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Volumn 21, Issue , 2017, Pages 313-319

Strategies for dereplication of natural compounds using high-resolution tandem mass spectrometry

Author keywords

Dereplication; MS FINDER; Natural products; Seven Golden Rules; Tandem mass spectra

Indexed keywords

ABIETIC ACID; ALIZARIN; ALKALOID DERIVATIVE; ANTHRONE; BRUCINE; CREATININE; CYMOSIDE; CYTOCHALASIN B; DIBROMOPHAKELLIN; ESTRONE GLUCURONIDE; FLAVONE; MEDROXYPROGESTERONE; MONENSIN; NATURAL PRODUCT; OROIDIN; PURPURIN; PYRROLE DERIVATIVE; THYROXINE; UNCLASSIFIED DRUG;

EID: 85006817826     PISSN: 18743900     EISSN: 18767486     Source Type: Journal    
DOI: 10.1016/j.phytol.2016.11.006     Document Type: Review
Times cited : (28)

References (45)
  • 2
    • 66449106449 scopus 로고    scopus 로고
    • A Typical Class of Marine Alkaloids: Bromopyrroles, Modern Alkaloids
    • Wiley-VCH Verlag GmbH & Co. KGaA pp
    • Aiello, A., Fattorusso, E., Menna, M., Taglialatela-Scafati, O., A Typical Class of Marine Alkaloids: Bromopyrroles, Modern Alkaloids. 2007, Wiley-VCH Verlag GmbH & Co. KGaA, pp, 271–304.
    • (2007) , pp. 271-304
    • Aiello, A.1    Fattorusso, E.2    Menna, M.3    Taglialatela-Scafati, O.4
  • 3
    • 84904810329 scopus 로고    scopus 로고
    • CFM-ID: a web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra
    • Allen, F., Pon, A., Wilson, M., Greiner, R., Wishart, D., CFM-ID: a web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra. Nucleic Acids Res. 42 (2014), W94–W99.
    • (2014) Nucleic Acids Res. , vol.42 , pp. W94-W99
    • Allen, F.1    Pon, A.2    Wilson, M.3    Greiner, R.4    Wishart, D.5
  • 4
    • 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 (2015), 98–110.
    • (2015) Metabolomics , vol.11 , pp. 98-110
    • Allen, F.1    Greiner, R.2    Wishart, D.3
  • 5
    • 0030745968 scopus 로고    scopus 로고
    • Rubia tinctorum a source of natural dyes: agronomic evaluation, quantitative analysis of alizarin and industrial assays
    • Angelini, L.G., Pistelli, L., Belloni, P., Bertoli, A., Panconesi, S., Rubia tinctorum a source of natural dyes: agronomic evaluation, quantitative analysis of alizarin and industrial assays. Ind. Crops Prod. 6 (1997), 303–311.
    • (1997) Ind. Crops Prod. , vol.6 , pp. 303-311
    • Angelini, L.G.1    Pistelli, L.2    Belloni, P.3    Bertoli, A.4    Panconesi, S.5
  • 6
    • 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 (2009), 218–224.
    • (2009) Bioinformatics , vol.25 , pp. 218-224
    • Böcker, S.1    Letzel, M.C.2    Lipták, Z.3    Pervukhin, A.4
  • 7
    • 85029560708 scopus 로고    scopus 로고
    • JChem Base Sofware
    • ChemAxon
    • ChemAxon, JChem Base Sofware. 2016, ChemAxon, v16.4.1.
    • (2016) , pp. v16.4.1
    • ChemAxon1
  • 8
    • 0028575381 scopus 로고
    • Strategies for database dereplication of natural products
    • Corley, D.G., Durley, R.C., Strategies for database dereplication of natural products. J. Nat. Prod. 57 (1994), 1484–1490.
    • (1994) J. Nat. Prod. , vol.57 , pp. 1484-1490
    • Corley, D.G.1    Durley, R.C.2
  • 9
    • 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. 112 (2015), 12580–12585.
    • (2015) Proc. Natl. Acad. Sci. , vol.112 , pp. 12580-12585
    • Dührkop, K.1    Shen, H.2    Meusel, M.3    Rousu, J.4    Böcker, S.5
  • 10
    • 0342685190 scopus 로고
    • The story of dyes and dyeing
    • Decelles, C., The story of dyes and dyeing. J. Chem. Edu., 26, 1949, 583.
    • (1949) J. Chem. Edu. , vol.26 , pp. 583
    • Decelles, C.1
  • 11
    • 1842393106 scopus 로고
    • Joseph Pelletier and Joseph Caventou
    • Delepine, M., Joseph Pelletier and Joseph Caventou. J. Chem. Edu., 28, 1951, 454.
    • (1951) J. Chem. Edu. , vol.28 , pp. 454
    • Delepine, M.1
  • 12
    • 0027074951 scopus 로고
    • Steroid research at Syntex:“the pill” and cortisone
    • Djerassi, C., Steroid research at Syntex:“the pill” and cortisone. Steroids 57 (1992), 631–641.
    • (1992) Steroids , vol.57 , pp. 631-641
