MetFusion: integration of compound identification strategies von Gerlich, Michael, Neumann, Steffen

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Mass spectral databases for LC/MS- and GC/MS-based metabolomics: State of the field and future prospects von Vinaixa, Maria, Schymanski, Emma L., Neumann, Steffen, Navarro, Miriam, Salek, Reza M., Yanes, Oscar

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Highly sensitive feature detection for high resolution LC/MS von Tautenhahn, Ralf, Böttcher, Christoph, Neumann, Steffen

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Improving MetFrag with statistical learning of fragment annotations von Ruttkies, Christoph, Neumann, Steffen, Posch, Stefan

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In silico fragmentation for computer assisted identification of metabolite mass spectra von Wolf, Sebastian, Schmidt, Stephan, Müller-Hannemann, Matthias, Neumann, Steffen

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Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices von Alseekh, Saleh, Aharoni, Asaph, Brotman, Yariv, Contrepois, Kévin, D’Auria, John, Ewald, Jan, C. Ewald, Jennifer, Fraser, Paul D., Giavalisco, Patrick, Hall, Robert D., Heinemann, Matthias, Link, Hannes, Luo, Jie, Neumann, Steffen, Nielsen, Jens, Perez de Souza, Leonardo, Saito, Kazuki, Sauer, Uwe, Schroeder, Frank C., Schuster, Stefan, Siuzdak, Gary, Skirycz, Aleksandra, Sumner, Lloyd W., Snyder, Michael P., Tang, Huiru, Tohge, Takayuki, Wang, Yulan, Wen, Weiwei, Wu, Si, Xu, Guowang, Zamboni, Nicola, Fernie, Alisdair R.

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CAMERA: An Integrated Strategy for Compound Spectra Extraction and Annotation of Liquid Chromatography/Mass Spectrometry Data Sets von Kuhl, Carsten, Tautenhahn, Ralf, Böttcher, Christoph, Larson, Tony R, Neumann, Steffen

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Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag von Schymanski, Emma L., Kondić, Todor, Neumann, Steffen, Thiessen, Paul A., Zhang, Jian, Bolton, Evan E.

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IPO: a tool for automated optimization of XCMS parameters von Libiseller, Gunnar, Dvorzak, Michaela, Kleb, Ulrike, Gander, Edgar, Eisenberg, Tobias, Madeo, Frank, Neumann, Steffen, Trausinger, Gert, Sinner, Frank, Pieber, Thomas, Magnes, Christoph

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Computational mass spectrometry for metabolomics: Identification of metabolites and small molecules von Neumann, Steffen, Böcker, Sebastian

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Metabolic drift in the aging nervous system is reflected in human cerebrospinal fluid von Peters, Kristian, Herman, Stephanie, Khoonsari, Payam Emami, Burman, Joachim, Neumann, Steffen, Kultima, Kim

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Critical assessment of alignment procedures for LC-MS proteomics and metabolomics measurements von Lange, Eva, Tautenhahn, Ralf, Neumann, Steffen, Gröpl, Clemens

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MetaboLights--an open-access general-purpose repository for metabolomics studies and associated meta-data von Haug, Kenneth, Salek, Reza M, Conesa, Pablo, Hastings, Janna, de Matos, Paula, Rijnbeek, Mark, Mahendraker, Tejasvi, Williams, Mark, Neumann, Steffen, Rocca-Serra, Philippe, Maguire, Eamonn, González-Beltrán, Alejandra, Sansone, Susanna-Assunta, Griffin, Julian L, Steinbeck, Christoph

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Natural variation of root exudates in Arabidopsis thaliana-linking metabolomic and genomic data von Mönchgesang, Susann, Strehmel, Nadine, Schmidt, Stephan, Westphal, Lore, Taruttis, Franziska, Müller, Erik, Herklotz, Siska, Neumann, Steffen, Scheel, Dierk

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Effect-directed analysis supporting monitoring of aquatic environments — An in-depth overview von Brack, Werner, Ait-Aissa, Selim, Burgess, Robert M., Busch, Wibke, Creusot, Nicolas, Di Paolo, Carolina, Escher, Beate I., Mark Hewitt, L., Hilscherova, Klara, Hollender, Juliane, Hollert, Henner, Jonker, Willem, Kool, Jeroen, Lamoree, Marja, Muschket, Matthias, Neumann, Steffen, Rostkowski, Pawel, Ruttkies, Christoph, Schollee, Jennifer, Schymanski, Emma L., Schulze, Tobias, Seiler, Thomas-Benjamin, Tindall, Andrew J., De Aragão Umbuzeiro, Gisela, Vrana, Branislav, Krauss, Martin

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Building blocks for automated elucidation of metabolites: machine learning methods for NMR prediction von Kuhn, Stefan, Egert, Björn, Neumann, Steffen, Steinbeck, Christoph

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mzML—a Community Standard for Mass Spectrometry Data von Martens, Lennart, Chambers, Matthew, Sturm, Marc, Kessner, Darren, Levander, Fredrik, Shofstahl, Jim, Tang, Wilfred H., Römpp, Andreas, Neumann, Steffen, Pizarro, Angel D., Montecchi-Palazzi, Luisa, Tasman, Natalie, Coleman, Mike, Reisinger, Florian, Souda, Puneet, Hermjakob, Henning, Binz, Pierre-Alain, Deutsch, Eric W.

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Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics von Dunn, Warwick B., Erban, Alexander, Weber, Ralf J. M., Creek, Darren J., Brown, Marie, Breitling, Rainer, Hankemeier, Thomas, Goodacre, Royston, Neumann, Steffen, Kopka, Joachim, Viant, Mark R.

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Discovering Regulated Metabolite Families in Untargeted Metabolomics Studies von Treutler, Hendrik, Tsugawa, Hiroshi, Porzel, Andrea, Gorzolka, Karin, Tissier, Alain, Neumann, Steffen, Balcke, Gerd Ulrich

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MassBank: a public repository for sharing mass spectral data for life sciences von Horai, Hisayuki, Arita, Masanori, Kanaya, Shigehiko, Nihei, Yoshito, Ikeda, Tasuku, Suwa, Kazuhiro, Ojima, Yuya, Tanaka, Kenichi, Tanaka, Satoshi, Aoshima, Ken, Oda, Yoshiya, Kakazu, Yuji, Kusano, Miyako, Tohge, Takayuki, Matsuda, Fumio, Sawada, Yuji, Hirai, Masami Yokota, Nakanishi, Hiroki, Ikeda, Kazutaka, Akimoto, Naoshige, Maoka, Takashi, Takahashi, Hiroki, Ara, Takeshi, Sakurai, Nozomu, Suzuki, Hideyuki, Shibata, Daisuke, Neumann, Steffen, Iida, Takashi, Tanaka, Ken, Funatsu, Kimito, Matsuura, Fumito, Soga, Tomoyoshi, Taguchi, Ryo, Saito, Kazuki, Nishioka, Takaaki

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