Suspect and nontarget screening approaches to identify organic contaminant records in lake sediments

Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification

(2014) Felicity Allen et al.   Metabolomics

Alleviating the Reference Standard Dilemma Using a Systematic Exact Mass Suspect Screening Approach with Liquid Chromatography-High Resolution Mass Spectrometry

(2013) Christoph Moschet et al.   ANALYTICAL CHEMISTRY

Strategies to Characterize Polar Organic Contamination in Wastewater: Exploring the Capability of High Resolution Mass Spectrometry

(2013) Emma L. Schymanski et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Data, information, knowledge and principle: back to metabolism in KEGG

(2013) Minoru Kanehisa et al.   NUCLEIC ACIDS RESEARCH

Current use of high-resolution mass spectrometry in the environmental sciences

(2012) F. Hernández et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Screening of Lake Sediments for Emerging Contaminants by Liquid Chromatography Atmospheric Pressure Photoionization and Electrospray Ionization Coupled to High Resolution Mass Spectrometry

(2012) Aurea C. Chiaia-Hernandez et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Critical evaluation of screening techniques for emerging environmental contaminants based on accurate mass measurements with time-of-flight mass spectrometry

(2012) Joonas Nurmi et al.   JOURNAL OF MASS SPECTROMETRY

Automated Strategies To Identify Compounds on the Basis of GC/EI-MS and Calculated Properties

(2011) Emma L. Schymanski et al.   ANALYTICAL CHEMISTRY

Identification of “Known Unknowns” Utilizing Accurate Mass Data and Chemical Abstracts Service Databases

(2011) James L. Little et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

LC–high resolution MS in environmental analysis: from target screening to the identification of unknowns

(2010) Martin Krauss et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

In silico fragmentation for computer assisted identification of metabolite mass spectra

(2010) Sebastian Wolf et al.   BMC BIOINFORMATICS

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

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

Identification of Transformation Products of Organic Contaminants in Natural Waters by Computer-Aided Prediction and High-Resolution Mass Spectrometry

(2009) Susanne Kern et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Evaluation of various liquid chromatography-quadrupole-linear ion trap-mass spectrometry operation modes applied to the analysis of organic pollutants in wastewaters

(2009) María Jesús Martínez Bueno et al.   JOURNAL OF CHROMATOGRAPHY A

Accurate mass screening and identification of emerging contaminants in environmental samples by liquid chromatography–hybrid linear ion trap Orbitrap mass spectrometry

(2008) A.C. Hogenboom et al.   JOURNAL OF CHROMATOGRAPHY A

Rapid non-target screening of organic pollutants in water by ultraperformance liquid chromatography coupled to time-of-light mass spectrometry

(2008) María Ibáñez et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Identification and Determination of Hexachlorocyclopentadienyl- Dibromocyclooctane (HCDBCO) in Residential Indoor Air and Dust: A Previously Unreported Halogenated Flame Retardant in the Environment

(2007) Jiping Zhu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY