메뉴 건너뛰기




Volumn 3, Issue 2, 2013, Pages 397-411

CASMI-the small molecule identification process from a Birmingham perspective

Author keywords

CASMI; ChemSpider; KEGG; Metabolite annotation; Metabolite identification; Metfrag; PUTMEDID LCMS

Indexed keywords

SULFUR;

EID: 85016460639     PISSN: None     EISSN: 22181989     Source Type: Journal    
DOI: 10.3390/metabo3020397     Document Type: Article
Times cited : (10)

References (36)
  • 1
    • 78650315006 scopus 로고    scopus 로고
    • Systems level studies of mammalian metabolomes: The roles of mass spectrometry and nuclear magnetic resonance spectroscopy
    • Dunn, W.B.; Broadhurst, D.I.; Atherton, H.J.; Goodacre, R.; Griffin, J.L. Systems level studies of mammalian metabolomes: the roles of mass spectrometry and nuclear magnetic resonance spectroscopy. Chem. Soc. Rev. 2011, 40, 387-426.
    • (2011) Chem. Soc. Rev , vol.40 , pp. 387-426
    • Dunn, W.B.1    Broadhurst, D.I.2    Atherton, H.J.3    Goodacre, R.4    Griffin, J.L.5
  • 3
    • 84860463899 scopus 로고    scopus 로고
    • Metabolomic analysis of rat serum in streptozotocin-induced diabetes and after treatment with oral triethylenetetramine (TETA)
    • Ugarte, M.; Brown, M.; Hollywood, K.A.; Cooper, G.J.; Bishop, P.N.; Dunn, W.B. Metabolomic analysis of rat serum in streptozotocin-induced diabetes and after treatment with oral triethylenetetramine (TETA). Genome Med. 2012, 4, 35.
    • (2012) Genome Med , vol.4 , pp. 35
    • Ugarte, M.1    Brown, M.2    Hollywood, K.A.3    Cooper, G.J.4    Bishop, P.N.5    Dunn, W.B.6
  • 4
    • 85016474255 scopus 로고    scopus 로고
    • Lipidomic analysis of acute myeloid leukaemia cell responses to bezafibrate and medroxyprogesterone acetate reveals insights into their anti-leukemic action
    • Southam, A.; Khanim, F.; Hayden, R.; Michell, R.; Lilly, A.; Gunther, U.; Drayson, M.; Viant, M.; Bunce, C. Lipidomic analysis of acute myeloid leukaemia cell responses to bezafibrate and medroxyprogesterone acetate reveals insights into their anti-leukemic action. Exp. Hematol. 2012, 40, S149-S149.
    • (2012) Exp. Hematol , vol.40 , pp. 149
    • Southam, A.1    Khanim, F.2    Hayden, R.3    Michell, R.4    Lilly, A.5    Gunther, U.6    Drayson, M.7    Viant, M.8    Bunce, C.9
  • 5
    • 33645673600 scopus 로고    scopus 로고
    • Metabolomic approaches reveal that phosphatidic and phosphatidyl glycerol phospholipids are major discriminatory non-polar metabolites in responses by Brachypodium distachyon to challenge by Magnaporthe grisea
    • Allwood, J.W.; Ellis, D.I.; Heald, J.K.; Goodacre, R.; Mur, L.A. Metabolomic approaches reveal that phosphatidic and phosphatidyl glycerol phospholipids are major discriminatory non-polar metabolites in responses by Brachypodium distachyon to challenge by Magnaporthe grisea. Plant J. 2006, 46, 351-368.
    • (2006) Plant J , vol.46 , pp. 351-368
    • Allwood, J.W.1    Ellis, D.I.2    Heald, J.K.3    Goodacre, R.4    Mur, L.A.5
  • 8
    • 79952079197 scopus 로고    scopus 로고
    • Metabolomics in toxicology: Preclinical and clinical applications
    • Robertson, D.G.; Watkins, P.B.; Reily, M.D. Metabolomics in toxicology: preclinical and clinical applications. Toxicol. Sci. 2011, 120 (Suppl 1), S146-S170.
    • (2011) Toxicol. Sci , vol.120 , Issue.SUPPL. 1
    • Robertson, D.G.1    Watkins, P.B.2    Reily, M.D.3
  • 10
    • 0034218717 scopus 로고    scopus 로고
    • Simultaneous analysis of metabolites in potato tuber by gas chromatography-mass spectrometry
    • Roessner, U.; Wagner, C.; Kopka, J.; Trethewey, R.N.; Willmitzer, L. Simultaneous analysis of metabolites in potato tuber by gas chromatography-mass spectrometry. Plant J. 2000, 23, 131-142.
    • (2000) Plant J , vol.23 , pp. 131-142
    • Roessner, U.1    Wagner, C.2    Kopka, J.3    Trethewey, R.N.4    Willmitzer, L.5
  • 13
    • 79954519624 scopus 로고    scopus 로고
    • Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets
    • Brown, M.; Wedge, D.C.; Goodacre, R.; Kell, D.B.; Baker, P.N.; Kenny, L.C.; Mamas, M.A.; Neyses, L.; Dunn, W.B. Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets. Bioinformatics 2011, 27, 1108-1112.
    • (2011) Bioinformatics , vol.27 , pp. 1108-1112
    • Brown, M.1    Wedge, D.C.2    Goodacre, R.3    Kell, D.B.4    Baker, P.N.5    Kenny, L.C.6    Mamas, M.A.7    Neyses, L.8    Dunn, W.B.9
  • 14
    • 77958506191 scopus 로고    scopus 로고
    • MI-Pack: Increased confidence of metabolite identification in mass spectra by integrating accurate masses and metabolic pathways
    • Weber, R.J.M.; Viant, M.R. MI-Pack: Increased confidence of metabolite identification in mass spectra by integrating accurate masses and metabolic pathways. Chemometr. Intell. Lab. 2010, 104, 75-82.
    • (2010) Chemometr. Intell. Lab , vol.104 , pp. 75-82
    • Weber, R.J.M.1    Viant, M.R.2
  • 15
    • 77952302069 scopus 로고    scopus 로고
    • In silico fragmentation for computer assisted identification of metabolite mass spectra
    • Wolf, S.; Schmidt, S.; Muller-Hannemann, M.; Neumann, S. In silico fragmentation for computer assisted identification of metabolite mass spectra. BMC Bioinformatics 2010, 11, 148.
    • (2010) BMC Bioinformatics , vol.11 , pp. 148
    • Wolf, S.1    Schmidt, S.2    Muller-Hannemann, M.3    Neumann, S.4
  • 17
    • 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 2007, 8, 105.
    • (2007) BMC Bioinformatics , vol.8 , pp. 105
    • Kind, T.1    Fiehn, O.2
  • 18
    • 78449296488 scopus 로고    scopus 로고
    • ChemSpider: An Online Chemical Information Resource
    • Pence, H.E.; Williams, A. ChemSpider: An Online Chemical Information Resource. J. Chem. Education. 2010, 87, 1123-1124.
    • (2010) J. Chem. Education , vol.87 , pp. 1123-1124
    • Pence, H.E.1    Williams, A.2
  • 19
    • 85016512512 scopus 로고    scopus 로고
    • Pubchem. Available online, accessed on 15 May
    • Pubchem. Available online:http://pubchem.ncbi.nlm.nih.gov/ (accessed on 15 May 2013)
    • (2013)
  • 20
    • 84858983547 scopus 로고    scopus 로고
    • KEGG for integration and interpretation of large-scale molecular data sets
    • Kanehisa, M.; Goto, S.; Sato, Y.; Furumichi, M.; Tanabe, M. KEGG for integration and interpretation of large-scale molecular data sets. Nucleic Acids Res. 2012, 40, D109-D114.
    • (2012) Nucleic Acids Res , vol.40
    • Kanehisa, M.1    Goto, S.2    Sato, Y.3    Furumichi, M.4    Tanabe, M.5
  • 23
    • 84875123279 scopus 로고    scopus 로고
    • Liquid chromatography quadrupole time-of-flight mass spectrometry characterization of metabolites guided by the METLIN database
    • Zhu, Z.J.; Schultz, A.W.; Wang, J.; Johnson, C.H.; Yannone, S.M.; Patti, G.J.; Siuzdak, G. Liquid chromatography quadrupole time-of-flight mass spectrometry characterization of metabolites guided by the METLIN database. Nat. Protoc. 2013, 8, 451-460.
    • (2013) Nat. Protoc , vol.8 , pp. 451-460
    • Zhu, Z.J.1    Schultz, A.W.2    Wang, J.3    Johnson, C.H.4    Yannone, S.M.5    Patti, G.J.6    Siuzdak, G.7
  • 27
    • 85016465092 scopus 로고    scopus 로고
    • Available online, accessed on 15 May
    • Highchem-MassFrontier. Available online: http://www.highchem.com/index.php/massfrontier/ (accessed on 15 May 2013).
    • (2013) Highchem-MassFrontier
  • 32
  • 33
    • 85016472013 scopus 로고    scopus 로고
    • NIST 12 MS/MS Database and Search Program, Available online, accessed on 15 May
    • NIST 12 MS/MS Database and Search Program. Available online: http://chemdata.nist.gov/mass-spc/msms-search/ (accessed on 15 May 2013).
    • (2013)
  • 35
    • 85016447455 scopus 로고    scopus 로고
    • PUTMEDID-LCMS, Available online, accessed on 15 May
    • PUTMEDID-LCMS.Available online: http://www.mcisb.org/resources/putmedid.html/(accessed on 15 May 2013).
    • (2013)


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.