메뉴 건너뛰기




Volumn 1, Issue , 2017, Pages

Global chemical analysis of biology by mass spectrometry

Author keywords

[No Author keywords available]

Indexed keywords


EID: 85027139435     PISSN: None     EISSN: 23973358     Source Type: Journal    
DOI: 10.1038/s41570-017-0054     Document Type: Review
Times cited : (160)

References (188)
  • 2
    • 0001168164 scopus 로고
    • A familial disorder of uric acid metabolism and central nervous system function
    • Lesch, M., Nyhan, W. L. A familial disorder of uric acid metabolism and central nervous system function. Am. J. Med. 36, 561-570 (1964).
    • (1964) Am. J. Med. , vol.36 , pp. 561-570
    • Lesch, M.1    Nyhan, W.L.2
  • 3
    • 0015131404 scopus 로고
    • Quantitative analysis of urine vapor and breath by gas-liquid partition chromatography
    • Pauling, L., Robinson, A. B., Teranishi, R., Cary, P. Quantitative analysis of urine vapor and breath by gas-liquid partition chromatography. Proc. Natl Acad. Sci. USA 68, 2374-2376 (1971).
    • (1971) Proc. Natl Acad. Sci. USA , vol.68 , pp. 2374-2376
    • Pauling, L.1    Robinson, A.B.2    Teranishi, R.3    Cary, P.4
  • 4
    • 33748168091 scopus 로고
    • Electrospray ion source. Another variation on the free-jet theme
    • Yamashita, M., Fenn, J. B. Electrospray ion source. Another variation on the free-jet theme. J. Phys. Chem. 88, 4451-4459 (1984).
    • (1984) J. Phys. Chem. , vol.88 , pp. 4451-4459
    • Yamashita, M.1    Fenn, J.B.2
  • 5
    • 33845379876 scopus 로고
    • Influence of the wavelength in high-irradiance ultraviolet laser desorption mass spectrometry of organic molecules
    • Karas, M., Bachmann, D., Hillenkamp, F. Influence of the wavelength in high-irradiance ultraviolet laser desorption mass spectrometry of organic molecules. Anal. Chem. 57, 2935-2939 (1985).
    • (1985) Anal. Chem. , vol.57 , pp. 2935-2939
    • Karas, M.1    Bachmann, D.2    Hillenkamp, F.3
  • 6
    • 84984042980 scopus 로고
    • Protein and polymer analyses up to m/z 100 000 by laser ionization time-of-flight mass spectrometry
    • Tanaka, K. et al. Protein and polymer analyses up to m/z 100 000 by laser ionization time-of-flight mass spectrometry. Rapid Commun. Mass Spectrom. 2, 151-153 (1988).
    • (1988) Rapid Commun. Mass Spectrom. , vol.2 , pp. 151-153
    • Tanaka, K.1
  • 7
    • 84860510699 scopus 로고    scopus 로고
    • High-throughput walkthrough detection portal for counter terrorism: Detection of triacetone triperoxide (TATP) vapor by atmospheric-pressure chemical ionization ion trap mass spectrometry
    • Takada, Y. et al. High-throughput walkthrough detection portal for counter terrorism: Detection of triacetone triperoxide (TATP) vapor by atmospheric-pressure chemical ionization ion trap mass spectrometry. Rapid Commun. Mass Spectrom. 25, 2448-2452 (2011).
    • (2011) Rapid Commun. Mass Spectrom. , vol.25 , pp. 2448-2452
    • Takada, Y.1
  • 8
    • 84954470372 scopus 로고    scopus 로고
    • Effective use of mass spectrometry in the clinical laboratory
    • Jannetto, P. J., Fitzgerald, R. L. Effective use of mass spectrometry in the clinical laboratory. Clin. Chem. 62, 92-98 (2016).
    • (2016) Clin. Chem. , vol.62 , pp. 92-98
    • Jannetto, P.J.1    Fitzgerald, R.L.2
  • 9
    • 51149087915 scopus 로고    scopus 로고
    • Mass spectrometry and illicit drug testing: Analytical challenges of the anti-doping laboratories
    • Botrè, F. Mass spectrometry and illicit drug testing: Analytical challenges of the anti-doping laboratories. Expert Rev. Proteomics 5, 535-539 (2008).
    • (2008) Expert Rev. Proteomics , vol.5 , pp. 535-539
    • Botrè, F.1
  • 11
    • 84989227670 scopus 로고    scopus 로고
    • Metabolic profile and safety of piperlongumine
    • de Lima Moreira, F. et al. Metabolic profile and safety of piperlongumine. Sci. Rep. 6, 33646 (2016).
    • (2016) Sci. Rep. , vol.6 , pp. 33646
    • De Lima Moreira, F.1
  • 12
    • 84896792078 scopus 로고    scopus 로고
    • In vitro metabolism of monensin A: Microbial and human liver microsomes models
    • Rocha, B. A. et al. In vitro metabolism of monensin A: Microbial and human liver microsomes models. Xenobiotica 44, 326-335 (2014).
    • (2014) Xenobiotica , vol.44 , pp. 326-335
    • Rocha, B.A.1
  • 13
    • 13444309357 scopus 로고    scopus 로고
    • Evolution of dietary specialization and chemical defense in poison frogs (Dendrobatidae): A comparative analysis
    • Darst, C. R., Menéndez-Guerrero, P. A., Coloma, L. A., Cannatella, D. C. Evolution of dietary specialization and chemical defense in poison frogs (Dendrobatidae): A comparative analysis. Am. Nat. 165, 56-69 (2005).
    • (2005) Am. Nat. , vol.165 , pp. 56-69
    • Darst, C.R.1    Menéndez-Guerrero, P.A.2    Coloma, L.A.3    Cannatella, D.C.4
  • 14
    • 13644259892 scopus 로고    scopus 로고
    • Two abundant bioaccumulated halogenated compounds are natural products
    • Teuten, E. L. Two abundant bioaccumulated halogenated compounds are natural products. Science 307, 917-920 (2005).
    • (2005) Science , vol.307 , pp. 917-920
    • Teuten, E.L.1
  • 15
    • 84904748135 scopus 로고    scopus 로고
    • Biosynthesis of polybrominated aromatic organic compounds by marine bacteria
    • Agarwal, V. et al. Biosynthesis of polybrominated aromatic organic compounds by marine bacteria. Nat. Chem. Biol. 10, 640-647 (2014).
    • (2014) Nat. Chem. Biol. , vol.10 , pp. 640-647
    • Agarwal, V.1
  • 16
    • 84961289438 scopus 로고    scopus 로고
    • Complexity of naturally produced polybrominated diphenyl ethers revealed via mass spectrometry
    • Agarwal, V. et al. Complexity of naturally produced polybrominated diphenyl ethers revealed via mass spectrometry. Environ. Sci. Technol. 49, 1339-1346 (2015).
    • (2015) Environ. Sci. Technol. , vol.49 , pp. 1339-1346
    • Agarwal, V.1
  • 17
    • 84897396707 scopus 로고    scopus 로고
    • The skin microbiome in healthy and allergic dogs
    • Rodrigues Hoffmann, A. et al. The skin microbiome in healthy and allergic dogs. PLoS ONE 9, e83197 (2014).
    • (2014) PLoS ONE , vol.9 , pp. e83197
    • Rodrigues Hoffmann, A.1
  • 18
    • 84881484788 scopus 로고    scopus 로고
    • Cohabiting family members share microbiota with one another and with their dogs
    • Song, S. J. et al. Cohabiting family members share microbiota with one another and with their dogs. eLife 2, e00458 (2013).
    • (2013) ELife , vol.2 , pp. e00458
    • Song, S.J.1
  • 19
    • 0016086246 scopus 로고
    • Importance of feed as an unavoidable source of pesticide contamination in poultry meat and eggs. 1 Residues in feedstuff
    • Waldron, A. C., Naber, E. C. Importance of feed as an unavoidable source of pesticide contamination in poultry meat and eggs. 1. Residues in feedstuff. Poult. Sci. 53, 1359-1371 (1974).
    • (1974) Poult. Sci. , vol.53 , pp. 1359-1371
    • Waldron, A.C.1    Naber, E.C.2
  • 20
    • 84893871993 scopus 로고    scopus 로고
    • Impact of endophytic microorganisms on plants, environment and humans
    • Nair, D. N., Padmavathy, S. Impact of endophytic microorganisms on plants, environment and humans. ScientificWorldJournal 2014, 250693 (2014).
    • (2014) ScientificWorldJournal , vol.2014 , pp. 250693
    • Nair, D.N.1    Padmavathy, S.2
  • 24
    • 84907095098 scopus 로고    scopus 로고
    • Metabolite identification: Are you sure and how do your peers gauge your confidence
    • Creek, D. J. et al. Metabolite identification: Are you sure And how do your peers gauge your confidence Metabolomics 10, 350-353 (2014).
