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TM250146890-1A.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15195/FILES/DERIVED_FILES/POS/HFX1_CP9_FZTM250146887-1A.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15195/FILES/DERIVED_FILES/NEG/HFX1_CN1_FZTM250146858-1A.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15195/FILES/DERIVED_FILES/NEG/HFX1_CN5_FZTM250146873-1A.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15195/FILES/DERIVED_FILES/POS/HFX1_CP9_FZTM250146881-1A.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15195/FILES/DERIVED_FILES/NEG/HFX1_CN5_FZTM250146876-1A.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15195/FILES/DERIVED_FILES/NEG/HFX1_CN5_FZTM250146870-1A.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15195/FILES/DERIVED_FILES/POS/HFX1_3217636_CP_QC3.mzXMLprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15195<p>Metabolite features were identified by matching accurate mass, retention time, adduct information, and MS/MS spectra against the NovoMetDB in-house spectral database using a mass tolerance of 10 ppm. Identified metabolites were further annotated using the KEGG, HMDB, and LIPID MAPS databases.</p>MetaboLightsPublicLiquid Chromatography MS - negative - reversed-phase-c18Liquid Chromatography MS - positive - reversed-phase-c18<p>Chromatographic separation was performed using a Thermo Scientific Vanquish UHPLC system equipped with a Hypersil Gold C18 column (100 × 2.1 mm, 1.9 μm). The column temperature was maintained at 40°C and the flow rate was 0.2 mL/min. Mobile phase A was 0.1% formic acid in water, and mobile phase B was methanol. The gradient was: 0–1.5 min, 2% B; 1.5–3 min, 2–85% B; 3–10 min, 85–100% B; 10–10.1 min, 100–2% B; and 10.1–12 min, 2% B.</p>Personalized evaluation of cancer therapy responses in organoid chips with a reconstructed TME and in situ secreted-factor detection.Shandong UniversityLin HanstomachSolventmass spectrometry assay<p>One milliliter of each culture supernatant sample was lyophilized and reconstituted in 100 μL of 80% methanol in water. The samples were vortexed, incubated on ice for 5 min, and centrifuged at 15,000 × g for 15 min at 4°C. The supernatant was diluted with LC-MS-grade water to a final methanol concentration of 53%, followed by centrifugation at 15,000 × g for 15 min at 4°C. The resulting supernatant was collected for LC-MS analysis.</p>blankHomo sapienshttps://www.ebi.ac.uk/metabolights/MTBLS15195Lin Han. Shandong University. hanlin@email.sdu.edu.cn.<p>Instrument data files were converted to mzXML format using ProteoWizard. Peak detection, peak quantification, retention-time alignment, and feature alignment across samples were performed using XCMS. Blank samples were used to remove background features. Peak areas were normalized relative to the total metabolite abundance of QC1, and features with a coefficient of variation greater than 30% in QC samples were excluded.</p>TreatmentCulture conditionhanlin@email.sdu.edu.cn<p>Culture supernatant samples were collected from patient-derived cancer organoid cultures following the indicated treatment conditions. Samples were immediately frozen and stored at −80°C until metabolomics analysis. Pooled quality-control samples were prepared by mixing equal volumes from all experimental samples. A blank sample was prepared to monitor and remove background ions.</p>Metabolomicspooled quality control sampleMetabolomicsuntargeted metabolomicsblankuntargeted analysisliquid chromatography-mass spectrometrysolvent blankHomo sapiensstomachtumor organoidexperimental sampleThermo Scientific Vanquish UHPLC SystemThermo Scientific Q Exactive HF-X Hybrid Quadrupole-Orbitrap Mass Spectrometerorganoid-on-chipSolventpooled quality control sampleMetabolomicsuntargeted metabolomicsblankuntargeted analysisliquid chromatography-mass spectrometrysolvent blankHomo sapiensstomachtumor organoidexperimental sampleThermo Scientific Vanquish UHPLC SystemThermo Scientific Q Exactive HF-X Hybrid Quadrupole-Orbitrap Mass Spectrometerorganoid-on-chipSolvent<p>Mass spectrometry data were acquired using a Thermo Scientific Q Exactive HF-X Hybrid Quadrupole-Orbitrap mass spectrometer equipped with an electrospray ionization source. Data were acquired separately in positive and negative ion modes over an m/z range of 100–1500. The spray voltage was 3.5 kV, sheath gas flow rate was 35 psi, auxiliary gas flow rate was 10 L/min, capillary temperature was 320°C, S-lens RF level was 60, and auxiliary gas heater temperature was 350°C. Data-dependent MS/MS acquisition was used.