Substructure-based annotation of high-resolution multistage MS(n) spectral trees.
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Lars Ridder | Stefan Verhoeven | Jacques Vervoort | R. D. de Vos | J. Vervoort | J. V. D. van der Hooft | S. Verhoeven | René C van Schaik | L. Ridder | Justin J. J. van der Hooft | Ric C. H. de Vos | René van Schaik | R. D. De Vos | Rene C. van Schaik
[1] Chris F. Taylor,et al. A common open representation of mass spectrometry data and its application to proteomics research , 2004, Nature Biotechnology.
[2] Ari Rantanen,et al. FiD: a software for ab initio structural identification of product ions from tandem mass spectrometric data. , 2008, Rapid communications in mass spectrometry : RCM.
[3] R. Friedman,et al. Mass spectral metabonomics beyond elemental formula: chemical database querying by matching experimental with computational fragmentation spectra. , 2008, Analytical chemistry.
[4] R. Bino,et al. Structural elucidation and quantification of phenolic conjugates present in human urine after tea intake. , 2012, Analytical chemistry.
[5] Justin J J van der Hooft,et al. Polyphenol identification based on systematic and robust high-resolution accurate mass spectrometry fragmentation. , 2011, Analytical chemistry.
[6] Christophe Junot,et al. Mass spectrometry-based metabolomics: accelerating the characterization of discriminating signals by combining statistical correlations and ultrahigh resolution. , 2008, Analytical chemistry.
[7] Christophe Junot,et al. Mass spectrometry for the identification of the discriminating signals from metabolomics: current status and future trends. , 2008, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[8] Florian Rasche,et al. Computing fragmentation trees from metabolite multiple mass spectrometry data. , 2011, Journal of computational biology : a journal of computational molecular cell biology.
[9] Matthias Müller-Hannemann,et al. In silico fragmentation for computer assisted identification of metabolite mass spectra , 2010, BMC Bioinformatics.
[10] Raoul J. Bino,et al. Spectral trees as a robust annotation tool in LC–MS based metabolomics , 2011, Metabolomics.
[11] Steffen Neumann,et al. Database supported candidate search for Metabolite identification , 2011, J. Integr. Bioinform..
[12] F. R. Brown,et al. Thermospray mass spectrometry and tandem mass spectrometry of polar, urinary metabolites and metabolic conjugates. , 1989, Biomedical & environmental mass spectrometry.
[13] Justin J J van der Hooft,et al. Metabolite identification using automated comparison of high-resolution multistage mass spectral trees. , 2012, Analytical chemistry.
[14] J. Futrell,et al. Tandem mass spectrometry: dissociation of ions by collisional activation , 2000, Journal of mass spectrometry : JMS.
[15] Robert Mistrik,et al. Determination of ion structures in structurally related compounds using precursor ion fingerprinting , 2009, Journal of the American Society for Mass Spectrometry.
[16] Egon L. Willighagen,et al. Elemental composition determination based on MSn , 2011, Bioinform..
[17] R. Mortishire-Smith,et al. Automated assignment of high‐resolution collisionally activated dissociation mass spectra using a systematic bond disconnection approach , 2005 .
[18] Christophe Junot,et al. Evaluation of accurate mass and relative isotopic abundance measurements in the LTQ-orbitrap mass spectrometer for further metabolomics database building. , 2010, Analytical chemistry.
[19] Xiaoyan Chen,et al. Analysis of O-glucuronide conjugates in urine by electrospray ion trap mass spectrometry , 1999 .
[20] Ismael Zamora,et al. Enhanced metabolite identification with MS(E) and a semi-automated software for structural elucidation. , 2010, Rapid communications in mass spectrometry : RCM.
[21] Oliver Fiehn,et al. Mass-spectrometry-based metabolomics: limitations and recommendations for future progress with particular focus on nutrition research , 2009, Metabolomics.
[22] J. Quetin-Leclercq,et al. Determination of flavone, flavonol, and flavanone aglycones by negative ion liquid chromatography electrospray ion trap mass spectrometry , 2001, Journal of the American Society for Mass Spectrometry.
[23] R. Bino,et al. Structural annotation and elucidation of conjugated phenolic compounds in black, green, and white tea extracts. , 2012, Journal of agricultural and food chemistry.
[24] W. Shou,et al. Proposal of buspirone collision-induced dissociation rearrangement by exact mass measurements. , 2009, Rapid communications in mass spectrometry : RCM.
[25] D. Kell,et al. Metabolomics by numbers: acquiring and understanding global metabolite data. , 2004, Trends in biotechnology.
[26] I. Wilson,et al. UPLC/MS(E); a new approach for generating molecular fragment information for biomarker structure elucidation. , 2006, Rapid communications in mass spectrometry : RCM.
[27] David Weininger,et al. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules , 1988, J. Chem. Inf. Comput. Sci..
[28] S. Böcker,et al. Computational mass spectrometry for metabolomics: Identification of metabolites and small molecules , 2010, Analytical and Bioanalytical Chemistry.
[29] Thomas Zichner,et al. Identifying the unknowns by aligning fragmentation trees. , 2012, Analytical chemistry.
[30] D. Scott,et al. Optimization and testing of mass spectral library search algorithms for compound identification , 1994, Journal of the American Society for Mass Spectrometry.
[31] R. Bino,et al. Metabolomics technologies and metabolite identification , 2007 .
[32] M. Hartshorn,et al. IsoScore: automated localization of biotransformations by mass spectrometry using product ion scoring of virtual regioisomers. , 2009, Rapid communications in mass spectrometry : RCM.
[33] Anna Vulpetti,et al. Making sure there's a "give" associated with the "take": producing and using open-source software in big pharma , 2011, J. Cheminformatics.
[34] G. G. Stokes. "J." , 1890, The New Yale Book of Quotations.
[35] Oliver Fiehn,et al. Advances in structure elucidation of small molecules using mass spectrometry , 2010, Bioanalytical reviews.
[36] Kazuki Saito,et al. Potential of metabolomics as a functional genomics tool. , 2004, Trends in plant science.