Correction of precursor and product ion relative abundances in order to standardize CID spectra and improve Ecom50 accuracy for non-targeted metabolomics

Sum of the Parts: Mass Spectrometry-Based Metabolomics

(2013) Stephen B. Milne et al.   BIOCHEMISTRY

BioSM: Metabolomics Tool for Identifying Endogenous Mammalian Biochemical Structures in Chemical Structure Space

(2013) Mai A. Hamdalla et al.   Journal of Chemical Information and Modeling

UNTARGETED METABOLOMICS: AN EMERGING APPROACH TO DETERMINE THE COMPOSITION OF HERBAL PRODUCTS

(2013) Mauro Commisso et al.   Computational and Structural Biotechnology Journal

IDEOM: an Excel interface for analysis of LC–MS-based metabolomics data

(2012) Darren J. Creek et al.   BIOINFORMATICS

Development of Ecom50 and Retention Index Models for Nontargeted Metabolomics: Identification of 1,3-Dicyclohexylurea in Human Serum by HPLC/Mass Spectrometry

(2012) L. Mark Hall et al.   Journal of Chemical Information and Modeling

The (Un)Certainty of Selectivity in Liquid Chromatography Tandem Mass Spectrometry

(2012) Bjorn J. A. Berendsen et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

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

(2012) Warwick B. Dunn et al.   Metabolomics

An accelerated workflow for untargeted metabolomics using the METLIN database

(2012) Ralf Tautenhahn et al.   NATURE BIOTECHNOLOGY

Correlation of Ecom50values between mass spectrometers: effect of collision cell radiofrequency voltage on calculated survival yield

(2012) Dennis W. Hill et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

MassBank: a public repository for sharing mass spectral data for life sciences

(2010) Hisayuki Horai et al.   JOURNAL OF MASS SPECTROMETRY

Classical trajectories and RRKM modeling of collisional excitation and dissociation of benzylammonium and tert-butyl benzylammonium ions in a quadrupole-hexapole-quadrupole tandem mass spectrometer

(2009) Vadim D. Knyazev et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Metabolomics: A Global Biochemical Approach to Drug Response and Disease

(2008) Rima Kaddurah-Daouk et al.   Annual Review of Pharmacology and Toxicology

HMDB: a knowledgebase for the human metabolome

(2008) D. S. Wishart et al.   NUCLEIC ACIDS RESEARCH