About: Annotating Nontargeted LC-HRMS/MS Data with Two Complementary Tandem Mass Spectral Libraries

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scientific article published on 23 December 2018

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rdf:type	Item
description	wetenschappelijk artikel (nl) bài báo khoa học (vi) наукова стаття, опублікована в грудні 2018 (uk) article scientifique publié en 2018 (fr) im Dezember 2018 veröffentlichter wissenschaftlicher Artikel (de) artículu científicu espublizáu n'avientu de 2018 (ast) scientific article published on 23 December 2018 (en)
publication date	wds:Q61813879-E46031D0-0F16-4011-9482-A761BD07EC97
publication date	2018-12-23 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q61813879-1E5C5B7D-5A35-44D6-893C-2BB14EFCD8F4
language of work or name	English
cites work	wds:Q61813879-0012B0EF-5963-435E-BD52-8FA7115201A2 wds:Q61813879-0E8DF7C6-AFBE-401B-9CEA-7991ED1CAAC8 wds:Q61813879-0F0DA5D8-6CFE-4E21-9A34-FB5C0C17AB3E wds:Q61813879-201A5A43-4032-4ACD-B49D-1977CE74A2D7 wds:Q61813879-2446EAA5-9A3C-4AF5-AA5A-6655A2594084 wds:Q61813879-27C100F3-4425-4EC2-B4F8-594B89F9EC08 wds:Q61813879-2E0002C7-6B36-4AA4-B851-238AC627057B wds:Q61813879-2EF20754-FCFA-407E-86E6-CC933821936D wds:Q61813879-3712B17A-50AC-4720-A879-982CAFAC3735 wds:Q61813879-3BAF226E-0FB6-4733-9D5E-74DE1555B18A wds:Q61813879-4660F195-848E-49EA-BB06-D5F5A48C0C45 wds:Q61813879-49347721-60C4-48A6-8A4F-8E649C95E839 wds:Q61813879-5576F65A-0D06-4EF7-89D5-874EBF910DC1 wds:Q61813879-56752846-7F21-4A89-BC3F-771B0806462E wds:Q61813879-5D6ED29E-4041-4AB2-B384-31276C5E78B7 wds:Q61813879-7654CBE6-A809-475F-8910-9889DDCB103A wds:Q61813879-7EA3B527-DBC8-4C15-BAE9-7B6ABB7539BA wds:Q61813879-812FDEE9-44A0-4727-99BB-9E431C64E60B wds:Q61813879-8F3BE6AF-E866-4B16-AA7B-6EA687B28373 wds:Q61813879-953141C5-03CD-43C7-BC08-D2DED4F76362 wds:Q61813879-98EC8D47-CD77-4602-95B3-0CAC4ACA2E54 wds:Q61813879-A9CA7EA4-15E0-49D8-B8CC-EC77CB5FA7DE wds:Q61813879-AEAF2FE5-B734-4C42-A77C-F1B41EEAF1ED wds:Q61813879-B66FA386-47D1-4634-A728-EC07FC097A3E wds:Q61813879-B84D7B09-F42A-43C8-86C3-8743F2C52FEE wds:Q61813879-D0D3935C-6060-4BF2-A61A-9ACF8C44EDE2 wds:Q61813879-D80E1D15-2C50-4CE6-BAD4-3DD6D57688B9 wds:Q61813879-DA116C03-6A5D-440C-A283-27CE1EC18C48 wds:Q61813879-E24C2B01-9289-47FB-A74F-FACF34729535 wds:Q61813879-E465D4FA-1723-460C-A96C-7F7B8B9264A1 wds:Q61813879-F10C601F-87B6-4A50-A040-0A02B773BC81 wds:Q61813879-F5DB433F-DA51-48D2-873A-529FAEAA22A8 wds:Q61813879-FF5A03AA-5EBC-48C4-AD0B-B686648CBB5E wds:Q61813879-FF67745A-892E-430B-9B58-B564B9BFF63C
cites work	Mass spectral databases for LC/MS- and GC/MS-based metabolomics: State of the field and future prospects Proposed minimum reporting standards for chemical analysis Automatic recalibration and processing of tandem mass spectra using formula annotation On the inter-instrument and inter-laboratory transferability of a tandem mass spectral reference library: 1. Results of an Austrian multicenter study. X-Rank: a robust algorithm for small molecule identification using tandem mass spectrometry Quality control for building libraries from electrospray ionization tandem mass spectra ProteoWizard: open source software for rapid proteomics tools development MassBank: a public repository for sharing mass spectral data for life sciences METLIN: a metabolite mass spectral database Is nontarget screening of emerging contaminants by LC-HRMS successful? A plea for compound libraries and computer tools LC-high resolution MS in environmental analysis: from target screening to the identification of unknowns Combined use of ESI-QqTOF-MS and ESI-QqTOF-MS/MS with mass-spectral library search for qualitative analysis of drugs On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library: 2. Optimization and characterization of the search algorithm On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library. 