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Accurate Mass Retention Time Locked Metabolomics EI Library and Workflows for Accurate Mass GC/Q-TOF Metabolomics Data Processing

 

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Accurate Mass Retention Time Locked Metabolomics EI Library and Workflows for Accurate Mass GC/Q-TOF Metabolomics Data Processing Zijuan Lai1; Mine Palazoglu1; Sofia Nieto2; Nathan Eno2; Hong Chen2; Vadim Kalmeyer2; Aditi Koul2; Oliver Fiehn1 1University of California at Davis, Davis, CA;…
Key words
metabolomics, metabolomicsaccurate, accuratepcdl, pcdlmass, masslibrary, libraryspectra, spectraalgorithm, algorithmscreening, screeningcurated, curatedannotation, annotationfragment, fragmentnovel, novelformula, formulamfg, mfgcapable
Application Note Metabolomics Comprehensive Accurate Mass Metabolomics Library and Its Evaluation in Targeted and Nontargeted Data Analysis Workflows Authors Luis Valdiviez, Shunyang Wang, Wasim Sandhu, Honglian Ye, and Oliver Fiehn West Coast Metabolomics Center, University of California, Davis, CA. Sofia…
Key words
pcdl, pcdlmetabolomics, metabolomicsacid, acidaccurate, accuratemass, massfiehn, fiehnmetabolites, metaboliteslibrary, libraryscreener, screenernontarget, nontargetkidney, kidneytocopherol, tocopherolunit, unitplasma, plasmacompound
Application Note Environmental Analysis of Wastewater Effluent Samples to Identify Toxic Chemicals Using the High-Resolution Agilent 7250 GC/Q-TOF Authors Sofia Nieto and Kai Chen Agilent Technologies, Inc. Thomas Young Department of Civil and Environmental Engineering, University of California Davis, CA,…
Key words
wastewater, wastewaterscreening, screeningnci, nciscore, scoreeffluent, effluentmatch, matchtof, toflibrary, librarycompounds, compoundsnontargeted, nontargetedsuspect, suspectresponse, responsetentative, tentativemass, massunknowns
Poster Reprint ASMS 2022 Poster number WP365 Comprehensive Accurate Mass Metabolomics EI Library and Validation of the Data Processing Workflows Using Human Plasma Samples Sofia Nieto1; Paul Contreras1; Anastasia Andrianova1; Shunyang Wang2; Luis Valdiviez2; Wasim Sandhu2; Honglian Ye2; Oliver Fiehn2…
Key words
pcdl, pcdlmetabolomics, metabolomicsacid, acidlibrary, libraryaccurate, accuratescreener, screenermass, masstarget, targetderivatives, derivativesscore, scorefalse, falsescreening, screeningapproaches, approachesnist, nistderivatized
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