MetFrag relaunched: incorporating strategies beyond in silico fragmentation-Reference-Cited by-同舟云学术

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MetFrag relaunched: incorporating strategies beyond in silico fragmentation

Published:2016-01-29 Issue:1 Volume:8 Page:
ISSN:1758-2946
Container-title:Journal of Cheminformatics
language:en
Short-container-title:J Cheminform

Author:

Ruttkies Christoph,Schymanski Emma L.,Wolf Sebastian,Hollender Juliane,Neumann Steffen

Funder

Deutsche Forschungsgemeinschaft

Seventh Framework Programme (BE)

Publisher

Springer Science and Business Media LLC

Subject

Library and Information Sciences,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Computer Science Applications

Link

http://link.springer.com/content/pdf/10.1186/s13321-016-0115-9.pdf

Reference57 articles.

1. Schymanski EL, Singer HP, Slobodnik J, Ipolyi IM, Oswald P, Krauss M, Schulze T, Haglund P, Letzel T, Grosse S et al (2015) Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis. Anal Bioanal Chem 407(21):6237–6255

2. Hug C, Ulrich N, Schulze T, Brack W, Krauss M (2014) Identification of novel micropollutants in wastewater by a combination of suspect and nontarget screening. Environ Pollut 184:25–32

3. Schymanski EL, Singer HP, Longrée P, Loos M, Ruff M, Stravs MA, Ripollés Vidal C, Hollender J (2014) Strategies to characterize polar organic contamination in wastewater: exploring the capability of high resolution mass spectrometry. Environ Sci Technol 48(3):1811–1818

4. Stein S (2012) Mass spectral reference libraries: an ever-expanding resource for chemical identification. Anal Chem 84(17):7274–7282

5. Vinaixa M, Schymanski EL, Neumann S, Navarro M, Salek RM, Yanes O (2015) Mass spectral databases for LC/MS and GC/MS-based metabolomics: state of the field and future prospects. Trends Anal Chem (TrAC). doi: 10.1016/j.trac.2015.09.005

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