MetaboLightsapplication/xmlftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14248/m_MTBLS14248_LC-MS_positive_reverse-phase_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14248/m_MTBLS14248_LC-MS_negative_reverse-phase_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14248/a_MTBLS14248_LC-MS_positive_reverse-phase.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14248/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14248/s_MTBLS14248.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14248/a_MTBLS14248_LC-MS_negative_reverse-phase.txtprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14248<p>Compound identification of metabolites was performed by comparing of accuracy m/z value (&lt;10 ppm), and MS/MS spectra with an in-house database established with available authentic standards.</p>MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseLiquid Chromatography MS - positive - reverse-phase<p>Analysis was performed using an UHPLC (1290 Infinity LC, Agilent Technologies) coupled to a quadrupole time-of-flight (AB Sciex TripleTOF 6600) in Shanghai Applied Protein Technology Co., Ltd. For HILIC separation, samples were analyzed using a 2.1 mm × 100 mm ACQUIY UPLC BEH Amide 1.7 µm column (waters, Ireland). In both ESI positive and negative modes, the mobile phase contained A=25 mM ammonium acetate and 25 mM ammonium hydroxide in water and B= acetonitrile. The gradient was 95% B for 0.5 min and was linearly reduced to 65% in 6.5 min, and then was reduced to 40% in 1 min and kept for 1 min, and then increased to 95% in 0.1 min, with a 3 min re-equilibration period employed.</p>Serum proteomics and metabolomics reveal novel noninvasive molecular signatures for hepatocellular carcinoma diagnosis.Department of Laboratory Medicine, The First Affiliated Hospital, Fujian Medical University, Fuzhou, ChinaLin LinSerummass spectrometry assay<p>Fasting blood samples were collected in 5 mL Vacutainer tubes containing the chelating agent ethylene diamine tetraacetic acid (EDTA), then the samples were centrifuged for 15 min (1500 g, 4 °C). Each aliquot (150 μL) of the plasma sample was stored at –80 °C until LC-MSanalysis. The plasma samples were thawed at 4 °C and 100 μL aliquots were mixed with 400 μL of cold methanol/acetonitrile (1:1, v/v) to remove the protein. The mixture was centrifuged for 20 min (14000g, 4 °C). The supernatant was dried in a vacuum centrifuge. For LC-MS analysis, the samples were re-dissolved in 100 μL acetonitrile/water (1:1, v/v) solvent and centrifuged at 14000 g at 4 ℃ for 15 min, then the supernatant was injected.</p>Homo sapienshttps://www.ebi.ac.uk/metabolights/MTBLS14248Lin Lin. Department of Laboratory Medicine, The First Affiliated Hospital, Fujian Medical University, Fuzhou, China. 812107870@qq.com.<p>The raw MS data were converted to MzXML files using ProteoWizard MSConvert before importing into freely available XCMS software. For peak picking, the following parameters were used: centWave m/z = 10 ppm, peakwidth = c (10, 60), prefilter = c (10, 100). For peak grouping, bw = 5, mzwid = 0.025, minfrac = 0.5 were used. CAMERA (Collection of Algorithms of MEtabolite pRofile Annotation) was sued for annotation of isotopes and adducts. In the extracted ion features, only the variables having more than 50% of the nonzero measurement values in at least one group were kept.