    • (2014) Metabolomics , vol.10 , pp. 350-353
    • Creek, D.J.1
  • 25
    • 65349170600 scopus 로고    scopus 로고
    • Biohalogenation: Nature's way to synthesize halogenated metabolites
    • Wagner, C., El Omari, M., König, G. M. Biohalogenation: Nature's way to synthesize halogenated metabolites. J. Nat. Prod. 72, 540-553 (2009).
    • (2009) J. Nat. Prod. , vol.72 , pp. 540-553
    • Wagner, C.1    Omari, E.2    König, G.M.M.3
  • 27
    • 79960180898 scopus 로고    scopus 로고
    • Targeted and non-targeted boron complex formation followed by electrospray Fourier transform ion cyclotron mass spectrometry: A novel approach for identifying boron esters with natural organic matter
    • Gaspar, A., Lucio, M., Harir, M., Schmitt-Kopplin, P. Targeted and non-targeted boron complex formation followed by electrospray Fourier transform ion cyclotron mass spectrometry: A novel approach for identifying boron esters with natural organic matter. Eur. J. Mass Spectrom. 17, 113-123 (2011).
    • (2011) Eur. J. Mass Spectrom. , vol.17 , pp. 113-123
    • Gaspar, A.1    Lucio, M.2    Harir, M.3    Schmitt-Kopplin, P.4
  • 28
    • 84975032531 scopus 로고    scopus 로고
    • Direct evidence of the molecular basis for biological silicon transport
    • Knight, M. J., Senior, L., Nancolas, B., Ratcliffe, S., Curnow, P. Direct evidence of the molecular basis for biological silicon transport. Nat. Commun. 7, 11926 (2016).
    • (2016) Nat. Commun. , vol.7 , pp. 11926
    • Knight, M.J.1    Senior, L.2    Nancolas, B.3    Ratcliffe, S.4    Curnow, P.5
  • 29
    • 34247163207 scopus 로고    scopus 로고
    • Seven golden rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry
    • Kind, T., Fiehn, O. Seven golden rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry. BMC Bioinformatics 8, 105 (2007).
    • (2007) BMC Bioinformatics , vol.8 , pp. 105
    • Kind, T.1    Fiehn, O.2
  • 30
    • 78650737804 scopus 로고    scopus 로고
    • Advances in structure elucidation of small molecules using mass spectrometry
    • Kind, T., Fiehn, O. Advances in structure elucidation of small molecules using mass spectrometry. Bioanal. Rev. 2, 23-60 (2010).
    • (2010) Bioanal. Rev. , vol.2 , pp. 23-60
    • Kind, T.1    Fiehn, O.2
  • 31
    • 78449296488 scopus 로고    scopus 로고
    • ChemSpider: An online chemical information resource
    • Pence, H. E., Williams, A. ChemSpider: An online chemical information resource. J. Chem. Educ. 87, 1123-1124 (2010).
    • (2010) J. Chem. Educ. , vol.87 , pp. 1123-1124
    • Pence, H.E.1    Williams, A.2
  • 32
    • 38549094609 scopus 로고    scopus 로고
    • NORINE: A database of nonribosomal peptides
    • Caboche, S. et al. NORINE: A database of nonribosomal peptides. Nucleic Acids Res. 36, D326-D331 (2008).
    • (2008) Nucleic Acids Res. , vol.36 , pp. D326-D331
    • Caboche, S.1
  • 33
    • 84876148784 scopus 로고    scopus 로고
    • HMDB 3.0-The Human Metabolome Database in 2013
    • Wishart, D. S. et al. HMDB 3.0-The Human Metabolome Database in 2013. Nucleic Acids Res. 41, D801-D807 (2012).
    • (2012) Nucleic Acids Res. , vol.41 , pp. D801-D807
    • Wishart, D.S.1
  • 34
    • 84946074829 scopus 로고    scopus 로고
    • T3DB: The toxic exposome database
    • Wishart, D. et al. T3DB: The toxic exposome database. Nucleic Acids Res. 43, D928-D934 (2015).
    • (2015) Nucleic Acids Res. , vol.43 , pp. D928-D934
    • Wishart, D.1
  • 35
    • 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 , pp. e16957
    • Psychogios, N.1
  • 36
    • 85006337290 scopus 로고    scopus 로고
    • Identifying known unknowns using the US EPA's CompTox Chemistry Dashboard
    • McEachran, A. D., Sobus, J. R., Williams, A. J. Identifying known unknowns using the US EPA's CompTox Chemistry Dashboard. Anal. Bioanal. Chem. 409, 1729-1735 (2017).
    • (2017) Anal. Bioanal. Chem. , vol.409 , pp. 1729-1735
    • McEachran, A.D.1    Sobus, J.R.2    Williams, A.J.3
  • 37
    • 84891425051 scopus 로고    scopus 로고
    • AfroDb: A select highly potent and diverse natural product library from African medicinal plants
    • Ntie-Kang, F. et al. AfroDb: A select highly potent and diverse natural product library from African medicinal plants. PLoS ONE 8, e78085 (2013).
    • (2013) PLoS ONE , vol.8 , pp. e78085
    • Ntie-Kang, F.1
  • 38
    • 84856461929 scopus 로고    scopus 로고
    • Databases aim to bridge the East-West divide of drug discovery
    • Sanderson, K. Databases aim to bridge the East-West divide of drug discovery. Nat. Med. 17, 1531-1531 (2011).
    • (2011) Nat. Med. , vol.17 , pp. 1531
    • Sanderson, K.1
  • 39
    • 84940036737 scopus 로고    scopus 로고
    • MINEs: Open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomics
    • Jeffryes, J. G. et al. MINEs: Open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomics. J. Cheminform. 7, 44 (2015).
    • (2015) J. Cheminform. , vol.7 , pp. 44
    • Jeffryes, J.G.1
  • 40
    • 84945249632 scopus 로고    scopus 로고
    • MyCompoundID MS/MS Search: Metabolite identification using a library of predicted fragment-ion-spectra of 383, 830 possible human metabolites
    • Huan, T. et al. MyCompoundID MS/MS Search: Metabolite identification using a library of predicted fragment-ion-spectra of 383, 830 possible human metabolites. Anal. Chem. 87, 10619-10626 (2015).
    • (2015) Anal. Chem. , vol.87 , pp. 10619-10626
    • Huan, T.1
  • 42
    • 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 4, 2249-2264 (2012).
    • (2012) Bioanalysis , vol.4 , pp. 2249-2264
    • Dunn, W.B.1    Wilson, I.D.2    Nicholls, A.W.3    Broadhurst, D.4
  • 44
    • 84907951027 scopus 로고    scopus 로고
    • The mzTab data exchange format: Communicating mass-spectrometry-based proteomics and metabolomics experimental results to a wider audience
    • Griss, J. et al. The mzTab data exchange format: Communicating mass-spectrometry-based proteomics and metabolomics experimental results to a wider audience. Mol. Cell. Proteomics 13, 2765-2775 (2014).
    • (2014) Mol. Cell. Proteomics , vol.13 , pp. 2765-2775
    • Griss, J.1
  • 45
    • 43449108562 scopus 로고    scopus 로고
    • The minimum information about a genome sequence (MIGS) specification
    • Field, D. et al. The minimum information about a genome sequence (MIGS) specification. Nat. Biotechnol. 26, 541-547 (2008).
    • (2008) Nat. Biotechnol. , vol.26 , pp. 541-547
    • Field, D.1
  • 46
    • 79955749319 scopus 로고    scopus 로고
    • Minimum information about a marker gene sequence (MIMARKS) and minimum information about any (x) sequence (MIxS) specifications
    • Yilmaz, P. et al. Minimum information about a marker gene sequence (MIMARKS) and minimum information about any (x) sequence (MIxS) specifications. Nat. Biotechnol. 29, 415-420 (2011).
    • (2011) Nat. Biotechnol. , vol.29 , pp. 415-420
    • Yilmaz, P.1
  • 47
    • 84984878984 scopus 로고    scopus 로고
    • OpenMS: A flexible open-source software platform for mass spectrometry data analysis
    • Röst, H. L. et al. OpenMS: A flexible open-source software platform for mass spectrometry data analysis. Nat. Methods 13, 741-748 (2016).
    • (2016) Nat. Methods , vol.13 , pp. 741-748
    • Röst, H.L.1
  • 48
    • 84952863976 scopus 로고    scopus 로고
    • Updates in metabolomics tools and resources: 2014-2015
    • Misra, B. B., van der Hooft, J. J. J. Updates in metabolomics tools and resources: 2014-2015. Electrophoresis 37, 86-110 (2016).
    • (2016) Electrophoresis , vol.37 , pp. 86-110
    • Misra, B.B.1    Van Der Hooft, J.J.J.2
  • 50
    • 67849106535 scopus 로고    scopus 로고
    • MetaboAnalyst: A web server for metabolomic data analysis and interpretation
    • Xia, J. et al. MetaboAnalyst: A web server for metabolomic data analysis and interpretation. Nucleic Acids Res. 37, W652-W660 (2009).
    • (2009) Nucleic Acids Res. , vol.37 , pp. W652-W660
    • Xia, J.1
  • 51
    • 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. E. 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.E.4
  • 52
    • 84988663060 scopus 로고    scopus 로고
    • Training in metabolomics research. II. Processing and statistical analysis of metabolomics data, metabolite identification, pathway analysis, applications of metabolomics and its future
    • Barnes, S. et al. Training in metabolomics research. II. Processing and statistical analysis of metabolomics data, metabolite identification, pathway analysis, applications of metabolomics and its future. J. Mass Spectrom. 51, 535-548 (2016).
    • (2016) J. Mass Spectrom. , vol.51 , pp. 535-548
    • Barnes, S.1
  • 53
    • 84867345063 scopus 로고    scopus 로고
    • A cross-platform toolkit for mass spectrometry and proteomics
    • Chambers, M. C. et al. A cross-platform toolkit for mass spectrometry and proteomics. Nat. Biotechnol. 30, 918-920 (2012).
    • (2012) Nat. Biotechnol. , vol.30 , pp. 918-920
    • Chambers, M.C.1
  • 54
    • 84885922460 scopus 로고    scopus 로고
    • A guideline to univariate statistical analysis for LC/MS-based untargeted metabolomics-derived data
    • Vinaixa, M. et al. A guideline to univariate statistical analysis for LC/MS-based untargeted metabolomics-derived data. Metabolites 2, 775-795 (2012).
    • (2012) Metabolites , vol.2 , pp. 775-795
    • Vinaixa, M.1
  • 55
    • 33747019547 scopus 로고    scopus 로고
    • Centering, scaling, and transformations: Improving the biological information content of metabolomics data
    • van den Berg, R. A., Hoefsloot, H. C. J., Westerhuis, J. A., Smilde, A. K., van Der Werf, M. J. Centering, scaling, and transformations: Improving the biological information content of metabolomics data. BMC Genomics 7, 142 (2006).
    • (2006) BMC Genomics , vol.7 , pp. 142
    • Van Den Berg, R.A.1    Hoefsloot, H.C.J.2    Westerhuis, J.A.3    Smilde, A.K.4    Van Der Werf, M.J.5
  • 56
    • 84883685328 scopus 로고    scopus 로고
    • Evaluation of normalization methods to pave the way towards large-scale LC-MS-based metabolomics profiling experiments
    • Ejigu, B. A. et al. Evaluation of normalization methods to pave the way towards large-scale LC-MS-based metabolomics profiling experiments. OMICS 17, 473-485 (2013).
    • (2013) OMICS , vol.17 , pp. 473-485
    • Ejigu, B.A.1
  • 57
    • 84963799935 scopus 로고    scopus 로고
    • Non-targeted UHPLC-MS metabolomic data processing methods: A comparative investigation of normalisation, missing value imputation, transformation and scaling
    • Di Guida, R. et al. Non-targeted UHPLC-MS metabolomic data processing methods: A comparative investigation of normalisation, missing value imputation, transformation and scaling. Metabolomics 12, 93 (2016).
    • (2016) Metabolomics , vol.12 , pp. 93
    • Guida R, D.I.1
  • 59
    • 84929510967 scopus 로고    scopus 로고
    • Machine learning applications in genetics and genomics
    • Libbrecht, M. W., Noble, W. S. Machine learning applications in genetics and genomics. Nat. Rev. Genet. 16, 321-332 (2015).
    • (2015) Nat. Rev. Genet. , vol.16 , pp. 321-332
    • Libbrecht, M.W.1    Noble, W.S.2
  • 61
    • 84861793773 scopus 로고    scopus 로고
    • Gene set enrichment analysis: Performance evaluation and usage guidelines
    • Hung, J.-H., Yang, T.-H., Hu, Z., Weng, Z., DeLisi, C. Gene set enrichment analysis: Performance evaluation and usage guidelines. Brief. Bioinform. 13, 281-291 (2012).
    • (2012) Brief. Bioinform. , vol.13 , pp. 281-291
    • Hung, J.-H.1    Yang, T.-H.2    Hu, Z.3    Weng, Z.4    DeLisi, C.5
  • 62
    • 84887634951 scopus 로고    scopus 로고
    • Tools for the functional interpretation of metabolomic experiments
    • Chagoyen, M., Pazos, F. Tools for the functional interpretation of metabolomic experiments. Brief. Bioinform. 14, 737-744 (2012).
    • (2012) Brief. Bioinform. , vol.14 , pp. 737-744
    • Chagoyen, M.1    Pazos, F.2
  • 63
    • 84861123691 scopus 로고    scopus 로고
    • Ten years of pathway analysis: Current approaches and outstanding challenges
    • Khatri, P., Sirota, M., Butte, A. J. Ten years of pathway analysis: Current approaches and outstanding challenges. PLoS Comput. Biol. 8, e1002375 (2012).
    • (2012) PLoS Comput. Biol. , vol.8 , pp. e1002375
    • Khatri, P.1    Sirota, M.2    Butte, A.J.3
  • 64
    • 84927662026 scopus 로고    scopus 로고
    • Molecular cartography of the human skin surface in 3D
    • Bouslimani, A. et al. Molecular cartography of the human skin surface in 3D. Proc. Natl Acad. Sci. USA 112, E2120-E2129 (2015).
    • (2015) Proc. Natl Acad. Sci. USA , vol.112 , pp. E2120-E2129
    • Bouslimani, A.1
  • 65
    • 84973384970 scopus 로고    scopus 로고
    • Open-access metabolomics databases for natural product research: Present capabilities and future potential
    • Johnson, S. R., Lange, B. M. Open-access metabolomics databases for natural product research: Present capabilities and future potential. Front. Bioeng. Biotechnol. 3, 22 (2015).
    • (2015) Front. Bioeng. Biotechnol. , vol.3 , pp. 22
    • Johnson, S.R.1    Lange, B.M.2
  • 66
    • 85018914154 scopus 로고    scopus 로고
    • Identification of small molecules using accurate mass MS/MS search
    • Kind, T. et al. Identification of small molecules using accurate mass MS/MS search. Mass Spectrom. Rev. http://dx.doi.org/10.1002/mas.21535 (2017).
    • (2017) Mass Spectrom. Rev.
    • Kind, T.1
  • 68
    • 0023965741 scopus 로고
    • SMILES a chemical language and information system. 1. Introduction to methodology and encoding rules
    • Weininger, D. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules. J. Chem. Inf. Comput. Sci. 28, 31-36 (1988).
    • (1988) J. Chem. Inf. Comput. Sci. , vol.28 , pp. 31-36
    • Weininger, D.1
  • 69
    • 84994813307 scopus 로고    scopus 로고
    • SPLASH, a hashed identifier for mass spectra
    • Wohlgemuth, G. et al. SPLASH, a hashed identifier for mass spectra. Nat. Biotechnol. 34, 1099-1101 (2016).
    • (2016) Nat. Biotechnol. , vol.34 , pp. 1099-1101
    • Wohlgemuth, G.1
  • 70
    • 84959573656 scopus 로고    scopus 로고
    • Integrated metabolomics and metagenomics analysis of plasma and urine identified microbial metabolites associated with coronary heart disease
    • Feng, Q. et al. Integrated metabolomics and metagenomics analysis of plasma and urine identified microbial metabolites associated with coronary heart disease. Sci. Rep. 6, 22525 (2016).
    • (2016) Sci. Rep. , vol.6 , pp. 22525
    • Feng, Q.1
  • 71
    • 77955277537 scopus 로고    scopus 로고
    • Dealing with the unknown: Metabolomics and metabolite atlases
    • Bowen, B. P., Northen, T. R. Dealing with the unknown: Metabolomics and metabolite atlases. J. Am. Soc. Mass Spectrom. 21, 1471-1476 (2010).
    • (2010) J. Am. Soc. Mass Spectrom. , vol.21 , pp. 1471-1476
    • Bowen, B.P.1    Northen, T.R.2
  • 72
    • 67649834742 scopus 로고    scopus 로고
    • Mass spectrometry tools and metabolite-specific databases for molecular identification in metabolomics
    • Brown, M. et al. Mass spectrometry tools and metabolite-specific databases for molecular identification in metabolomics. Analyst 134, 1322-1332 (2009).
    • (2009) Analyst , vol.134 , pp. 1322-1332
    • Brown, M.1
  • 73
    • 34748888866 scopus 로고    scopus 로고
    • Proposed minimum reporting standards for chemical analysis Chemical Analysis Working Group (CAWG) Metabolomics Standards Initiative (MSI)
    • Sumner, L. W. et al. Proposed minimum reporting standards for chemical analysis Chemical Analysis Working Group (CAWG) Metabolomics Standards Initiative (MSI). Metabolomics 3, 211-221 (2007).
    • (2007) Metabolomics , vol.3 , pp. 211-221
    • Sumner, L.W.1
  • 74
    • 85010369319 scopus 로고    scopus 로고
    • Current and future perspectives on the structural identification of small molecules in biological systems
    • Dias, D. et al. Current and future perspectives on the structural identification of small molecules in biological systems. Metabolites 6, 46 (2016).
