Structure Annotation of All Mass Spectra in Untargeted Metabolomics

scientific article published on 16 January 2019

Structure Annotation of All Mass Spectra in Untargeted Metabolomics is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1021/ACS.ANALCHEM.8B04698
P698PubMed publication ID30608141

P50authorSajjan S MehtaQ43370332
Megan R ShowalterQ105758321
Oliver FiehnQ28540892
Tobias KindQ29052381
P2093author name stringDieter Jahn
Jian Ji
Tack Lee
Hosook Song
Jayoung Kim
Arpana Vaniya
Benjamin Wancewicz
Ivana Blaženović
Bryan S Roberts
Hrvoje Torbašinović
Jessica Kwok
Michael R Sa
P2860cites workThe human urine metabolomeQ21132532
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Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracyQ42975018
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Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating ConfidenceQ52278017
The Chemical Translation Service--a web-based tool to improve standardization of metabolomic reportsQ27062596
MS-DIAL: data-independent MS/MS deconvolution for comprehensive metabolome analysisQ27807488
RIKEN tandem mass spectral database (ReSpect) for phytochemicals: A plant-specific MS/MS-based data resource and databaseQ27807496
MassBank: a public repository for sharing mass spectral data for life sciencesQ27809667
Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular NetworkingQ27818844
ClassyFire: automated chemical classification with a comprehensive, computable taxonomyQ27902281
An in silico MS/MS library for automatic annotation of novel FAHFA lipidsQ27902308
Critical Assessment of Small Molecule Identification 2016: automated methodsQ29052362
P433issue3
P407language of work or nameEnglishQ1860
P921main subjectmetabolomicsQ12149006
P304page(s)2155-2162
P577publication date2019-01-16
P1433published inAnalytical ChemistryQ485223
P1476titleStructure Annotation of All Mass Spectra in Untargeted Metabolomics
P478volume91

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