</p>Treatment812107870@qq.com<p>The collected serum samples, including the healthy control group, the chronic hepatitis B group, the liver cirrhosis group, and the liver cell carcinoma group, were stored in a -80℃ refrigerator.</p>MetabolomicsMetabolomicsuntargeted analysisdiagnosisHomo sapiensSerumbiomarkerAgilent 1290 Infinity HPLChepatocellular carcinomaAB SCIEX TripleTOF 6600Agilent 1100 Series HPLC SystemMetabolomicsuntargeted analysisdiagnosisHomo sapiensSerumbiomarkerAgilent 1290 Infinity HPLChepatocellular carcinomaAB SCIEX TripleTOF 6600Agilent 1100 Series HPLC System<p>The ESI source conditions were set as follows: Ion Source Gas1 (Gas1) as 60, Ion Source Gas2 (Gas2) as 60, curtain gas (CUR) as 30, source temperature: 600℃, IonSpray Voltage Floating (ISVF) ± 5500 V.In MS only acquisition, the instrument was set to acquire over the m/z range 60-1000 Da, and the accumulation time for TOF MS scan was set at 0.20 s/spectra. In auto MS/MS acquisition, the instrument was set to acquire over the m/z range 25-1000 Da, and the accumulation time for product ion scan was set at 0.05 s/spectra. The product ion scan is acquired using information dependent acquisition (IDA) with high sensitivity mode selected. The parameters were set as follows: the collision energy (CE) was fixed at 35 V with ± 15 eV; declustering potential (DP), 60 V (+) and −60 V (−); exclude isotopes within 4 Da, candidate ions to monitor per cycle: 10.</p>5-acetylamino-6-amino-3-methyluracilD-myo-inositol-1,3-diphosphate1-o-hexadecyl-2-o-acetyl-sn-glyceryl-3-phosphorylcholine2-aminobenzamideDapsoneSoyasapogenol b base + o-hexa-penN-(octadecanoyl)sphing-4-enine-1-phosphocholine.gamma.-linolenic acidEthylenediaminetetraacetic acid1-o-octadecyl-sn-glyceryl-3-phosphorylcholineStearoylcarnitine1,2-dipentadecanoyl-sn-glycero-3-phosphocholineNelfinavir1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholineKynurenic acidL-Histidine4-hydroxydebrisoquineTrigonellineProstaglandin i2Angiotensin iiiDL-prolineAnabasine1-stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamineNg,ng-dimethyl-l-arginineHydroxyflutamide2-hydroxy-3-methylbutyric acidSulfamoxoleL-ProlineUreaMethyl indole-3-acetate4-androsten-17.beta.-ol-3-one glucosiduronateNeomycin5-L-Glutamyl-L-alaninePectin (Galacturonic acid)3-cyclohexyl-6-(dimethylamino)-1-methyl-s-triazine-2,4(1h,3h)-dione3-Hydroxydodecanoic acidMethylphenidateD-myo-inositol-3,4,5,6-tetraphosphateLoperamideAlpha-N-Phenylacetyl-L-glutamineGabapentinCyclohexylamineLactulose2-oleoyl-1-stearoyl-sn-glycero-3-phosphoserineTetrahydrofolateD-Mannose17alpha-hydroxyprogesteroneMyristoyl-l-carnitineButoxyacetic acidN-tetracosenoyl-4-sphingenineArginine1-arachidoyl-2-hydroxy-sn-glycero-3-phosphocholineN-palmitoyl-d-erythro-dihydroceramide-1-phosphateL-TryptophanTriethanolamine3-hydroxybutyrylcarnitineAla-Phe1-Stearoyl-2-oleoyl-sn-glycerol 3-phosphocholine (SOPC)Oleoyl-l-carnitineSotalolDL-valine6-ketoprostaglandin e1NiacinamideCoenzyme