A Taxonomically-informed Mass Spectrometry Search Tool for Microbial Metabolomics Data.
Pieter C DorresteinSimone ZuffaRobin SchmidAnelize BauermeisterPaulo Wender Portal GomesAndres Caraballo-RodriguezYasin El AbieadAllegra AronEmily C GentryJasmine ZemlinMichael MeehanNicole AvalonRobert CichewiczEkaterina BuzunMarvic Carrillo-TerrazasChia-Yun HsuRenee OlesAdriana Vasquez AyalaJiaqi ZhaoHiutung ChuMirte KuijpersSara JackrelFidele TugizimanaLerato NephaliIan A DuberyNtakadzeni MadalaEduarda MoreiraLeticia Costa-LotufoNorberto Peporine LopesPaula Rezende-TeixeiraPaula JimenezBipin RimalAndrew D PattersonMatthew F TraxlerRita de Cassia PessottiDaniel Alvarado-VillalobosGiselle Tamayo-CastilloPriscila ChaverriEfrain Escudero-LeyvaLuis-Manuel Quiros-GuerreroAlexandre BoryJuliette JoubertAdriano RutzJean-Luc WolfenderPierre-Marie AllardAndreas SichertSammy PontrelliBenjamin PullmanNuno BandeiraWilliam GerwickKatia GindroJosep Massana-CodinaBerenike WagnerKarl ForchhammerDaniel PetrasNicole AiosaNeha GargManuel LiebekePatric BourceauKyo-Bin KangHenna GadhaviLuiz Pedro de CarvalhoMariana Silva Dos SantosAlicia Pérez-LorenteCarlos Molina-SantiagoDiego RomeroRaimo FrankeMark BrönstrupArturo Vera Ponce De LeonPhillip 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 O'NeillEve RoxboroughJane OdoiNicole BaleSu DingJaap S Sinninghe DamstéXue Li GuanJerry CuiKou-San JuDenise SilvaFernanda SilvaGilvan da SilvaHector KoolenCarlismari GrundmannJason ClementHosein MohimaniKirk BrodersKerry McPhailSidnee Ober-SingletonChristopher RathDaniel McDonaldRob KnightMingxun WangPublished in: Research square (2023)
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 microbial-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
- microbial community
- liquid chromatography
- human health
- high performance liquid chromatography
- gas chromatography
- capillary electrophoresis
- risk assessment
- high resolution
- liquid chromatography tandem mass spectrometry
- high resolution mass spectrometry
- emergency department
- multiple sclerosis
- tandem mass spectrometry
- rna seq
- artificial intelligence
- single cell
- molecular dynamics