MetaboLightsapplication/xmlftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13787/m_MTBLS13787_LC-MS_positive_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13787/m_MTBLS13787_LC-MS_negative_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13787/s_MTBLS13787.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13787/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13787/a_MTBLS13787_LC-MS_positive_reverse-phase_metabolite_profiling.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13787/a_MTBLS13787_LC-MS_negative_reverse-phase_metabolite_profiling.txtprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13787<p>Metabolite annotation was performed by matching MS/MS spectra against an in-house database (BiotreeDB version 2.1) with a cutoff score of 0.3. The confidence of metabolite annotation was categorized according to the recommended levels described in the Nature Methods best-practice guidelines for mass spectrometry-based metabolomics, ranging from Level A to Level D.</p><p><br></p>MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseLiquid Chromatography MS - positive - reverse-phase<p>Chromatographic separation was performed on a Thermo Vanquish UHPLC system equipped with a Waters ACQUITY UPLC HSS T3 column (2.1 mm × 100 mm, 1.8 μm). The mobile phase consisted of water containing 5 mmol/L ammonium acetate and 5 mmol/L acetic acid (A) and acetonitrile (B). The column temperature was maintained at 4 °C, and the injection volume was 2 μL.</p><p><br></p>Microbiome and metabolome patterns centered on cancer cachexia link skeletal muscle and adipose tissue depletion to clinical outcomes in locally advanced rectal cancer.Zhixing KuangFujian Medical University Union Hospitalserummass spectrometry assay<p>Untargeted metabolomics analysis was performed on the samples. A 100 μL aliquot of each serum sample was mixed with 300 μL of methanol extraction solution containing an isotopically labeled internal standard mixture. After vortexing for 30 s, the mixture was sonicated for 10 min in an ice-water bath and incubated at −40 °C for 1 h, followed by centrifugation at 12,000 rpm for 15 min at 4 °C. The supernatant was collected for LC-MS/MS analysis.</p>Homo sapienshttps://www.ebi.ac.uk/metabolights/MTBLS13787Benhua Xu. Union Hospital. Xinquan Road 29, Fuzhou, China. benhuaxu@163.com.Zhixing Kuang. Fujian Medical University Union Hospital. zhixingkuang@gmail.com.<p>Raw mass spectrometry data were converted to mzXML format using ProteoWizard and processed for peak detection, extraction, alignment, and integration using an in-house R pipeline based on the XCMS package.</p><p><br></p>GroupSource namezhixingkuang@gmail.com<p>Serum samples were collected from patients and stored at −80 °C until metabolomic analysis. A quality control sample was prepared by pooling equal volumes of all processed samples.</p><p><br></p>MetabolomicsHigh Performance Liquid Chromatography Mass SpectrometryCachexiaLocally Advanced AdenocarcinomaHigh Performance Liquid Chromatography Mass SpectrometryCachexiaLocally Advanced Adenocarcinoma<p>Mass spectrometric detection was carried out using an Orbitrap Exploris 120 high-resolution mass spectrometer equipped with an electrospray ionization source. The sheath gas flow rate was set to 50 Arb and the auxiliary gas flow rate to 15 Arb, with a capillary temperature of 320 °C. Full-scan MS spectra were acquired at a resolution of 60,000, and data-dependent MS/MS spectra were obtained at a resolution of 15,000 using normalized collision energies of 10, 30, and 60. The spray voltage was set to +3.8 kV in positive ion mode and −3.4 kV in negative ion mode.</p><p><br></p>falseMicrobiome and metabolome patterns centered on cancer cachexia link skeletal muscle and adipose tissue depletion to clinical outcomes in locally advanced rectal cancer<p>This study employed untargeted serum metabolomics to delineate the specific metabolic landscape of cancer cachexia in patients with locally advanced rectal cancer. By analyzing LC-MS raw data from 133 patients (64 discovery, 69 validation), we identified and validated key cachexia-associated metabolites, including lithocholic acid and cortisone. These metabolites were closely linked to gut microbial dysbiosis and loss of skeletal muscle and adipose tissue, collectively defining a cachexia-associated gut microbiome–metabolome–host tissue axis. This dataset provides essential molecular-level support for understanding the metabolic basis of cachexia and its inter-individual heterogeneity in clinical outcomes.</p>2026-05-092026-01-28MTBLS13787