    • The human cerebrospinal fluid metabolome
    • Wishart, D.S. et al. The human cerebrospinal fluid metabolome. J. Chromatogr. B 871, 164-173 (2008).
    • (2008) J. Chromatogr. B , vol.871 , pp. 164-173
    • Wishart, D.S.1
  • 22
    • 48749132804 scopus 로고    scopus 로고
    • Analytical strategies for LC-MS-based targeted metabolomics
    • Lu, W., Bennett, B.D. & Rabinowitz, J.D. Analytical strategies for LC-MS-based targeted metabolomics. J. Chromatogr. B 871, 236-242 (2008).
    • (2008) J. Chromatogr. B , vol.871 , pp. 236-242
    • Lu, W.1    Bennett, B.D.2    Rabinowitz, J.D.3
  • 23
    • 77952091681 scopus 로고    scopus 로고
    • Lipidomic analysis of variation in response to simvastatin in the Cholesterol and Pharmacogenetics Study
    • Kaddurah-Daouk, R. et al. Lipidomic analysis of variation in response to simvastatin in the Cholesterol and Pharmacogenetics Study. Metabolomics 6, 191-201 (2010).
    • (2010) Metabolomics , vol.6 , pp. 191-201
    • Kaddurah-Daouk, R.1
  • 25
    • 79953314279 scopus 로고    scopus 로고
    • Radiation metabolomics. 4. UPLC-ESI-QTOFMS-based metabolomics for urinary biomarker discovery in γ-irradiated rats
    • Johnson, C.H. et al. Radiation metabolomics. 4. UPLC-ESI-QTOFMS-based metabolomics for urinary biomarker discovery in γ-irradiated rats. Radiat. Res. 175, 473-484 (2011).
    • (2011) Radiat. Res. , vol.175 , pp. 473-484
    • Johnson, C.H.1
  • 26
    • 84863617024 scopus 로고    scopus 로고
    • Metabolomics reveals amino acids contribute to variation in response to simvastatin treatment
    • Trupp, M. et al. Metabolomics reveals amino acids contribute to variation in response to simvastatin treatment. PLoS ONE 7, e38386 (2012).
    • (2012) PLoS ONE , vol.7
    • Trupp, M.1
  • 27
    • 67650400646 scopus 로고    scopus 로고
    • Response and recovery in the plasma metabolome tracks the acute LCMV-induced immune response
    • Wikoff, W.R., Kalisak, E., Trauger, S., Manchester, M. & Siuzdak, G. Response and recovery in the plasma metabolome tracks the acute LCMV-induced immune response. J. Proteome Res. 8, 3578-3587 (2009).
    • (2009) J. Proteome Res. , vol.8 , pp. 3578-3587
    • Wikoff, W.R.1    Kalisak, E.2    Trauger, S.3    Manchester, M.4    Siuzdak, G.5
  • 28
    • 84855490988 scopus 로고    scopus 로고
    • The metabolome of induced pluripotent stem cells reveals metabolic changes occurring in somatic cell reprogramming
    • Panopoulos, A.D. et al. The metabolome of induced pluripotent stem cells reveals metabolic changes occurring in somatic cell reprogramming. Cell Res. 22, 168-177 (2012).
    • (2012) Cell Res , vol.22 , pp. 168-177
    • Panopoulos, A.D.1
  • 29
    • 77952545479 scopus 로고    scopus 로고
    • Metabolic oxidation regulates embryonic stem cell differentiation
    • Yanes, O. et al. Metabolic oxidation regulates embryonic stem cell differentiation. Nat. Chem. Biol. 6, 411-417 (2010).
    • (2010) Nat. Chem. Biol. , vol.6 , pp. 411-417
    • Yanes, O.1
  • 31
    • 84987700180 scopus 로고    scopus 로고
    • Plant metabolomics strategies based upon quadrupole time-of-flight mass spectrometry (QTOF-MS)
    • Verhoeven, H.A., Ric de Vos, C.H., Bino, R.J. & Hall, R.D. Plant metabolomics strategies based upon quadrupole time-of-flight mass spectrometry (QTOF-MS). Plant Metabolomics, 57, 33-48 (2006).
    • (2006) Plant Metabolomics , vol.57 , pp. 33-48
    • Verhoeven, H.A.1    Ric De Vos, C.H.2    Bino, R.J.3    Hall, R.D.4
  • 32
    • 46749087881 scopus 로고    scopus 로고
    • Metabolomic profiling using Orbitrap Fourier transform mass spectrometry with hydrophilic interaction chromatography: A method with wide applicability to analysis of biomolecules
    • Kamleh, A. et al. Metabolomic profiling using Orbitrap Fourier transform mass spectrometry with hydrophilic interaction chromatography: a method with wide applicability to analysis of biomolecules. Rapid Commun. Mass Spectrom. 22, 1912-1918 (2008).
