MOESM1 of Critical Assessment of Small Molecule Identification 2016: automated methods

Schymanski, Emma; Ruttkies, Christoph; Krauss, Martin; Brouard, CĂŠline; Kind, Tobias; DĂźhrkop, Kai; Allen, Felicity; Vaniya, Arpana; Verdegem, Dries; BĂścker, Sebastian; Rousu, Juho; Shen, Huibin; Tsugawa, Hiroshi; Sajed, Tanvir; Fiehn, Oliver; GhesquiĂ¨re, Bart; Neumann, Steffen

doi:10.6084/m9.figshare.c.3727522_D1.v1

13321_2017_207_MOESM1_ESM.pdf (3.64 MB)

MOESM1 of Critical Assessment of Small Molecule Identification 2016: automated methods

journal contribution

posted on 2017-03-27, 05:00 authored by Emma Schymanski, Christoph Ruttkies, Martin Krauss, CĂŠline Brouard, Tobias Kind, Kai DĂźhrkop, Felicity Allen, Arpana Vaniya, Dries Verdegem, Sebastian BĂścker, Juho Rousu, Huibin Shen, Hiroshi Tsugawa, Tanvir Sajed, Oliver Fiehn, Bart GhesquiĂ¨re, Steffen Neumann

Additional file 1. This file contains additional content (methods, results and selected spectra) to complement the manuscript. See PDF for details.

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Compound identification In silico fragmentation High resolution mass spectrometry Metabolomics Structure elucidation

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MOESM1 of Critical Assessment of Small Molecule Identification 2016: automated methods

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