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Building curated and annotated HRAM MSn spectral libraries to aid in unknown structure elucidation

 

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APPLICATION NOTE 65363 Novel structure-based profiling and annotation workflow—high-throughput analysis of flavonoids using the Thermo Scientific Orbitrap ID-X Tribrid MS Authors Reiko Kiyonami1, Iwao Sakane2, Seema Sharma1, Graeme McAlister1, Caroline Ding1 and Andreas Huhmer1 Thermo Fisher Scientific, ITO EN, LTD,…
Key words
flavonoid, flavonoidstructure, structuretree, treespectral, spectralcentroids, centroidsfragment, fragmentunknown, unknownmsn, msnannotation, annotationlibrary, librarymatch, matchcompound, compoundmzcloud, mzcloudblazer, blazerflavonoids
Flavonoid Annotation Using a Product Ion-Dependent MSn Data Acquisition Method on a Tribrid Orbitrap Mass Spectrometer Reiko Kiyonami1, Iwao Sakane2, Seema Sharma1, Graeme McAlister1, Caroline Ding1 and Andreas Huhmer1 1Thermo Fisher Scientific, San Jose, CA, USA, 2ITO EN, LTD, Tokyo,…
Key words
flavonoid, flavonoidmsn, msnannotation, annotationtree, treestructure, structuremzcloud, mzcloudfish, fishdata, datafragment, fragmentspectral, spectralflavonoids, flavonoidsscore, scorejuice, juiceworkflow, workflowion
Flavonoid profiling and annotation using a product ion-dependent MSn data acquisition method on a Tribrid Orbitrap mass spectrometer Elizabeth Crawford1, Reiko Kiyonami3, Iwao Sakane2, Seema Sharma3, Graeme McAlister3, Caroline Ding3 and Andreas Huhmer3 1Thermo Fisher Scientific, Dreieich, Germany, 2ITO EN,…
Key words
flavonoid, flavonoidmsn, msnannotation, annotationtree, treejuice, juiceflavonoids, flavonoidsfragment, fragmentstructure, structurefish, fishspectral, spectralblazer, blazerdata, datatribrid, tribridorbitrap, orbitrapkale
SMART NOTE mzLogic Data Analysis Algorithm Accelerate small-molecule unknown identification When there is no spectral library match for your small-molecule unknown compound, how can you use your data to confidently assign a structure? Many small-molecule analyses, from metabolism studies and…
Key words
fragmentation, fragmentationmzlogic, mzlogicsubstructure, substructureranked, rankedunknown, unknownstructures, structuresmzcloud, mzcloudfingerprinting, fingerprintingfrontier, frontierputative, putativeannotated, annotatedpublicly, publiclyhow, howdata, dataonline
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