</p>Tryptanthrin7-hydroxy-2-methyl-3-phenyl-4H-chromen-4-one6-Aminopyridine-3-carboxamideProstaglandin G23-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-olGuineensinePC(2:0/5-iso PGF2VI)2-Ethyl-3,5(6)-dimethylpyrazine1-naphthalenecarboxylic acidMonolaurinAlantolactone6-chloro-5,7-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]-2H-chromen-2-oneEctoineKinetinNiazirin6-Methylpteridine-2,4-diamineMethyl geranate3,6-dimethoxyphenanthreneProlyl-AsparagineIminodiacetic acidAsparagusic acid syn-S-oxidecis-5,8,11,14,17-Eicosapentaenoic acid2,6-dichloro-N-(2-oxo-2H-chromen-6-yl)pyridine-3-carboxamidehydantoin-5-propionateEuropinecis-7,10,13,16-Docosic acidtraenoic acid4-Hydroxybenzaldehyde5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthreneN-Benzoyl-L-glutamic acid2-Ethylhexyl diphenyl phosphateGlucuronic acid sulfateMethylglutaric acidNorgestimateProstaglandin E1Hydroxyprolyl-Isoleucine3-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one4-Amino-5-methyl-2(1H)-pyrimidinone(10Z)-Nonadec-10-enoylcarnitine2-Hydroxymethyl benzoic acidIsomagnolone6-O-Methyl GuanosineL-Theanine7-Hydroxyheptanoic acidN1-methyladenosinetulipalin BLysoPC(14:0/0:0)Porphyrin2-(3,5-Dihydroxyphenyl)ethanol sulfateArginylglycineethyl 3-hydroxyhexanoate2-Diethylaminoethanol3-Hydroxydodecanedioic acid10-NitrooleateS-(2-Methylbutanoyl)-dihydrolipoamide8-MercaptoquinolineVindoline6alpha-Methyl-11beta-hydroxyprogesteroneMethionyl-ProlineSULFAMETHOXYPYRIDAZINE4-Ethyl-2-heptylthiazole(S)-2-(Methylamino)-3-phenylpropanoic acidXanthurenic acidMetaproterenolImidazotetrazineDiphenyl phosphateSpiculisporic Acid2-FormaminobenzoylacetateNeosaxitoxinValerophenoneOctaethylene glycolDi-n-heptyl phthalateDDAO3-methylglutaconate3-Methyl-5-pentyl-2-furanpentadecanoic acidLysoPC(22:0/0:0)N-tetradecanoyl-L-Homoserine lactone2-Phenylglycine3-MethyladenineBatilolCarboxyethylphosphoramide3,3-Dimethyl-2-butanolN-carbamoylglycinegamma-Glu-IleIndoleN-(5-Aminopentyl)acetamide6-Hydroxykynurenic acidN-(1-Deoxy-1-fructosyl)valineClorgylineLysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)Penicilloic acidL-CarnitineLeupeptin3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-oneJasmolone glucosideD-LysopineAdenosineL-Thyroxinehistidylalanine2,4,5-Trihydroxytoluene5-Methyl-2-phenyl-2-hexenal9-OxoODETetrahydrolachnophyllum lactoneMethyl [6]-paradolProstaglandin B1IndolepyruvateCutamesineEstrone 3-sulfateLinoleic acidMenthofuran1-(3-Methylbenzoyl)-1H-indazole-3-carbonitrilePrecocene IIFructosyl-lysineDiethyl fumarate3-Hydroxybutyric acidS-(p-Azidophenacyl)glutathioneL-PhenylalanineN-Butyryl-L-homoserine lactoneQuinolinic AcidN-Acetyl-D-galactosamineTETRAMISOLE9-Methyl AdenineN-[5-(1-naphthylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide(2E)-4-Hydroxy-3-methylpent-2-enedioylcarnitineDihydroartemisinic acidN6-formyllysineMesaconineArginylphenylalaninegamma-GlutamylleucineN-UndecanoylglycineAvobenzone3-Mercaptohexyl hexanoateCholan-24-oic acid,3,12-dioxo-, (5b)-alpha-glutamylglycineLinoleoylcarnitine3-dehydrocholic acidBoc-L-cysteineS-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate1-Heptadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine Solution in IsopropanolPURPUROGALLINMethyl octanoate9-hydroxy-10,12-octadecadienoic acidBufotalin13,14-Dihydro-15-keto-20-ethyl prostaglandin f2alpha3-Hydroxydodec-8-enedioylcarnitine3-OxobutanoylcarnitineEthyl linoleate2,5-Furandimethanol6-Bromoindole-3-carboxylic acid(E/Z)-Ginkgolic acid C17:2D-Erythro-dihydrosphingosine4-Methylumbelliferyl phosphate(9Z,11E,13S)-13-Hydroperoxyoctadeca-9,11-dienoylcarnitine3-Methylindolin-2-oneEthyl 3-(methylthio)butanoateC16 Sphinganine3-Mercapto-2-methylpentanal1-(2-Thienyl)-1-heptanone2-Aminoheptanedioic acidN-Acetylarylamine1-Eicosanoyl-sn-glycero-3-phosphocholineL-HexanoylcarnitineHydroxycotinine15-methylnonadecanoylcarnitineDiphenylphosphine oxide5-Hydroxymethyl-2'-deoxyuridineFukiic acid8-Azabicyclo(3.2.1)octaneasprellol APipecolic acidFenoldopam2'-DeoxyuridineIndole-3-carboxaldehydeN,N'-dibenzhydrylethane-1,2-diamine2-Ethyl-2,5-dihydro-4,5-dimethylthiazole10-(Phosphonooxy)decyl methacrylateCarnitineHydroquinone5-(Ethylthio)-1H-tetrazoleMisonidazole7,8-BenzoflavoneIsoproturon-monodemethylDioctylamineIsopropyl ferulateSuccinyl AdenosineDibenzo-p-dioxinDiisooctyl phthalatePC(20:3(8Z,11Z,14Z)/18:1(9Z)-O(12,13))D-alpha-TocopherylquinoneO-DesmethylangolensinMethyl linoleateGramineThymineZierinOfloxacinHydroxyprolyl-Asparagine5-Methylangelicin2,3-Dimethyl-5-propylpyrazinePseudobufarenoginSinomenine5-Mercapto-1-methyltetrazoleProsopinineMethyl arachidonate2-Aminosulfonyl-benzoic acid methyl esterMammea A/ABLicochalcone Aalpha-glutamylglutamate6-Thioguaninep-Chlorobenzene sulfonyl ureaPirbuterolGly-Pro-Glu(5Z,8Z)-TetradecadienoylcarnitineCalebin AL-LeucineEpsilon-(gamma-glutamyl)-lysine1-Nonanethiol(2E)-3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide2,5-DiethylthiazoleDiethyl succinaten-(3-Chloro-2-hydroxypropyl)valine7-Methyloctanoylcarnitine5-O,8-Dimethylophiopogonanone Bcis-11-Eicosenoic acid3-MethoxyflavoneMalachite greenCryptotanshinoneCyclo[(Z)-alpha,beta-didehydrophenylalanyl-L-leucyl]1,4-Butanediphosphonic acidgamma-glutamylglutamateHomovanillyl alcohol sulfateN-NitrosopiperidinePGE2alpha dimethyl amineOrlistatHierridin BLysoPE(0:0/22:5(7Z,10Z,13Z,16Z,19Z))4-Hexenoylcarnitine2,5-Dibenzyl-3-hydroxy-6-methoxypyrazineDiethyl 2,5-dihydroxyterephthalateHexadecanoylpyrrolidineGlutamylthreonineBrevianamide ANeohesperidoseTamarixetintrans-urocanateDihydrolipoateDiethyl-phthalate1-Phenyl-1-propanolDhurrinSoyasapogenol B17a-Aza-D-homoandrost-5-en-3beta-olPalmitoyl