    • (2008) Rapid Commun. Mass Spectrom. , vol.22 , pp. 1912-1918
    • Kamleh, A.1
  • 34
    • 14744300520 scopus 로고    scopus 로고
    • Metabolomics applications of FT-ICR mass spectrometry
    • Brown, S.C., Kruppa, G. & Dasseux, J.-L. Metabolomics applications of FT-ICR mass spectrometry. Mass Spectrom. Rev. 24, 223-231 (2005).
    • (2005) Mass Spectrom. Rev. , vol.24 , pp. 223-231
    • Brown, S.C.1    Kruppa, G.2    Dasseux, J.-L.3
  • 35
    • 32444432587 scopus 로고    scopus 로고
    • METLIN: A metabolite mass spectral database
    • Smith, C.A. et al. METLIN: a metabolite mass spectral database. Ther. Drug Monit. 27, 747-751 (2005).
    • (2005) Ther. Drug Monit. , vol.27 , pp. 747-751
    • Smith, C.A.1
  • 36
    • 84857195689 scopus 로고    scopus 로고
    • Metabolomics implicates altered sphingolipids in chronic pain of neuropathic origin
    • Patti, G.J. et al. Metabolomics implicates altered sphingolipids in chronic pain of neuropathic origin. Nature Chem. Biol. 8, 232-234 (2012).
    • (2012) Nature Chem. Biol. , vol.8 , pp. 232-234
    • Patti, G.J.1
  • 37
    • 79951892537 scopus 로고    scopus 로고
    • The human serum metabolome
    • Psychogios, N. et al. The human serum metabolome. PLoS One 6, e16957 (2011).
    • (2011) PLoS One , vol.6
    • Psychogios, N.1
  • 38
    • 80053917679 scopus 로고    scopus 로고
    • Characterization of the human tear metabolome by LC-MS/MS
    • Chen, L., Zhou, L., Chan, E.C.Y., Neo, J. & Beuerman, R.W. Characterization of the human tear metabolome by LC-MS/MS. J. Proteome Res. 10, 4876-4882 (2011).
    • (2011) J. Proteome Res. , vol.10 , pp. 4876-4882
    • Chen, L.1    Zhou, L.2    Chan, E.C.Y.3    Neo, J.4    Beuerman, R.W.5
  • 39
    • 77952205557 scopus 로고    scopus 로고
    • Global metabolic profiling procedures for urine using UPLC-MS
    • Want, E.J. et al. Global metabolic profiling procedures for urine using UPLC-MS. Nat. Protoc. 5, 1005-1018 (2010).
    • (2010) Nat. Protoc. , vol.5 , pp. 1005-1018
    • Want, E.J.1
  • 40
    • 43049122356 scopus 로고    scopus 로고
    • From human genetics and genomics to pharmacogenetics and pharmacogenomics: Past lessons, future directions
    • Nebert, D.W., Zhang, G. & Vesell, E.S. From human genetics and genomics to pharmacogenetics and pharmacogenomics: past lessons, future directions. Drug Metab. Rev. 40, 187-224 (2008).
    • (2008) Drug Metab. Rev. , vol.40 , pp. 187-224
    • Nebert, D.W.1    Zhang, G.2    Vesell, E.S.3
  • 41
    • 18844449786 scopus 로고    scopus 로고
    • A metabolome pipeline: From concept to data to knowledge
    • Brown, M. et al. A metabolome pipeline: from concept to data to knowledge. Metabolomics 1, 39-51 (2005).
    • (2005) Metabolomics , vol.1 , pp. 39-51
    • Brown, M.1
  • 42
    • 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. 78, 779-787 (2006).
    • (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
  • 43
    • 84861915827 scopus 로고    scopus 로고
    • XCMS Online: A web-based platform to process untargeted metabolomic data
    • Tautenhahn, R., Patti, G.J., Rinehart, D. & Siuzdak, G. XCMS Online: a web-based platform to process untargeted metabolomic data. Anal. Chem. 84, 5035-5039 (2012).
    • (2012) Anal. Chem. , vol.84 , pp. 5035-5039
    • Tautenhahn, R.1    Patti, G.J.2    Rinehart, D.3    Siuzdak, G.4
  • 44
    • 79952125407 scopus 로고    scopus 로고
    • Nanoscale ion-pair reversed-phase HPLC-MS for sensitive metabolome analysis
    • Kiefer, P., Delmotte, N.l. & Vorholt, J.A. Nanoscale ion-pair reversed-phase HPLC-MS for sensitive metabolome analysis. Anal. Chem. 83, 850-855 (2010).
    • (2010) Anal. Chem. , vol.83 , pp. 850-855
    • Kiefer, P.1    Delmotte, N.L.2    Vorholt, J.A.3
  • 45
    • 80052669512 scopus 로고    scopus 로고
    • Localization of fatty acyl and double bond positions in phosphatidylcholines using a dual-stage CID fragmentation coupled with ion mobility mass spectrometry
    • Castro-Perez, J. et al. Localization of fatty acyl and double bond positions in phosphatidylcholines using a dual-stage CID fragmentation coupled with ion mobility mass spectrometry. J. Am. Soc. Mass Spectrom. 22, 1552-1567 (2011).
    • (2011) J. Am. Soc. Mass Spectrom. , vol.22 , pp. 1552-1567
    • Castro-Perez, J.1
  • 46
    • 55149124406 scopus 로고    scopus 로고
    • Elucidation of the double-bond position of long-chain unsaturated fatty acids by multiple-stage linear ion-trap mass spectrometry with electrospray ionization
    • Hsu, F.-F. & Turk, J. Elucidation of the double-bond position of long-chain unsaturated fatty acids by multiple-stage linear ion-trap mass spectrometry with electrospray ionization. J. Am. Soc. Mass Spectrom. 19, 1673-1680 (2008).
    • (2008) J. Am. Soc. Mass Spectrom. , vol.19 , pp. 1673-1680
    • Hsu, F.-F.1    Turk, J.2
  • 47
    • 41149158131 scopus 로고    scopus 로고
    • Ozone-induced dissociation: Elucidation of double bond position within mass-selected lipid ions
    • Thomas, M.C. et al. Ozone-induced dissociation: elucidation of double bond position within mass-selected lipid ions. Anal. Chem. 80, 303-311 (2007).
    • (2007) Anal. Chem. , vol.80 , pp. 303-311
    • Thomas, M.C.1
  • 48
    • 60749121730 scopus 로고    scopus 로고
    • Dietary n-6 and n-3 polyunsaturated fatty acids: From biochemistry to clinical implications in cardiovascular prevention
    • Gian Luigi, R. Dietary n-6 and n-3 polyunsaturated fatty acids: From biochemistry to clinical implications in cardiovascular prevention. Biochem. Pharmacol. 77, 937-946 (2009).
    • (2009) Biochem. Pharmacol. , vol.77 , pp. 937-946
    • Gian Luigi, R.1
  • 49
    • 34548036997 scopus 로고    scopus 로고
    • Capillary LC coupled with high-mass measurement accuracy mass spectrometry for metabolic profiling
    • Ding, J. et al. Capillary LC coupled with high-mass measurement accuracy mass spectrometry for metabolic profiling. Anal. Chem. 79, 6081-6093 (2007).
    • (2007) Anal. Chem. , vol.79 , pp. 6081-6093
    • Ding, J.1
  • 50
    • 66349087823 scopus 로고    scopus 로고
    • Spectroscopic and statistical techniques for information recovery in metabonomics and metabolomics
    • Lindon, J.C. & Nicholson, J.K. Spectroscopic and statistical techniques for information recovery in metabonomics and metabolomics. Annu. Rev. Anal. Chem. 1, 45-69 (2008).
    • (2008) Annu. Rev. Anal. Chem. , vol.1 , pp. 45-69
    • Lindon, J.C.1    Nicholson, J.K.2
  • 51
    • 0029004101 scopus 로고
    • Chemical characterization of a family of brain lipids that induce sleep
    • Cravatt, B. et al. Chemical characterization of a family of brain lipids that induce sleep. Science 268, 1506-1509 (1995).
    • (1995) Science , vol.268 , pp. 1506-1509
    • Cravatt, B.1
  • 52
    • 79954582170 scopus 로고    scopus 로고
    • Expanding coverage of the metabolome for global metabolite profiling
    • Yanes, O., Tautenhahn, R., Patti, G.J. & Siuzdak, G. Expanding coverage of the metabolome for global metabolite profiling. Anal. Chem. 83, 2152-2161 (2011).
    • (2011) Anal. Chem. , vol.83 , pp. 2152-2161
    • Yanes, O.1    Tautenhahn, R.2    Patti, G.J.3    Siuzdak, G.4
  • 53
    • 84866123900 scopus 로고    scopus 로고
    • An accelerated workflow for untargeted metabolomics using the METLIN database
    • Tautenhahn, R. et al. An accelerated workflow for untargeted metabolomics using the METLIN database. Nat. Biotechnol. 30, 826-828 (2012).
    • (2012) Nat. Biotechnol. , vol.30 , pp. 826-828
    • Tautenhahn, R.1


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