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PO-CON1885EA novel algorithm for automatingfragment ion structure assignmentusing high mass accuracy MS/MS dataASMS 2019Neil Loftus1, Kirsten Hobby1, Alan Barnes1;1Shimadzu Corporation, Manchester, UK. A novel algorithm for automating fragment ion structureassignment using high mass accuracy MS/MS dataOverview• To help the interpretation of...
Key words
fragment, fragmentdia, diaalgorithm, algorithmstructures, structuresautomating, automatingassignment, assignmentmass, massion, ionassigned, assignednovel, novelstructure, structureassigning, assigningaccuracy, accuracyspectrum, spectrumdata
Methods: HRAM fragmentation data was acquired on several hundred compoundswhich included both high energy collisional dissociation (HCD) and trap collisioninduced dissociation (CID). HCD MS2 data was acquired at incremented energies from10 to 200% normalized to the mass of the precursor...
Key words
fragmentation, fragmentationhcd, hcdconcurrent, concurrentsubsequent, subsequentenergy, energyfragments, fragmentsfragment, fragmentloss, lossbreakdown, breakdownfigure, figurecompeting, competingmechanisms, mechanismsdissociation, dissociationprecursor, precursorpathways
PRODUCT SPECIFICATIONSOrbitrap ID-X Tribrid mass spectrometerTransforming small molecule identificationand structure elucidationKeywordsOrbitrap ID-X mass spectrometer,AcquireX, small molecule identification,structure elucidation, TribridThe Thermo Scientific™ Orbitrap ID-X™Tribrid™ mass spectrometer redefinessmall molecule identification andcharacterization by leveraging theproven and trusted Tribrid architecturewith new automated data acquisitionand...
Key words
ion, ionorbitrap, orbitrapmass, massexclusion, exclusioninclusion, inclusionrouting, routingmultipole, multipoleacquirex, acquirexmsn, msnmolecule, moleculetribrid, tribridhcd, hcdtrap, trapanalyzer, analyzerprecursors
Identification and Fragmentation ofSucralose Using Accurate-MassQ-TOF LC/MS and MolecularStructure Correlator SoftwareApplication NoteFood and EnvironmentalAuthorsAbstractImma Ferrer and E. Michael ThurmanThe use of Accurate-Mass Q-TOF LC/MS and MS/MS, in both positive and negativeCenter for Environmental Masselectrospray ionization (ESI) modes, was evaluated for...
Key words
sucralose, sucralosetof, tofsodium, sodiumnegative, negativemsc, mscaccurate, accuratemass, massion, ionpositive, positivestructure, structureesi, esiadduct, adductfragmentation, fragmentationcorrelator, correlatorproposed
 

Similar PDF

PO-CON1885EA novel algorithm for automatingfragment ion structure assignmentusing high mass accuracy MS/MS dataASMS 2019Neil Loftus1, Kirsten Hobby1, Alan Barnes1;1Shimadzu Corporation, Manchester, UK. A novel algorithm for automating fragment ion structureassignment using high mass accuracy MS/MS dataOverview• To help the interpretation of...
Key words
fragment, fragmentdia, diaalgorithm, algorithmstructures, structuresautomating, automatingassignment, assignmentmass, massion, ionassigned, assignednovel, novelstructure, structureassigning, assigningaccuracy, accuracyspectrum, spectrumdata
Methods: HRAM fragmentation data was acquired on several hundred compoundswhich included both high energy collisional dissociation (HCD) and trap collisioninduced dissociation (CID). HCD MS2 data was acquired at incremented energies from10 to 200% normalized to the mass of the precursor...
Key words
fragmentation, fragmentationhcd, hcdconcurrent, concurrentsubsequent, subsequentenergy, energyfragments, fragmentsfragment, fragmentloss, lossbreakdown, breakdownfigure, figurecompeting, competingmechanisms, mechanismsdissociation, dissociationprecursor, precursorpathways
PRODUCT SPECIFICATIONSOrbitrap ID-X Tribrid mass spectrometerTransforming small molecule identificationand structure elucidationKeywordsOrbitrap ID-X mass spectrometer,AcquireX, small molecule identification,structure elucidation, TribridThe Thermo Scientific™ Orbitrap ID-X™Tribrid™ mass spectrometer redefinessmall molecule identification andcharacterization by leveraging theproven and trusted Tribrid architecturewith new automated data acquisitionand...
Key words
ion, ionorbitrap, orbitrapmass, massexclusion, exclusioninclusion, inclusionrouting, routingmultipole, multipoleacquirex, acquirexmsn, msnmolecule, moleculetribrid, tribridhcd, hcdtrap, trapanalyzer, analyzerprecursors
Identification and Fragmentation ofSucralose Using Accurate-MassQ-TOF LC/MS and MolecularStructure Correlator SoftwareApplication NoteFood and EnvironmentalAuthorsAbstractImma Ferrer and E. Michael ThurmanThe use of Accurate-Mass Q-TOF LC/MS and MS/MS, in both positive and negativeCenter for Environmental Masselectrospray ionization (ESI) modes, was evaluated for...
Key words
sucralose, sucralosetof, tofsodium, sodiumnegative, negativemsc, mscaccurate, accuratemass, massion, ionpositive, positivestructure, structureesi, esiadduct, adductfragmentation, fragmentationcorrelator, correlatorproposed
 

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