Simultaneous screening of targeted and non-targeted contaminants using an LC-QTOF-MS system and automated MS/MS library searching

Identification and quantification of poly(amidoamine) PAMAM dendrimers of generations 0 to 3 by liquid chromatography/hybrid quadrupole time-of-flight mass spectrometry in aqueous medium

(2013) Maria Malgorzata Ulaszewska et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Combined use of liquid chromatography triple quadrupole mass spectrometry and liquid chromatography quadrupole time-of-flight mass spectrometry in systematic screening of pesticides and other contaminants in water samples

(2012) A. Masiá et al.   ANALYTICA CHIMICA ACTA

Qualitative aspects and validation of a screening method for pesticides in vegetables and fruits based on liquid chromatography coupled to full scan high resolution (Orbitrap) mass spectrometry

(2012) Hans G. J. Mol et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Identifying the Unknowns by Aligning Fragmentation Trees

(2012) Florian Rasche et al.   ANALYTICAL CHEMISTRY

Mass Spectral Reference Libraries: An Ever-Expanding Resource for Chemical Identification

(2012) Stephen Stein   ANALYTICAL CHEMISTRY

Fast alignment of fragmentation trees

(2012) Franziska Hufsky et al.   BIOINFORMATICS

Simultaneous measurement in mass and mass/mass mode for accurate qualitative and quantitative screening analysis of pharmaceuticals in river water

(2012) M.J. Martínez Bueno et al.   JOURNAL OF CHROMATOGRAPHY A

Fast and comprehensive multi-residue analysis of a broad range of human and veterinary pharmaceuticals and some of their metabolites in surface and treated waters by ultra-high-performance liquid chromatography coupled to quadrupole-linear ion trap tandem mass spectrometry

(2012) Meritxell Gros et al.   JOURNAL OF CHROMATOGRAPHY A

On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library. 3. Focus on ion trap and upfront CID

(2012) Herbert Oberacher et al.   JOURNAL OF MASS SPECTROMETRY

An accelerated workflow for untargeted metabolomics using the METLIN database

(2012) Ralf Tautenhahn et al.   NATURE BIOTECHNOLOGY

HMDB 3.0—The Human Metabolome Database in 2013

(2012) David S. Wishart et al.   NUCLEIC ACIDS RESEARCH

Multi-class determination of personal care products and pharmaceuticals in environmental and wastewater samples by ultra-high performance liquid-chromatography-tandem mass spectrometry

(2012) Emma Gracia-Lor et al.   TALANTA

Multi-residue method for trace level determination of pharmaceuticals in environmental samples using liquid chromatography coupled to triple quadrupole mass spectrometry

(2012) Roman Grabic et al.   TALANTA

Occurrence and removal of lidocaine, tramadol, venlafaxine, and their metabolites in German wastewater treatment plants

(2011) Paola C. Rúa-Gómez et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

Evaluation of Relevant Time-of-Flight-MS Parameters Used in HPLC/MS Full-Scan Screening Methods for Pesticide Residues

(2011) Milagros Mezcua et al.   JOURNAL OF AOAC INTERNATIONAL

Benefits and pitfalls of the application of screening methods for the analysis of pesticide residues in fruits and vegetables

(2011) Octavio Malato et al.   JOURNAL OF CHROMATOGRAPHY A

High-resolution mass spectrometry method for the detection, characterization and quantitation of pharmaceuticals in water

(2011) Rebeca Pinhancos et al.   JOURNAL OF MASS SPECTROMETRY

Fragmentation of toxicologically relevant drugs in positive-ion liquid chromatography-tandem mass spectrometry

(2011) W.M.A. Niessen   MASS SPECTROMETRY REVIEWS

Computational mass spectrometry for metabolomics: Identification of metabolites and small molecules

(2010) Steffen Neumann et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

A multi-target screening analysis in human plasma using fast liquid chromatography-hybrid tandem mass spectrometry (Part II)

(2010) V. Viette et al.   CLINICAL BIOCHEMISTRY

A multi-target screening analysis in human plasma using fast liquid chromatography–hybrid tandem mass spectrometry (Part I)

(2010) V. Viette et al.   CLINICAL BIOCHEMISTRY

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

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

Stereoselective determination of venlafaxine and its three demethylated metabolites in human plasma and whole blood by liquid chromatography with electrospray tandem mass spectrometric detection and solid phase extraction

(2010) Maria Kingbäck et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

On the inter-instrument and inter-laboratory transferability of a tandem mass spectral reference library: 1. Results of an Austrian multicenter study

(2009) Herbert Oberacher et al.   JOURNAL OF MASS SPECTROMETRY

Full scan MS in comprehensive qualitative and quantitative residue analysis in food and feed matrices: How much resolving power is required?

(2009) Markus Kellmann et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

False-positive liquid chromatography/tandem mass spectrometric confirmation of sebuthylazine residues using the identification points system according to EU directive 2002/657/EC due to a biogenic insecticide in tarragon

(2009) Andreas Schürmann et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

An accurate, rapid and sensitive determination of tramadol and its active metabolite O-desmethyltramadol in human plasma by LC–MS/MS

(2008) Bhavin N. Patel et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

HMDB: a knowledgebase for the human metabolome

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

Identification and confirmation of chemical residues in food by chromatography-mass spectrometry and other techniques

(2008) Steven J. Lehotay et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY