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MetExtract II: A Software Suite for Stable Isotope-Assisted Untargeted Metabolomics.
Anal Chem. 2017 Sep 5;89(17):9518-9526. doi: 10.1021/acs.analchem.7b02518. Epub 2017 Aug 22.
Anal Chem. 2017.
PMID: 28787149
Free PMC article.
Automated LC-HRMS(/MS) approach for the annotation of fragment ions derived from stable isotope labeling-assisted untargeted metabolomics.
Neumann NK, Lehner SM, Kluger B, Bueschl C, Sedelmaier K, Lemmens M, Krska R, Schuhmacher R.
Neumann NK, et al.
Anal Chem. 2014 Aug 5;86(15):7320-7. doi: 10.1021/ac501358z. Epub 2014 Jul 14.
Anal Chem. 2014.
PMID: 24965664
Free PMC article.
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Isotope-assisted screening for iron-containing metabolites reveals a high degree of diversity among known and unknown siderophores produced by Trichoderma spp.
Lehner SM, Atanasova L, Neumann NK, Krska R, Lemmens M, Druzhinina IS, Schuhmacher R.
Lehner SM, et al.
Appl Environ Microbiol. 2013 Jan;79(1):18-31. doi: 10.1128/AEM.02339-12. Epub 2012 Oct 12.
Appl Environ Microbiol. 2013.
PMID: 23064341
Free PMC article.
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Evaluation of LC-high-resolution FT-Orbitrap MS for the quantification of selected mycotoxins and the simultaneous screening of fungal metabolites in food.
Lehner SM, Neumann NK, Sulyok M, Lemmens M, Krska R, Schuhmacher R.
Lehner SM, et al.
Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2011 Oct;28(10):1457-68. doi: 10.1080/19440049.2011.599340. Epub 2011 Aug 22.
Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2011.
PMID: 21854354
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The comprehensive peptaibiotics database.
Stoppacher N, Neumann NK, Burgstaller L, Zeilinger S, Degenkolb T, Brückner H, Schuhmacher R.
Stoppacher N, et al.
Chem Biodivers. 2013 May;10(5):734-43. doi: 10.1002/cbdv.201200427.
Chem Biodivers. 2013.
PMID: 23681723
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The peptaibiotics database--a comprehensive online resource.
Neumann NK, Stoppacher N, Zeilinger S, Degenkolb T, Brückner H, Schuhmacher R.
Neumann NK, et al.
Chem Biodivers. 2015 May;12(5):743-51. doi: 10.1002/cbdv.201400393.
Chem Biodivers. 2015.
PMID: 26010663
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QCScreen: a software tool for data quality control in LC-HRMS based metabolomics.
Simader AM, Kluger B, Neumann NK, Bueschl C, Lemmens M, Lirk G, Krska R, Schuhmacher R.
Simader AM, et al.
BMC Bioinformatics. 2015 Oct 24;16:341. doi: 10.1186/s12859-015-0783-x.
BMC Bioinformatics. 2015.
PMID: 26498454
Free PMC article.
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GC-MS based targeted metabolic profiling identifies changes in the wheat metabolome following deoxynivalenol treatment.
Warth B, Parich A, Bueschl C, Schoefbeck D, Neumann NK, Kluger B, Schuster K, Krska R, Adam G, Lemmens M, Schuhmacher R.
Warth B, et al.
Metabolomics. 2015;11(3):722-738. doi: 10.1007/s11306-014-0731-1. Epub 2014 Sep 27.
Metabolomics. 2015.
PMID: 25972772
Free PMC article.
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