SerinolAnethole3-Ethoxy-3-oxopropanoic acidL-ValinePilosine2-ThiouracilBufothionineCreatine2-methoxy-3,5-dimethylpyrazine5-Aminolevulinic acidDMCMCarbazolepropanoic acidLysylvalineOctopineD-Fructofuranose 1,2':2,3'-dianhydride(6S,8Z)-6-Hydroxy-3-oxotetradecenoic acidBenzo[b]thiophene-2-carboxylic acidBexarotene1-(N-Tryptophan)-1-deoxyfructoseTrihexanoinHept-5-enoylcarnitine4-AminoantipyrineN-Hydroxy-MeIQxPiromidic Acid1-(9Z-tetradecenoyl)-sn-glycero-3-phosphocholine(3R)-3,21-dihydroxyhenicosanoic acidAnthranilN2-(3-Carboxy-1-oxopropyl)-L-arginineApronalMyristoyl EthanolamideBovinocidin[1,1'-Biphenyl]-2-carboxamideGlaucocalyxin AD-Glucose 6-sulfateGlycohyodeoxycholic acidHarmaline2-[4-(sulfooxy)phenyl]acetic acidDiphenhydramine2-Ethyldihydro-3(2H)-thiophenoneL-3-Hydroxykynurenine16,16-dimethyl-PGA2Niflumic acidPalmitoleic acid2-(1,2-benzoxazol-3-yl)-N-[3-(2-methyl-1H-indol-1-yl)propyl]acetamideFumarycarnitineAcetaminophen mercapturateurolithin M53-MethylguanineVanilpyruvic acidL-Histidine trimethylbetaine1-Deoxy-1-morpholino-D-fructose(-)-Jasmonoyl-L-isoleucine(S)C(S)S-S-Methylcysteine sulfoxideDihydroxyacetone phosphate7-MethyladenineVitamin AEthyl 5-oxotetrahydro-2-furancarboxylate(+)-Diethyl L-tartrateHexyl 3-mercaptobutanoateStearamidehydroxyasparagine(+/-)-3-(Methylthio)heptanalisoxicamAmetantroneAmlexanox(2-Aminoethyl)phosphonic acid6-BromovanillinCoumarin-3-carboxylic acid3-Hydroxylisovalerylcarnitinetrans-2-Hexadecenoyl-L-carnitine2-(3-acetylindol-1-yl)-N-(3-methylsulfanylphenyl)acetamideN-Phenylacetylglutamic acid3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid(10Z)-Heptadec-10-enoylcarnitine2-Hydroxyglutaric acid diethyl ester7alpha-Hydroxy-CholestenoneAnacardic Acid(R)-1-O-b-D-glucopyranosyl-1,3-octanediol4''-AminoacetanilideCyclo(his-pro)Bufotenine O-glucoside1-AminobenzotriazoleSulfamethoxazole4-hydroxyglutamate1,9-NonanedithiolOctanedioylcarnitine1,1,1,2,2-Pentafluoro-7-phenylheptan-3-one11beta-HydroxyprogesteroneTrp-P-1o-BenzoquinoneDimethyl adipatePropylparabenAla-Glu-OHSymplocosidinCholineMG(0:0/i-15:0/0:0)Ethyl N2-acetyl-L-argininateD-TyrosineDihydroferulic acid 4-O-sulfateCARBETAPENTANE(9E)-7-Hydroxydodec-9-enoylcarnitinealpha-LactoseL-(+)-ArabinoseKinsenosideS-2,5-Dimethyl-3-furanyl 3-methylbutanethioatebeta-CitraurinAsymmetric dimethylargininePhenazone4-Aminobenzamide4-Chloro-1,3-dioxolan-2-oneLansineFuziline2-dehydro-3,6-dideoxy-6-sulfo-D-gluconic acidPalmitoylcarnitine7-methoxy-4-methyl-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]quinolineGlycyl-L-leucineWedelolactoneLysoPC(20:4(5Z,8Z,11Z,14Z)/0:0)7-Keto-dehydroepiandrosteroneVisnaginSalvinorin BPetroselaidic acid(C18-1T)2-Sulfamoylacetic Acidisobutyrylcarnitine (C4)LysoPC(22:5(4Z,7Z,10Z,13Z,16Z)/0:0)3-Hydroxystigmast-5-en-7-one3-hydroxylaurate3-HydroxybutyrylcarnitineEvoxanthidine5'-O-beta-D-GlucosylpyridoxineL-isoleucyl-L-proline(R)-2-Hydroxysterculic acidEpsilon-caprolactamLysoPC(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)Methyl (R)-9-hydroxy-10-undecene-5,7-diynoate glucoside1-Palmitoyl-sn-glycero-3-phosphocholineAminopentolMarinobufagenin7-MethyldodecanoylcarnitineIndole-3-carboxylic acidbeta-Citryl-L-glutamate2-Amino-4-(2-aminophenyl)-4-oxobutanoic acidOlanzapineTESIndicanFenspiride5-Ethyl-2-methyl-4-propylthiazole(S1)-Methoxy-3-heptanethiol2,8-Epithio-p-menthaneHelicinCarnocin U I49N1,N12-DiacetylspermineThiolutin5-Methoxymethyl-2-furaldehydeAllyl thiohexanoateDinor-PGF2alphaTriheptanoinVasicinoneBiotinArecolineL-ProlineMethyl 3-Hydroxyphenylacetate1-MethylxanthineSyringic acid5,8-Dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrathiocinCalystegine A7DeoxycorticosteroneCyclonormammeinMyclobutanilHeptane-1-thiol4-Hydroxy-L-phenylglycine(-)-Corynoxidine2,2,6,6-Tetramethyl-4-piperidinolProlyl-tyrosineSimvastatin acidAristoloneEstriolLorazepamN-Acetyl-L-glutamate 5-semialdehydegamma-glutamyl-2-aminobutyrateDMPO5-HydroxytryptopholMetkephamidChloropanaxydiol1-[3-(4-chlorobenzenesulfonyl)azetidin-1-yl]-2-(1H-indol-3-yl)ethan-1-oneAsparaginyl-Lysine1-nonadecanoyl-sn-glycero-3-phosphocholine2-Hydroxy-6-oxo-1(10),7(11)-germacradien-12,8-olide; (1(10)E,2alpha,4beta,8alpha)-form, 2-Me etherN-NitrosoguvacolineLysoPC(20:2)Pherocon (4-(4-Acetoxyphenyl)-2-butanone)3-HydroxyhexadecanoylcarnitineFudosteineBenzoyl cyanide3,4-Dimethoxycinnamic acidgamma-Sanshoolalpha,alpha-DiphenylglycineGuanosine3-Mercaptopyruvic acid2H-1,4-Benzodiazepin-2-oneBullatine AD-Pinitol3,5-Bis(trifluoromethyl)benzoyl chlorideCurzerenone1,N6-Ethenoadenine7alpha,27-DihydroxycholesterolS-3-oxodecanoyl cysteamineAmifostineAnamorelinN,N'-dicyclohexyl urea2-MethylindoleVeraguamide H, (rel)-HC ToxinCer(d18:0/14:0)Combretastatin A-4Leucomalachite greenIsocurcumenolMG(0:0/i-21:0/0:0)JugloneC16 Sphingosine3-Methylbutyraldehyde oximegamma-Glutamyl-methionineGlutarylcarnitineLipoyllysine2,3',4,6-TetrahydroxybenzophenoneMetalaxyl-MSuberylglycineTomatidineDodecanoylcarnitineMasutakic acid AAsparaginylglycineGingerenone AAcetylcarnitine4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanoneArgininosuccinic acidMG(0:0/i-13:0/0:0)LPE(16:0)GlycylprolineN2-Acetyl-L-aminoadipate semialdehydeEthyl chrysanthemate3-(3,4-dimethoxyphenyl)-4-methyl-7-[2-(piperidin-1-yl)ethoxy]-2H-chromen-2-one2,5-Dihydroxybenzaldehyde1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazineRengyolPhenylalanylvaline2-Amino-2-thiazoline-4-carboxylic acidHypercalin B3-Oxalomalic acid4'-Hydroxy-3'-prenylacetophenoneAmoritin7-Oxoheptanoic acid2,3-DimethylpyrazineCer(d18:0/18:0)IsoprothiolanePirimiphos-methylBekanamycin2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]acetonitrileFluorantheneSemilepidinoside ALysoPC(16:1(9Z)/0:0)Pyridoxal 5'-phosphateTetraethylene glycolAcetylsalicylic acidDL-Ornithino-L-alanine2-Thioxothiazolidine-4-carboxylic acidColumbaridioneHept-4-enedioylcarnitinePrunasingamma-Linolenic Acid methyl esterDEHPCorrinMecoprop1,5-anhydroglucitolQuestiomycin A2-O-Methylascorbic acid3-Hydroxytetradecanoyl carnitineGeranyl pyrophosphate ammonium*200 UG/VI AL3-[[(2R)-2-Acetamido-2-carboxyethyl]disulfanyl]-2-aminopropanoic acid3(2'-Chlorophenyl)-7-hydroxy-4-phenylcoumarin2-PhenylacetamideGentianaineArachidonoyl ethanolamideFosfosalEthyl 3-(methylthio)propionate5-Ethyl-2-methylthiazoleDioctyl PhthalateAromatic aldehyde[(2-Methoxyphenoxy)Methyl]OxiraneDG(2:0/0:0/PGF1alpha)IsofebrifugineTyrosyl-LysineBetaineFormylfusarochromanoneisovalerylcarnitinePhenacetin2,4-dimethylheptanedioylcarnitine2,2,2-Trifluoroethyl2-Propylthiophene1-Deoxy-D-xylulose11beta,17beta-Dihydroxy-4-androsten-3-oneMG(14:1(9Z)/0:0/0:0)6-Thioxanthine3-acetyl-7-hydroxy-2H-chromen-2-oneHomostachydrineEthyl dihydrogen phosphatePropanamide, 2-hydroxy-2-methyl-N-(3,4,5-trichlorophenyl)-O-methylmalonylcarnitine2-[hydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]phosphoryl]oxyethyl-trimethylazaniumHydroxyminaline6-Amino-2-oxohexanoateN-Benzylpalmitamide3-TDA(25R)-Spirost-4-ene-3,12-dione[6]-Dehydroshogaol2-[3-(2,3-dimethyl-1H-indol-1-yl)-2-hydroxypropyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione4-(Methylnitrosoamino)-4-(3-pyridyl)-1-butanolS-(3-Methyl-2-butenyl) ethanethioate7-Ethoxycoumarin2-{4-[6-(1H-pyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl}quinoxalineDocosatetraenoyl EthanolamideNootkatone17,18-dimethyl-3,15-dioxa-11-azapentacyclo[11.8.0.0{2,10}.0{4,9}.0{16,21}]henicosa-1(13),2(10),4(9),5,7,11,16(21),17,19-nonaen-14-one4-Methylene-L-glutamate6''-O-Maloyldaidzincephalosporanic acidMenisdaurinRicinoleic acid, methyl esterVitamin K1 oxideRehmannioside AN-(2-Hydroxyethyl)iminodiacetic acidProlylleucineMethyl 2-hydroxyisobutyrateL-Anticapsin5-HydroxytryptophanAjmalinealpha-Linolenoyl ethanolamide2-Hydroxyadipic acidNetilmicin(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yneIndole-5-carboxylic acid(1e)-3-methoxy-8,12-epoxygermacra-1,7,10,11-tetraen-6-oneDolichosterone1-Aminocyclohexanecarboxylic acidCastanospermineN-Lauroyl CysteineLysoPC(22:4(7Z,10Z,13Z,16Z)/0:0)Methyl cholate2'-DeoxycytidineSM(d18:1/14:1(9Z))12-Epinapelline4-HydroxyprolineXanthotoxinN-cis-11,14-eicosadienoyl ethanolamineTetrahydro-beta-carbolineGigantolL-Norleucine4-EthylphenylsulfateSulfadimethoxineJasminoside BMiraxanthin-V(1R,2R,4S,6R)-2,6-Fenchanediol 2-O-b-D-glucosideSerotoninAminomethanesulfonic acidHistidylglutamic acidTetraethylene glycol monododecyl etherEstrane2-Thiouric acidGluten Exorphin CSM(d19:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))2-MethylacetophenoneCapillarisin2-n-Propylthiazolidine-4-carboxylic acid5-MethylquinoxalineLysoPC(18:3(6Z,9Z,12Z)/0:0)Indolelactic acidN-AcetylserotoninMaltotetraoseundec-10-enoylcarnitineL-Leucyl-L-Valine2,6-DihydroxynicotinateMUCIC ACID(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylateO-(13-Carboxytridecanoyl)carnitineCYCLOSERINE5-(1-Hydroxyethyl)-4-methylthiazoleDopamine 4-sulfatecis-7,10,13,16,19-Docosapentaenoic acidIsopentenyl pyrophosphateEmtricitabinePhenytoin catecholStizolamineAnisodamineMG(0:0/i-16:0/0:0)4-Methylamino antipyrine6-Hydroxyoct-2-enedioylcarnitineHypoxanthine4,4'-Methylenebis(2-chloroaniline)SesamosideNevirapine5-Oxohexanoic acidAtractylonascaroside C62-(furan-2-yl)-6-iodo-3,4-dihydroquinazolin-4-onedocosahexaenoyl ethanolamideN,N-dimethyl-L-ValineSongorinecis-13,16-Docosadienoic acidGlyceryl arachidonateLobetyol(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acidHomocitrulline4-Oxo-2-azetidinecarboxylic acidMG(0:0/14:1(9Z)/0:0)Oxoadipic acidAndrograpaninCortisoneDeoxynojirimycin Tetrabenzyl Ether(-)-8'-Epi-aristoligoneN-Eicosapentaenoyl IsoleucineAnofinic acidvalylglycine4,4-Difluoropregn-5-ene-3,20-dioneValylhistidine2-(2-(2-ethoxyethoxy)ethoxy)ethanol1,3,7-TrimethylisoguanineBU224CortoloneCalligoninePanthenolHistidinolPregnenoloneMG(P-18:0/0:0/0:0)Indole carboxylic acid sulfate[2,2'-Biquinoline]-4,4'-dicarboxylic acidNorharmanL-Glycyl-L-TryptophanPseudotropineLucidenic acid BN-(1-Deoxy-1-fructosyl)leucine9-EthyladenineValylasparagineQueuine4-hydroxy-2,5,5,9-tetramethylcycloundeca-2,9-dienyl 4-hydroxybenzoateL-MethionineDiethyl malonateN-Lauroyl HistidineN-(1-Deoxy-1-fructosyl)prolineNicotinamide2-amino-1,3,4,5-icosanetetrol3-Oxotridecanoylcarnitine11beta,13-DihydrolactucinIeodomycin