    • Djerassi, C.1
  • 14
    • 32644447581 scopus 로고
    • New bromo-pyrrole derivatives from the sponge Agelas oroides
    • Forenza, S., Minale, L., Riccio, R., Fattorusso, E., New bromo-pyrrole derivatives from the sponge Agelas oroides. J. Chem. Soc. D, 1971, 1129–1130.
    • (1971) J. Chem. Soc. D , pp. 1129-1130
    • Forenza, S.1    Minale, L.2    Riccio, R.3    Fattorusso, E.4
  • 15
    • 84876736739 scopus 로고    scopus 로고
    • Use of natural products as chemical library for drug discovery and network pharmacology
    • Gu, J., Gui, Y., Chen, L., Yuan, G., Lu, H.-Z., Xu, X., Use of natural products as chemical library for drug discovery and network pharmacology. PLoS One, 8, 2013, e62839.
    • (2013) PLoS One , vol.8 , pp. e62839
    • Gu, J.1    Gui, Y.2    Chen, L.3    Yuan, G.4    Lu, H.-Z.5    Xu, X.6
  • 19
    • 37049150622 scopus 로고
    • CXXIII.—the constituents of the sandarac resins
    • Henry, T.A., CXXIII.—the constituents of the sandarac resins. J. Chem. Soci. Trans. 79 (1901), 1144–1164.
    • (1901) J. Chem. Soci. Trans. , vol.79 , pp. 1144-1164
    • Henry, T.A.1
  • 20
    • 0012158248 scopus 로고
    • On the botany of James Bruce's expedition to the source of the Blue Nile 1768–1773
    • Hepper, F.N., On the botany of James Bruce's expedition to the source of the Blue Nile 1768–1773. J. Soc. Bibliogr. Nat. Hist. 9 (1980), 527–537.
    • (1980) J. Soc. Bibliogr. Nat. Hist. , vol.9 , pp. 527-537
    • Hepper, F.N.1
  • 21
    • 0027050071 scopus 로고
    • Steroids, the steroid community, and Upjohn in perspective: a profile of innovation
    • Hogg, J.A., Steroids, the steroid community, and Upjohn in perspective: a profile of innovation. Steroids 57 (1992), 593–616.
    • (1992) Steroids , vol.57 , pp. 593-616
    • Hogg, J.A.1
  • 24
    • 84943668483 scopus 로고
    • The active constituent of the thyroid: chemical groups that are responsible for its physiologic activity
    • Kendall, E.C., The active constituent of the thyroid: chemical groups that are responsible for its physiologic activity. J. Am. Med. Assoc. 71 (1918), 871–873.
    • (1918) J. Am. Med. Assoc. , vol.71 , pp. 871-873
    • Kendall, E.C.1
  • 25
    • 54949129419 scopus 로고    scopus 로고
    • ProteoWizard: open source software for rapid proteomics tools development
    • Kessner, D., Chambers, M., Burke, R., Agus, D., Mallick, P., ProteoWizard: open source software for rapid proteomics tools development. Bioinformatics 24 (2008), 2534–2536.
    • (2008) Bioinformatics , vol.24 , pp. 2534-2536
    • Kessner, D.1    Chambers, M.2    Burke, R.3    Agus, D.4    Mallick, P.5
  • 26
    • 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 Bioinform., 8, 2007, 1.
    • (2007) BMC Bioinform. , vol.8 , pp. 1
    • Kind, T.1    Fiehn, O.2
  • 27
    • 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 (2010), 23–60.
    • (2010) Bioanal. Rev. , vol.2 , pp. 23-60
    • Kind, T.1    Fiehn, O.2
  • 28
    • 67649785231 scopus 로고    scopus 로고
    • How large is the metabolome? A critical analysis of data exchange practices in chemistry
    • Kind, T., Scholz, M., Fiehn, O., How large is the metabolome? A critical analysis of data exchange practices in chemistry. PLoS One, 4, 2009, e5440.
    • (2009) PLoS One , vol.4 , pp. e5440
    • Kind, T.1    Scholz, M.2    Fiehn, O.3
  • 30
    • 0018826078 scopus 로고
    • Creatinine: a review
    • Narayanan, S., Appleton, H., Creatinine: a review. Clin. Chem. 26 (1980), 1119–1126.
    • (1980) Clin. Chem. , vol.26 , pp. 1119-1126
    • Narayanan, S.1    Appleton, H.2
  • 32
    • 78449296488 scopus 로고    scopus 로고
    • ChemSpider: an online chemical information resource
    • Pence, H.E., Williams, A., ChemSpider: an online chemical information resource. J. Chem. Edu. 87 (2010), 1123–1124.
    • (2010) J. Chem. Edu. , vol.87 , pp. 1123-1124
    • Pence, H.E.1    Williams, A.2
  • 33
    • 37049161366 scopus 로고
    • LXXV.-the colouring principles of Ventilago madraspatana