q21-stearoyl-2-docosahexaenoyl-sn-glycerolDopamineMelamineN6-Methyl-L-lysineDecanoyl-l-carnitineCholesterol1,2-distearoyl-sn-glycero-3-phosphocholineSorbitane monostearate - polysorbate 60 in-source fragmentIsophoroneL-homoarginineRimonabantFumarateBetulinic acidChorismic acidDL-alanineCiprofloxacinSarafloxacinUracilAmprenavirN-Acetylneuraminic acid2,6-di-tert-butylbenzoquinoneQuinapril10-formyl-7,8-dihydrofolic acidTaurocholateChlorprothixeneMaltotetraoseGossypolDoxorubicinStreptomycin aTriamcinolone diacetateTrimeprazineN-desbutylbupivacainePro-hypOxandroloneOctanoylcarnitine1,2-ditetradecanoyl-sn-glycero-3-phosphocholineOctaethylene glycolHexadecanedioic acidDasatinibL-CystineBiliverdin2-palmitoyl-rac-glycerol5alpha-androstan-17beta-ol-3-oneArachidonic acid (peroxide free)Bisoprolol1-palmitoyl-sn-glycero-3-phosphocholinePalmitoyl sphingomyelin1-oleoyl-sn-glycero-3-phosphoethanolamine2-oxo-5-(3,3-dimethylguanidine-1-yl)pentanoic acidMontelukast sulfoxideCarvedilolL-saccharopine1-(1z-octadecenyl)-2-(5z,8z,11z,14z-eicosatetraenoyl)-sn-glycero-3-phosphocholineHypoxanthineBenzoic acid eugenyl esterRaloxifeneBisphenol a diglycidyl etherOrnithineDl-Leu-dl-Val1-palmitoyl-2-myristoyl-sn-glycero-3-phosphocholineFurostane base -2h + o-hex, o-hex-dhex-dhexAcetyl-l-carnitineNicotineAmcinonideL-ArginineDimethylallyl pyrophosphate1-oleoyl-2-myristoyl-sn-glycero-3-phosphocholineD-glutaminePermethrinEnterolactonealpha-Linolenic acidAndrostan-3-ol-17-one 3-glucuronideLomefloxacin1-oleoyl-sn-glycero-3-phosphocholineHistidylserineL-glutarylcarnitineD-ornithineBenzamide1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-l-serineN-myristoylsphinganineN-oleoyl-d-erythro-sphingosylphosphorylcholineL-homocitrullineBeclomethasone1,2-dioleoyl-sn-glycerolDiatrizoic acid1,2-dipalmitoleoyl-sn-glycero-3-phosphocholineResveratrolL-CarnitineN.epsilon.-methyl-l-lysine1-Stearoyl-2-arachidonoyl-sn-glycerolGln-argIndinavir1,2-dihexadecanoyl-sn-glycero-3-phosphocholineEthanolamine.gamma.-aminobutyric acidCaptoprilZafirlukastEnoxacinIsoprocarbAdenineN-acetyl-l-tyrosine2-arachidonoylglycerol(3r,7r,9s,10s,12s,13r,14s,17r)-17-((2r)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol1-behenoyl-2-hydroxy-sn-glycero-3-phosphocholine3-hydroxyanthranilic acidCortisone1-Stearoyl-sn-glycerol 3-phosphocholine(LPC(18:0))Isobutyric acidMatairesinolGlu-TrpDibucaineArgininosuccinic acidCis-11,14-eicosadienoic acidDL-tyrosinePro-TrpDL-Glutamic acidDL-threonineL-PhenylalanineN-acetyl-d-lactosamine(+)-chlorpheniramineAripiprazoleHistidineLntMelibiosePC(16:0/16:0)AnserineSphingosineLeukotriene b4 dimethylamideChlorhexidineMethoxyacetic acid3-MethylhistidineCaffeineTyramine1-(1z-octadecenyl)-2-(4z,7z,10z,13z,16z,19z-docosahexaenoyl)-sn-glycero-3-phosphocholineLopinavir7,8-dihydroneopterinMaltotriose19-noretiocholanoloneSufentanyl1,5-pentanediamine1-(1z-hexadecenyl)-sn-glycero-3-phosphocholineIsobutyryl-l-carnitinePsychosine1-(1z-octadecenyl)-2-(5z,8z,11z,14z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamineLysineMelezitoseAcetaminophen8-desoxygartaninD-erythrose 4-phosphateLinoleoylcarnitineTrimethylamine n-oxidePhenylacetaldehydeErgothioneine1-Aminocyclopropanecarboxylic acidMaslinic acidAmikacinPheniramineStavudineTetraethylene glycolMonocrotophosLauroyl-l-carnitineTetrahydro-l-biopterinMeperidine2-docosahexaenoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine(R)-3-Hydroxybutyric acid1-myristoyl-sn-glycero-3-phosphocholineS-adenosyl-l-homocysteineDipivefrine1-pentadecanoyl-sn-glycero-3-phosphocholinePiperine1-octadecyl lysophosphatidic acidS-methyl-5'-thioadenosineIndoleacetic acidBenzimidazoleDimethyl sulfone2-amino-1-phenylethanolCreatinineDexpanthenolFlunisolideL-propionylcarnitine1-methyladenosineN-methyl-.gamma.