AMorniflumatemethyl 1-[(7-hydroxy-8-methyl-2-oxo-2H-chromen-4-yl)methyl]piperidine-4-carboxylateDec-5-enedioylcarnitineFraxinN-(2,4-Dimethylphenyl)acetamideArctinol5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanonePMEG10-Methyltetradecanoylcarnitine1-Hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamideArmepavineAmrinone5-Phenyltetrazole3-Palmitoyl-sn-glycerol5-Chloro-2'-deoxyuridine(Z)-S-1-Propenyl methanesulfinothioate1,9-Dideoxyforskolin1,2,5,6-Tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-oneGlycyllysineSuccinylprolineIndole-3-acetaldehydeTrimethylolpropane trimethacrylateBis-triazoleS-[(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl]-L-cysteine1,6-DinitropyrenePyreneEplerenone3-[(2-Oxoacetyl)oxy]-4-(trimethylazaniumyl)butanoateAminophenazoneIsocitrate6-Acetamido-3-oxohexanoatePrecocene I4-Guanidinobutanal6-DimethylaminopurineHexanethioic acid S-propyl esterPodocarpic acidN-Alpha-acetyllysineCetoniacytone AFluoromethylhistidineAMITRIPTYLINETHTCRaspberry ketone glucosideN-p-trans-CoumaroyltyramineIsonicotinylglycineN2-(gamma-Glutamyl)-4-carboxyphenylhydrazineTetrahydro-2-methyl-3-furanthiolRibose 1,5-bisphosphateFlumazenil acidDihydrocodeineD-Ribo-phytosphingosinecis-2-Carboxycyclohexyl-acetic acid15-keto-PGE1Hirudonucleodisulfide C3-Methyl-1,3-Benzothiazol-2(3H)-One4-guanidinobutanamideTRIPROPIONINisoleucylglycineLolineCyclo(Tyr-Leu)4a-Hydroxytetrahydrobiopterin5-Hydroxy-2-pyrazinecarboxylic acid3-[(2E)-3-phenylprop-2-enoyl]-2H-chromen-2-one3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate(+/-)-LongamideB-OctylglucosideEstradiol-17alpha1-Stearoyl-sn-glycero-3-phosphocholineFlamprop-methylMethyl phenyl sulfide(-)-AlkanninAnandamide (20:l, n-9)AnisylacetoneDiallyl SulfideOct-5-enedioylcarnitinep-Hydroxy-5,6-dehydrokawainNicotinic acid riboside2,5-Diethyl-4-methylthiazoleVerrucarin JTetradecenylcarnitine/C14:1Prolinamidedl-3-hydroxynorvalineN-(1-Deoxy-1-fructosyl)tyrosine(7Z,10Z,13Z,16Z)-DocosatetraenoylcarnitineAlmotriptanDithiobiuretCitrulline1,5-NaphthalenediamineLycobetaineNeopterin8-methoxy-2-oxo-2H-chromene-3-carboxylic acid(-)-Hydroxycitric acid lactone5-(3-Methyl-1-triazeno)imidazole-4-carboxamidePantoyllactone glucosideOxprenolol3-(3-Amino-3-carboxypropyl)uridineHydroxypropanedioic acidNiacin acid VB3Tetrahydrothiophene-3-ol 1,1-dioxideTopaquinonetrans-BenzylideneacetoneN-Gluconyl ethanolamine phosphate4-NitrosobiphenylArginylglutamineAplysinal1-(6-(Dimethylamino)naphthalen-2-yl)propan-1-oneDl-Mevalonolactone5-HydroxylysineFexofenadineAdenosine MonophosphateEthylene brassylateLoxoprofengamma-GlutamylphenylalanineIsophorone7-(Diethylamino)-3-(hydroxymethyl)-4-methyl-2H-1-benzopyran-2-one5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone 4'-sulfateLysoPE(0:0/18:4(6Z,9Z,12Z,15Z))Oleamide4-Amino-5-hydroxymethyl-2-methylpyrimidineN,O-Didesmethylvenlafaxine3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone1,9-PyrazoloanthroneN-PhenethylbenzamideKainic acidDehydroevodiamineS-carboxyethylcysteinePristanic acidAminochrome o-semiquinoneErucic acidL-OrnithineMethylthio 2-(propanoyloxy)propanoateTiazofurinMesterolonePhenylalanylalanine2-EthylthiazoleEthyl lactate6-Hydrazinonicotinic acid2-Aminooctanoic acidCyclocytidine3,4,5-Trimethoxyphenylacetic acid2,3-DiphenylpyrazineD-erythro-Sphingosine5Alpha-Androstan-17-Beta-Ol-3-One(2E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(quinolin-4-yl)prop-2-enenitrileThiacremononeLanyuamide III1-(1,2-dimethyl-1H-indol-3-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)ethane-1,2-dioneHydroxyprolyl-Leucine2-(Trifluoromethyl)isonicotinic acid(2Z)-3-(4-methoxyphenyl)-2-(phenylformamido)prop-2-enoic acidLespeol5-Thio-D-Glucose7-keto Cholesterol5,5'-DIMETHYL-2,2'-DIPYRIDYL5-FluorocytosineCitrusinine IIPerilla ketone(3-Chlorophenyl)hydrazine1-DodecanethiolThiopentalUndecanedioylcarnitinePodecdysone BISO-13-(Methylthio)hexanalAllopurinolAniracetam4-methyl-6-phenyl-2H-pyranonePIPESMexiletine(6E)-8-Methylnon-6-enoylcarnitineLobelinPersinArginylmethionine6-Hydroxystigmast-4-en-3-oneBenzo[C]cinnolineStearylcarnitine4-ChlorophenylhydroxylamineTalatisamineTestosterone phenylpropionateDodecanamideSebacoyl-L-carnitineSisomicinMethylsuccinic acid1-{7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}-N-(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)methanesulfonamideEcgonineN6-Carboxymethyllysine(+/-)-2-Propyl-4-pentenoic acidN2,N6-diacetyllysineGlycidyl oleateNatamycinImazalilMopidralazineS-Allylmercapturic acidNorclozapine4-Vinylcyclohexene diepoxide17beta-Amino-5alpha-androstan-11beta-oldelta-Guanidinovaleric acidAcetaminophenD-alpha-Tocopherol SuccinateHydroxyprolyl-GlutamineHexadecanedioic acid mono-L-carnitine esterN-Methylethanolamine phosphateSuccinic anhydrideBUTAPERAZINEN-Oleyl-Leucine4-Chloro-3,5-dimethoxybenzaldehydeRICININEN-LauryldiethanolamineAsp-TrpMCPA-thioethylIminoerythrose 4-phosphateMalabaricone BN-AcetylserineN-Acetyl-L-carnosine17-Methyltestosterone2-Palmitoylglycerol2-Oleoylglycerol1-(3-Aminopropyl)-2-pyrrolidone3-Methyl-(triazen-1-yl)imidazole-4-carboxamideCivetolE3330MeticraneL-Arogenate4-Acetylaminophenylacetic