    • Perkin, A.G., Hummel, J.J., LXXV.-the colouring principles of Ventilago madraspatana. J. Chem. Soc. Trans. 65 (1894), 923–944.
    • (1894) J. Chem. Soc. Trans. , vol.65 , pp. 923-944
    • Perkin, A.G.1    Hummel, J.J.2
  • 34
    • 0036909567 scopus 로고    scopus 로고
    • Small molecules, big impact: a history of chemical inhibitors and the cytoskeleton
    • Peterson, J.R., Mitchison, T.J., Small molecules, big impact: a history of chemical inhibitors and the cytoskeleton. Chem. Biol. 9 (2002), 1275–1285.
    • (2002) Chem. Biol. , vol.9 , pp. 1275-1285
    • Peterson, J.R.1    Mitchison, T.J.2
  • 35
    • 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., Orešič, M., MZmine 2: modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data. BMC Bioinform., 11, 2010, 1.
    • (2010) BMC Bioinform. , vol.11 , pp. 1
    • Pluskal, T.1    Castillo, S.2    Villar-Briones, A.3    Orešič, M.4
  • 36
    • 0142068213 scopus 로고
    • Structure of dibromophakellin, a new bromine-containing alkaloid from the marine sponge Phakellia flabellata
    • Sharma, G., Burkholder, P., Structure of dibromophakellin, a new bromine-containing alkaloid from the marine sponge Phakellia flabellata. J. Chem. Soc. D, 1971, 151–152.
    • (1971) J. Chem. Soc. D , pp. 151-152
    • Sharma, G.1    Burkholder, P.2
  • 37
    • 84870009623 scopus 로고    scopus 로고
    • Fate and transformation of an estrogen conjugate and its metabolites in agricultural soils
    • Shrestha, S.L., Casey, F.X., Hakk, H., Smith, D.J., Padmanabhan, G., Fate and transformation of an estrogen conjugate and its metabolites in agricultural soils. Environ. Sci. Technol. 46 (2012), 11047–11053.
    • (2012) Environ. Sci. Technol. , vol.46 , pp. 11047-11053
    • Shrestha, S.L.1    Casey, F.X.2    Hakk, H.3    Smith, D.J.4    Padmanabhan, G.5
  • 38
  • 39
    • 84961930457 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., Fahy, E., Cotter, D., Azam, K., Vadivelu, I., Burant, C., Edison, A., Fiehn, O., Higashi, R., Nair, K.S., Metabolomics Workbench: an international repository for metabolomics data and metadata, metabolite standards, protocols, tutorials and training, and analysis tools. Nucleic Acids Res., 2015, gkv1042.
    • (2015) Nucleic Acids Res. , pp. gkv1042
    • Sud, M.1    Fahy, E.2    Cotter, D.3    Azam, K.4    Vadivelu, I.5    Burant, C.6    Edison, A.7    Fiehn, O.8    Higashi, R.9    Nair, K.S.10
  • 40
    • 0345044557 scopus 로고
    • Stanislaus von kostanecki (16. April 1860–15. November 1910)
    • Tambor, J., Stanislaus von kostanecki (16. April 1860–15. November 1910). Berichte der deutschen chemischen Gesellschaft 45 (1912), 1683–1707.
    • (1912) Berichte der deutschen chemischen Gesellschaft , vol.45 , pp. 1683-1707
    • Tambor, J.1
  • 41
    • 84972971165 scopus 로고
    • Between broken root and artificial alizarin: textile arts and manufactures of madder
    • Travis, A.S., Between broken root and artificial alizarin: textile arts and manufactures of madder. Hist. Technol. Int. J. 12 (1994), 1–22.
    • (1994) Hist. Technol. Int. J. , vol.12 , pp. 1-22
    • Travis, A.S.1
  • 42
    • 84983048041 scopus 로고    scopus 로고
    • Hydrogen rearrangement rules: computational MS/MS fragmentation and structure elucidation using MS-FINDER software
    • Tsugawa, H., Kind, T., Nakabayashi, R., Yukihira, D., Tanaka, W., Cajka, T., Saito, K., Fiehn, O., Arita, M., Hydrogen rearrangement rules: computational MS/MS fragmentation and structure elucidation using MS-FINDER software. Anal. Chem. 88 (2016), 7946–7958.
    • (2016) Anal. Chem. , vol.88 , pp. 7946-7958
    • Tsugawa, H.1    Kind, T.2    Nakabayashi, R.3    Yukihira, D.4    Tanaka, W.5    Cajka, T.6    Saito, K.7    Fiehn, O.8    Arita, M.9
  • 44
    • 84878915943 scopus 로고    scopus 로고
    • Pierre-Jean Robiquet
    • Wisniak, J., Pierre-Jean Robiquet. educación química 24 (2013), 139–149.
    • (2013) educación química , vol.24 , pp. 139-149
    • Wisniak, J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.