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Volumn 1, Issue 2, 2011, Pages 135-145

Mass defect filter-a new tool to expedite screening and dereplication of natural products and generate natural product profiles

Author keywords

Dereplication; Mass defect filter; Mass spectrometry; Natural product profile; Natural products; Screening

Indexed keywords

ALKALOID DERIVATIVE; APIGENIN; CATECHIN; COUMARIN DERIVATIVE; DAIDZEIN; ERIODICTYOL; FLAVONOID; FRITILLARIA THUNBERGII EXTRACT; GENISTEIN; GLYCITEIN; GLYCYRRHIZIC ACID DERIVATIVE; HESPERETIN; HOMOERIODICTYOL; ISORHAMNETIN; KAEMPFEROL; LUTEOLIN; METHANOL; MYRICETIN; NARINGENIN; NATURAL PRODUCT; PACHYPODOL; QUERCETIN; RADIX GLYCYRRHIZAE EXTRACT; RHAMNAZIN; TAXIFOLIN; TRITERPENOID; UNCLASSIFIED DRUG;

EID: 84976415527     PISSN: 22103155     EISSN: 22103163     Source Type: Journal    
DOI: 10.2174/2210315511101020135     Document Type: Article
Times cited : (7)

References (37)
  • 2
    • 0030959559 scopus 로고    scopus 로고
    • Screening for Annonaceous acetogenins in bioactive plant extracts by liquid chromatography/mass spectrometry
    • Gu, Z.M.; Zhou D.; Wu, J.; Shi, G.; Lu, Z.; McLaughlin, J. Screening for Annonaceous acetogenins in bioactive plant extracts by liquid chromatography/mass spectrometry. J. Nat. Prod., 1997, 60, 242-248.
    • (1997) J. Nat. Prod , vol.60 , pp. 242-248
    • Gu, Z.M.1    Zhou, D.2    Wu, J.3    Shi, G.4    Lu, Z.5    McLaughlin, J.6
  • 3
    • 0030561138 scopus 로고    scopus 로고
    • Rapid analysis of antibiotic-containing mixtures from fermentation broths by using liquid chromatography-electrospray ionization-mass spectrometry and matrix-assisted laser desorption ionization-time-of-flight-mass spectrometry
    • Ackermann, B.L.; Regg, B.T.; Colombo, L.; Stella, S.; Coutant, J.E. Rapid analysis of antibiotic-containing mixtures from fermentation broths by using liquid chromatography-electrospray ionization-mass spectrometry and matrix-assisted laser desorption ionization-time-of-flight-mass spectrometry. J. Am. Soc. Mass Spectrom., 1996, 7, 1227-1237.
    • (1996) J. Am. Soc. Mass Spectrom , vol.7 , pp. 1227-1237
    • Ackermann, B.L.1    Regg, B.T.2    Colombo, L.3    Stella, S.4    Coutant, J.E.5
  • 6
    • 33745119039 scopus 로고    scopus 로고
    • Precursor ion scanning for the nontargeted detection of individual arsenosugars in extracts of marine organisms
    • Kanaki, K.; Pergantis, S.A. Precursor ion scanning for the nontargeted detection of individual arsenosugars in extracts of marine organisms. Rapid Commun. Mass Spec., 2006, 20, 1925-1931.
    • (2006) Rapid Commun. Mass Spec , vol.20 , pp. 1925-1931
    • Kanaki, K.1    Pergantis, S.A.2
  • 8
    • 0242521617 scopus 로고    scopus 로고
    • A software filter to remove interference ions from drug metabolites in accurate mass liquid chromatography/ mass spectrometric analyses
    • Zhang, H.; Zhang, D.; Ray, K. A software filter to remove interference ions from drug metabolites in accurate mass liquid chromatography/ mass spectrometric analyses. J. Mass Spec., 2003, 38, 1110-1112.
    • (2003) J Mass Spec , vol.38 , pp. 1110-1112
    • Zhang, H.1    Zhang, D.2    Ray, K.3
  • 9
    • 33748902567 scopus 로고    scopus 로고
    • Detection and characterization of metabolites in biological matrices using mass defect filtering of liquid chromatography/high resolution mass spectrometry data
    • Zhu, M.; Ma, L.; Zhang, D.; Ray, K.; Zhao, W.; Humphreys, W.G.; Skiles, G.; Sanders, M.; Zhang, H. Detection and characterization of metabolites in biological matrices using mass defect filtering of liquid chromatography/high resolution mass spectrometry data. Drug Metab. Dispos., 2006, 34, 1722-1733.
    • (2006) Drug Metab. Dispos , vol.34 , pp. 1722-1733
    • Zhu, M.1    Ma, L.2    Zhang, D.3    Ray, K.4    Zhao, W.5    Humphreys, W.G.6    Skiles, G.7    Sanders, M.8    Zhang, H.9
  • 10
    • 33644839473 scopus 로고    scopus 로고
    • Accurate mass measurement for the determination of elemental formula--a tutorial
    • Bristow, A.W. Accurate mass measurement for the determination of elemental formula--a tutorial. Mass Spec. Rev., 2006, 25, 99-111.
    • (2006) Mass Spec. Rev , vol.25 , pp. 99-111
    • Bristow, A.W.1
  • 11
    • 57249091714 scopus 로고    scopus 로고
    • Orbitrap mass spectrometry: Instrumentation, ion motion and applications
    • Perry, R.H.; Cooks, R.G.; Noll, R.J. Orbitrap mass spectrometry: instrumentation, ion motion and applications. Mass Spec. Rev., 2008, 27, 661-699.
    • (2008) Mass Spec. Rev , vol.27 , pp. 661-699
    • Perry, R.H.1    Cooks, R.G.2    Noll, R.J.3
  • 12
    • 33344464424 scopus 로고    scopus 로고
    • Application of a linear ion trap/orbitrap mass spectrometer in metabolite characterization studies: Examination of the human liver microsomal metabolism of the non-tricyclic antidepressant nefazodone using data-dependent accurate mass measurements
    • Peterman, S.M.; Duczak, N. Jr.; Kalgutkar, A.S.; Lame, M.E.; Soglia, R. Application of a linear ion trap/orbitrap mass spectrometer in metabolite characterization studies: examination of the human liver microsomal metabolism of the non-tricyclic antidepressant nefazodone using data-dependent accurate mass measurements. J. Am. Soc. Mass Spec., 2006, 17, 363-375.
    • (2006) J. Am. Soc. Mass Spec , vol.17 , pp. 363-375
    • Peterman, S.M.1    Duczak Jr., N.2    Kalgutkar, A.S.3    Lame, M.E.4    Soglia, R.5
  • 13
    • 0034652244 scopus 로고    scopus 로고
    • Quantification and rapid metabolite identification in drug discovery using API time-offlight LC/MS
    • Zhang, N.; Fountain, S.T.; Bi, H.; Rossi, D.T. Quantification and rapid metabolite identification in drug discovery using API time-offlight LC/MS. Anal. Chem., 2000, 72, 800-806.
    • (2000) Anal. Chem , vol.72 , pp. 800-806
    • Zhang, N.1    Fountain, S.T.2    Bi, H.3    Rossi, D.T.4
  • 14
    • 34250707998 scopus 로고    scopus 로고
    • Metabolite identification by data-dependent accurate mass spectrometric analysis at resolving power of 60,000 in external calibration mode using an LTQ/Orbitrap
    • Lim, H.K.; Chen, J.; Sensenhauser, C.; Cook, K.; Subrahmanyam, V. Metabolite identification by data-dependent accurate mass spectrometric analysis at resolving power of 60,000 in external calibration mode using an LTQ/Orbitrap. Rapid Commun. Mass Spec., 2007, 21, 1821-1832.
    • (2007) Rapid Commun. Mass Spec , vol.21 , pp. 1821-1832
    • Lim, H.K.1    Chen, J.2    Sensenhauser, C.3    Cook, K.4    Subrahmanyam, V.5
  • 15
    • 56149091565 scopus 로고    scopus 로고
    • Rapid metabolite identification with sub parts-per-million mass accuracy from biological matrices by direct infusion nanoelectrospray ionization after clean-up on a ZipTip and LTQ/Orbitrap mass spectrometry
    • Erve, J.C.; Demaio, W.; Talaat, R.E. Rapid metabolite identification with sub parts-per-million mass accuracy from biological matrices by direct infusion nanoelectrospray ionization after clean-up on a ZipTip and LTQ/Orbitrap mass spectrometry. Rapid Commun. Mass Spec., 2008, 22, 3015-3026.
    • (2008) Rapid Commun. Mass Spec , vol.22 , pp. 3015-3026
    • Erve, J.C.1    Demaio, W.2    Talaat, R.E.3
  • 16
    • 47749089748 scopus 로고    scopus 로고
    • Introduction of HPLC/orbitrap mass spectrometry as screening method for doping control
    • Virus, E.D.; Sobolevsky, T.G.; Rodchenkov, G.M. Introduction of HPLC/orbitrap mass spectrometry as screening method for doping control. J. Mass Spec., 2008, 43, 949-957.
    • (2008) J. Mass Spec , vol.43 , pp. 949-957
    • Virus, E.D.1    Sobolevsky, T.G.2    Rodchenkov, G.M.3
  • 17
    • 0035416421 scopus 로고    scopus 로고
    • Systematic LC/MS metabolite identification in drug discovery
    • Clarke, N.J.; Rindgen, D.; Korfmacher, W.A.; Cox, K.A. Systematic LC/MS metabolite identification in drug discovery. Anal. Chem., 2001, 73, 430A-439A.
    • (2001) Anal. Chem , vol.73
    • Clarke, N.J.1    Rindgen, D.2    Korfmacher, W.A.3    Cox, K.A.4
  • 18
    • 25144438177 scopus 로고    scopus 로고
    • Accelerated throughput metabolic route screening in early drug discovery using high-resolution liquid chromatography/quadrupole time-of-flight mass spectrometry and automated data analysis
    • Mortishire-Smith R.J.; O'Connor, D.; Castro-Perez, J.M.; Kirby, J. Accelerated throughput metabolic route screening in early drug discovery using high-resolution liquid chromatography/quadrupole time-of-flight mass spectrometry and automated data analysis. Rapid Commun. Mass Spec., 2005, 19, 2659-2670.
    • (2005) Rapid Commun. Mass Spec , vol.19 , pp. 2659-2670
    • Mortishire-Smith, R.J.1    O'Connor, D.2    Castro-Perez, J.M.3    Kirby, J.4
  • 19
    • 35848937158 scopus 로고    scopus 로고
    • Detection and structural characterization of glutathione-trapped reactive metabolites using liquid chromatography-high-resolution mass spectrometry and mass defect filtering
    • Zhu, M.; Ma, L.; Zhang, H.; Humphreys, W.G. Detection and structural characterization of glutathione-trapped reactive metabolites using liquid chromatography-high-resolution mass spectrometry and mass defect filtering. Anal. Chem., 2007, 79, 8333-8341.
    • (2007) Anal. Chem , vol.79 , pp. 8333-8341
    • Zhu, M.1    Ma, L.2    Zhang, H.3    Humphreys, W.G.4
  • 20
    • 42649118458 scopus 로고    scopus 로고
    • A generic method to detect electrophilic intermediates using isotopic pattern triggered data-dependent high-resolution accurate mass spectrometry
    • Lim, H.K.; Chen, J.; Cook, K.; Sensenhauser, C.; Silva, J.; Evans, D.C. A generic method to detect electrophilic intermediates using isotopic pattern triggered data-dependent high-resolution accurate mass spectrometry. Rapid Commun. Mass Spec., 2008, 22, 1295-1311.
    • (2008) Rapid Commun. Mass Spec , vol.22 , pp. 1295-1311
    • Lim, H.K.1    Chen, J.2    Cook, K.3    Sensenhauser, C.4    Silva, J.5    Evans, D.C.6
  • 21
    • 39749201504 scopus 로고    scopus 로고
    • An integrated method for metabolite detection and identification using a linear ion trap/Orbitrap mass spectrometer and multiple data processing techniques: Application to indinavir metabolite detection
    • Ruan, Q.; Peterman, S.; Szewc, M.A.; Ma, L.; Cui D.; Humphreys, W.G.; Zhu, M. An integrated method for metabolite detection and identification using a linear ion trap/Orbitrap mass spectrometer and multiple data processing techniques: application to indinavir metabolite detection. J. Mass Spec., 2008, 43, 251-261.
    • (2008) J. Mass Spec , vol.43 , pp. 251-261
    • Ruan, Q.1    Peterman, S.2    Szewc, M.A.3    Ma, L.4    Cui, D.5    Humphreys, W.G.6    Zhu, M.7
  • 24
    • 46849098946 scopus 로고    scopus 로고
    • Mass defect filtering on high resolution LC/MS data as a methodology for detecting metabolites with unpredictable structures: Identification of oxazole-ring opened metabolites of muraglitazar
    • Zhang, D.; Cheng, P.T.; Zhang, H. Mass defect filtering on high resolution LC/MS data as a methodology for detecting metabolites with unpredictable structures: identification of oxazole-ring opened metabolites of muraglitazar. Drug Metabo. Lett., 2007, 1, 287-292.
    • (2007) Drug Metabo. Lett , vol.1 , pp. 287-292
    • Zhang, D.1    Cheng, P.T.2    Zhang, H.3
  • 25
    • 60149105834 scopus 로고    scopus 로고
    • Extracting metabolite ions out of a matrix background by combined mass defect, neutral loss and isotope filtration
    • Cuyckens, F.; Hurkmans, R.; Castro-Perez, J.M.; Leclercq, L.; Mortishire-Smith, R.J. Extracting metabolite ions out of a matrix background by combined mass defect, neutral loss and isotope filtration. Rapid Commun. Mass Spec., 2009, 23, 327-332.
    • (2009) Rapid Commun. Mass Spec , vol.23 , pp. 327-332
    • Cuyckens, F.1    Hurkmans, R.2    Castro-Perez, J.M.3    Leclercq, L.4    Mortishire-Smith, R.J.5
  • 26
    • 33745758510 scopus 로고    scopus 로고
    • Utility of the hybrid LTQ-FTMS for drug metabolism applications
    • Sanders, M.; Shipkova, P.A.; Zhang, H.; Warrack, B.M. Utility of the hybrid LTQ-FTMS for drug metabolism applications. Curr. Drug Metabo., 2006, 7, 547-555.
    • (2006) Curr. Drug Metabo , vol.7 , pp. 547-555
    • Sanders, M.1    Shipkova, P.A.2    Zhang, H.3    Warrack, B.M.4
  • 27
    • 0030153933 scopus 로고    scopus 로고
    • A summary of the study on Fritillaria thunbergii Mig
    • Gao, W.; Li, Z.; Xiao, P. A summary of the study on Fritillaria thunbergii Mig. Zhongguo Zhong Yao Za Zhi., 1996, 21, 323-325.
    • (1996) Zhongguo Zhong Yao Za Zhi , vol.21 , pp. 323-325
    • Gao, W.1    Li, Z.2    Xiao, P.3
  • 28
    • 0036664733 scopus 로고    scopus 로고
    • Licorice root. A natural sweetener and an important ingredient in Chinese medicine
    • Kitagawa, I. Licorice root. A natural sweetener and an important ingredient in Chinese medicine. Pure Appl. Chem., 2002; 74, 1189-1198.
    • (2002) Pure Appl. Chem , vol.74 , pp. 1189-1198
    • Kitagawa, I.1
  • 29
    • 0031771122 scopus 로고    scopus 로고
    • Quantitative determination of constituents in various licorice roots by means of high performance liquid chromatography
    • Kitagawa, I.; Chen, W-Z; Taniyama, T.; Harada, E.; Hori, K.; Kobayashi, M.; Ren, J. Quantitative determination of constituents in various licorice roots by means of high performance liquid chromatography Yakugaku Zasshi, 1998, 118, 519-528.
