Constructing a mass measurement error surface to improve automatic annotations in liquid chromatography/mass spectrometry based metabolomics

Iterative Method for Mass Spectra Recalibration via Empirical Estimation of the Mass Calibration Function for Fourier Transform Mass Spectrometry-Based Petroleomics

(2013) Anton N. Kozhinov et al.   ANALYTICAL CHEMISTRY

Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics

(2012) Warwick B. Dunn et al.   Metabolomics

Mass Spectrometry and Informatics: Distribution of Molecules in the PubChem Database and General Requirements for Mass Accuracy in Surface Analysis

(2011) F. M. Green et al.   ANALYTICAL CHEMISTRY

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

(2011) Carsten Kuhl et al.   ANALYTICAL CHEMISTRY

LC-MS based global metabolite profiling of grapes: solvent extraction protocol optimisation

(2011) Georgios Theodoridis et al.   Metabolomics

MI-Pack: Increased confidence of metabolite identification in mass spectra by integrating accurate masses and metabolic pathways

(2010) Ralf J.M. Weber et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Dual Labeling of Metabolites for Metabolome Analysis (DLEMMA): A New Approach for the Identification and Relative Quantification of Metabolites by Means of Dual Isotope Labeling and Liquid Chromatography−Mass Spectrometry

(2009) Liron Feldberg et al.   ANALYTICAL CHEMISTRY

fdrtool: a versatile R package for estimating local and tail area-based false discovery rates

(2008) K. Strimmer   BIOINFORMATICS

Accurate mass error correction in liquid chromatography time-of-flight mass spectrometry based metabolomics

(2008) Velitchka V. Mihaleva et al.   Metabolomics

Increasing the mass accuracy of high-resolution LC-MS data using background ions - a case study on the LTQ-Orbitrap

(2008) Richard A. Scheltema et al.   PROTEOMICS