microbeMASST: a taxonomically informed mass spectrometry search tool for microbial metabolomics data.
Simone ZuffaRobin SchmidAnelize BauermeisterPaulo Wender Portal GomesAndres M Caraballo-RodriguezYasin El AbieadAllegra T AronEmily C GentryJasmine ZemlinMichael J MeehanNicole E AvalonRobert H CichewiczEkaterina BuzunMarvic Carrillo TerrazasChia-Yun HsuRenee OlesAdriana Vasquez AyalaJiaqi ZhaoHiutung ChuMirte C M KuijpersSara L JackrelFidele TugizimanaLerato Pertunia NephaliIan A DuberyNtakadzeni Edwin MadalaEduarda Antunes MoreiraLeticia Veras Costa-LotufoNorberto Peporine LopesPaula Rezende-TeixeiraPaula C JimenezBipin RimalAndrew D PattersonMatthew F TraxlerRita de Cassia PessottiDaniel Alvarado-VillalobosGiselle Tamayo-CastilloPriscila ChaverriEfraín Escudero-LeyvaLuis-Manuel Quiros-GuerreroAlexandre Jean BoryJuliette JoubertAdriano RutzJean-Luc WolfenderPierre-Marie AllardAndreas SichertSammy PontrelliBenjamin S PullmanNuno BandeiraWilliam H GerwickKatia GindroJosep Massana CodinaBerenike C WagnerKarl ForchhammerDaniel PetrasNicole AiosaNeha GargManuel LiebekePatric BourceauKyo-Bin KangHenna GadhaviLuiz Pedro Sorio de CarvalhoMariana Silva Dos SantosAlicia Isabel Pérez-LorenteCarlos Molina-SantiagoDiego RomeroRaimo FrankeMark BrönstrupArturo Vera Ponce de LeónPhillip Byron PopeSabina Leanti La RosaGiorgia La BarberaHenrik Munch RoagerMartin Frederik LaursenFabian HammerleBianka SiewertUrsula PeintnerCuauhtemoc Licona-CassaniLorena Rodriguez-OrduñaEvelyn RamplerFelina HildebrandGunda KoellenspergerHarald SchoenyKatharina HohenwallnerLisa PanzenboeckRachel GregorEllis Charles O'NeillEve Tallulah RoxboroughJane OdoiNicole J BaleSu DingJaap S Sinninghe DamstéXue Li GuanJerry J CuiKou-San JuDenise Brentan SilvaFernanda Motta Ribeiro SilvaGilvan Ferreira da SilvaHector H F KoolenCarlismari GrundmannJason A ClementHosein MohimaniKirk BrodersKerry L McPhailSidnee E Ober-SingletonChristopher M RathDaniel McDonaldRob KnightMingxun WangPieter C DorresteinPublished in: Nature microbiology (2024)
microbeMASST, a taxonomically informed mass spectrometry (MS) search tool, tackles limited microbial metabolite annotation in untargeted metabolomics experiments. Leveraging a curated database of >60,000 microbial monocultures, users can search known and unknown MS/MS spectra and link them to their respective microbial producers via MS/MS fragmentation patterns. Identification of microbe-derived metabolites and relative producers without a priori knowledge will vastly enhance the understanding of microorganisms' role in ecology and human health.
Keyphrases
- mass spectrometry
- ms ms
- liquid chromatography
- microbial community
- human health
- high performance liquid chromatography
- capillary electrophoresis
- gas chromatography
- risk assessment
- high resolution
- healthcare
- liquid chromatography tandem mass spectrometry
- high resolution mass spectrometry
- tandem mass spectrometry
- climate change
- multiple sclerosis
- emergency department
- deep learning