Application of Predicted Collisional Cross Section to Metabolome Databases to Probabilistically Describe the Current and Future Ion Mobility Mass Spectrometry.
作者： Corey D. Broeckling , Johannes P.C. Vissers , Giorgis Isaac , Linxing Yao , Marisa Gioioso
关键词:
摘要: Metabolomics is a powerful phenotyping platform with potential for high-throughput analyses. The primary technology metabolite profiling mass spectrometry. In recent years, the coupling of spectrometry ion mobility (IMS) has offered promise faster analysis time and greater resolving power. Our understanding impact IMS on field metabolomics limited by availability comprehensive experimental data. this analysis, we use probabilistic approach to enumerate strengths limitations, present future, technology. This accomplished through "model" metabolomes, predicted physicochemical properties, descriptions advances our importance orthogonality in (separation) dimensions, describes metabolome composition resolution demands, offers system landscape that may serve guide practitioners coming years.
acs.org
scilit.net参考文章(42)
Tim J. Causon, Stephan Hann, Theoretical evaluation of peak capacity improvements by use of liquid chromatography combined with drift tube ion mobility-mass spectrometry. Journal of Chromatography A. ,vol. 1416, pp. 47- 56 ,(2015) , 10.1016/J.CHROMA.2015.09.009
Rajarshi Guha, Chemical Informatics Functionality in R Journal of Statistical Software. ,vol. 18, pp. 1- 16 ,(2007) , 10.18637/JSS.V018.I05
Giuseppe Paglia, Peggi Angel, Jonathan P. Williams, Keith Richardson, Hernando J. Olivos, J. Will Thompson, Lochana Menikarachchi, Steven Lai, Callee Walsh, Arthur Moseley, Robert S. Plumb, David F. Grant, Bernhard O. Palsson, James Langridge, Scott Geromanos, Giuseppe Astarita, Ion mobility-derived collision cross section as an additional measure for lipid fingerprinting and identification. Analytical Chemistry. ,vol. 87, pp. 1137- 1144 ,(2015) , 10.1021/AC503715V
Rebecca S. Glaskin, Michael A. Ewing, David E. Clemmer, Ion Trapping for Ion Mobility Spectrometry Measurements in a Cyclical Drift Tube Analytical Chemistry. ,vol. 85, pp. 7003- 7008 ,(2013) , 10.1021/AC4015066
Richard King, Ryan Bonfiglio, Carmen Fernandez-Metzler, Cynthia Miller-Stein, Timothy Olah, Mechanistic investigation of ionization suppression in electrospray ionization Journal of the American Society for Mass Spectrometry. ,vol. 11, pp. 942- 950 ,(2000) , 10.1016/S1044-0305(00)00163-X
Linda Ahonen, Maíra Fasciotti, Gustav Boije af Gennäs, Tapio Kotiaho, Romeu J. Daroda, Marcos Eberlin, Risto Kostiainen, Separation of steroid isomers by ion mobility mass spectrometry Journal of Chromatography A. ,vol. 1310, pp. 133- 137 ,(2013) , 10.1016/J.CHROMA.2013.08.056
Matthew F. Bush, Iain D. G. Campuzano, Carol V. Robinson, Ion mobility mass spectrometry of peptide ions: effects of drift gas and calibration strategies. Analytical Chemistry. ,vol. 84, pp. 7124- 7130 ,(2012) , 10.1021/AC3014498
Tom W. Knapman, Joshua T. Berryman, Iain Campuzano, Sarah A. Harris, Alison E. Ashcroft, Considerations in experimental and theoretical collision cross-section measurements of small molecules using travelling wave ion mobility spectrometry-mass spectrometry International Journal of Mass Spectrometry. ,vol. 298, pp. 17- 23 ,(2010) , 10.1016/J.IJMS.2009.09.011
Michelle Camenzuli, Peter J. Schoenmakers, A new measure of orthogonality for multi-dimensional chromatography Analytica Chimica Acta. ,vol. 838, pp. 93- 101 ,(2014) , 10.1016/J.ACA.2014.05.048
Fabian Pedregosa, Gaël Varoquaux, Alexandre Gramfort, Vincent Michel, Bertrand Thirion, Olivier Grisel, Mathieu Blondel, Andreas Müller, Joel Nothman, Gilles Louppe, Peter Prettenhofer, Ron Weiss, Vincent Dubourg, Jake Vanderplas, Alexandre Passos, David Cournapeau, Matthieu Brucher, Matthieu Perrot, Édouard Duchesnay, Scikit-learn: Machine Learning in Python Journal of Machine Learning Research. ,vol. 12, pp. 2825- 2830 ,(2011)