Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment

Mass spectrometry searches using MASST

(2020) Mingxun Wang et al.   NATURE BIOTECHNOLOGY

Protocol for community‐created public MS/MS reference spectra within the Global Natural Products Social Molecular Networking infrastructure

(2020) Fernando Vargas et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Reproducible molecular networking of untargeted mass spectrometry data using GNPS

(2020) Allegra T. Aron et al.   Nature Protocols

MS-CleanR: A Feature-Filtering Workflow for Untargeted LC–MS Based Metabolomics

(2020) Ophélie Fraisier-Vannier et al.   ANALYTICAL CHEMISTRY

A lipidome atlas in MS-DIAL 4

(2020) Hiroshi Tsugawa et al.   NATURE BIOTECHNOLOGY

Feature-based molecular networking in the GNPS analysis environment

(2020) Louis-Félix Nothias et al.   NATURE METHODS

Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra

(2020) Kai Dührkop et al.   NATURE BIOTECHNOLOGY

Chemically informed analyses of metabolomics mass spectrometry data with Qemistree

(2020) Anupriya Tripathi et al.   Nature Chemical Biology

Exploring Secondary Metabolite Profiles of Stachybotrys spp. by LC-MS/MS

(2019) Annika Jagels et al.   Toxins

SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information

(2019) Kai Dührkop et al.   NATURE METHODS

A cheminformatics approach to characterize metabolomes in stable-isotope-labeled organisms

(2019) Hiroshi Tsugawa et al.   NATURE METHODS

CliqueMS: A computational tool for annotating in-source metabolite ions from LC-MS untargeted metabolomics data based on a coelution similarity network

(2019) Oriol Senan et al.   BIOINFORMATICS

Untargeted Mass Spectrometry-Based Metabolomics Approach Unveils Molecular Changes in Raw and Processed Foods and Beverages

(2019) Julia M. Gauglitz et al.   FOOD CHEMISTRY

Propagating annotations of molecular networks using in silico fragmentation

(2018) Ricardo R. da Silva et al.   PLoS Computational Biology

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

(2017) Carsten Jaeger et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Molecular Networking As a Drug Discovery, Drug Metabolism, and Precision Medicine Strategy

(2017) Robert A. Quinn et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking

(2016) Mingxun Wang et al.   NATURE BIOTECHNOLOGY

MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysis

(2015) Hiroshi Tsugawa et al.   NATURE METHODS

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

(2014) C. D. Broeckling et al.   ANALYTICAL CHEMISTRY

Mass spectral molecular networking of living microbial colonies

(2012) J. Watrous et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

(2011) Carsten Kuhl et al.   ANALYTICAL CHEMISTRY

MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data

(2010) Tomáš Pluskal et al.   BMC BIOINFORMATICS