@Article{IPB-2525, author = {Nothias, L. F. and Petras, D. and Schmid, R. and Dührkop, K. and Rainer, J. and Sarvepalli, A. and Protsyuk, I. and Ernst, M. and Tsugawa, H. and Fleischauer, M. and Aicheler, F. and Aksenov, A. and Alka, O. and Allard, P.-M. and Barsch, A. and Cachet, X. and Caraballo, M. and Da Silva, R. R. and Dang, T. and Garg, N. and Gauglitz, J. M. and Gurevich, A. and Isaac, G. and Jarmusch, A. K. and Kameník, Z. and Kang, K. B. and Kessler, N. and Koester, I. and Korf, A. and Gouellec, A. L. and Ludwig, M. and Christian, M. H. and McCall, L.-I. and McSayles, J. and Meyer, S. W. and Mohimani, H. and Morsy, M. and Moyne, O. and Neumann, S. and Neuweger, H. and Nguyen, N. H. and Nothias-Esposito, M. and Paolini, J. and Phelan, V. V. and Pluskal, T. and Quinn, R. A. and Rogers, S. and Shrestha, B. and Tripathi, A. and van der Hooft, J. J. J. and Vargas, F. and Weldon, K. C. and Witting, M. and Yang, H. and Zhang, Z. and Zubeil, F. and Kohlbacher, O. and Böcker, S. and Alexandrov, T. and Bandeira, N. and Wang, M. and Dorrestein, P. C.}, title = {{Feature-based Molecular Networking in the GNPS Analysis Environment}}, year = {2019}, journal = {bioRxiv}, doi = {10.1101/812404}, url = {https://dx.doi.org/10.1101/812404}, abstract = {Molecular networking has become a key method used to visualize and annotate the chemical space in non-targeted mass spectrometry-based experiments. However, distinguishing isomeric compounds and quantitative interpretation are currently limited. Therefore, we created Feature-based Molecular Networking (FBMN) as a new analysis method in the Global Natural Products Social Molecular Networking (GNPS) infrastructure. FBMN leverages feature detection and alignment tools to enhance quantitative analyses and isomer distinction, including from ion-mobility spectrometry experiments, in molecular networks.} }