acid5,8-dimethoxy-2,4-dimethylquinoline3beta-Hydroxy-5-cholestenoic acid2-(4-formyl-2-methoxyphenoxy)acetamideQuinestrol3-Oxovalproic acid3beta-Fluoro-5beta-pregnan-20-oneTerreusinol1,8-OctanedithiolBrunfelsamidineIbuprofen7-DehydrocholesterolThalidomide-5-OHNitroarginine3-fluoro-4-[(4-{[(3-methylpyridin-4-yl)oxy]methyl}piperidin-1-yl)methyl]benzonitrile6-dehydroxy-6beta-bromogabosine C1-O-hexadecyl-2-C-methyl-3-phosphatidylcholine4-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]butanoic acidDyphyllineDehydroascorbic acidAlimemazine(13Z,16Z)-3-Hydroxydocosa-13,16-dienoylcarnitine5alpha-Pregnane-3,20-dione2-(4-methoxyphenyl)quinoline-4-carboxylic acid(+/-)-2-MethylthiazolidineEcgonine methyl esterChloroxylenolo-Toluic acidN3,N4-Dimethyl-L-arginine(11Z,14Z)-EicosadienoylcarnitinePyridone 67beta-Hydroxycholesterol2,3-diketogulonateDiclofenacLycoperodine2-Amino-2-deoxy-D-gluconate6-Methoxy-alpha-pyrufuranMefluidide5-methoxy-L-tryptophanMentholDendrodoine4-Carboxypyrazolecis-sinapic acidMeisoindigoBiocytinPropyl gallateThiodiacetic acid1-Methyluric acidQing Hau SauMG(0:0/i-17:0/0:0)2-Aminothiazole-4-acetic acidAllantoxanamide4-O-(beta-L-arabinofuranosyl)-(2S,4S)-4-hydroxyprolineoleoyl ethanolamideCoenzyme Q2TaurineValpromideCoenzyme Q4deoxycarnitineguanidinosuccinate5-(12-Heptadecenyl)-1,3-benzenediol1-HexadecanethiolProtoporphyrin1-METHYLNICOTINAMIDETriptonide6-ThiourateNeopellitorine B2-[6-(benzyloxy)-1H-indol-3-yl]acetonitrile1-CarboxyethylvalineEthyl-p-methoxyhydrocinnamate(2E)-4-Hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphateN-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteineDOPA sulfateCYCLOLEUCINENifuroxazideS-(2-Oxo-2-carboxyethyl)homocysteine2-(1H-Indazol-3-yl)acetic acidFlobetairApocholic acidIriomoteolide 1aStylopine4-Chloro-1-naphtholRhombifoline3-Acetyl-2'-deoxyuridineCitbrasine1-O-Hexadecyl-Rac-GlycerolRetinoic acid2,6-DibromophenolLucideric acid ATopiramateH-PRO-ALA-OHArachidonoylcarnitine6-methylquinoline-2,4-diol5-deoxy ThymidineCystineLysoPC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)AquexGlycerylmonooleateIcosa-8,11,14-trienoylcarnitineAmmelideADENINEMethoxaminePropionyl-carnitineIsocorynoxeineIlicifolinoside A2-amino-3-(1H-imidazol-4-yl)propanoic acidN-MethyldioctylaminePyrazinamideProlylhydroxyprolineDeferitrin8-OxoguanosineL-beta-Homoleucine3-MethyldioxyindolePentaethylene glycol4,8 Dimethylnonanoyl carnitineN-(3-Indolylacetyl)-L-Alanine1,2-Diazenedicarboxamideethyl 5-[(2-methylprop-2-en-1-yl)oxy]-2-phenyl-1-benzofuran-3-carboxylate11-DehydrocorticosteroneTryptamineGLYCOCHENODEOXYCHOLIC ACID2-(4-nitrophenyl)-N'-[(E)-(quinoxalin-6-yl)methylidene]acetohydrazide2,6-Di-tert-butyl-4-hydroxymethylphenolN-[4-[(6-Methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamideHerkesteroneMG(0:0/19:0/0:0)Benzene-1,2,4-triolCytosine6-phospho-D-glucono-1,5-lactoneOleylcarnitineN6-Methyladenosine9-Hydroxyoctadecanoic acidTensyuic acid AN-(1-benzylpiperidin-4-yl)-5-[(4-fluorophenyl)methoxy]-4-oxo-4H-pyran-2-carboxamideTuricineN-(4-Amino-2,5-diethoxyphenyl)benzamideDiisobutyl adipate(4E)-2-Oxohexenoic acidCarglumic acid3-ButylidenephthalideS-Butylcysteine sulfoxidePi-Methylimidazoleacetic acidasc-DeltaC8O-beta-D-Glucopyranosyl-cis-zeatinAsparaginyl-Proline6-Isopropyl-9-methyl-1,4-dioxaspiro[4.5]decane-2-methanol4-KetoifosfamideHomocarnosineEthephonN-[2-(1H-indol-3-yl)ethyl]-5-[(3-methoxyphenyl)methoxy]-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxamidePhensuximideMethyl p-tert-butylphenylacetatep-OctopamineThiomorpholine 3-carboxylateAgar2-HydroxyphenethylaminePC(P-16:0)5-[(3S)-1,2-Dithiolan-3-yl]pentanoylcarnitineDimethylglycinePlatenolide A4-Fluoro-3-phenoxybenzoic acidTerpendole EMetipranololLysoPC(22:2(13Z,16Z)/0:0)1-MethylinosineDeethylatrazinecyclo(pro-val)Prenisteine9-Amino-N-[3-(Dimethylamino)Propyl]Acridine-4-CarboxamideVoriconazolePicrininePachyrrhizinLeu-Gly-Pro(-)-OvalicinValylarginine3-hydroxy-cis-5-octenoylcarnitine2,6-diethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-4H-chromen-7-yl propanoateAcetylisoniazidN-Vinyl-2-pyrrolidone16-Mercaptohexadecanoic acid8-fluoro-3-iodo-5-nitroquinoline2,4-Dihydroxyhept-2-enedioateEupolauridine9-MethyltricosanoylcarnitineNimbolide1-O-Hexadecyl-sn-glycero-3-phosphocholine (LPC(O-16:0L-Noradrenaline2-Aminoacridone2,3-Dinor-8-iso prostaglandin F1alphaQuinoline-4-carboxylic acid1-MonomyristinN-Acetyltyramine(+/-)-Isobutyl 3-methylthiobutyrateTranexamic acid3-Amino-4-hydroxybenzoate3-Aminoadipic acidPC(PGF1alpha/14:0)5-Ethyl-4-methyl-2-pentylthiazoleDiallyl disulfidePhosphoenolpyruvic acid3-O-Methyldopa2,3-Dihydroxy-4-methoxybenzoic acid3-Hydroxy-beta-iononeVinpocetine2,2'-Dithenyl sulfideDecanoylcarnitine(2E)-3-(pyridin-3-yl)prop-2-enoic acidL-GlutaminegabapentinSuccinic acid monoethyl ester(Trifluoromethyl)cyclohexane2-Ethyl-4-methylthiazoleFluorocarazolol(12Z)-10-HydroxyoctadecenoylcarnitineCyclo(4-hydroxy-R-Pro-S-Leu)3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acidOctadecanamine2-Nor-2-formylpyridoxal-5'-phosphateN-AcetylmuramateMG(0:0/20:2(11Z,14Z)/0:0)Cer(d18:0/18:1(9Z))Linoleic