A European proposal for quality control and quality assurance of tandem mass spectral libraries
出版年份 2020 全文链接
标题
A European proposal for quality control and quality assurance of tandem mass spectral libraries
作者
关键词
-
出版物
Environmental Sciences Europe
Volume 32, Issue 1, Pages -
出版商
Springer Science and Business Media LLC
发表日期
2020-03-14
DOI
10.1186/s12302-020-00314-9
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- (2019) Lorraine Gaston et al. ENVIRONMENTAL SCIENCE & TECHNOLOGY
- Mass spectral databases for metabolomics: How to build a consistently annotated mass spectral database from pure reference compounds analyzed under electrospray ionization conditions?
- (2019) Annelaure Damont et al. JOURNAL OF MASS SPECTROMETRY
- CFM-ID 3.0: Significantly Improved ESI-MS/MS Prediction and Compound Identification
- (2019) Yannick Djoumbou-Feunang et al. Metabolites
- Hybrid Search: A Method for Identifying Metabolites Absent from Tandem Mass Spectrometry Libraries
- (2019) Brian T. Cooper et al. ANALYTICAL CHEMISTRY
- “MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies
- (2018) Andrew D. McEachran et al. Journal of Cheminformatics
- PubChem 2019 update: improved access to chemical data
- (2018) Sunghwan Kim et al. NUCLEIC ACIDS RESEARCH
- Open Science for Identifying “Known Unknown” Chemicals
- (2017) Emma L. Schymanski et al. ENVIRONMENTAL SCIENCE & TECHNOLOGY
- Nontarget Screening with High Resolution Mass Spectrometry in the Environment: Ready to Go?
- (2017) Juliane Hollender et al. ENVIRONMENTAL SCIENCE & TECHNOLOGY
- Mass Spectral Library Quality Assurance by Inter-Library Comparison
- (2017) William E. Wallace et al. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
- Identification of small molecules using accurate mass MS/MS search
- (2017) Tobias Kind et al. MASS SPECTROMETRY REVIEWS
- DrugBank 5.0: a major update to the DrugBank database for 2018
- (2017) David S Wishart et al. NUCLEIC ACIDS RESEARCH
- HMDB 4.0: the human metabolome database for 2018
- (2017) David S Wishart et al. NUCLEIC ACIDS RESEARCH
- Significance estimation for large scale metabolomics annotations by spectral matching
- (2017) Kerstin Scheubert et al. Nature Communications
- The CompTox Chemistry Dashboard: a community data resource for environmental chemistry
- (2017) Antony J. Williams et al. Journal of Cheminformatics
- Critical Assessment of Small Molecule Identification 2016: automated methods
- (2017) Emma L. Schymanski et al. Journal of Cheminformatics
- Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy
- (2017) Ivana Blaženović et al. Journal of Cheminformatics
- Dark matter in host-microbiome metabolomics: Tackling the unknowns–A review
- (2017) B.Y. Loulou Peisl et al. ANALYTICA CHIMICA ACTA
- Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking
- (2016) Mingxun Wang et al. NATURE BIOTECHNOLOGY
- Exposome-Explorer: a manually-curated database on biomarkers of exposure to dietary and environmental factors
- (2016) Vanessa Neveu et al. NUCLEIC ACIDS RESEARCH
- Mass spectral libraries: A statistical review of the visible use
- (2016) Boris L. Milman et al. TRAC-TRENDS IN ANALYTICAL CHEMISTRY
- Current status of non-targeted liquid chromatography-tandem mass spectrometry in forensic toxicology
- (2016) Herbert Oberacher et al. TRAC-TRENDS IN ANALYTICAL CHEMISTRY
- Mass spectral databases for LC/MS- and GC/MS-based metabolomics: State of the field and future prospects
- (2016) Maria Vinaixa et al. TRAC-TRENDS IN ANALYTICAL CHEMISTRY
- MetFrag relaunched: incorporating strategies beyond in silico fragmentation
- (2016) Christoph Ruttkies et al. Journal of Cheminformatics
- PredRet: Prediction of Retention Time by Direct Mapping between Multiple Chromatographic Systems
- (2015) Jan Stanstrup et al. ANALYTICAL CHEMISTRY
- Suspect screening of large numbers of emerging contaminants in environmental waters using artificial neural networks for chromatographic retention time prediction and high resolution mass spectrometry data analysis
- (2015) Richard Bade et al. SCIENCE OF THE TOTAL ENVIRONMENT
- Compound identification in forensic toxicological analysis with untargeted LC–MS-based techniques
- (2015) Herbert Oberacher et al. Bioanalysis
- Quality Control for Building Libraries from Electrospray Ionization Tandem Mass Spectra
- (2014) Xiaoyu Yang et al. ANALYTICAL CHEMISTRY
- Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence
- (2014) Emma L. Schymanski et al. ENVIRONMENTAL SCIENCE & TECHNOLOGY
- Comparison of the activation time effects and the internal energy distributions for the CID, PQD and HCD excitation modes
- (2014) Farid Ichou et al. JOURNAL OF MASS SPECTROMETRY
- CFM-ID: a web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra
- (2014) Felicity Allen et al. NUCLEIC ACIDS RESEARCH
- T3DB: the toxic exposome database
- (2014) David Wishart et al. NUCLEIC ACIDS RESEARCH
- Quantitative structure–retention relationships models for prediction of high performance liquid chromatography retention time of small molecules: Endogenous metabolites and banned compounds
- (2013) Krzysztof Goryński et al. ANALYTICA CHIMICA ACTA
- Automatic recalibration and processing of tandem mass spectra using formula annotation
- (2013) Michael A. Stravs et al. JOURNAL OF MASS SPECTROMETRY
- Testing an alternative search algorithm for compound identification with the ‘Wiley Registry of Tandem Mass Spectral Data, MSforID’
- (2013) Herbert Oberacher et al. JOURNAL OF MASS SPECTROMETRY
- Mass Spectral Reference Libraries: An Ever-Expanding Resource for Chemical Identification
- (2012) Stephen Stein ANALYTICAL CHEMISTRY
- 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
- HMDB 3.0—The Human Metabolome Database in 2013
- (2012) David S. Wishart et al. NUCLEIC ACIDS RESEARCH
- RIKEN tandem mass spectral database (ReSpect) for phytochemicals: A plant-specific MS/MS-based data resource and database
- (2012) Yuji Sawada et al. PHYTOCHEMISTRY
- Toward Global Metabolomics Analysis with Hydrophilic Interaction Liquid Chromatography–Mass Spectrometry: Improved Metabolite Identification by Retention Time Prediction
- (2011) Darren J. Creek 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
- Building and Searching Tandem Mass Spectral Libraries for Peptide Identification
- (2011) Henry Lam MOLECULAR & CELLULAR PROTEOMICS
- Open Babel: An open chemical toolbox
- (2011) Noel M O'Boyle et al. Journal of Cheminformatics
- MassBank: a public repository for sharing mass spectral data for life sciences
- (2010) Hisayuki Horai et al. JOURNAL OF MASS SPECTROMETRY
- X-Rank: A Robust Algorithm for Small Molecule Identification Using Tandem Mass Spectrometry
- (2009) Roman Mylonas et al. ANALYTICAL CHEMISTRY
- Targeting aquatic microcontaminants for monitoring: exposure categorization and application to the Swiss situation
- (2009) Christian W. Götz et al. ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
- On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library: 2. Optimization and characterization of the search algorithm
- (2009) Herbert Oberacher et al. JOURNAL OF MASS SPECTROMETRY
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