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21548/QXA21POSLAT20200304_UPSA020119PHML_HUMAN_EDTA_PLASMA49_25.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS407/FILES/Method 4 21022/QXA06POL20190818_UPSA0219ML_HUMAN_PLASMA21_04.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS407/FILES/Method 1 21022/QXA07POSEAR20190823_UPSA0219ML_HUMAN_PLASMA38_21.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS407/FILES/Method 3 21548/QXA20NEG20200225_UPSA020119PHML_HUMAN_EDTA_PLASMA23_34.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS407/FILES/Method 3 21548/QXA20NEG20200227_UPSA020119PHML_HUMAN_EDTA_PLASMA29_40.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS407/FILES/Method 2 21548/QXA21POSLAT20200221_UPSA020119PHML_HUMAN_EDTA_PLASMA14_25.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS407/FILES/Method 1 21022/QXA07POSEAR20190820_UPSA0219ML_HUMAN_PLASMA29_07.mzMLprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS407Compounds were identified by comparison to library entries of purified standards or recurrent unknown entities. Metabolon maintains a library based on authenticated standards that contains the retention time/index (RI), mass to charge ratio (m/z), and chromatographic data (including MS/MS spectral data) on all molecules present in the library. More than 4500 commercially available purified standard compounds have been acquired and registered into LIMS for analysis on all platforms for determination of their analytical characteristics. Additional mass spectral entries have been created for structurally unnamed biochemicals, which have been identified by virtue of their recurrent nature (both chromatographic and mass spectral). These compounds have the potential to be identified by future acquisition of a matching purified standard or by classical structural analysis.MetaboLightsPublicQ ExactiveAll methods utilize a Waters ACQUITY ultra-performance liquid chromatography (UPLC). Each reconstitution solvent contains a series of standards at fixed concentrations to ensure injection and chromatographic consistency. Method 1/Pos 1: One aliquot is analyzed using acidic positive ion conditions, chromatographically optimized for more hydrophilic compounds. In this method, the extract is gradient-eluted from a C18 column (Waters UPLC BEH C18-2.1x100 mm, 1.7 um) using water and methanol, containing 0.05% perfluoropentanoic acid (PFPA) and 0.1% formic acid (FA). Method 2/Pos 2: A second aliquot is also analyzed using acidic positive ion conditions, but is chromatographically optimized for more hydrophobic compounds. In this method, the extract is gradient eluted from the aforementioned C18 column using methanol, acetonitrile, water, 0.05% PFPA and 0.01% FA, and is operated at an overall higher organic content. Method 3/Neg 1: A third aliquot is analyzed using basic negative ion optimized conditions using a separate dedicated C18 column. The basic extracts are gradient-eluted from the column using methanol and water, however with 6.5 mM Ammonium Bicarbonate at pH 8. Method 4/Neg 2: The fourth aliquot is analyzed via negative ionization following elution from a HILIC column (Waters UPLC BEH Amide 2.1x150 mm, 1.7 um) using a gradient consisting of water and acetonitrile with 10 mM Ammonium Formate, pH 10.8.An online atlas of human plasma metabolite signatures of gut microbiome composition. 10.1038/s41467-022-33050-0. PMID:36151114Tove FallUppsala University, Department of Medical Sciences, Molecular Epidemiologyblood plasmamass spectrometrySamples are prepared using the automated MicroLab STAR® system from Hamilton Company. Several recovery standards are added prior to the first step in the extraction process for QC purposes. Samples are extracted with methanol under vigorous shaking for 2 min (Glen Mills GenoGrinder 2000) to precipitate protein and dissociate small molecules bound to protein or trapped in the precipitated protein matrix, followed by centrifugation to recover chemically diverse metabolites. The resulting extract is divided into five fractions: two for analysis by two separate reverse phase (RP)/UPLC-MS/MS methods using positive ion mode electrospray ionization (ESI), one for analysis by RP/UPLC-MS/MS using negative ion mode ESI, one for analysis by HILIC/UPLC-MS/MS using negative ion mode ESI, and one reserved for backup. Samples are placed briefly on a TurboVap® (Zymark) to remove the organic solvent and stored overnight under nitrogen. In preparation for analysis, samples are then reconstituted in solvents compatible to each of the four methods.Homo sapienshttps://www.ebi.ac.uk/metabolights/MTBLS407Sergi Sayols-Baixeras.Aron C Eklund.Tove Fall. Department of Medical Sciences, Molecular Epidemiology and Science for Life Laboratory, Uppsala University, EpiHubben, MTC-huset, Uppsala, Sweden. Dag Hammarskjölds väg 14B, Uppsala, Sweden. tove.fall@medsci.uu.se. +46-70-221 58 59.Diem Nguyen.Gabriel Baldanzi.Shafqat Ahmad.Marju Orho-Melander.Jacob Bak Holm.Yi-Ting Lin.Christoph Nowak.Johan Ärnlöv.Nynne Nielsen.Gunnar Engström.Georgios Varotsis.J Gustav Smith.Koen F Dekkers.Lars Lind.Johan Sundström.H Bjørn Nielsen.Filip Ottosson.Louise Brunkwall.Ulf Hammar.Raw data were extracted, peak-identified, and QC processed using Metabolon's hardware and software. These systems are built on a web-service platform utilizing Microsoft's .NET technologies, which run on high-performance application servers and fiber-channel storage arrays in clusters to provide active failover and load-balancing.tove.fall@medsci.uu.se<p>Venous blood samples from the participants were collected in EDTA tubes after an overnight fast and plasma was separated and stored in -80 °C until shipment to the service provider for measurement.</p>Metabolomicsultra-performance liquid chromatography-mass spectrometrymetabolontandem mass spectrometryuntargeted metabolitesbiomarkerhuman gut microbiomeultra-performance liquid chromatography-mass spectrometrymetabolontandem mass spectrometryuntargeted metabolitesbiomarkerhuman gut microbiomeA Thermo Scientific Q-Exactive high resolution/accurate mass spectrometer interfaced with a heated electrospray ionization (HESI-II) source and Orbitrap mass analyzer operated at 35,000 mass resolution was used. The MS analysis alternates between MS and data-dependent MSn scans using dynamic exclusion.hydroxycotinine2'-O-methylcytidinesalicylate4-hydroxyphenylpyruvateN-acetylthreonineglycerophosphoethanolamine1-palmitoyl-GPI (16:0)5alpha-androstan-3beta,17alpha-diol disulfate1-methylxanthineribonate2-hydroxyglutarateN-palmitoylglycinelosartanglutamatelanthioninecytidineibuprofenN-acetyltyrosinecortisol1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*pioglitazone2-oxoarginine*N-formylphenylalanine1-oleoyl-GPI (18:1)guaiacol sulfatebenzoateN-oleoyltaurinehydantoin-5-propionate3beta,7alpha-dihydroxy-5-cholestenoatesulfate*diazepamalpha-ketoglutaratetauroursodeoxycholate3-hydroxydecanoatetryptophan betaineasparaginebeta-citrylglutamateN2,N2-dimethylguanosinelyxonatetyramine O-sulfateornithinecreatininevenlafaxinedesmethylnaproxen4-hydroxyhippurate2,6-dihydroxybenzoic acid5-hydroxyhexanoate2-acetamidophenol sulfateallopurinol6-hydroxyindole sulfatenorfluoxetine4-hydroxycoumaringamma-glutamyl-2-aminobutyrate2-hydroxypalmitateN1-methyladenosineglucosecitratelamotriginephenylpyruvateS-methylcysteine sulfoxidemetformintaurocholateprolylglycine21-hydroxypregnenolone disulfatesphingomyelin (d18:2/18:1)*N6-succinyladenosineuratetaurochenodeoxycholateglycodeoxycholatepro-hydroxy-proguanidinoacetate1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*3-phosphoglycerateN-formylmethionineN6-carboxymethyllysinexanthosinelactatecorticosterone3-hydroxyoleoylcarnitinecysteine2-hydroxysebacatepipecolateN-acetyl sulfapyridine2-hydroxy-4-(methylthio)butanoic acidsphingosine3-methyladipatecetirizineargininecystathionineglipizideribitoletiocholanolone glucuronidedidesmethylcitalopram*picolinoylglycinevanillactateleucineclomipramineN-acetyl-isoputreanineethyl beta-glucopyranosidetaurolithocholate 3-sulfateS-methylcysteinehydroquinone sulfatepicolinategamma-glutamyltyrosineoxypurinolsitagliptinN-acetylmethioninemethioninemetronidazole1,7-dimethyluratemalonylcarnitine4-vinylphenol sulfate4-ethylphenylsulfate2-ketocaprylatethyroxinesolifenacinhydroxyasparagine**1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*2-methylserinemaleate1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*caffeinegamma-glutamylisoleucine*N4-acetylcytidinethymol sulfate3-ureidopropionateimidazole propionate4-cholesten-3-onearabitol/xylitolmannitol/sorbitol4-hydroxy-2-oxoglutaric acid2-hydroxycarbamazepine5-hydroxylysinequinate12,13-DiHOME1-palmitoyl-GPE (16:0)androsterone glucuronide3-hydroxyhexanoateritalinic acidN-acetylleucinemetoprololcarnitinebetaineN-desmethyl tramadolC-glycosyltryptophangluconateeugenol sulfateinosinesarcosineindole-3-carboxylatepiperineN-alpha-acetylornithine(R)-3-hydroxybutyrylcarnitine3-methoxytyrosinehippuratehypoxanthine3-methoxytyramine sulfateglycinephenylacetylglutamine1-methylhistidinegamma-carboxyglutamate1-hydroxy-2-naphthalenecarboxylatepregnenolone sulfatesertralineglycolithocholatetheophylline4-hydroxyphenylacetateglycerol 3-phosphatecystinegamma-glutamylalanine1,3,7-trimethyluratemethylsuccinate1,3-dimethylurate4-hydroxyphenylacetylglutaminesulfamethoxazolealpha-hydroxymetoprololtaurohyocholate*2-stearoyl-GPE (18:0)*3-hydroxycotinine glucuronide1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*retinal3-(cystein-S-yl)acetaminophen*morphine-3-glucuronideN6,N6-dimethyllysineN-acetyl-3-methylhistidine*3-hydroxyhippuratetrans-4-hydroxyproline2,3-dihydroxypyridinedesmethylnaproxen sulfate2-methoxyacetaminophen sulfate*N-desalkylquetiapine*carboxyethyl-GABA1-palmitoyl-2-stearoyl-GPC (16:0/18:0)N-(2-furoyl)glycineN,N-dimethylalanine3-hydroxydecanoylcarnitinevalsartan16a-hydroxy DHEA 3-sulfatemorphine-6-glucuronidepantothenate4-ethyl-2-methoxyphenol sulfatetryptophanisovalerylglycine2-hydroxybutyrate/2-hydroxyisobutyratecitramalate3-hydroxyisobutyrate1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*trimethylamine N-oxidearabonate/xylonate1-(1-enyl-stearoyl)-GPE (P-18:0)*6-oxopiperidine-2-carboxylateibuprofen acyl glucuronidehydroxyureaorotidinetrizma acetatelinoleoyl ethanolamidehistidinegalactonatecortisoneserineN-acetylglutamineN-acetylputrescinedoxylamineN-stearoylserine*5alpha-pregnan-3beta,20alpha-diol disulfatecysteinylglycinenicotinamiderivaroxaban2-aminoadipate3-hydroxyadipatepropionylglycineisobutyrylglycinenorcotininebendroflumethiazidepropyl 4-hydroxybenzoate sulfate1-methyluratearachidonoylcholine3-methyl-2-oxovalerate1-methyl-4-imidazoleacetateN-acetylcarnosinemontelukastbeta-hydroxyisovaleratedesmethylcitalopram*sphingosine 1-phosphateaspartateN-acetylglucosamine/N-acetylgalactosaminespermidinetemazepambeta-sitosterolalliinverapamil5,6-dihydrothyminetaurinetaurocholenate sulfate*acesulfame4-hydroxychlorothalonilgamma-glutamylleucinewarfarinN-palmitoylserineascorbic acid 3-sulfate*3-methylxanthineprolinebeta-cryptoxanthinvalproate4-acetamidophenolmalatehypotaurinegamma-glutamylglutamine4-guanidinobutanoatepalmitoyl sphingomyelin (d18:1/16:0)campesterolbeta-hydroxyisovaleroylcarnitinehexanoylglycinestachydrine2'-O-methyluridine2-piperidinone1-palmitoyl-2-oleoyl-GPC (16:0/18:1)lidocainepantoprazoleuridinepromethazinehydroxybupropionatenolol1-lignoceroyl-GPC (24:0)N2,N5-diacetylornithinemethyl-4-hydroxybenzoate sulfate2-methoxyresorcinol sulfatemannosetartaratepseudouridineglycohyocholate7-methylguaninecholic acid glucuronidethreonine9,10-DiHOMEstearidonate (18:4n3)thioprolinegamma-glutamylvalinebilirubin (Z,Z)oleoyl ethanolamide1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)saccharin4-hydroxy duloxetine glucuronide*5-acetylamino-6-amino-3-methyluraciloxazepampyridoxateerythronate*phosphoethanolamine3-indoxyl sulfatekynurenineguanidinosuccinatedeoxycarnitinedoxycycline4-acetylphenol sulfatemethyl indole-3-acetateleucylglycineserotoninN-acetylarginine4-oxo-retinoic acid8-methoxykynurenateN-methylhydroxyproline**furosemidecholesterol4-imidazoleacetatecarboxyibuprofentamoxifen1-linolenoyl-GPC (18:3)*N6-carbamoylthreonyladenosineranitidine2-ethylphenylsulfateorotate1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*N6-methyllysine3-hydroxypyridine sulfateglucuronatedeoxycholatesalicyluric glucuronide*methionine sulfoxidechiro-inositolisoursodeoxycholatezolpidemtrimethoprimcreatinexylosebehenoyl sphingomyelin (d18:1/22:0)*N4-acetylsulfamethoxazole*dihydroferulate1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)phenylacetateoleoylcholine1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)celecoxib2-butenoylglycinegamma-glutamylglutamatefexofenadine5-oxoproline1-linoleoyl-GPE (18:2)*arabinosedimethylglycinemorphinetigloylglycinevalproic acid glucuronide1-myristoyl-2-palmitoyl-GPC (14:0/16:0)cytosinep-cresol glucuronide*glycocholenate sulfate*quinolinatealanineL-urobilin2-aminophenol sulfate3beta-hydroxy-5-cholestenoateN1-methylinosine7-hydroxywarfarincys-gly, oxidized1-(1-enyl-palmitoyl)-GPE (P-16:0)*indolelactatetrans-urocanate2-naphthol sulfate1-palmitoyl-GPC (16:0)3-hydroxy-3-methylglutarateS-1-pyrroline-5-carboxylatenicotinamide riboside3-methylcytidineN-acetylneuraminate5,6-dihydrouridineprednisoloneparoxetine3-(3-amino-3-carboxypropyl)uridine*xanthine1-stearoyl-2-oleoyl-GPC (18:0/18:1)indolepropionate4-chlorobenzoic aciddopamine 3-O-sulfatephenol sulfate9-hydroxystearateo-cresol sulfatefumarate1-stearoyl-2-oleoyl-GPE (18:0/18:1)methionine sulfone3-hydroxystearateN-acetylalanineursodeoxycholateergothioneinealpha-tocopherolquetiapinesuccinimidecandesartanO-sulfo-L-tyrosineepiandrosterone sulfatehomocitrulline2-hydroxyacetaminophen sulfate*palmitoyl ethanolamideN-stearoyltaurineascorbic acid 2-sulfatepyrralineN-methyltaurine6-bromotryptophanfructosyllysine5alpha-androstan-3alpha,17beta-diol disulfatecholatethreonateenalaprilchenodeoxycholateargininate*N-acetylvalineglycerol3-methylhistidinelysinehyocholateallantoingentisateN6-methyladenosinegamma-glutamyltryptophantyrosinegamma-glutamylphenylalanine1-linoleoyl-GPC (18:2)2-aminobutyratealpha-hydroxyisovalerateN-acetylalliinvanillic alcohol sulfatecholine phosphatedeoxycholic acid glucuronide1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*gulonate*ginkgolic acid C15:1maltosesuccinate3-hydroxystachydrine*N-acetyltryptophanN-delta-acetylornithinesphinganine3-amino-2-piperidoneN-acetylglucosaminylasparaginemirtazapineN6-acetyllysine2-hydroxyoctanoatephenylalaninep-cresol sulfatephosphatefructoseN-acetyl-1-methylhistidine*pyruvatealpha-CEHC glucuronide*fluconazole3-(4-hydroxyphenyl)lactate1-arachidonoyl-GPI (20:4)*cysteine-glutathione disulfideuracilalpha-hydroxyisocaproate2-hydroxyibuprofenthymineethylmalonateO-acetylhomoserinecinnamoylglycine5alpha-androstan-3beta,17beta-diol disulfate1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*theobromine4-acetaminophen sulfatesphinganine-1-phosphatemannonate*O-desmethyltramadolcatechol sulfateisoleucinemyo-inositolranitidine N-oxide*homostachydrine*2-hydroxystearateacisogagamma-glutamylthreonine3-formylindoleN-acetylglycine4-acetamidobutanoateglycocholatetramadol1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)*N-acetylserineimidazole lactatecarbamazepinepregnanediol-3-glucuronideN,O-didesmethylvenlafaxine glucuronideN-acetylglutamatehomoarginineN-ethylglycinexylididecotinine N-oxidehydrochlorothiazide3-methyl-2-oxobutyratediclofenacdimethyl sulfoneumbelliferone sulfateformiminoglutamateglycochenodeoxycholate3-hydroxyquinine17alpha-hydroxypregnenolone 3-sulfate3-aminoisobutyrategamma-glutamylmethioninechlorzoxazoneglycochenodeoxycholate 3-sulfate3,7-dimethylurateglutamineindomethacinnaproxencholineparaxanthinefluoxetine4-allylphenol sulfate4-hydroxyglutamate1-linoleoyl-GPI (18:2)*3-(3-hydroxyphenyl)propionatecitraconate/glutaconate1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*alpha-ketoglutaramate*gamma-glutamylhistidineethyl glucuronidekynurenate2,3-dihydroxyisovalerate3-hydroxysebacatehemeEDTAO-desmethylvenlafaxine2-hydroxyphenylacetateferulic acid 4-sulfatebeta-alanineN-acetyltaurinegabapentinindoleacetylglutamine1-methylnicotinamideduloxetinearipiprazolepregabalinlithocholic acid sulfate (2)glyceratelamivudineindoleacetate2-aminoheptanoate1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*citalopram N-oxide*dihydroorotatelinoleoylcholine*3-hydroxymyristateO-desmethyltramadol glucuronide3-hydroxy-2-ethylpropionate2-hydroxylaurateindolin-2-one1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*isoeugenol sulfate4-vinylguaiacol sulfatetopiramateN-acetylcitrulline2-methoxyacetaminophen glucuronide*N-formylanthranilic acid1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)taurodeoxycholatecaffeic acid sulfateN-acetylphenylalanineN1-Methyl-2-pyridone-5-carboxamidexanthurenatepantoate3-hydroxyoctanoate3-(N-acetyl-L-cystein-S-yl) acetaminophenquinine4-methyl-2-oxopentanoate3-hydroxydodecanedioate*theaninebiliverdin2-aminooctanoatecitrullineglycoursodeoxycholategamma-CEHComeprazolephenol glucuronideandrosterone sulfatecysteine s-sulfate3-hydroxylauratecotinineriboflavin (Vitamin B2)5-(galactosylhydroxy)-L-lysinecarbamazepine 10,11-epoxide*7-methylxanthinecholesterol sulfateN-acetylasparagineurea2'-deoxyuridineS-allylcysteinepalmitoyl dihydrosphingomyelin (d18:0/16:0)*2-hydroxy-3-methylvaleratesolanidine3b-hydroxy-5-cholenoic acid1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*isoleucylglycine16-hydroxypalmitate5-acetylamino-6-formylamino-3-methyluracilglycolithocholate sulfate*N-oleoylserineN-acetylhistidineacetoacetatecarnosineN-methylprolinepalmitoylcholine1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)valineectoinealpha-ketobutyrateglycyrrhetinate2-hydroxydecanoatedocosadienoate (22:2n6)erythritolN-acetyl-beta-alanineHuman gut microbiota produce a variety of molecules, some of which enter the bloodstream and impact health. Conversely, dietary or pharmacological compounds may affect the microbiota before entering the circulation. Characterization of these interactions is an important step towards understanding the effects of the gut microbiota on health. In this cross-sectional study, we used deep metagenomic sequencing and ultra-high-performance liquid chromatography linked to mass spectrometry for a detailed characterization of the gut microbiota and plasma metabolome, respectively, of 8583 participants invited at age 50 to 64 from the population-based Swedish CArdioPulmonary bioImage Study. Here, we find that the gut microbiota explain up to 58% of the variance of individual plasma metabolites and we present 997 associations between alpha diversity and plasma metabolites and 546,819 associations between specific gut metagenomic species and plasma metabolites in an online atlas ( https://gutsyatlas.serve.scilifelab.se/ ). We exemplify the potential of this resource by presenting novel associations between dietary factors and oral medication with the gut microbiome, and microbial species strongly associated with the uremic toxin p-cresol sulfate. This resource can be used as the basis for targeted studies of perturbation of specific metabolites and for identification of candidate plasma biomarkers of gut microbiota composition.An online atlas of human plasma metabolite signatures of gut microbiome composition.Dekkers Koen F KF, Sayols-Baixeras Sergi S, Baldanzi Gabriel G, Nowak Christoph C, Hammar Ulf U, Nguyen Diem D, Varotsis Georgios G, Brunkwall Louise L, Nielsen Nynne N, Eklund Aron C AC, Bak Holm Jacob J, Nielsen H Bjørn HB, Ottosson Filip F, Lin Yi-Ting YT, Ahmad Shafqat S, Lind Lars L, Sundström Johan J, Engström Gunnar G, Smith J Gustav JG, Ärnlöv Johan J, Orho-Melander Marju M, Fall Tove Tsodium salt, Biological Markers, Viral Marker, Bowel, BamF, Surrogate Endpoints, BamC, AP-2, Laboratory, para-cresol, Blood, alpha-Spe, Biochemical, Endpoint, Profiles, neutral molecular compounds, Serum, CG31654, alpha-Spc, Xrel2, School-Age, Readability, l(3)04276, Laboratory Markers, primary metabolites, 4-cresol, C-Rel, Biological, Associations, GRP1, Grp1, High Performance Liquid Chromatography, alpha-adaptin, Analysis, DmelCG10422, molecule, alpha-spec, molecula, Metabolic Profiles, imprinted and ancient gene protein, Mass Spectrum Analysis, average, Fresh Frozen Plasmas, Fresh Frozen, molecules, [SO4](2-), CG4260, Analyses, Moods, SULFATE ION, C1, PTPSTEP, Microbial Community Structure, alimentary tract, Molekuel, v-rel, ird, alpha-spectrin, HPLC, Immune, g, High-Performance, Markers, l(2)k08110, Viral Markers, Chromatography, Microbial Community Structures, High-Performance Liquid, asd, High Speed Liquid, adult alimentary canal, alimentary system, rel-A, REL, plasma, Inorganic, GPH, sulfate, Frozen Plasma, Sulfate dianion, Viral, l(3)neo36, Surrogate Endpoint, Liquid Chromatography, ham, Biochemical Markers, Normalcy, rel, Microbial, Plasmas, Biologic Marker, Spectrum Analysis, ada, Spectroscopy, Inorganic Sulfates, alphaSpec, D-Ada, tetraoxosulfate(2-), Marker, School Age, RENBP, 3.1.3.48, cg4260, dAP-2a, Sulfate anion(2-), Individual, spectrin, Microbial Communities, l(2)06694, MENE (2L)-A, Populations, AI747421, human gut microbiota, End Points, Microbial Community Compositions, Step, CG11628, Sulfates, Spectrometry, Striatum-enriched protein-tyrosine phosphatase, RELI, alpha, Immunologic, AP-2alpha, Laboratory Marker, DmelCG4260, AGE, Atlases, Composition, Health, STEP, gastrointestinal system, Biochemical Marker, metabolites, Liquid, School-Age Population, E430016J11Rik, Human Microbiomes, Community, Fresh, Microbial Community Composition, digestive canal, alpha-Ada, anon-EST:fe2E2, GRP1/cytohesin 1, l(3)alpha-Spec, ird4, Fresh Frozen Plasma, NF-kappaB, Clinical Markers, Clinical Marker, relish, alpha-Spect, aluminum salt, secondary metabolites, Spectrum Analyses, xrel, Ximpact, Normalcies, l(2)SH2 0460, SO4(2-), Human, fs(3)neo61, Surrogate End Points, CG11633, cytohesin/GRP1, CG10422, Surrogate Markers, Gus, alpha-ada, Gur, potassium salt, Gut, klo, Mass, Mood, alpha-Sp, tetraoxosulfate(VI), CG1977, Metabolic Profile, Mass Spectroscopy, CG11992, Normalities, study, School-Age Populations, Biomarker, Blood Plasma, gut, Clinical, Metabolomes, Profile, Biological Marker, l(2)SH2 0323, dre3, Population, Alpha-Adaptin, High-Performance Liquid Chromatographies, Immunologic Markers, Neural-specific protein-tyrosine phosphatase, Blood Plasmas, Ultra Performance Liquid Chromatography, UPLC, species, School Age Population, Immunologic Marker, intestines, Biologic, Human Microbiome, l(3)dre3, High-Performance Liquid Chromatography, Individual Health, Microbiome., Community Composition, alpha-Spectrin, c-Rel, 4-methylphenol, 3A9, RnBP, DmelCG1977, Affects, Serum Markers, GlcNAc 2-epimerase, End Point, stepk, p-cresol, sulphate, Rel-p110, impact-a, Immune Marker, Frozen Plasmas, Sulfate(2-), gut tube, N-acetyl-D-glucosamine 2-epimerase, MS, c-rel, Surrogate End Point, imprinted and ancient gene protein homolog, IMPACT, MENE(2L)-A, alphaSp, l(2)SH0323, Mass Spectrum Analyses, NFkappaB, Microbiome, Biologic Markers, CYH1, Plasma, Mass Spectrum, Serum Marker, Microbiomes, D-alphaAda, DmelCG11992, tetraoxidosulfate(2-), mating_type_alpha, Metabolic, Normality, Microbial Community, Surrogate, Endpoints, Community Structure, Gus-u, 2-D projection, FCP-B, Gus-t, metabolite, Gus-s, portion of plasma, Gus-r, Understanding, School Age Populations, Sulfuric acid ion(2-), Surrogate Marker, DmelCG11628, AP2, High Pressure, cross-sectional, l(3)62Bd, Bam-C, BAM, Bam, alpha mating type (yeast), l(2)SH0460, renin-binding protein, Microbiotas, alfa-Spec, High Performance Liquid, Rel/NF-kappaB, Sulfate, RWDD5, Spec, sulphate ion, Immune MarkersPlasma, Fresh, Fresh Frozen Plasmas, Fresh Frozen, digestive canal, Blood Plasma, AI747421, Frozen Plasma, human being, Bowel, gut, Man (Taxonomy), Fresh Frozen Plasma, C1, Blood, Modern, Gus-u, alimentary tract, secondary metabolites, metabolite, Gus-t, portion of plasma, Gus-s, Gus-r, Plasmas, human, Atlases, Human, Frozen Plasmas, gut tube, Gus, primary metabolites, Gur, Gut, g, Homo sapiens, gastrointestinal system, intestines., Modern Man, Blood Plasmas, metabolites, asd, adult alimentary canal, alimentary system, Man, plasmasodium salt, Biological Markers, Viral Marker, Bowel, BamF, Surrogate Endpoints, BamC, AP-2, Laboratory, para-cresol, Blood, alpha-Spe, Biochemical, Endpoint, Profiles, neutral molecular compounds, Serum, CG31654, alpha-Spc, School-Age, Readability, l(3)04276, Laboratory Markers, primary metabolites, 4-cresol, Biological, Associations, GRP1, Grp1, High Performance Liquid Chromatography, alpha-adaptin, Analysis, DmelCG10422, molecule, alpha-spec, molecula, Metabolic Profiles, imprinted and ancient gene protein, Mass Spectrum Analysis, average, Fresh Frozen Plasmas, Fresh Frozen, molecules, [SO4](2-), CG4260, Analyses, Moods, SULFATE ION, C1, PTPSTEP, Microbial Community Structure, alimentary tract, Molekuel, alpha-spectrin, HPLC, Immune, g, High-Performance, Markers, l(2)k08110, Viral Markers, Chromatography, Microbial Community Structures, High-Performance Liquid, asd, High Speed Liquid, adult alimentary canal, alimentary system, plasma, Inorganic, GPH, sulfate, Frozen Plasma, Sulfate dianion, Viral, Surrogate Endpoint, Liquid Chromatography, ham, Biochemical Markers, Normalcy, Microbial, Plasmas, Biologic Marker, Spectrum Analysis, ada, Spectroscopy, Inorganic Sulfates, alphaSpec, D-Ada, tetraoxosulfate(2-), Marker, School Age, RENBP, 3.1.3.48, cg4260, dAP-2a, Sulfate anion(2-), Individual, spectrin, Microbial Communities, l(2)06694, MENE (2L)-A, Populations, AI747421, human gut microbiota, End Points, Microbial Community Compositions, Step, CG11628, Sulfates, Spectrometry, Striatum-enriched protein-tyrosine phosphatase, alpha, Immunologic, AP-2alpha, Laboratory Marker, DmelCG4260, AGE, Atlases, Composition, Health, STEP, gastrointestinal system, Biochemical Marker, metabolites, Liquid, School-Age Population, E430016J11Rik, Human Microbiomes, Community, Fresh, Microbial Community Composition, digestive canal, alpha-Ada, anon-EST:fe2E2, GRP1/cytohesin 1, l(3)alpha-Spec, Fresh Frozen Plasma, Clinical Markers, Clinical Marker, alpha-Spect, aluminum salt, secondary metabolites, Spectrum Analyses, Ximpact, Normalcies, l(2)SH2 0460, SO4(2-), Human, fs(3)neo61, Surrogate End Points, CG11633, cytohesin/GRP1, CG10422, Surrogate Markers, Gus, alpha-ada, Gur, potassium salt, Gut, klo, Mass, Mood, alpha-Sp, tetraoxosulfate(VI), CG1977, Metabolic Profile, Mass Spectroscopy, Normalities, study, School-Age Populations, Biomarker, Blood Plasma, gut, Clinical, Metabolomes, Profile, Biological Marker, l(2)SH2 0323, dre3, Population, Alpha-Adaptin, High-Performance Liquid Chromatographies, Immunologic Markers, Neural-specific protein-tyrosine phosphatase, Blood Plasmas, Ultra Performance Liquid Chromatography, UPLC, species, School Age Population, Immunologic Marker, intestines, Biologic, Human Microbiome, l(3)dre3, High-Performance Liquid Chromatography, Individual Health, Microbiome., Community Composition, alpha-Spectrin, 4-methylphenol, 3A9, RnBP, DmelCG1977, Affects, Serum Markers, GlcNAc 2-epimerase, End Point, stepk, p-cresol, sulphate, impact-a, Immune Marker, Frozen Plasmas, Sulfate(2-), gut tube, N-acetyl-D-glucosamine 2-epimerase, MS, Surrogate End Point, imprinted and ancient gene protein homolog, IMPACT, MENE(2L)-A, alphaSp, l(2)SH0323, Mass Spectrum Analyses, Microbiome, Biologic Markers, CYH1, Plasma, Mass Spectrum, Serum Marker, Microbiomes, D-alphaAda, tetraoxidosulfate(2-), mating_type_alpha, Metabolic, Normality, Microbial Community, Surrogate, Endpoints, Community Structure, Gus-u, 2-D projection, FCP-B, Gus-t, metabolite, Gus-s, portion of plasma, Gus-r, Understanding, School Age Populations, Sulfuric acid ion(2-), Surrogate Marker, DmelCG11628, AP2, High Pressure, cross-sectional, l(3)62Bd, Bam-C, BAM, Bam, alpha mating type (yeast), l(2)SH0460, renin-binding protein, Microbiotas, alfa-Spec, High Performance Liquid, Sulfate, RWDD5, Spec, sulphate ion, Immune MarkersPlasma, Fresh, Fresh Frozen Plasmas, Fresh Frozen, digestive canal, Blood Plasma, AI747421, Frozen Plasma, human being, Bowel, gut, Man (Taxonomy), Fresh Frozen Plasma, C1, Blood, Modern, Gus-u, alimentary tract, secondary metabolites, metabolite, Gus-t, portion of plasma, Gus-s, Gus-r, Plasmas, human, Atlases, Human, Frozen Plasmas, gut tube, Gus, primary metabolites, Gur, Gut, g, Homo sapiens, gastrointestinal system, intestines., Modern Man, Blood Plasmas, metabolites, asd, adult alimentary canal, alimentary system, Man, plasmafalseAn online atlas of human plasma metabolite signatures of gut microbiome composition<p>Human gut microbiota produce a variety of molecules, some of which enter the bloodstream and impact health. Conversely, dietary or pharmacological compounds may affect the microbiota before entering the circulation. Characterization of these interactions is an important step towards understanding the effects of the gut microbiota on health. In this cross-sectional study, we used deep metagenomic sequencing and ultra-high-performance liquid chromatography linked to mass spectrometry for a detailed characterization of the gut microbiota and plasma metabolome, respectively, of 8583 participants invited at age 50 to 64 from the population-based Swedish CArdioPulmonary bioImage Study. Here, we find that the gut microbiota explain up to 58% of the variance of individual plasma metabolites and we present 997 associations between alpha diversity and plasma metabolites and 546,819 associations between specific gut metagenomic species and plasma metabolites in an online atlas (<a href='https://gutsyatlas.serve.scilifelab.se/' rel='noopener noreferrer' target='_blank'>https://gutsyatlas.serve.scilifelab.se/</a>). We exemplify the potential of this resource by presenting novel associations between dietary factors and oral medication with the gut microbiome, and microbial species strongly associated with the uremic toxin p-cresol sulfate. This resource can be used as the basis for targeted studies of perturbation of specific metabolites and for identification of candidate plasma biomarkers of gut microbiota composition.</p>2022-05-192019-01-11MTBLS407MTBLC371MTBLC16610MTBLC16797MTBLC72665MTBLC30915MTBLC18344MTBLC18064MTBLC16831MTBLC17050MTBLC16359MTBLC18101MTBLC27468MTBLC17368MTBLC72663MTBLC16675MTBLC17768MTBLC16552MTBLC21891MTBLC29016MTBLC22660MTBLC28478MTBLC17385MTBLC26008MTBLC16958MTBLC15727MTBLC17033MTBLC26806MTBLC16113MTBLC18132MTBLC16827MTBLC16962MTBLC16737MTBLC4047MTBLC17376MTBLC16393MTBLC28834MTBLC17755MTBLC16566MTBLC18012MTBLC73705MTBLC24266MTBLC15428MTBLC17687MTBLC16344MTBLC27570MTBLC17650MTBLC16668MTBLC17596MTBLC17268MTBLC24898MTBLC37024MTBLC18211MTBLC25017MTBLC25094MTBLC6650MTBLC16811MTBLC17154MTBLC18257MTBLC16742MTBLC28044MTBLC26078MTBLC26271MTBLC78320MTBLC17015MTBLC16914MTBLC17822MTBLC28790MTBLC15891MTBLC16199MTBLC16704MTBLC16450MTBLC30817MTBLC18237MTBLC28300MTBLC26986MTBLC27897MTBLC27266MTBLC17234MTBLC30831MTBLC17750MTBLC15356MTBLC37684MTBLC17724MTBLC16449MTBLC18186MTBLC17802MTBLC32816MTBLC17568MTBLC18222MTBLC17562MTBLC22599MTBLC68641MTBLC27732MTBLC28757MTBLC16040MTBLC17821MTBLC17306MTBLC22653MTBLC30865MTBLC18095MTBLC15676MTBLC15318MTBLC16010MTBLC28747MTBLC15611MTBLC7916MTBLC17964MTBLC36711MTBLC33508MTBLC18261MTBLC166830MTBLC21557MTBLC169985MTBLC16990MTBLC30660MTBLC82969MTBLC72782MTBLC22470MTBLC40992MTBLC17645MTBLC27389MTBLC16755MTBLC30769MTBLC35621MTBLC17775MTBLC9907MTBLC71466MTBLC73707MTBLC15999MTBLC73018MTBLC17012MTBLC17261MTBLC15344MTBLC16919MTBLC133046MTBLC133032MTBLC19660MTBLC16020MTBLC17754MTBLC15354MTBLC30754MTBLC68433MTBLC172453MTBLC5118MTBLC46195MTBLC7476MTBLC37084MTBLC5855MTBLC71464MTBLC73002MTBLC73001MTBLC36274MTBLC16525MTBLC28865MTBLC9410MTBLC6904MTBLC133435MTBLC32635MTBLC91315MTBLC741548MTBLC17126MTBLC30746MTBLC30745MTBLC132966MTBLC10072MTBLC35932MTBLC49033MTBLC70959MTBLC60175MTBLC44185MTBLC15728MTBLC24298MTBLC15978MTBLC27487MTBLC28683MTBLC17533MTBLC16543MTBLC48929MTBLC18107MTBLC15963MTBLC27471MTBLC28177MTBLC17521MTBLC28946MTBLC17189MTBLC25858MTBLC24813MTBLC43355MTBLC82966MTBLC48430MTBLC83481MTBLC37550MTBLC75062MTBLC59783MTBLC18300MTBLC133226MTBLC86543MTBLC37098MTBLC39867MTBLC58128MTBLC27891MTBLC17113MTBLC66869MTBLC131454MTBLC32111MTBLC85148MTBLC17303MTBLC16530MTBLC27747MTBLC58148MTBLC7823MTBLC132983MTBLC15584MTBLC42191MTBLC40410MTBLC33527MTBLC26984MTBLC24149MTBLC27693MTBLC16411MTBLC70958MTBLC37998MTBLC83037MTBLC43580MTBLC82912MTBLC68561MTBLC68447MTBLC62205MTBLC36206MTBLC132948MTBLC68848MTBLC7671MTBLC89182MTBLC131434MTBLC89836MTBLC89963MTBLC133733MTBLC82956MTBLC145970MTBLC16974MTBLC1606MTBLC17072MTBLC32389MTBLC73685MTBLC70976MTBLC21626MTBLC138368MTBLC72998MTBLC40521MTBLC28821MTBLC28623MTBLC45826MTBLC81244MTBLC83040MTBLC86910MTBLC133028MTBLC35280MTBLC60645MTBLC166487MTBLC15927MTBLC82965MTBLC82968MTBLC82914MTBLC37654MTBLC133026MTBLC165873MTBLC30413MTBLC28733MTBLC48991MTBLC691622MTBLC68531MTBLC68449MTBLC68441MTBLC32643MTBLC80473MTBLC68443MTBLC19065MTBLC19289MTBLC70989MTBLC21440MTBLC25722MTBLC8087MTBLC71018MTBLC23774MTBLC19928MTBLC143243MTBLC70984MTBLC145961MTBLC2274MTBLC20129MTBLC27410MTBLC68434MTBLC133092MTBLC27905MTBLC73028MTBLC64390MTBLC6456MTBLC222828MTBLC89228MTBLC5757MTBLC73004MTBLC83058MTBLC49006MTBLC65101MTBLC24462MTBLC70979MTBLC73027MTBLC71062MTBLC68505MTBLC81015MTBLC36314MTBLC1427MTBLC27592MTBLC83053MTBLC73218MTBLC9347MTBLC17864MTBLC16244MTBLC183825MTBLC7735MTBLC176458MTBLC17752MTBLC17924MTBLC5832MTBLC82931MTBLC82932MTBLC82911MTBLC68503MTBLC604731MTBLC53014MTBLC82753MTBLC133077MTBLC133474MTBLC133459MTBLC82942MTBLC82944MTBLC133005MTBLC133066MTBLC133089MTBLC178081MTBLC50621MTBLC45441MTBLC75038MTBLC23098MTBLC133096MTBLC74965MTBLC73008MTBLC16893MTBLC3387MTBLC3655MTBLC90344MTBLC10362MTBLC133115MTBLC133119MTBLC166730MTBLC166739MTBLC133698MTBLC133101MTBLC133112MTBLC40070MTBLC17084MTBLC89379MTBLC16682MTBLC78646MTBLC70824MTBLC87774MTBLC89454MTBLC35420MTBLC4828MTBLC24809MTBLC133183MTBLC16175MTBLC68616MTBLC3388MTBLC36108MTBLC30882MTBLC6801MTBLC88735MTBLC17685MTBLC15689MTBLC37564MTBLC43419MTBLC28315MTBLC7274MTBLC28297MTBLC26836MTBLC30923MTBLC32812MTBLC29023MTBLC18697MTBLC61936MTBLC89406MTBLC71182MTBLC89087MTBLC7772MTBLC2904MTBLC5778MTBLC8776MTBLC45658MTBLC28832MTBLC28374MTBLC28116MTBLC9123MTBLC41423MTBLC42797MTBLC9943MTBLC7915MTBLC8707MTBLC80656MTBLC87248MTBLC30853MTBLC86260MTBLC89929MTBLC80774MTBLC137271MTBLC55328MTBLC15854MTBLC133139MTBLC133141MTBLC50845MTBLC188432MTBLC146206MTBLC74066MTBLC74534MTBLC132479MTBLC138529MTBLC77065MTBLC15724MTBLC64349MTBLC86612MTBLC73087MTBLC47780MTBLC7936MTBLC36796MTBLC51137MTBLC6950MTBLC88765MTBLC2596MTBLC61695MTBLC39540MTBLC21054MTBLC9307MTBLC180876MTBLC25013MTBLC133144MTBLC84842MTBLC51380MTBLC101278MTBLC5050MTBLC9948MTBLC67249MTBLC176462MTBLC133176MTBLC52022MTBLC15035MTBLC133172MTBLC133197MTBLC133199MTBLC83527MTBLC10125MTBLC10033MTBLC89234MTBLC133460MTBLC75145MTBLC47426MTBLC9349MTBLC5551MTBLC77761MTBLC133181MTBLC31697MTBLC133186MTBLC89205MTBLC133206MTBLC87998MTBLC74077MTBLC40279MTBLC44673MTBLC133185MTBLC133223MTBLC36575MTBLC133217MTBLC133708MTBLC132188MTBLC133456MTBLC133430MTBLC24109MTBLC46215MTBLC133512MTBLC133504MTBLC84415MTBLC136638MTBLC149475MTBLC1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