6 documents found, page 1 of 1
Ion identity molecular networking for mass spectrometry-based metabolomics in t...
Schmid, Robin; Petras, Daniel; Nothias, Louis-Félix; Wang, Mingxun; Aron, Allegra T.; Jagels, Annika; Tsugawa, Hiroshi; Rainer, JohannesMade available in DSpace on 2022-04-28T19:40:47Z (GMT). No. of bitstreams: 0 Previous issue date: 2021-12-01; National Institute of General Medical Sciences; Molecular networking connects mass spectra of molecules based on the similarity of their fragmentation patterns. However, during ionization, molecules commonly form multiple ion species with different fragmentation behavior. As a result, the fragmentation ...
Mass spectrometry-based metabolomics in microbiome investigations
Dorrestein, Pieter C.
Can Statistical Evaluation Tools for Chromatographic Method Development Assist ...
Mannochio-Russo, Helena [UNESP]; Bueno, Paula Carolina P.; Bauermeister, Anelize; De Almeida, Rafael Felipe; Dorrestein, Pieter C.Made available in DSpace on 2021-06-25T10:45:11Z (GMT). No. of bitstreams: 0 Previous issue date: 2020-11-25; Proper chromatographic methods may reduce the challenges inherent in analyzing natural product extracts, especially when utilizing hyphenated detection techniques involving mass spectrometry. As there are many variations one can introduce during chromatographic method development, this can become a daun...
Propagating annotations of molecular networks using in silico fragmentation
Dorrestein, Pieter C.
Global chemical analysis of biology by mass spectrometry
Dorrestein, Pieter C.