acid amiden-Pentadecylamine2-HYDROXY-2-METHYLBUTYRIC ACID4-Chloroindole-3-acetic acidGlutamylleucine3-Dodecyloxypropane-1,2-diol2-Aminopurine(S)-10-HydroxycamptothecinPhosphorylcholineIndole-3-butyric acidProcaineGalacturonic acid(6Z,9Z)-Hexadecadienoylcarnitine1-(3-Carboxypropyl)-3,7-dimethylxanthine1,2,4-NonadecanetriolHexafluoroisopropanolSulfadiazine5-O-Methylvisamminolp-CresolLysoPC(P-18:0/0:0)carbidopaErgotamine2'-O-MethylcytidineAminomethylphosphonic acid2-Ethylpentanedioylcarnitinegamma-GlutamylserineDi(2-ethylhexyl) adipateLyso-PAF C-182-Hydroxynicotinic acid3b-hydroxy-5-cholenoic acidHis-ProDiisopropanolamineIndirubin-3'-oxime4H-thieno[3,2-b]pyrrole-5-carboxylic acidN-acetylmethionine sulfoxide8-Cyclopentyl-1,3-dipropylxanthineL-OctanoylcarnitineRiboflavinHistidylhistidineEicosapentaenoic acid ethyl esterLoureirin ACumeneH-gamma-Glu-Gln-OHN-Acetylaspartylglutamic acid (NAAG)D-(-)-Quinic acidMonascincytidine5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-oneJacobine N-oxideTropinone1,2-Dioctanoyl PC6-HydroxydodecanoylcarnitineN2-MethylguanosineMasuda's compound V6-HydroxyoctanoylcarnitineL-dihydroanticapsinAsterinic acid2-Amino-5-phosphonopentanoic acid1-Methyl-4-nitroimidazoleN-(2-Hydroxyethyl)-4-hydroxybenzamideN6-BenzyladenineDehydropipernonalineThiochromeGlucosamineTazarotenic acidPentadeca-5,12-dienoylcarnitineTributyrinN4-AcetylsulfamethazineArtemisonePentyloneramiprilN,N,N'',N''-Tetrakis(2-hydroxyethyl)hexanediamideStearoylethanolamide2'-O-MethyladenosineicosasphinganineGeraniolBenzyl benzoate2-Methyl-4-propyl-1,3-oxathianeMethylcysteineTiglyl carnitine10-MethylHexadecanoylcarnitineN-Acetyl-S-methylcysteinebeta-Cembrenediol5S,6S-epoxy-15R-hydroxy-ETE2-(3'-(5'-Hydroxyindolyl)methyl)-1,3-thiazolidine-4-carboxylic acid1-(9Z-Eicosenoyl)-sn-glycero-3-phosphocholine1-Linoleoyl-rac-glycerolValylglutamineN-Isobutyl-(2E,4E)-octadecadienamide4-Pyridoxic acidTyrosylalanine1-(5-Hydroxy-2-oxo-2,3-dihydroimidazol-4-yl)urea20-HETE ethanolamide(2S)-2-Amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one hydrochlorideCytochalasin AMyricetin(+-)-HeraclenolTetradecanoylcarnitine1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 2-O-b-D-glucosideLysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))Polyporusterone BOR-1896(1R*,2R*,4R*,8S*)-p-Menthane-1,2,8,9-tetrol 9-glucosideN,N-DimethylsphingosineN-acetylmethionineSulfamethazineLasofoxifeneLysoPC(20:3(5Z,8Z,11Z)/0:0)2,2'-DithiodipyridineViridicatolDarutoside3-hydroxydecanoyl carnitine(2E)-3-Methylpent-2-enedioylcarnitineFentanylDehydrosafynol3-Hydroxybenz(de)anthracen-7-oneepsilon-Maleimido-lysineNepsilon,Nepsilon,Nepsilon-Trimethyllysine3,4-Dihydroxyphenylvaleric acid 4 sulfateIndanoneLagochilinOenanthic etherL-ascorbyl-2-phosphate1-(4-hydroxyphenyl)-2-phenylethane-1,2-dioneThioproline2-O-Methyl-L-fucose2,2-dichloro-1,1-ethanediol5-Hydroxymethylcytidine4-HydroxypropiophenoneDIBOA7-Cyano-7-deazaguanineSpermidineHarmalolCrenulatinL-Ethionine1,17-Diamino-4,9,13-triazaheptadecaneMiraxanthin-IIIProhydrojasmon3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl cyclopropanecarboxylate6-DodecenoylcarnitineBeta-Hyodeoxycholic acidcis-4,7,10,13,16,19-Docosahexaenoic acidgalactosyl hydroxylysineN-Didesmethyl-tamoxifenAspartylphenylalanineLeucyl-AlanineLawsonep-Hydroxytriamterene4-[6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-4H-chromen-2-yl]butanoic acidFlavokawain C9,10-12,13-DiepoxyoctadecanoateCephalandole BSerylvaline2-Hydroxy-3-carboxybenzalpyruvatePC(17:1(10Z)/0:0)4-Formylaminoantipyrine9-Octadecen-1-amine5'-Methylthioadenosine4-NitrophenolLedolRitalinic acid2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate4-Hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidineCreatininephenylalanylglycine5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanonePyridoxine2,2-Dimethylsuccinic acidGibberellin A743-Methylsalicylic acidBenzoylureaFormiminoglutamic acidTridec-7-enoylcarnitineNORETHINDRONE ACETATEMG(0:0/18:3(6Z,9Z,12Z)/0:0)4-{[1-(1-benzylpiperidin-4-yl)azetidin-3-yl]oxy}-2-methylpyridineHexaethylene glycolOsmundalactoneHistidylglycinePalmitic amideCoccinic acidMG(18:1(11Z)/0:0/0:0)isoquinoline-5-sulfonic acidBETAMIPRONEthyl 5-(methylthio)valerate5,7-Dihydro-2-methylthieno[3,4-d]pyrimidineBenzyl cinnamateguanine4-HydroxybenzonitrileMenthol-glucoronideTryptopholL-Lysine4-guanidinobutanoate4-(7-methoxy-1-benzofuran-2-yl)-7,8-dimethyl-2H-chromen-2-oneHydroxyprolyl-Valine(4E,6E)-3-hydroxydeca-4,6-dienoic acid1-MethylhistidinePC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))Pyridoxine 5'-phosphategamma-Glutamylaspartic acidAsperitaconic acid BEglinazine(+)-ProsopinineMG(0:0/21:0/0:0)EscitalopramBromfenac(11Z)-Docos-11-enoylcarnitine(S)-3-Hydroxy-4,4-dimethyldihydrofuran-2(3H)-one4-Hydroxy-6-methyl-2-pyroneProgesteroneGallicynoic acid Dcis-11,14,17-Eicosatrienoic acidTFAPDibenzothiophene-5,5-dioxide2-Hydroxyundec-3-enoylcarnitineTHROMBOXANE B2Arachidonoyl serinol1-(3,4-Dichlorophenyl)-3-azabicyclo[3.1.0]hexaneGabaculine5-(4-chlorophenyl)-N-(quinolin-8-yl)-1,3-oxazole-2-carboxamideN-acetylarginine3,4-O-Dimethylgallic