    • (2016) Metabolites , vol.6 , pp. 46
    • Dias, D.1
  • 75
    • 85026789055 scopus 로고    scopus 로고
    • MsPurity: Automated evaluation of precursor ion purity for mass spectrometry-based fragmentation in metabolomics
    • Lawson, T. N. et al. msPurity: Automated evaluation of precursor ion purity for mass spectrometry-based fragmentation in metabolomics. Anal. Chem. 89, 2432-2439 (2017).
    • (2017) Anal. Chem. , vol.89 , pp. 2432-2439
    • Lawson, T.N.1
  • 76
    • 84981297901 scopus 로고    scopus 로고
    • Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking
    • Wang, M. et al. Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking. Nat. Biotechnol. 34, 828-837 (2016).
    • (2016) Nat. Biotechnol. , vol.34 , pp. 828-837
    • Wang, M.1
  • 77
    • 84924165442 scopus 로고    scopus 로고
    • Metabolome searcher: A high throughput tool for metabolite identification and metabolic pathway mapping directly from mass spectrometry and using genome restriction
    • Dhanasekaran, A. R., Pearson, J. L., Ganesan, B., Weimer, B. C. Metabolome searcher: A high throughput tool for metabolite identification and metabolic pathway mapping directly from mass spectrometry and using genome restriction. BMC Bioinformatics 16, 62 (2015).
    • (2015) BMC Bioinformatics , vol.16 , pp. 62
    • Dhanasekaran, A.R.1    Pearson, J.L.2    Ganesan, B.3    Weimer, B.C.4
  • 78
    • 84939516051 scopus 로고    scopus 로고
    • MetaMapR: Pathway independent metabolomic network analysis incorporating unknowns
    • Grapov, D., Wanichthanarak, K., Fiehn, O. MetaMapR: Pathway independent metabolomic network analysis incorporating unknowns. Bioinformatics 31, 2757-2760 (2015).
    • (2015) Bioinformatics , vol.31 , pp. 2757-2760
    • Grapov, D.1    Wanichthanarak, K.2    Fiehn, O.3
  • 79
    • 84900862294 scopus 로고    scopus 로고
    • New kids on the block: Novel informatics methods for natural product discovery
    • Hufsky, F., Scheubert, K., Böcker, S. New kids on the block: Novel informatics methods for natural product discovery. Nat. Prod. Rep. 31, 807-817 (2014).
    • (2014) Nat. Prod. Rep. , vol.31 , pp. 807-817
    • Hufsky, F.1    Scheubert, K.2    Böcker, S.3
  • 80
    • 85016460639 scopus 로고    scopus 로고
    • CASMI-The small molecule identification process from a Birmingham perspective
    • Allwood, J. et al. CASMI-The small molecule identification process from a Birmingham perspective. Metabolites 3, 397-411 (2013).
    • (2013) Metabolites , vol.3 , pp. 397-411
    • Allwood, J.1
  • 81
    • 85016274882 scopus 로고    scopus 로고
    • Critical assessment of small molecule identification 2016: Automated methods
    • Schymanski, E. L. et al. Critical assessment of small molecule identification 2016: Automated methods. J. Cheminform. 9, 22 (2017).
    • (2017) J. Cheminform. , vol.9 , pp. 22
    • Schymanski, E.L.1
  • 82
    • 84944201928 scopus 로고    scopus 로고
    • Searching molecular structure databases with tandem mass spectra using CSI:FingerID
    • Dührkop, K., Shen, H., Meusel, M., Rousu, J., Böcker, S. Searching molecular structure databases with tandem mass spectra using CSI:FingerID. Proc. Natl Acad. Sci. USA 112, 12580-12585 (2015).
    • (2015) Proc. Natl Acad. Sci. USA , vol.112 , pp. 12580-12585
    • Dührkop, K.1    Shen, H.2    Meusel, M.3    Rousu, J.4    Böcker, S.5
  • 83
    • 84976515064 scopus 로고    scopus 로고
    • Fast metabolite identification with input output kernel regression
    • Brouard, C. et al. Fast metabolite identification with input output kernel regression. Bioinformatics 32, i28-i36 (2016).
    • (2016) Bioinformatics , vol.32 , pp. i28-i36
    • Brouard, C.1
  • 85
    • 84926363137 scopus 로고    scopus 로고
    • Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification
    • Allen, F., Greiner, R., Wishart, D. Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification. Metabolomics 11, 98-110 (2014).
    • (2014) Metabolomics , vol.11 , pp. 98-110
    • Allen, F.1    Greiner, R.2    Wishart, D.3
  • 87
    • 84881476562 scopus 로고    scopus 로고
    • LipidBlast in silico tandem mass spectrometry database for lipid identification
    • Kind, T. et al. LipidBlast in silico tandem mass spectrometry database for lipid identification. Nat. Methods 10, 755-758 (2013).
    • (2013) Nat. Methods , vol.10 , pp. 755-758
    • Kind, T.1
  • 88
    • 84994681226 scopus 로고    scopus 로고
    • Dereplication of peptidic natural products through database search of mass spectra
    • Mohimani, H. et al. Dereplication of peptidic natural products through database search of mass spectra. Nat. Chem. Biol. 13, 30-37 (2016).
    • (2016) Nat. Chem. Biol. , vol.13 , pp. 30-37
    • Mohimani, H.1
  • 89
    • 85007174166 scopus 로고    scopus 로고
    • Searching molecular structure databases using tandem MS data: Are we there yet Curr
    • Böcker, S. Searching molecular structure databases using tandem MS data: Are we there yet Curr. Opin. Chem. Biol. 36, 1-6 (2017).
    • (2017) Opin. Chem. Biol. , vol.36 , pp. 1-6
    • Böcker, S.1
  • 90
    • 85006817826 scopus 로고    scopus 로고
    • Strategies for dereplication of natural compounds using high-resolution tandem mass spectrometry
    • Kind, T., Fiehn, O. Strategies for dereplication of natural compounds using high-resolution tandem mass spectrometry. Phytochem. Lett. http://dx.doi. org/10.1016/j.phytol.2016.11.006 (2016).
    • (2016) Phytochem. Lett.
    • Kind, T.1    Fiehn, O.2
  • 91
    • 84862999012 scopus 로고    scopus 로고
    • Mass spectral molecular networking of living microbial colonies
    • Watrous, J. et al. Mass spectral molecular networking of living microbial colonies. Proc. Natl Acad. Sci. USA 109, E1743-E1752 (2012).
    • (2012) Proc. Natl Acad. Sci. USA , vol.109 , pp. E1743-E1752
    • Watrous, J.1
  • 92
    • 84961218887 scopus 로고    scopus 로고
    • Integration of molecular networking and in-silico MS/MS fragmentation for natural products dereplication
    • Allard, P.-M. et al. Integration of molecular networking and in-silico MS/MS fragmentation for natural products dereplication. Anal. Chem. 88, 3317-3323 (2016).
    • (2016) Anal. Chem. , vol.88 , pp. 3317-3323
    • Allard, P.-M.1
  • 93
    • 33847389465 scopus 로고    scopus 로고
    • Coupled-cluster theory in quantum chemistry
    • Bartlett, R. J., Musia, M. Coupled-cluster theory in quantum chemistry. Rev. Mod. Phys. 79, 291-352 (2007).
    • (2007) Rev. Mod. Phys. , vol.79 , pp. 291-352
    • Bartlett, R.J.1    Musia, M.2
  • 94
    • 84971643970 scopus 로고    scopus 로고
    • How to compute electron ionization mass spectra from first principles
    • Bauer, C. A., Grimme, S. How to compute electron ionization mass spectra from first principles. J. Phys. Chem. A 120, 3755-3766 (2016).
    • (2016) J. Phys. Chem. A , vol.120 , pp. 3755-3766
    • Bauer, C.A.1    Grimme, S.2
  • 95
    • 0035889761 scopus 로고    scopus 로고
    • Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniques
    • Poater, J., Duran, M., Solà, M. Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniques. J. Comput. Chem. 22, 1666-1678 (2001).
    • (2001) J. Comput. Chem. , vol.22 , pp. 1666-1678
    • Poater, J.1    Duran, M.2    Solà, M.3
  • 96
    • 84894231575 scopus 로고    scopus 로고
    • Quest for a universal density functional: The accuracy of density functionals across a broad spectrum of databases in chemistry and physics
    • Peverati, R., Truhlar, D. G. Quest for a universal density functional: The accuracy of density functionals across a broad spectrum of databases in chemistry and physics. Phil. Trans. R. Soc. A 372, 20120476 (2014).
    • (2014) Phil. Trans. R. Soc. A , vol.372 , pp. 20120476
    • Peverati, R.1    Truhlar, D.G.2
  • 97
    • 84983681666 scopus 로고    scopus 로고
    • Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional
    • Sun, J. et al. Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional. Nat. Chem. 8, 831-836 (2016).