-oxo-3-pyridinebutanamide.beta.-ecdysoneN-.alpha.-acetyl-l-ornithineS-AdenosylmethionineDiacetylL-palmitoylcarnitinePitavastatinNicardipineD-glucosamine 6-phosphateN-octadecylamineN-palmitoyl-d-sphingosine2-(r)-[1-(r)-(3,5-bis(trifluoromethyl)phenyl)ethoxy]-3-(s)-fluorophenylmorpholineStachydrineCholineN-Acetyl-L-alanineAcetylcholine2',3'-dideoxycytidineAdenosine 5'-monophosphateN-carboxyethyl-.gamma.-aminobutyric acid9-oxo-11-(3-pentyl-2-oxiranyl)-10e-undecenoic acidTrandolaprilatN-acetylglutamineDesogestrel2,3-dimethoxyphenolDibutyl phthalateBilirubinSofalconeGamma-glu-gluGlycocholate1-(1z-octadecenyl)-sn-glycero-3-phosphocholineAmilorideAnilineBetaine1-stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine3-(2-hydroxyethyl)indolePioglitazoneL-pipecolic acidPhosphorylcholineL-hydroxyarginineOxyacanthineDL-isoleucineCytidineCarnitine1-stearoyl-2-hydroxy-sn-glycero-3-phosphocholineO-acetyl-l-serine4,6-dioxoheptanoic acid3-methylglutarylcarnitineN-nervonoyl-d-erythro-sphingosylphosphorylcholineBis(2-ethylhexyl) adipateSolasodineAminophenazoneIsoquinolineAtorvastatin9-oxo-10e,12z-octadecadienoic acidL-LysinePicrotoxininL-GlutamateLevomepromazineMorphine-3-glucuronide17.beta.-nandrolone decanoate2-linoleoylglycerolN-methyl-l-glutamic acid3-methyl-l-histidineOxazepamHydrocortisone1-lignoceroyl-2-hydroxy-sn-glycero-3-phosphocholinePhytolaccasaponin GSulindacUrocanate1-heptadecanoyl-sn-glycero-3-phosphocholineNabiloneTrioxsalenDiallyl sulfideDL-serineVindesineN-lauroyl-d-erythro-sphingosylphosphorylcholine2-phenylacetamideTerfenadine5-acetylamino-6-formylamino-3-methyluracilSphingomyelin (d18:1/18:0)MoclobemidePhosphocholineHexanoyl-l-carnitineN-acetylhistidine7-methylguaninePsoralenNudifloramideLinolenic acidFluocinolone acetonide19-hydroxyandrost-4-ene-3,17-dioneSarcosineGlycodeoxycholic acid2-oleoyl-1-palmitoyl-sn-glycero-3-phosphocholineN-acetyl-l-phenylalanineFosinoprilN-acetyl-dl-valineBenzylamine1,7-DimethylxanthinefalseSerum proteomics and metabolomics reveal novel noninvasive molecular signatures for hepatocellular carcinoma diagnosisThis study aimed to identify and validate noninvasive serum protein and metabolite biomarkers for the early detection and prognostic assessment of hepatocellular carcinoma (HCC).In this study, we systematically analyzed serum proteomics and metabolomics across four cohorts, including healthy controls (Health) and patients with chronic hepatitis B (CHB), liver cirrhosis (LC), and HCC. Standardized sample handling protocols were applied, and high-resolution mass spectrometry combined with rigorous statistical analyses was used to identify differential proteins and metabolites.2026-04-102026-04-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