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  • (-) Organizational Unit = Environmental Chemistry UCHEM
  • (-) Publication Year = 2006 - 2018
  • (-) Keywords ≠ transformation products
  • (-) Keywords = mass spectrometry
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Nontargeted homologue series extraction from hyphenated high resolution mass spectrometry data
Loos, M., & Singer, H. (2017). Nontargeted homologue series extraction from hyphenated high resolution mass spectrometry data. Journal of Cheminformatics, 9(1), 12 (11 pp.). https://doi.org/10.1186/s13321-017-0197-z
Integrating ion mobility spectrometry into mass spectrometry-based exposome measurements: what can it add and how far can it go?
Metz, T. O., Baker, E. S., Schymanski, E. L., Renslow, R. S., Thomas, D. G., Causon, T. J., … Teeguarden, J. G. (2017). Integrating ion mobility spectrometry into mass spectrometry-based exposome measurements: what can it add and how far can it go? Bioanalysis, 9(1), 81-98. https://doi.org/10.4155/bio-2016-0244
Mass spectral databases for LC/MS- and GC/MS-based metabolomics: state of the field and future prospects
Vinaixa, M., Schymanski, E. L., Neumann, S., Navarro, M., Salek, R. M., & Yanes, O. (2016). Mass spectral databases for LC/MS- and GC/MS-based metabolomics: state of the field and future prospects. Trends in Analytical Chemistry, 78, 23-35. https://doi.org/10.1016/j.trac.2015.09.005
Targeted and non-targeted liquid chromatography-mass spectrometric workflows for identification of transformation products of emerging pollutants in the aquatic environment
Bletsou, A. A., Jeon, J., Hollender, J., Archontaki, E., & Thomaidis, N. S. (2015). Targeted and non-targeted liquid chromatography-mass spectrometric workflows for identification of transformation products of emerging pollutants in the aquatic environment. Trends in Analytical Chemistry, 66, 32-44. https://doi.org/10.1016/j.trac.2014.11.009
Small molecule identification with MOLGEN and mass spectrometry
Meringer, M., & Schymanski, E. L. (2013). Small molecule identification with MOLGEN and mass spectrometry. Metabolites, 3(2), 440-462. https://doi.org/10.3390/metabo3020440
CASMI: and the winner is...
Schymanski, E. L., & Neumann, S. (2013). CASMI: and the winner is. Metabolites, 3(2), 412-439. https://doi.org/10.3390/metabo3020412
The Critical Assessment of Small molecule Identification (CASMI): challenges and solutions
Schymanski, E. L., & Neumann, S. (2013). The Critical Assessment of Small molecule Identification (CASMI): challenges and solutions. Metabolites, 3(3), 517-538. https://doi.org/10.3390/metabo3030517
Automatic recalibration and processing of tandem mass spectra using formula annotation
Stravs, M. A., Schymanski, E. L., Singer, H. P., & Hollender, J. (2013). Automatic recalibration and processing of tandem mass spectra using formula annotation. Journal of Mass Spectrometry, 48(1), 89-99. https://doi.org/10.1002/jms.3131