    • (2016) Nat. Chem. , vol.8 , pp. 831-836
    • Sun, J.1
  • 98
    • 85018437034 scopus 로고    scopus 로고
    • High-efficiency multiphoton boson sampling
    • Wang, H. et al. High-efficiency multiphoton boson sampling. Nat. Photonics 11, 361-365 (2017).
    • (2017) Nat. Photonics , vol.11 , pp. 361-365
    • Wang, H.1
  • 99
    • 84992618487 scopus 로고    scopus 로고
    • What is the computational value of finite-range tunneling
    • Denchev, V. S. et al. What is the computational value of finite-range tunneling Phys. Rev. X 6, 31015 (2016).
    • (2016) Phys. Rev. X , vol.6 , pp. 31015
    • Denchev, V.S.1
  • 100
    • 85018772851 scopus 로고    scopus 로고
    • IMet: A network-based computational tool to assist in the annotation of metabolites from tandem mass spectra
    • Aguilar-Mogas, A., Sales-Pardo, M., Navarro, M., Guimerà, R., Yanes, O. iMet: A network-based computational tool to assist in the annotation of metabolites from tandem mass spectra. Anal. Chem. 89, 3474-3482 (2017).
    • (2017) Anal. Chem. , vol.89 , pp. 3474-3482
    • Aguilar-Mogas, A.1    Sales-Pardo, M.2    Navarro, M.3    Guimerà, R.4    Yanes, O.5
  • 101
    • 84876560358 scopus 로고    scopus 로고
    • The ChEBI reference database and ontology for biologically relevant chemistry: Enhancements for 2013
    • Hastings, J. et al. The ChEBI reference database and ontology for biologically relevant chemistry: Enhancements for 2013. Nucleic Acids Res. 41, D456-D463 (2012).
    • (2012) Nucleic Acids Res. , vol.41 , pp. D456-D463
    • Hastings, J.1
  • 102
    • 84995566977 scopus 로고    scopus 로고
    • ClassyFire: Automated chemical classification with a comprehensive, computable taxonomy
    • Djoumbou Feunang, Y. et al. ClassyFire: Automated chemical classification with a comprehensive, computable taxonomy. J. Cheminform. 8, 61 (2016).
    • (2016) J. Cheminform. , vol.8 , pp. 61
    • Djoumbou Feunang, Y.1
  • 103
    • 85006817466 scopus 로고    scopus 로고
    • Molecular networking as a drug discovery, drug metabolism, and precision medicine strategy
    • Quinn, R. A. et al. Molecular networking as a drug discovery, drug metabolism, and precision medicine strategy. Trends Pharmacol. Sci. 38, 143-154 (2017).
    • (2017) Trends Pharmacol. Sci. , vol.38 , pp. 143-154
    • Quinn, R.A.1
  • 104
    • 47649092672 scopus 로고    scopus 로고
    • SyGMa: Combining expert knowledge and empirical scoring in the prediction of metabolites
    • Ridder, L., Wagener, M. SyGMa: Combining expert knowledge and empirical scoring in the prediction of metabolites. ChemMedChem 3, 821-832 (2008).
    • (2008) ChemMedChem , vol.3 , pp. 821-832
    • Ridder, L.1    Wagener, M.2
  • 105
    • 84979984723 scopus 로고    scopus 로고
    • The evolution of genome mining in microbes-A review
    • Ziemert, N., Alanjary, M., Weber, T. The evolution of genome mining in microbes-A review. Nat. Prod. Rep. 33, 988-1005 (2016).
    • (2016) Nat. Prod. Rep. , vol.33 , pp. 988-1005
    • Ziemert, N.1    Alanjary, M.2    Weber, T.3
  • 106
    • 80054865417 scopus 로고    scopus 로고
    • A mass spectrometry-guided genome mining approach for natural product peptidogenomics
    • Kersten, R. D. et al. A mass spectrometry-guided genome mining approach for natural product peptidogenomics. Nat. Chem. Biol. 7, 794-802 (2011).
    • (2011) Nat. Chem. Biol. , vol.7 , pp. 794-802
    • Kersten, R.D.1
  • 107
    • 84888095812 scopus 로고    scopus 로고
    • Glycogenomics as a mass spectrometry-guided genome-mining method for microbial glycosylated molecules
    • Kersten, R. D. et al. Glycogenomics as a mass spectrometry-guided genome-mining method for microbial glycosylated molecules. Proc. Natl Acad. Sci. USA 110, E4407-E4416 (2013).
    • (2013) Proc. Natl Acad. Sci. USA , vol.110 , pp. E4407-E4416
    • Kersten, R.D.1
  • 108
    • 84937761254 scopus 로고    scopus 로고
    • Molecular networking and pattern-based genome mining improves discovery of biosynthetic gene clusters and their products from Salinispora species
    • Duncan, K. R. et al. Molecular networking and pattern-based genome mining improves discovery of biosynthetic gene clusters and their products from Salinispora species. Chem. Biol. 22, 460-471 (2015).
    • (2015) Chem. Biol. , vol.22 , pp. 460-471
    • Duncan, K.R.1
  • 109
    • 84906678559 scopus 로고    scopus 로고
    • NRPquest: Coupling mass spectrometry and genome mining for nonribosomal peptide discovery
    • Mohimani, H. et al. NRPquest: Coupling mass spectrometry and genome mining for nonribosomal peptide discovery. J. Nat. Prod. 77, 1902-1909 (2014).
    • (2014) J. Nat. Prod. , vol.77 , pp. 1902-1909
    • Mohimani, H.1
  • 110
    • 84904547209 scopus 로고    scopus 로고
    • Automated genome mining of ribosomal peptide natural products
    • Mohimani, H. et al. Automated genome mining of ribosomal peptide natural products. ACS Chem. Biol. 9, 1545-1551 (2014).
    • (2014) ACS Chem. Biol. , vol.9 , pp. 1545-1551
    • Mohimani, H.1
  • 111
    • 84906328199 scopus 로고    scopus 로고
    • Structural investigation of ribosomally synthesized natural products by hypothetical structure enumeration and evaluation using tandem MS
    • Zhang, Q. et al. Structural investigation of ribosomally synthesized natural products by hypothetical structure enumeration and evaluation using tandem MS. Proc. Natl Acad. Sci. USA 111, 12031-12036 (2014).
    • (2014) Proc. Natl Acad. Sci. USA , vol.111 , pp. 12031-12036
    • Zhang, Q.1
  • 112
    • 84869792678 scopus 로고    scopus 로고
    • Dereplicating nonribosomal peptides using an informatic search algorithm for natural products (iSNAP) discovery
    • Ibrahim, A. et al. Dereplicating nonribosomal peptides using an informatic search algorithm for natural products (iSNAP) discovery. Proc. Natl Acad. Sci. USA 109, 19196-19201 (2012).
    • (2012) Proc. Natl Acad. Sci. USA , vol.109 , pp. 19196-19201
    • Ibrahim, A.1
  • 113
    • 84942761231 scopus 로고    scopus 로고
    • An automated Genomes-to-Natural Products platform (GNP) for the discovery of modular natural products
    • Johnston, C. W. et al. An automated Genomes-to-Natural Products platform (GNP) for the discovery of modular natural products. Nat. Commun. 6, 8421 (2015).
    • (2015) Nat. Commun. , vol.6 , pp. 8421
    • Johnston, C.W.1
  • 114
    • 0038281453 scopus 로고    scopus 로고
    • Observing and interpreting correlations in metabolomic networks
    • Steuer, R., Kurths, J., Fiehn, O., Weckwerth, W. Observing and interpreting correlations in metabolomic networks. Bioinformatics 19, 1019-1026 (2003).
    • (2003) Bioinformatics , vol.19 , pp. 1019-1026
    • Steuer, R.1    Kurths, J.2    Fiehn, O.3    Weckwerth, W.4
  • 115
    • 84984696176 scopus 로고    scopus 로고
    • Mass spectral fragmentation of trimethylsilylated small molecules
    • Lai, Z., Fiehn, O. Mass spectral fragmentation of trimethylsilylated small molecules. Mass Spectrom. Rev. http://dx.doi.org/10.1002/mas.21518 (2016).
    • (2016) Mass Spectrom. Rev.
    • Lai, Z.1    Fiehn, O.2
  • 116
    • 84987680729 scopus 로고    scopus 로고
    • Standardized description of scientific evidence using the Evidence Ontology (ECO)
    • Chibucos, M. C. et al. Standardized description of scientific evidence using the Evidence Ontology (ECO). Database (Oxford) 2014, bau075 (2014).
    • (2014) Database (Oxford) , vol.2014 , pp. 75
    • Chibucos, M.C.1
  • 117
    • 85016502241 scopus 로고    scopus 로고
    • Small molecule identification with MOLGEN and mass spectrometry
    • Meringer, M., Schymanski, E. L. Small molecule identification with MOLGEN and mass spectrometry. Metabolites 3, 440-462 (2013).
    • (2013) Metabolites , vol.3 , pp. 440-462
    • Meringer, M.1    Schymanski, E.L.2
  • 119
    • 33646747122 scopus 로고    scopus 로고
    • MOLGEN-MS: Evaluation of low resolution electron impact mass spectra with MS classification and exhaustive structure generation
    • Kerber, A., Laue, R., Meringer, M., Varmuza, K. MOLGEN-MS: Evaluation of low resolution electron impact mass spectra with MS classification and exhaustive structure generation. Adv. Mass Spectrom. 15, 22 (2001).
    • (2001) Adv. Mass Spectrom. , vol.15 , pp. 22
    • Kerber, A.1    Laue, R.2    Meringer, M.3    Varmuza, K.4
  • 120
    • 58349086772 scopus 로고    scopus 로고
    • SIRIUS: Decomposing isotope patterns for metabolite identification
    • Böcker, S., Letzel, M. C., Lipták, Z., Pervukhin, A. SIRIUS: Decomposing isotope patterns for metabolite identification. Bioinformatics 25, 218-224 (2009).
    • (2009) Bioinformatics , vol.25 , pp. 218-224
    • Böcker, S.1    Letzel, M.C.2    Lipták, Z.3    Pervukhin, A.4
  • 121
    • 84910677078 scopus 로고    scopus 로고
    • Mass spectrometry, review of the basics: Ionization
    • Awad, H., Khamis, M. M., El-Aneed, A. Mass spectrometry, review of the basics: Ionization. Appl. Spectrosc. Rev. 50, 158-175 (2015).
    • (2015) Appl. Spectrosc. Rev. , vol.50 , pp. 158-175
    • Awad, H.1    Khamis, M.M.2    El-Aneed, A.3
  • 122
    • 62349087945 scopus 로고    scopus 로고
    • Mass spectrometry, review of the basics: Electrospray, MALDi, and commonly used mass analyzers
    • El-Aneed, A., Cohen, A., Banoub, J. Mass spectrometry, review of the basics: Electrospray, MALDi, and commonly used mass analyzers. Appl. Spectrosc. Rev. 44, 210-230 (2009).
    • (2009) Appl. Spectrosc. Rev. , vol.44 , pp. 210-230
    • El-Aneed, A.1    Cohen, A.2    Banoub, J.3
  • 123
    • 0031623267 scopus 로고    scopus 로고
    • Fourier transform ion cyclotron resonance mass spectrometry: A primer
    • Marshall, A. G., Hendrickson, C. L., Jackson, G. S. Fourier transform ion cyclotron resonance mass spectrometry: A primer. Mass Spectrom. Rev. 17, 1-35 (1998).
    • (1998) Mass Spectrom. Rev. , vol.17 , pp. 1-35
    • Marshall, A.G.1    Hendrickson, C.L.2    Jackson, G.S.3
  • 124
    • 79959999382 scopus 로고    scopus 로고
    • Initial experimental characterization of a new ultra-high resolution FTICR cell with dynamic harmonization
    • Nikolaev, E. N., Boldin, I. A., Jertz, R., Baykut, G. Initial experimental characterization of a new ultra-high resolution FTICR cell with dynamic harmonization. J. Am. Soc. Mass Spectrom. 22, 1125-1133 (2011).
    • (2011) J. Am. Soc. Mass Spectrom. , vol.22 , pp. 1125-1133
    • Nikolaev, E.N.1    Boldin, I.A.2    Jertz, R.3    Baykut, G.4
  • 126
    • 0032324858 scopus 로고    scopus 로고
    • Mass spectrometric characterization of a high-field asymmetric waveform ion mobility spectrometer
    • Purves, R. W., Guevremont, R., Day, S., Pipich, C. W., Matyjaszczyk, M. S. Mass spectrometric characterization of a high-field asymmetric waveform ion mobility spectrometer. Rev. Sci. Instrum. 69, 4094 (1998).
    • (1998) Rev. Sci. Instrum. , vol.69 , pp. 4094
    • Purves, R.W.1    Guevremont, R.2    Day, S.3    Pipich, C.W.4    Matyjaszczyk, M.S.5
  • 127
    • 0347480510 scopus 로고    scopus 로고
    • Direct resistively heated column gas chromatography (Ultrafast module-GC) for high-speed analysis of essential oils of differing complexities
    • Bicchi, C. et al. Direct resistively heated column gas chromatography (Ultrafast module-GC) for high-speed analysis of essential oils of differing complexities. J. Chromatogr. A 1024, 195-207 (2004).
    • (2004) J. Chromatogr. A , vol.1024 , pp. 195-207
    • Bicchi, C.1
  • 128
    • 26944498110 scopus 로고    scopus 로고
    • Principles of nanoflow liquid chromatography and applications to proteomics
    • Cutillas, P. Principles of nanoflow liquid chromatography and applications to proteomics. Curr. Nanosci. 1, 65-71 (2005).
    • (2005) Curr. Nanosci. , vol.1 , pp. 65-71
    • Cutillas, P.1
  • 129
    • 85043194991 scopus 로고    scopus 로고
    • Scientists reveal proposal to build human genome from scratch
    • Servick, K. Scientists reveal proposal to build human genome from scratch. Science http://dx.doi. org/10.1126/science.aag0588 (2016).
    • (2016) Science
    • Servick, K.1
  • 130
    • 84862276328 scopus 로고    scopus 로고
    • Structure, function and diversity of the healthy human microbiome
    • Human Microbiome Project Consortium
    • Human Microbiome Project Consortium.Structure, function and diversity of the healthy human microbiome. Nature 486, 207-214 (2012).
    • (2012) Nature , vol.486 , pp. 207-214
  • 131
    • 80052722544 scopus 로고    scopus 로고
    • Meeting report: The Terabase Metagenomics Workshop and the Vision of an Earth Microbiome Project
    • Gilbert, J. A. et al. Meeting report: The Terabase Metagenomics Workshop and the Vision of an Earth Microbiome Project. Stand. Genomic Sci. 3, 243-248 (2010).
    • (2010) Stand. Genomic Sci. , vol.3 , pp. 243-248
    • Gilbert, J.A.1
  • 132
    • 84991628639 scopus 로고    scopus 로고
    • Deep sequencing of 10, 000 human genomes
    • Telenti, A. et al. Deep sequencing of 10, 000 human genomes. Proc. Natl Acad. Sci. USA 113, 11901-11906 (2016).
    • (2016) Proc. Natl Acad. Sci. USA , vol.113 , pp. 11901-11906
    • Telenti, A.1
  • 134
    • 53649106195 scopus 로고    scopus 로고
    • Next-generation DNA sequencing
    • Shendure, J., Ji, H. Next-generation DNA sequencing. Nat. Biotechnol. 26, 1135-1145 (2008).
    • (2008) Nat. Biotechnol. , vol.26 , pp. 1135-1145
    • Shendure, J.1    Ji, H.2
  • 135
    • 0041408938 scopus 로고    scopus 로고
    • Electrostatic axially harmonic orbital trapping: A high-performance technique of mass analysis
    • Makarov, A. Electrostatic axially harmonic orbital trapping: A high-performance technique of mass analysis. Anal. Chem. 72, 1156-1162 (2000).
    • (2000) Anal. Chem. , vol.72 , pp. 1156-1162
    • Makarov, A.1
  • 136
    • 0001268221 scopus 로고
    • Fourier transform ion cyclotron resonance spectroscopy
    • Comisarow, M. B., Marshall, A. G. Fourier transform ion cyclotron resonance spectroscopy. Chem. Phys. Lett. 25, 282-283 (1974).
    • (1974) Chem. Phys. Lett. , vol.25 , pp. 282-283
    • Comisarow, M.B.1    Marshall, A.G.2
  • 137
    • 84865769818 scopus 로고    scopus 로고
    • Mass spectral reference libraries: An ever-expanding resource for chemical identification
    • Stein, S. Mass spectral reference libraries: An ever-expanding resource for chemical identification. Anal. Chem. 84, 7274-7282 (2012).
    • (2012) Anal. Chem. , vol.84 , pp. 7274-7282
    • Stein, S.1
  • 138
    • 84876560030 scopus 로고    scopus 로고
    • MetaboLights-an open-access general-purpose repository for metabolomics studies and associated meta-data
    • Haug, K. et al. MetaboLights-an open-access general-purpose repository for metabolomics studies and associated meta-data. Nucleic Acids Res. 41, D781-D786 (2013).
    • (2013) Nucleic Acids Res. , vol.41 , pp. D781-D786
    • Haug, K.1
  • 139
    • 84976887093 scopus 로고    scopus 로고
    • Metabolomics Workbench: An international repository for metabolomics data and metadata, metabolite standards, protocols, tutorials and training, and analysis tools
    • Sud, M. et al. Metabolomics Workbench: An international repository for metabolomics data and metadata, metabolite standards, protocols, tutorials and training, and analysis tools. Nucleic Acids Res. 44, D463-D470 (2015).
    • (2015) Nucleic Acids Res. , vol.44 , pp. D463-D470
    • Sud, M.1
  • 140
    • 20044368617 scopus 로고    scopus 로고
    • GC-MS libraries for the rapid identification of metabolites in complex biological samples
    • Schauer, N. et al. GC-MS libraries for the rapid identification of metabolites in complex biological samples. FEBS Lett. 579, 1332-1337 (2005).