    • (1998) Yakugaku Zasshi , vol.118 , pp. 519-528
    • Kitagawa, I.1    Chen, W.-Z.2    Taniyama, T.3    Harada, E.4    Hori, K.5    Kobayashi, M.6    Ren, J.7
  • 30
    • 0024831977 scopus 로고
    • Phenolic constituents of licorice. II. Structures of licopyranocoumarin, licoarylcoumarin and glisoflavone, and inhibitory effects of licorice phenolics on xanthine oxidase
    • Hatano, T.; Yasuhara, T.; Fukuda, T.; Noro, T.; Okuda, T. Phenolic constituents of licorice. II. Structures of licopyranocoumarin, licoarylcoumarin and glisoflavone, and inhibitory effects of licorice phenolics on xanthine oxidase. Chem. Pharm. Bull., 1989, 37, 3005-3009.
    • (1989) Chem. Pharm. Bull , vol.37 , pp. 3005-3009
    • Hatano, T.1    Yasuhara, T.2    Fukuda, T.3    Noro, T.4    Okuda, T.5
  • 31
    • 30544454201 scopus 로고    scopus 로고
    • Metabolomics reviewed: A new omics platform technology for systems biology and implications for natural products research
    • Rochfort, S. Metabolomics reviewed: a new omics platform technology for systems biology and implications for natural products research. J. Nat. Prod., 2005, 68, 1813-1820.
    • (2005) J. Nat. Prod , vol.68 , pp. 1813-1820
    • Rochfort, S.1
  • 32
    • 27744479716 scopus 로고    scopus 로고
    • The expanding role of mass spectrometry in metabolite profiling and characterization
    • Want, E.J.; Cravatt, B.F.; Åkesson, M.; Smedsgaard, J.; Nielsen, J. The expanding role of mass spectrometry in metabolite profiling and characterization. Chembiochem., 2005, 6, 1941-1951.
    • (2005) Chembiochem , vol.6 , pp. 1941-1951
    • Want, E.J.1    Cravatt, B.F.2    Åkesson, M.3    Smedsgaard, J.4    Nielsen, J.5
  • 33
    • 0345270397 scopus 로고    scopus 로고
    • Plant metabolomics: Largescale phytochemistry in the functional genomics era
    • Sumner, L.W.; Mendes, P.; Dixon, R.A. Plant metabolomics: largescale phytochemistry in the functional genomics era. Phytochemistry, 2003, 62, 817-836.
    • (2003) Phytochemistry , vol.62 , pp. 817-836
    • Sumner, L.W.1    Mendes, P.2    Dixon, R.A.3
  • 34
    • 0142040405 scopus 로고    scopus 로고
    • Metabolomics in systems biology
    • Weckwerth, W. Metabolomics in systems biology. Annu Rev. Plant Biol., 2003, 54, 669-89.
    • (2003) Annu Rev. Plant Biol , vol.54 , pp. 669-689
    • Weckwerth, W.1
  • 37
    • 1342308553 scopus 로고    scopus 로고
    • Profiling of Arabidopsis secondary metabolites by capillary liquid chromatography coupled to electrospray ionization quadrupole time-of-flight mass spectrometry
    • von Roepenack-Lahaye, E.; Degenkolb, T.; Zerjeski, M.; Franz, M.; Roth, U.; Wessjohann, L.; Schmidt, J.; Scheel, D.; Clemens, S. Profiling of Arabidopsis secondary metabolites by capillary liquid chromatography coupled to electrospray ionization quadrupole time-of-flight mass spectrometry. Plant Physiol., 2004, 134, 548-559.
    • (2004) Plant Physiol , vol.134 , pp. 548-559
    • von Roepenack-Lahaye, E.1    Degenkolb, T.2    Zerjeski, M.3    Franz, M.4    Roth, U.5    Wessjohann, L.6    Schmidt, J.7    Scheel, D.8    Clemens, S.9


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