acid(2E)-1-(4-chlorophenyl)-3-(1-methyl-1H-indol-3-yl)prop-2-en-1-one4'-O-MethylpyridoxineKynurenic acidPalmitoylethanolamideMuramic acidPentamidinemethionine sulfoxide2,6-Dimethylquinoline5-Bromo-L-tryptophan19-Hydroxyandrost-4-ene-3,17-dioneTuliposide BOctahydrocurcuminFuraneol acetateoxalosuccinateLucidenic acid LM1EslicarbazepineCarnosineCocamidopropyl betaineNicotine glucuronideL-N-(1H-Indol-3-ylacetyl)aspartic acid1,8-Diazacyclotetradecane-2,9-dioneProlyl-ArginineGlycidyl stearateDihydrozeatin3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate3-hydroxy-3-methylglutaratePropionylpromazine5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-iumMethyl salicylateN1,N8-DiacetylspermidineN-hexadecanoyl-L-Homoserine lactone8-GingerolIndene3,4-Dihydroxyphenylpyruvic acidBergamottin2,6-dihydroxyanthraquinoneBarbitalGibberellin A43Cimigenoside2-(4-Methyl-5-thiazolyl)ethyl formateNon-7-enoylcarnitineImidazol-1-yl-acetic acid2-methoxypyrimidin-4-amineIndoleacrylic acid4-HydroxyanilineN-methyltaurine8-Cyclopentyl-1,3-dimethylxanthine(S)-3-Methylthiohexyl butyrateDihydrokainic acid2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene3,3'-Thiobispropanoic acidGuanidine, (4-chloro-3-methoxy-1-oxo-1H-2-benzopyran-7-yl)-Fructosyl-glycineN-linoleoylglycineCyclophosphamide2,3,4-TrihydroxbenzophenoneSpermineMaoecrystal ABliningamma-glutamyltryptophanLinamarinL-Argininegamma-Linolenic acidDeoxylimoninHippuric acidCyclo(Ala-Gly)Sulcatone3-(4-Methyl-3-pentenyl)thiopheneNorfenfluramineCitreoviridinPhenylbiguanideL-Prolinamide, glycyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-N-Succinyl-L,L-2,6-diaminopimelateImidazole acetol-phosphateLEVULINIC ACIDSenecionine N-oxideDihydro-2-methoxy-2-methyl-3(2H)-thiophenone3-Amino-2-oxazolidinoneBrevifolincarboxylic acidD-Glucosylsphingosine1-Oleoyl-sn-glycero-3-phosphocholineCapsi-amideLysoPC(22:1(13Z)/0:0)1-Tridecanoyl-2-hydroxy-sn-glycero-3-phosphocholinechondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 5aEnalaprilat(9Z)-Icos-9-enoylcarnitineLumichrome9,10,18-Trihydroxystearate(5E)-8-Hydroxytetradec-5-enoylcarnitineMethylenediphosphonic acidDiprotin A12-acetyl-2-methylnaphtho[2,3-b]indolizine-6,11-dione6-BiopterinPropyphenazonebeta-Damascone4-(Dimethylamino)butyl carbamimidothioate4,6-DihydroxyquinolineAnserine(5R,6E)-5-Hydroxy-1,7-diphenyl-6-hepten-3-oneIndospicinePhenylpropiolic acid(S)-Piperidine-2-carboxamideTetrahydropteridineN-AcetylprolineN-(3-Methoxybenzyl)PalmitamideHydroxypropionylcarnitineHeptaethylene glycolMoschamine3''-Aminoacetophenonehomoarginine6-Hydroxynon-6-enoylcarnitineNaphthaleneL-SelenoMethionineN-Docosahexaenoyl CysteineH-D-Trp-OHN2-Fructopyranosylarginine1-{2,4-dihydroxy-3-[(piperidin-1-yl)methyl]phenyl}-2-(4-methoxyphenyl)ethan-1-one6,15-diketo-13,14-dihydro Prostaglandin F1alphaDiisobutyl phthalate2,3-Dihydroxy-4-methoxyacetophenonesn-Glycero-3-phosphocholinear-TurmeronePerflubutaneDipivefrinCystathionine ketiminePC(18:1(12Z)-2OH(9,10)/2:0)Palmitoleoyl EthanolamideHirsutenol Fdelta-DecalactoneCyclooctaneEpoxymicheliolide1,3,2lambda~6~-Dioxathietane-2,2-dioneHypusine4-Oxooctanoylcarnitine2-Chloroaniline4,6-O-Ethylidene-alpha-D-glucosePhenylphosphoric acidTriethylene glycol dimethacrylateDikegulac(2S)-2-Amino-3-[(2-chloroacetyl)amino]propanoic acid(+/-)-3-[(2-methyl-3-furyl)thio]-2-butanoneCamptothecin(2S)-6-Amino-2-(2-iminoethylamino)hexanoic AcidSphingosine (d17:1)1-Ethyl-1H-pyrrole-2-carboxaldehyde1,8-Dinitropyrene(+/-)-2-PropylthiazolidineEthyl ferulatePhenazine-1-carboxylic acidgamma-Glutamyl-valineMG(0:0/18:0/0:0)4-Hydroxytolbutamide2,3-PhenazinediamineDeoxycorticosterone acetatepimobendan6-HydroxyisatinSimvastatinDesmodimine2-Ethyl-2-hydroxybutanedioylcarnitineAristolochic acid BVitamin K2m-Coumaric acidO-(17-Carboxyheptadecanoyl)carnitineMiltefosineN,N-Dimethyltetradecylamine-N-oxideglutamyl-meso-diaminopimelate2,6-Diaminoheptanedioic acidCEGABAOxypurinoln-TetradecanamideMicropine2-Oxo-5-(3,3-dimethylguanidine-1-yl)pentanoic acid(2R)-2-(2-Hydroxyhydrazinyl)-3-sulfanylidenepropanoic acidGanoderic acid C2Robinetin trimethyl etheralpha-Arbutin2,5-Dihydro-2,4,5-trimethylthiazole2-Pyrimidinamine, 4-(5-bromo-1H-indol-3-yl)-Adenosine-2'-monophosphateMedroxyprogesterone1,3-Dimethyluracil2,2,3,3-Tetramethylcyclopropanecarbonylurea2,3,5-Trimethylpyrazine2-(Methylsulfonyl)pyridine2,5-Furandicarboxylic acidEnceniclinePsoralen3-Oxohexadecanoic acidDityrosinefalseMetabolomic Profiling of Personalized Cancer Therapy Responses in Organoid Chips<p>This study investigates metabolomic changes associated with personalized cancer therapy responses in patient-derived organoid chips containing a reconstructed tumor microenvironment. The dataset includes de-identified sample metadata, raw mass spectrometry files, processed metabolite abundance matrices, and metabolite annotations from different treatment conditions. These data support independent evaluation and reproduction of the metabolomics analyses reported in the manuscript.</p>2026-08-062026-07-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