ISFrag: De Novo Recognition of In-Source Fragments for Liquid Chromatography–Mass Spectrometry Data

DaDIA: Hybridizing Data-Dependent and Data-Independent Acquisition Modes for Generating High-Quality Metabolomic Data

(2021) Jian Guo et al.   ANALYTICAL CHEMISTRY

Recognizing Contamination Fragment Ions in Liquid Chromatography–Tandem Mass Spectrometry Data

(2021) Shipei Xing et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Evaluation of Lipid In-Source Fragmentation on Different Orbitrap-based Mass Spectrometers

(2020) Angela Criscuolo et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Comparison of Full-Scan, Data-Dependent, and Data-Independent Acquisition Modes in Liquid Chromatography–Mass Spectrometry Based Untargeted Metabolomics

(2020) Jian Guo et al.   ANALYTICAL CHEMISTRY

Chemical Discovery in the Era of Metabolomics

(2020) Miriam Sindelar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The application of in-source fragmentation in ultra-high performance liquid chromatography-electrospray ionization -tandem mass spectrometry for pesticide residue analysis

(2020) Zeying He et al.   JOURNAL OF CHROMATOGRAPHY A

RECOGNITION AND AVOIDANCE OF ION SOURCE‐GENERATED ARTIFACTS IN LIPIDOMICS ANALYSIS

(2020) Changfeng Hu et al.   MASS SPECTROMETRY REVIEWS

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

(2019) Kai Dührkop 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

Autonomous METLIN-Guided In-source Fragment Annotation for Untargeted Metabolomics

(2019) Xavier Domingo-Almenara et al.   ANALYTICAL CHEMISTRY

Deep annotation of untargeted LC-MS metabolomics data with Binner

(2019) Maureen Kachman et al.   BIOINFORMATICS

Comprehensive Tandem-Mass-Spectrometry Coverage of Complex Samples Enabled by Data-Set-Dependent Acquisition

(2018) Corey D. Broeckling et al.   ANALYTICAL CHEMISTRY

METLIN: A Technology Platform for Identifying Knowns and Unknowns

(2018) Carlos Guijas et al.   ANALYTICAL CHEMISTRY

Optimization of ESI-Source Parameters for Lipidomics Reduces Misannotation of In-Source Fragments as Precursor Ions

(2018) Rose Muthoni Gathungu et al.   ANALYTICAL CHEMISTRY

Defining and Detecting Complex Peak Relationships in Mass Spectral Data: The Mz.unity Algorithm

(2016) Nathaniel G. Mahieu et al.   ANALYTICAL CHEMISTRY

Avoiding Misannotation of In-Source Fragmentation Products as Cellular Metabolites in Liquid Chromatography–Mass Spectrometry-Based Metabolomics

(2015) Yi-Fan Xu et al.   ANALYTICAL CHEMISTRY

Illuminating the dark matter in metabolomics: Fig. 1.

(2015) Ricardo R. da Silva et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Enhanced Detection and Identification in Metabolomics by Use of LC–MS/MS Untargeted Analysis in Combination with Gas-Phase Fractionation

(2014) Mónica Calderón-Santiago et al.   ANALYTICAL CHEMISTRY

Metabolomics: the apogee of the omics trilogy

(2012) Gary J. Patti et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

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

(2011) Carsten Kuhl et al.   ANALYTICAL CHEMISTRY

Analytical strategies for LC–MS-based targeted metabolomics

(2008) Wenyun Lu et al.   JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES