ASMS 2021: USING COLLISION CROSS SECTION PREDICTIONS TO SUPPORT CHARACTERISATION OF UNKNOWNSPosters | 2021 | WatersInstrumentationIon Mobility, LC/TOF, LC/HRMS, LC/MS, LC/MS/MSManufacturerWatersKey wordsccs, matches, characterisation, octabenzone, plausible, predictions, matching, product, observed, putative, ims, downgraded, unknowns, databases, input, plausibly, basis, describe, probabilistically, likely, ccsondemand, salicylamide, cross, section, ion, oatof, match, characterised, model, citations, rejected, afford, which, derive, vion, collision, ranked, support, silico, likelihood, machine, learning, value, very, using, fits, investigations, represented, biomarker, prediction
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mzLogic Data Analysis Algorithm - Accelerate small-molecule unknown identification
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SMART NOTEmzLogic Data Analysis AlgorithmAccelerate small-molecule unknown identificationWhen there is no spectral library match for your small-moleculeunknown compound, how can you use your data to confidentlyassign a structure?Many small-molecule analyses, from metabolism studies and drug analyteanalysis, to food and environmental...
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fragmentation, fragmentationmzlogic, mzlogicsubstructure, substructureranked, rankedunknown, unknownstructures, structuresmzcloud, mzcloudfingerprinting, fingerprintingputative, putativeannotated, annotatedfrontier, frontierhow, howdata, datapublicly, publiclyonline
LC/Q-TOF Workflows forComprehensive MicropollutantAnalysisTargeted Quantification, Suspect Screening, andUnknown Compound IdentificationApplication NoteEnvironmentalAuthorsAbstractChristoph Moschet andThis application note presents three complementary LC/Q-TOF workflowsThomas M. Youngdesigned to provide comprehensive analysis of micropollutants in surface waters:Department of Civil and• Targeted quantificationEnvironmental Engineering,University of California,Davis, CA,...
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Investigation and Performance Evaluation of a Research Prototype Tool for CCS Prediction
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cyclic, cyclicims, imsselect, selectseries, seriesmetabolites, metabolitesccs, ccsmobility, mobilityisomeric, isomericidentical, identicalvalues, valuesstructural, structuralseparation, separationspectral, spectralion, ionhigton