    • (2005) FEBS Lett. , vol.579 , pp. 1332-1337
    • Schauer, N.1
  • 141
    • 79958251200 scopus 로고    scopus 로고
    • MeRy-B: A web knowledgebase for the storage, visualization, analysis and annotation of plant NMR metabolomic profiles
    • Ferry-Dumazet, H. et al. MeRy-B: A web knowledgebase for the storage, visualization, analysis and annotation of plant NMR metabolomic profiles. BMC Plant Biol. 11, 104 (2011).
    • (2011) BMC Plant Biol. , vol.11 , pp. 104
    • Ferry-Dumazet, H.1
  • 142
    • 36348979386 scopus 로고    scopus 로고
    • SetupX-A public study design database for metabolomic projects
    • Scholz, M., Fiehn, O. SetupX-A public study design database for metabolomic projects. Pac. Symp. Biocomput. 2007, 169-180 (2007).
    • (2007) Pac. Symp. Biocomput. , vol.2007 , pp. 169-180
    • Scholz, M.1    Fiehn, O.2
  • 144
    • 85018765158 scopus 로고    scopus 로고
    • Joint bounding of peaks across samples improves differential analysis in mass spectrometry-based metabolomics
    • Myint, L., Kleensang, A., Zhao, L., Hartung, T., Hansen, K. D. Joint bounding of peaks across samples improves differential analysis in mass spectrometry-based metabolomics. Anal. Chem. 89, 3517-3523 (2017).
    • (2017) Anal. Chem. , vol.89 , pp. 3517-3523
    • Myint, L.1    Kleensang, A.2    Zhao, L.3    Hartung, T.4    Hansen, K.D.5
  • 145
    • 85018329640 scopus 로고    scopus 로고
    • Mass Spectral Feature List Optimizer (MS-FLO): A tool to minimize false positive peak reports in untargeted liquid chroamtography-mass spectrometry (LC-MS) data processing
    • Defelice, B. C. et al. Mass Spectral Feature List Optimizer (MS-FLO): A tool to minimize false positive peak reports in untargeted liquid chroamtography-mass spectrometry (LC-MS) data processing. Anal. Chem. 89, 3250-3255 (2017).
    • (2017) Anal. Chem. , vol.89 , pp. 3250-3255
    • Defelice, B.C.1
  • 146
    • 4444270522 scopus 로고    scopus 로고
    • Understanding the emergence of 'open science' institutions: Functionalist economics in historical context
    • David, P. A. Understanding the emergence of 'open science' institutions: Functionalist economics in historical context. Ind. Corp. Chang. 13, 571-589 (2004).
    • (2004) Ind. Corp. Chang. , vol.13 , pp. 571-589
    • David, P.A.1
  • 148
    • 84989813288 scopus 로고    scopus 로고
    • Where are the data
    • No authors listed
    • [No authors listed.] Where are the data Nat. Meth. 13, 799 (2016).
    • (2016) Nat. Meth. , vol.13 , pp. 799
  • 149
    • 84975246894 scopus 로고    scopus 로고
    • 1, 500 scientists lift the lid on reproducibility
    • Baker, M. 1, 500 scientists lift the lid on reproducibility. Nature 533, 452-454 (2016).
    • (2016) Nature , vol.533 , pp. 452-454
    • Baker, M.1
  • 150
    • 85041557935 scopus 로고    scopus 로고
    • The roles of academic libraries in propagating open science: A qualitative literature review
    • Ogungbeni, J. I., Obiamalu, A. R., Ssemambo, S., Bazibu, C. M. The roles of academic libraries in propagating open science: A qualitative literature review. Inf. Dev. http://dx.doi. org/10.1177/0266666916678444 (2016).
    • (2016) Inf. Dev.
    • Ogungbeni, J.I.1    Obiamalu, A.R.2    Ssemambo, S.3    Bazibu, C.M.4
  • 152
    • 84883864245 scopus 로고    scopus 로고
    • Meta-analyses of studies of the human microbiota
    • Lozupone, C. A. et al. Meta-analyses of studies of the human microbiota. Genome Res. 23, 1704-1714 (2013).
    • (2013) Genome Res. , vol.23 , pp. 1704-1714
    • Lozupone, C.A.1
  • 153
    • 84992221969 scopus 로고    scopus 로고
    • Tiny microbes, enormous impacts: What matters in gut microbiome studies
    • Debelius, J. et al. Tiny microbes, enormous impacts: What matters in gut microbiome studies Genome Biol. 17, 217 (2016).
    • (2016) Genome Biol. , vol.17 , pp. 217
    • Debelius, J.1
  • 154
    • 84978134353 scopus 로고    scopus 로고
    • Microbiome-wide association studies link dynamic microbial consortia to disease
    • Gilbert, J. A. et al. Microbiome-wide association studies link dynamic microbial consortia to disease. Nature 535, 94-103 (2016).
    • (2016) Nature , vol.535 , pp. 94-103
    • Gilbert, J.A.1
  • 155
    • 84978254473 scopus 로고    scopus 로고
    • Quantitative comparison of tandem mass spectra obtained on various instruments
    • Bazs, F. L. et al. Quantitative comparison of tandem mass spectra obtained on various instruments. J. Am. Soc. Mass Spectrom. 27, 1357-1365 (2016).
    • (2016) J. Am. Soc. Mass Spectrom. , vol.27 , pp. 1357-1365
    • Bazs, F.L.1
  • 156
    • 0023861227 scopus 로고
    • JCAMP-DX: A standard form for exchange of infrared spectra in computer readable form
    • McDonald, R. S., Wilks, P. A. JCAMP-DX: A standard form for exchange of infrared spectra in computer readable form. Appl. Spectrosc. 42, 1 51-162 (1988).
    • (1988) Appl. Spectrosc. , vol.42 , pp. 151-162
    • McDonald, R.S.1    Wilks, P.A.2
  • 157
    • 78651082595 scopus 로고    scopus 로고
    • MzML-A community standard for mass spectrometry data
    • Martens, L. et al. mzML-A community standard for mass spectrometry data. Mol. Cell. Proteomics 10, R110.000133 (2011).
    • (2011) Mol. Cell. Proteomics , vol.10 , pp. R110000133
    • Martens, L.1
  • 158
    • 8344284323 scopus 로고    scopus 로고
    • A common open representation of mass spectrometry data and its application to proteomics research
    • Pedrioli, P. G. A. et al. A common open representation of mass spectrometry data and its application to proteomics research. Nat. Biotechnol. 22, 1459-1466 (2004).
    • (2004) Nat. Biotechnol. , vol.22 , pp. 1459-1466
    • Pedrioli, P.G.A.1
  • 159
    • 70349669083 scopus 로고    scopus 로고
    • Unifying biological image formats with HDF5
    • Dougherty, M. T. et al. Unifying biological image formats with HDF5. Commun. ACM 52, 42-47 (2009).
    • (2009) Commun. ACM , vol.52 , pp. 42-47
    • Dougherty, M.T.1
  • 160
    • 84870721324 scopus 로고    scopus 로고
    • File formats commonly used in mass spectrometry proteomics
    • Deutsch, E. W. File formats commonly used in mass spectrometry proteomics. Mol. Cell. Proteomics 11, 1612-1621 (2012).
    • (2012) Mol. Cell. Proteomics , vol.11 , pp. 1612-1621
    • Deutsch, E.W.1
  • 161
    • 26444567282 scopus 로고    scopus 로고
    • Vector analysis of multi-measurements identification
    • Alfassi, Z. B. et al. Vector analysis of multi-measurements identification. J. Radioanal. Nucl. Chem. 266, 245-250 (2005).
    • (2005) J. Radioanal. Nucl. Chem. , vol.266 , pp. 245-250
    • Alfassi, Z.B.1
  • 162
    • 84992218684 scopus 로고    scopus 로고
    • Standard specification for analytical data interchange protocol for chromatographic data
    • ASTM International
    • ASTM International. Standard specification for analytical data interchange protocol for chromatographic data. ASTM http://dx.doi. org/10.1520/E1947-98R14 (2014).
    • (2014) ASTM
  • 163
    • 84944278465 scopus 로고    scopus 로고
    • COordination of Standards in MetabOlomicS (COSMOS): Facilitating integrated metabolomics data access
    • Salek, R. M. et al. COordination of Standards in MetabOlomicS (COSMOS): Facilitating integrated metabolomics data access. Metabolomics 11, 1587-1597 (2015).
    • (2015) Metabolomics , vol.11 , pp. 1587-1597
    • Salek, R.M.1
  • 164
    • 84939557642 scopus 로고    scopus 로고
    • Minimum information about a biosynthetic gene cluster
    • Medema, M. H. et al. Minimum information about a biosynthetic gene cluster. Nat. Chem. Biol. 11, 625-631 (2015).
