MS2Query: reliable and scalable MS mass spectra-based analogue search

scientific article published on 29 March 2023

MS2Query: reliable and scalable MS mass spectra-based analogue search is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1038/S41467-023-37446-4
P932PMC publication ID10060387
P698PubMed publication ID36990978

P50authorElena ChekmenevaQ58897020
Florian HuberQ60735170
Stephane CamuzeauxQ81348821
Robert S JansenQ93195828
P2093author name stringJustin J J van der Hooft
Joris J R Louwen
Femke J Vermeir
Niek F de Jonge
P2860cites workIn silico fragmentation for computer assisted identification of metabolite mass spectraQ21284354
Optimization and testing of mass spectral library search algorithms for compound identificationQ27807493
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
Fragmentation trees reloadedQ27902332
Proposed minimum reporting standards for chemical analysisQ27921801
PubChem Substance and Compound databasesQ27942588
Identifying the Unknowns by Aligning Fragmentation TreesQ28530233
XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identificationQ29616057
Mass spectral molecular networking of living microbial coloniesQ30519465
Candidatus 'Brocadia fulgida': an autofluorescent anaerobic ammonium oxidizing bacteriumQ34008767
Molecular mechanism of anaerobic ammonium oxidation.Q34028819
An accelerated workflow for untargeted metabolomics using the METLIN databaseQ34298853
Mass spectral reference libraries: an ever-expanding resource for chemical identificationQ34339989
LIPID MAPS online tools for lipid researchQ34640464
LipidBlast in silico tandem mass spectrometry database for lipid identificationQ34788808
Illuminating the dark matter in metabolomicsQ36179188
Searching molecular structure databases with tandem mass spectra using CSI:FingerID.Q36179301
Clustering millions of tandem mass spectraQ36869682
Development and Application of Ultra-Performance Liquid Chromatography-TOF MS for Precision Large Scale Urinary Metabolic Phenotyping.Q39537842
Metabolite identification through multiple kernel learning on fragmentation treesQ40750458
HMDB 4.0: the human metabolome database for 2018.Q43212324
Enrichment and characterization of marine anammox bacteria associated with global nitrogen gas productionQ44448875
Similarity of High-Resolution Tandem Mass Spectrometry Spectra of Structurally Related Micropollutants and Transformation ProductsQ47927681
Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identificationQ57014238
Mass spectrometry searches using MASSTQ92365644
Aspartate aminotransferase Rv3722c governs aspartate-dependent nitrogen metabolism in Mycobacterium tuberculosisQ93195835
Linking genomics and metabolomics to chart specialized metabolic diversityQ94563659
Reproducible molecular networking of untargeted mass spectrometry data using GNPSQ94671866
Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationshipsQ108126799
Random Forest for BioinformaticsQ108527510
Advancements in capturing and mining mass spectrometry data are transforming natural products researchQ108844055
Advances in decomposing complex metabolite mixtures using substructure- and network-based computational metabolomics approachesQ109735654
MS2DeepScore: a novel deep learning similarity measure to compare tandem mass spectraQ110367808
matchms - processing and similarity evaluation of mass spectrometry data.Q113307511
MassGenie: A Transformer-Based Deep Learning Method for Identifying Small Molecules from Their Mass SpectraQ114868054
Spectral similarity versus structural similarity: mass spectrometryQ114868648
MSNovelist: de novo structure generation from mass spectraQ114869084
Good practices and recommendations for using and benchmarking computational metabolomics metabolite annotation toolsQ124694954
P433issue1
P407language of work or nameEnglishQ1860
P304page(s)1752
P577publication date2023-03-29
P1433published inNature CommunicationsQ573880
P1476titleMS2Query: reliable and scalable MS mass spectra-based analogue search
P478volume14

Reverse relations

Q124694940Metabolome-guided genome mining of RiPP natural productscites workP2860

Search more.