Critical Assessment of Small Molecule Identification 2016: automated methods by Emma L. Schymanski, Christoph Ruttkies, Martin Krauss, Céline Brouard, Tobias Kind, Kai Dührkop, Felicity Allen, Arpana Vaniya, Dries Verdegem, Sebastian Böcker, Juho Rousu, Huibin Shen, Hiroshi Tsugawa, Tanvir Sajed, Oliver Fiehn, Bart Ghesquière, Steffen Neumann

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MORTAR: a rich client application for in silico molecule fragmentation by Felix Bänsch, Jonas Schaub, Betül Sevindik, Samuel Behr, Julian Zander, Christoph Steinbeck, Achim Zielesny

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Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy by Ivana Blaženović, Tobias Kind, Hrvoje Torbašinović, Slobodan Obrenović, Sajjan S. Mehta, Hiroshi Tsugawa, Tobias Wermuth, Nicolas Schauer, Martina Jahn, Rebekka Biedendieck, Dieter Jahn, Oliver Fiehn

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Differentiation of Lactobacillus species by ARDRA by Kateřina Kšicová, Marta Dušková, Renáta Karpíšková

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Impurity profiling of bisoprolol fumarate by liquid chromatography-high-resolution mass spectrometry: A combination of targeted and untargeted approaches using a synthesis reaction... by Jonas Wohlfart, Elisabeth Jäckel, Oliver Scherf-Clavel, Dirk Jung, Martina Kinzig, Fritz Sörgel, Ulrike Holzgrabe

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Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics by Ivana Blaženović, Tobias Kind, Jian Ji, Oliver Fiehn

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Structure Elucidation of Unknown Metabolites in Metabolomics by Combined NMR and MS/MS Prediction by Rene M. Boiteau, David W. Hoyt, Carrie D. Nicora, Hannah A. Kinmonth-Schultz, Joy K. Ward, Kerem Bingol

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Enhanced Isotopic Ratio Outlier Analysis (IROA) Peak Detection and Identification with Ultra-High Resolution GC-Orbitrap/MS: Potential Application for Investigation of Model Organi... by Yunping Qiu, Robyn D. Moir, Ian M. Willis, Suresh Seethapathy, Robert C. Biniakewitz, Irwin J. Kurland

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Comprehensive relative quantitative metabolomics analysis of lycopodium alkaloids in different tissues of Huperzia serrata by Shiwen Wu, Zhen Fan, Youli Xiao

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