    • (2015) Nat. Chem. Biol. , vol.11 , pp. 625-631
    • Medema, M.H.1
  • 165
    • 84878234603 scopus 로고    scopus 로고
    • Databases of the thiotemplate modular systems (CSDB) and their in silico recombinants (r-CSDB)
    • Diminic, J. et al. Databases of the thiotemplate modular systems (CSDB) and their in silico recombinants (r-CSDB). J. Ind. Microbiol. Biotechnol. 40, 653-659 (2013).
    • (2013) J. Ind. Microbiol. Biotechnol. , vol.40 , pp. 653-659
    • Diminic, J.1
  • 166
    • 84894253274 scopus 로고    scopus 로고
    • Life science technologies: Miniaturizing mass spectrometry
    • Perkel, J. M. Life science technologies: Miniaturizing mass spectrometry. Science 343, 928-930 (2014).
    • (2014) Science , vol.343 , pp. 928-930
    • Perkel, J.M.1
  • 167
    • 84941776656 scopus 로고    scopus 로고
    • Innovation in metabolomics to improve personalized healthcare
    • Cacciatore, S., Loda, M. Innovation in metabolomics to improve personalized healthcare. Ann. NY Acad. Sci. 1346, 57-62 (2015).
    • (2015) Ann. NY Acad. Sci. , vol.1346 , pp. 57-62
    • Cacciatore, S.1    Loda, M.2
  • 168
    • 85027182811 scopus 로고    scopus 로고
    • Data streaming for metabolomics: Accelerating data processing and analysis from days to minutes
    • Montenegro-Burke, J. R. et al. Data streaming for metabolomics: Accelerating data processing and analysis from days to minutes. Anal. Chem. 89, 1254-1259 (2016).
    • (2016) Anal. Chem. , vol.89 , pp. 1254-1259
    • Montenegro-Burke, J.R.1
  • 169
    • 84979792300 scopus 로고    scopus 로고
    • Technology: Smartphone science
    • Cartwright, J. Technology: Smartphone science. Nature 531, 669-671 (2016).
    • (2016) Nature , vol.531 , pp. 669-671
    • Cartwright, J.1
  • 170
    • 85009865387 scopus 로고    scopus 로고
    • Metabolizing data in the cloud
    • Warth, B. et al. Metabolizing data in the cloud. Trends Biotechnol. 35, 481-483 (2017).
    • (2017) Trends Biotechnol. , vol.35 , pp. 481-483
    • Warth, B.1
  • 171
    • 84902174402 scopus 로고    scopus 로고
    • Metabolomic data streaming for biology-dependent data acquisition
    • Rinehart, D. et al. Metabolomic data streaming for biology-dependent data acquisition. Nat. Biotechnol. 32, 524-527 (2014).
    • (2014) Nat. Biotechnol. , vol.32 , pp. 524-527
    • Rinehart, D.1
  • 172
    • 84989900449 scopus 로고    scopus 로고
    • Smartphone analytics: Mobilizing the lab into the cloud for omic-scale analyses
    • Montenegro-Burke, J. R. et al. Smartphone analytics: Mobilizing the lab into the cloud for omic-scale analyses. Anal. Chem. 88, 9753-9758 (2016).
    • (2016) Anal. Chem. , vol.88 , pp. 9753-9758
    • Montenegro-Burke, J.R.1
  • 173
    • 84996565906 scopus 로고    scopus 로고
    • Illuminating a plant's tissue-specific metabolic diversity using computational metabolomics and information theory
    • Li, D., Heiling, S., Baldwin, I. T., Gaquerel, E. Illuminating a plant's tissue-specific metabolic diversity using computational metabolomics and information theory. Proc. Natl Acad. Sci. USA 113, E7610-E7618 (2016).
    • (2016) Proc. Natl Acad. Sci. USA , vol.113 , pp. E7610-E7618
    • Li, D.1    Heiling, S.2    Baldwin, I.T.3    Gaquerel, E.4
  • 174
    • 84948151714 scopus 로고    scopus 로고
    • Local false discovery rate estimation using feature reliability in LC/MS metabolomics data
    • Chong, E. Y. et al. Local false discovery rate estimation using feature reliability in LC/MS metabolomics data. Sci. Rep. 5, 17221 (2015).
    • (2015) Sci. Rep. , vol.5 , pp. 17221
    • Chong, E.Y.1
  • 176
    • 84978962453 scopus 로고    scopus 로고
    • Wearable chemical sensors: Present challenges and future prospects
    • Bandodkar, A. J., Jeerapan, I., Wang, J. Wearable chemical sensors: Present challenges and future prospects. ACS Sensors 1, 464-482 (2016).
    • (2016) ACS Sensors , vol.1 , pp. 464-482
    • Bandodkar, A.J.1    Jeerapan, I.2    Wang, J.3
  • 178
    • 77955515058 scopus 로고    scopus 로고
    • Detection of lung, breast, colorectal, and prostate cancers from exhaled breath using a single array of nanosensors
    • Peng, G. et al. Detection of lung, breast, colorectal, and prostate cancers from exhaled breath using a single array of nanosensors. Br. J. Cancer 103, 542-551 (2010).
    • (2010) Br. J. Cancer , vol.103 , pp. 542-551
    • Peng, G.1
  • 179
    • 85027191513 scopus 로고
    • Mass spectral and GC data of drugs, poisons, pesticides, pollutants and their metabolites (Parts 1, 2, 3)
    • Clement, R. E. Mass spectral and GC data of drugs, poisons, pesticides, pollutants and their metabolites (Parts 1, 2, 3). Environ. Sci. Pollut. Res. 1, 58-58 (1994).
    • (1994) Environ. Sci. Pollut. Res. , vol.1 , pp. 58
    • Clement, R.E.1
  • 181
    • 77954439868 scopus 로고    scopus 로고
    • MassBank: A public repository for sharing mass spectral data for life sciences
    • Horai, H. et al. MassBank: A public repository for sharing mass spectral data for life sciences. J. Mass Spectrom. 45, 703-714 (2010).
    • (2010) J. Mass Spectrom. , vol.45 , pp. 703-714
    • Horai, H.1
  • 182
    • 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
  • 183
    • 84885084934 scopus 로고    scopus 로고
    • High-resolution MS MS/MS, and UV database of fungal secondary metabolites as a dereplication protocol for bioactive natural products
    • El-Elimat, T. et al. High-resolution MS, MS/MS, and UV database of fungal secondary metabolites as a dereplication protocol for bioactive natural products. J. Nat. Prod. 76, 1709-1716 (2013).
    • (2013) J. Nat. Prod. , vol.76 , pp. 1709-1716
    • El-Elimat, T.1
  • 184
    • 71449093416 scopus 로고    scopus 로고
    • ESI-MS/MS library of 1, 253 compounds for application in forensic and clinical toxicology
    • Dresen, S., Gergov, M., Politi, L., Halter, C., Weinmann, W. ESI-MS/MS library of 1, 253 compounds for application in forensic and clinical toxicology. Anal. Bioanal. Chem. 395, 2521-2526 (2009).
    • (2009) Anal. Bioanal. Chem. , vol.395 , pp. 2521-2526
    • Dresen, S.1    Gergov, M.2    Politi, L.3    Halter, C.4    Weinmann, W.5
  • 185
    • 84984985904 scopus 로고    scopus 로고
    • The WEIZMASS spectral library for high-confidence metabolite identification
    • Shahaf, N. et al. The WEIZMASS spectral library for high-confidence metabolite identification. Nat. Commun. 7, 12423 (2016).
    • (2016) Nat. Commun. , vol.7 , pp. 12423
    • Shahaf, N.1
  • 186
    • 84865247010 scopus 로고    scopus 로고
    • RIKEN tandem mass spectral database (ReSpect) for phytochemicals: A plant-specific MS/MS-based data resource and database
    • Sawada, Y. et al. RIKEN tandem mass spectral database (ReSpect) for phytochemicals: A plant-specific MS/MS-based data resource and database. Phytochemistry 82, 38-45 (2012).
    • (2012) Phytochemistry , vol.82 , pp. 38-45
    • Sawada, Y.1
  • 187
    • 79958140993 scopus 로고    scopus 로고
    • Quality evaluation of tandem mass spectral libraries
    • Oberacher, H., Weinmann, W., Dresen, S. Quality evaluation of tandem mass spectral libraries. Anal. Bioanal. Chem. 400, 2641-2648 (2011).
    • (2011) Anal. Bioanal. Chem. , vol.400 , pp. 2641-2648
    • Oberacher, H.1    Weinmann, W.2    Dresen, S.3
  • 188
    • 84957096258 scopus 로고    scopus 로고
    • Mass spectral databases for LC/MS and GC/MS-based metabolomics: State of the field and future prospects
    • Vinaixa, M. et al. Mass spectral databases for LC/MS and GC/MS-based metabolomics: State of the field and future prospects. TrAC Trends Anal. Chem. 78, 23-35 (2015).
    • (2015) TrAC Trends Anal. Chem. , vol.78 , pp. 23-35
    • Vinaixa, M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.