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Compound annotation in liquid chromatography/high‐resolution mass spectrometry based metabolomics: robust adduct ion determination as a prerequisite to structure prediction in electrospray ionization mass spectra

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1007/s11306-013-0539-4openalex-snapshot

Precursor mass prediction by clustering ionization products in LC-MS-based metabolomics

inferredcites →https://doi.org/10.1016/j.jpba.2013.06.032openalex-snapshot

Current practice of liquid chromatography–mass spectrometry in metabolomics and metabonomics

inferredcites →https://doi.org/10.1021/ac051437yopenalex-snapshot

XCMS: Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and Identification

inferredcites →https://doi.org/10.1021/ac202450gopenalex-snapshot

CAMERA: An Integrated Strategy for Compound Spectra Extraction and Annotation of Liquid Chromatography/Mass Spectrometry Data Sets

inferredcites →https://doi.org/10.1021/ac501530dopenalex-snapshot

RAMClust: A Novel Feature Clustering Method Enables Spectral-Matching-Based Annotation for Metabolomics Data

inferredcites →https://doi.org/10.1021/ac9904011openalex-snapshot

Discovery of Quasi-Molecular Ions in Electrospray Spectra by Automated Searching for Simultaneous Adduct Mass Differences

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Hydrogen Rearrangement Rules: Computational MS/MS Fragmentation and Structure Elucidation Using MS-FINDER Software

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Enabling Efficient and Confident Annotation of LC−MS Metabolomics Data through MS1 Spectrum and Time Prediction

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Automated Annotation and Evaluation of In-Source Mass Spectra in GC/Atmospheric Pressure Chemical Ionization-MS-Based Metabolomics

inferredcites →https://doi.org/10.1038/nrd.2016.32openalex-snapshot

Emerging applications of metabolomics in drug discovery and precision medicine

inferredcites →https://doi.org/10.1038/nrm.2016.25openalex-snapshot

Metabolomics: beyond biomarkers and towards mechanisms

inferredcites →https://doi.org/10.1093/nar/gku436openalex-snapshot

CFM-ID: a web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra

inferredcites →https://doi.org/10.1093/nar/gkv1042openalex-snapshot

Metabolomics Workbench: An international repository for metabolomics data and metadata, metabolite standards, protocols, tutorials and training, and analysis tools

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MetFrag relaunched: incorporating strategies beyond in silico fragmentation

inferredcites →https://doi.org/10.3390/metabo3020506openalex-snapshot

Molecular Formula Identification with SIRIUS

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Ion-neutral Clustering of Bile Acids in Electrospray Ionization Across UPLC Flow Regimes

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Stacked Injections of Biphasic Extractions for Improved Metabolomic Coverage and Sample Throughput

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Nontargeted Identification of Tracer Incorporation in High-Resolution Mass Spectrometry

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