3. Focus on ion trap and upfront CID. Mass spectral reference libraries: an ever-expanding resource for chemical identification Strategies to characterize polar organic contamination in wastewater: exploring the capability of high resolution mass spectrometry Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence Suspect and nontarget screening approaches to identify organic contaminant records in lake sediments Detection and identification of drugs and toxicants in human body fluids by liquid chromatography-tandem mass spectrometry under data-dependent acquisition control and automated database search Applying 'Sequential Windowed Acquisition of All Theoretical Fragment Ion Mass Spectra' (SWATH) for systematic toxicological analysis with liquid chromatography-high-resolution tandem mass spectrometry The WEIZMASS spectral library for high-confidence metabolite identification MetDIA: Targeted Metabolite Extraction of Multiplexed MS/MS Spectra Generated by Data-Independent Acquisition Extended Suspect and Non-Target Strategies to Characterize Emerging Polar Organic Contaminants in Raw Wastewater with LC-HRMS/MS. Compound identification in forensic toxicological analysis with untargeted LC-MS-based techniques. Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis Identification of small molecules using accurate mass MS/MS search Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics Mind the Gap: Mapping Mass Spectral Databases in Genome-Scale Metabolic Networks Reveals Poorly Covered Areas Trends in the application of high-resolution mass spectrometry for human biomonitoring: An analytical primer to studying the environmental chemical space of the human exposome Exploring the Potential of a Global Emerging Contaminant Early Warning Network through the Use of Retrospective Suspect Screening with High-Resolution Mass Spectrometry Evaluation of the sensitivity of the 'Wiley registry of tandem mass spectral data, MSforID' with MS/MS data of the 'NIST/NIH/EPA mass spectral library'. Quality evaluation of tandem mass spectral libraries Successful adaption of a forensic toxicological screening workflow employing nontargeted liquid chromatography-tandem mass spectrometry to water analysis. Testing an alternative search algorithm for compound identification with the 'Wiley Registry of Tandem Mass Spectral Data, MSforID'.
author name string	wds:Q61813879-236DD6EE-7762-4584-BE28-F8ED1E4368A5 wds:Q61813879-28A1C472-C339-48BC-84F3-AD46E216D64C
author name string	Marco Kreidl Vera Reinstadler
rdfs:label	Annotating Nontargeted LC-HRMS/MS Data with Two Complementary Tandem Mass Spectral Libraries (en) Annotating Nontargeted LC-HRMS/MS Data with Two Complementary Tandem Mass Spectral Libraries (nl)
skos:prefLabel	Annotating Nontargeted LC-HRMS/MS Data with Two Complementary Tandem Mass Spectral Libraries (en) Annotating Nontargeted LC-HRMS/MS Data with Two Complementary Tandem Mass Spectral Libraries (nl)
name	Annotating Nontargeted LC-HRMS/MS Data with Two Complementary Tandem Mass Spectral Libraries (en) Annotating Nontargeted LC-HRMS/MS Data with Two Complementary Tandem Mass Spectral Libraries (nl)
author	wds:Q61813879-41756C8B-6AF6-4AD2-9EB0-A1BB68B10F4B wds:Q61813879-7FEFD391-D77C-4DCE-A698-6609BD3171E7 wds:Q61813879-9D997A4D-1098-4698-B101-CAF156B725B9 wds:Q61813879-B0B10954-9E35-43FC-B705-F82F5E0C79F4
author	Emma L. Schymanski Herbert Oberacher Juliane Hollender Michael A Stravs
title	wds:Q61813879-564A9DEA-BAFF-427A-AA4E-58D45E0A9687
title	Annotating Nontargeted LC-HRMS/MS Data with Two Complementary Tandem Mass Spectral Libraries (en)

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