Fragmentation Outcome Modelling: Prototype software for prediction of CID fragment ions for small molecule structuresPostery | 2013 | ShimadzuInstrumentationSoftware, LC/HRMS, LC/MS, LC/MS/MSManufacturerShimadzuKey wordsprediction, fragment, outcome, fragmentation, modelling, cid, structures, molecule, diazepine, ions, midazolam, small, software, hydroxyl, number, successfully, loss, encapsulate, shadowed, combined, each, ring, including, total, commercially, representations, data, were, imidazole, series, unique, fluorine, group, radical, applied, prototype, ion, optimised, relating, images, equally, greatest, marked, available, predict, purposes, rings, mechanisms, packages, generating
A novel algorithm for automating fragment ion structure assignment using high mass accuracy MS/MS data
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...
fragment, fragmentdia, diaalgorithm, algorithmstructures, structuresautomating, automatingassignment, assignmentmass, massion, ionassigned, assignednovel, novelstructure, structureassigning, assigningaccuracy, accuracyspectrum, spectrumdata
A Comparison of Sequential Fragmentation at High Energies with True MSn Analysis Utilizing Energy Dependent Breakdown Curves
2015|Thermo Fischer Scientific|Postery
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...
fragmentation, fragmentationhcd, hcdconcurrent, concurrentsubsequent, subsequentenergy, energyfragments, fragmentsfragment, fragmentloss, lossbreakdown, breakdownfigure, figurecompeting, competingmechanisms, mechanismsdissociation, dissociationprecursor, precursorpathways
Thermo Scientific Orbitrap ID-X Tribrid mass spectrometer - PRODUCT SPECIFICATIONS
2018|Thermo Fischer Scientific|Brožury a specifikace
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...
ion, ionorbitrap, orbitrapmass, massexclusion, exclusioninclusion, inclusionrouting, routingmultipole, multipoleacquirex, acquirexmsn, msnmolecule, moleculetribrid, tribridhcd, hcdtrap, trapanalyzer, analyzerprecursors
Identification and Fragmentation of Sucralose Using Accurate-Mass Q-TOF LC/MS and Molecular Structure Correlator Software
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...
sucralose, sucralosetof, tofsodium, sodiumnegative, negativemsc, mscaccurate, accuratemass, massion, ionpositive, positivestructure, structureesi, esiadduct, adductfragmentation, fragmentationcorrelator, correlatorproposed