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Volumn 16, Issue 1, 2015, Pages

QCScreen: A software tool for data quality control in LC-HRMS based metabolomics

Author keywords

LC HRMS; Mass accuracy shift; MzXML; QC; Retention time shift

Indexed keywords

APPLICATION PROGRAMS; CHROMATOGRAPHY; COMPUTER SOFTWARE; DATA HANDLING; LIQUID CHROMATOGRAPHY; MASS SPECTROMETRY; OPEN SOURCE SOFTWARE; OPEN SYSTEMS; PROCESS CONTROL; QUALITY ASSURANCE; SOFTWARE ENGINEERING;

EID: 84945129507     PISSN: None     EISSN: 14712105     Source Type: Journal    
DOI: 10.1186/s12859-015-0783-x     Document Type: Article
Times cited : (14)

References (20)
  • 1
    • 70449354965 scopus 로고    scopus 로고
    • Analytical error reduction using single point calibration for accurate and precise metabolomic phenotyping
    • van der Kloet FM, Bobeldijk I, Verheij ER, Jellema RH. Analytical error reduction using single point calibration for accurate and precise metabolomic phenotyping. J Proteome Res. 2009;8(11):5132-41.
    • (2009) J Proteome Res , vol.8 , Issue.11 , pp. 5132-5141
    • Kloet, F.M.1    Bobeldijk, I.2    Verheij, E.R.3    Jellema, R.H.4
  • 2
    • 84878679541 scopus 로고    scopus 로고
    • Stable isotope coded derivatizing reagents as internal standards in metabolite profiling
    • Bruheim P, Kvitvang HFN, Villas-Boas SG. Stable isotope coded derivatizing reagents as internal standards in metabolite profiling. J Chromatogr A. 2013;1296:196-203.
    • (2013) J Chromatogr A , vol.1296 , pp. 196-203
    • Bruheim, P.1    Kvitvang, H.F.N.2    Villas-Boas, S.G.3
  • 3
    • 84555189576 scopus 로고    scopus 로고
    • Metabolic fingerprinting using comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry
    • Almstetter MF, Oefner PJ, Dettmer K. Metabolic fingerprinting using comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry. Methods Mol Biol. 2012;815:399-411.
    • (2012) Methods Mol Biol , vol.815 , pp. 399-411
    • Almstetter, M.F.1    Oefner, P.J.2    Dettmer, K.3
  • 4
    • 68049083650 scopus 로고    scopus 로고
    • 13C isotope-labeled metabolomes allowing for improved compound annotation and relative quantification in liquid chromatography-mass spectrometry-based metabolomics research
    • Giavalisco P, Koehl K, Hummel J, Seiwert B, Willmitzer L. 13C isotope-labeled metabolomes allowing for improved compound annotation and relative quantification in liquid chromatography-mass spectrometry-based metabolomics research. Anal Chem. 2009;81:6546-51.
    • (2009) Anal Chem , vol.81 , pp. 6546-6551
    • Giavalisco, P.1    Koehl, K.2    Hummel, J.3    Seiwert, B.4    Willmitzer, L.5
  • 5
    • 84904392449 scopus 로고    scopus 로고
    • A novel stable isotope labeling assisted workflow for improved untargeted LC-HRMS based metabolomics research
    • Bueschl C, Kluger B, Lemmens M, Adam G, Wiesenberg G, Maschietto V, et al. A novel stable isotope labeling assisted workflow for improved untargeted LC-HRMS based metabolomics research. Metabolomics. 2014;10:754-69.
    • (2014) Metabolomics , vol.10 , pp. 754-769
    • Bueschl, C.1    Kluger, B.2    Lemmens, M.3    Adam, G.4    Wiesenberg, G.5    Maschietto, V.6
  • 6
    • 84867341623 scopus 로고    scopus 로고
    • The importance of experimental design and QC samples in large-scale and MS-driven untargeted metabolomics studies of humans
    • Dunn WB, Wilson ID, Nocholls AW, Broadhurst D. The importance of experimental design and QC samples in large-scale and MS-driven untargeted metabolomics studies of humans. Bioanalysis. 2012;4(18):2249-64.
    • (2012) Bioanalysis , vol.4 , Issue.18 , pp. 2249-2264
    • Dunn, W.B.1    Wilson, I.D.2    Nocholls, A.W.3    Broadhurst, D.4
  • 7
    • 84878275118 scopus 로고    scopus 로고
    • Characterising and correcting batch variation in an automated direct infusion mass spectrometry (DIMS) metabolomics workflow
    • Kirwan JA, Broadhurst DI, Davidson RL, Viant MR. Characterising and correcting batch variation in an automated direct infusion mass spectrometry (DIMS) metabolomics workflow. Anal Bioanal Chem. 2013;405:5147-57.
    • (2013) Anal Bioanal Chem , vol.405 , pp. 5147-5157
    • Kirwan, J.A.1    Broadhurst, D.I.2    Davidson, R.L.3    Viant, M.R.4
  • 8
    • 78650151240 scopus 로고    scopus 로고
    • Stable-isotope dilution LC-MS for quantitative biomarker analysis
    • Ciccimaro E, Blair IA. Stable-isotope dilution LC-MS for quantitative biomarker analysis. Bioanalysis. 2010;2(2):311-41.
    • (2010) Bioanalysis , vol.2 , Issue.2 , pp. 311-341
    • Ciccimaro, E.1    Blair, I.A.2
  • 9
    • 79959913950 scopus 로고    scopus 로고
    • Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry
    • Dunn WB, Broadhurst D, Begley P, Zelena E, Francis-McIntyre S, Anderson N, et al. Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry. Nat Protoc. 2011;6(7):1060-83.
    • (2011) Nat Protoc , vol.6 , Issue.7 , pp. 1060-1083
    • Dunn, W.B.1    Broadhurst, D.2    Begley, P.3    Zelena, E.4    Francis-McIntyre, S.5    Anderson, N.6
  • 10
    • 40749141227 scopus 로고    scopus 로고
    • OutlierD: an R package for outlier detection using quantile regression on mass spectrometry data
    • Cho HJ, Kim Y, Jung HJ, Lee SW, Lee JW. OutlierD: an R package for outlier detection using quantile regression on mass spectrometry data. Bioinformatics. 2008;24(6):882-4.
    • (2008) Bioinformatics , vol.24 , Issue.6 , pp. 882-884
    • Cho, H.J.1    Kim, Y.2    Jung, H.J.3    Lee, S.W.4    Lee, J.W.5
  • 11
    • 65549119729 scopus 로고    scopus 로고
    • Statistical quality assessment and outlier detection for liquid chromatography-mass spectrometry experiments
    • Schulz-Trieglaff O, Machtejevas E, Reinert K, Schlueter H, Thiemann J, Unger K. Statistical quality assessment and outlier detection for liquid chromatography-mass spectrometry experiments. BioData Min. 2009;2(1):4.
    • (2009) BioData Min , vol.2 , Issue.1 , pp. 4
    • Schulz-Trieglaff, O.1    Machtejevas, E.2    Reinert, K.3    Schlueter, H.4    Thiemann, J.5    Unger, K.6
  • 12
    • 33749074122 scopus 로고    scopus 로고
    • A pragmatic and readily implemented quality control strategy for HPLC-MS and GC-MS-based metabonomic analysis
    • Sangster T, Major H, Plumb R, Wilson AJ, Wilson ID. A pragmatic and readily implemented quality control strategy for HPLC-MS and GC-MS-based metabonomic analysis. Analyst. 2006;131:1075-8.
    • (2006) Analyst , vol.131 , pp. 1075-1078
    • Sangster, T.1    Major, H.2    Plumb, R.3    Wilson, A.J.4    Wilson, I.D.5
  • 15
    • 80054699758 scopus 로고    scopus 로고
    • MetSign: a computational platform for high-resolution mass spectrometry-based metabolomics
    • Wei X, Sun W, Shi X, Koo I, Wang B, Zhang J, et al. MetSign: a computational platform for high-resolution mass spectrometry-based metabolomics. Anal Chem. 2011;83(20):7668-75.
    • (2011) Anal Chem , vol.83 , Issue.20 , pp. 7668-7675
    • Wei, X.1    Sun, W.2    Shi, X.3    Koo, I.4    Wang, B.5    Zhang, J.6
  • 16
    • 8344284323 scopus 로고    scopus 로고
    • A common open representation of mass spectrometry data and its application to proteomics research
    • Pedrioli PG, Eng JK, Hubley R, Vogelzang M, Deutsch EW, Raught B, et al. A common open representation of mass spectrometry data and its application to proteomics research. Nat Biotechnol. 2004;22:1459-66.
    • (2004) Nat Biotechnol , vol.22 , pp. 1459-1466
    • Pedrioli, P.G.1    Eng, J.K.2    Hubley, R.3    Vogelzang, M.4    Deutsch, E.W.5    Raught, B.6
  • 17
    • 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. 2008;24(21):2534-6.
    • (2008) Bioinformatics , vol.24 , Issue.21 , pp. 2534-2536
    • Kessner, D.1    Chambers, M.2    Burke, R.3    Agus, D.4    Mallick, P.5
  • 18
    • 33748659203 scopus 로고    scopus 로고
    • Improved peak detection in mass spectrum by incorporating continuous wavelet transform-based pattern matching
    • Du P, Kibbe WA, Lin SM. Improved peak detection in mass spectrum by incorporating continuous wavelet transform-based pattern matching. Bioinformatics. 2006;22(17):2059-65.
    • (2006) Bioinformatics , vol.22 , Issue.17 , pp. 2059-2065
    • Du, P.1    Kibbe, W.A.2    Lin, S.M.3
  • 19
    • 32444446805 scopus 로고    scopus 로고
    • XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification
    • Smith CA, Want EJ, O'Maille G, Abagyan R, Siuzdak G. XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification. Anal Chem. 2006;78(3):779-87.
    • (2006) Anal Chem , vol.78 , Issue.3 , pp. 779-787
    • Smith, C.A.1    Want, E.J.2    O'Maille, G.3    Abagyan, R.4    Siuzdak, G.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.