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the same time, the metabolites were identified by searching database, and the main databases were the HMDB (http://www.hmdb.ca/), Metlin ( https://metlin.scripps.edu/) and the self-compiled Majorbio Database (MJDB) of Majorbio Biotechnology Co., Ltd. (Shanghai, China)&lt;/p></metabolite_identification_protocol><repository>MetaboLights</repository><study_status>Public</study_status><ptm_modification></ptm_modification><instrument_platform>Liquid Chromatography MS - negative - reverse-phase</instrument_platform><instrument_platform>Liquid Chromatography MS - positive - reverse-phase</instrument_platform><chromatography_protocol>&lt;p>The LC-MS/MS analysis of sample was conducted on a UHPLC-Orbitrap Exploris 480 system equipped with an ACQUITY HSS T3 column (100 mm × 2.1 mm i.d., 1.8 μm; Waters, USA) at Majorbio Bio-Pharm Technology Co. Ltd. (Shanghai, China). The mobile phases consisted of 0.1% formic acid in water:acetonitrile (2:98, v/v) (solvent A) and 0.1% formic acid in acetonitrile (solvent B). The flow rate was 0.40 mL/min and the column temperature was 40℃. The injection volume was 5 μL.&lt;/p></chromatography_protocol><publication>Longitudinal metabolomics reveals temporal signatures and predictive biomarkers of sepsis-induced liver injury.</publication><submitter_name>Dong Leng</submitter_name><submitter_affiliation>Nanjing Agricultural University</submitter_affiliation><organism_part>blood plasma</organism_part><technology_type>mass spectrometry assay</technology_type><disease></disease><extraction_protocol>&lt;p>100 μL liquid sample was added to a 1.5 mL centrifuge tube with 800 μL solution (acetonitrile: methanol = 1:1(v:v)) containing four internal standards (0.02 mg/mL L-2-chlorophenylalanine, etc.) to extract metabolites. The samples were mixed by vortex for 30 s and low-temperature sonicated for 30 min (5°C, 40 KHz). The samples were placed at-20°C for 30 min to precipitate the proteins. Then the samples were centrifuged for 15 min (4°C, 13000 g). The supernatant was removed and blown dry under nitrogen. The sample was then re-solubilized with 100 µL solution (acetonitrile: water = 1:1) and extracted by low-temperature ultrasonication for 5 min (5°C, 40 KHz), followed by centrifugation at 13000 g and 4°C for 10 min.The supernatant was transferred to sample vials for LC-MS/MS analysis.&lt;/p></extraction_protocol><organism>reference compound</organism><organism>Homo sapiens</organism><full_dataset_link>https://www.ebi.ac.uk/metabolights/MTBLS14459</full_dataset_link><author>Dong Leng. ld896847876@163.com.</author><author>Liu Huang. Department of Emergency, Ruijin Hospital, Shanghai Jiao Tong University School of Medicine, Shanghai, 200025, China.. 18740359770@163.com.</author><data_transformation_protocol>&lt;p>The pretreatment of LC/MS raw data was performed by Progenesis QI (Waters Corporation, Milford, USA) software, and a three-dimensional data matrix in CSV format was exported. The information in this three-dimensional matrix included: sample information, metabolite name and mass spectral response intensity. Internal standard peaks, as well as any known false positive peaks (including noise, column bleed, and derivatized reagent peaks), were removed from the data matrix, deredundant and peak pooled.&lt;/p></data_transformation_protocol><study_factor>Experimental</study_factor><submitter_email>ld896847876@163.com</submitter_email><sample_collection_protocol>&lt;p>Blood samples from sepsis patients were collected from the Ruijin Hospital. The cohort included 17 sepsis patients, including 9 with liver injury and 8 without liver injury and&amp;nbsp;20 healthy controls. Human blood samples were collected from&amp;nbsp;sepsis patients at four time points (Days 1, 3, 7, and 14 in the ICU). The Ethics Institutional Review Board of Ruijin Hospital, Shanghai Jiao Tong University School of Medicine approved all human studies conducted in this research, with clinical ethical approval (K2025-91). In compliance with the principles of the Declaration of Helsinki and under the supervision of the ethics committee of&amp;nbsp;Shanghai Jiao Tong University School of Medicine, human blood samples were collected and utilized with informed consent obtained from all participants. Sepsis was determined using Sepsis-3 criteria, with organ dysfunction defined as a SOFA score of 2 or more points. To account for the pathophysiologic alterations in sepsis, we applied Modified Drug-Induced Liver Injury (DILI) Criteria to identify sepsis patients with liver injury within the first day after sepsis diagnosis (i.e., upon the first fulfilment of Sepsis-3 criteria). sepsis patients with liver injury was considered present if at least one of the following conditions was met: an ALT level of at least five times the upper limit of normal (ULN); an ALP level of at least twice the ULN; a combination of serum total bilirubin of at least 2.0 mg/dL and ALT at least three times the ULN; or a combination of serum total bilirubin of at least 2.0 mg/dL and ALP at or above the ULN.&lt;/p></sample_collection_protocol><omics_type>Metabolomics</omics_type><study_design>Metabolomics</study_design><study_design>reference compound</study_design><study_design>blood plasma</study_design><study_design>untargeted analysis</study_design><study_design>Ultra High Performance Liquid Chromatography/Accelerator Mass Spectrometry</study_design><study_design>Homo sapiens</study_design><study_design>liver disorder</study_design><study_design>Thermo Electron PolarisQ</study_design><study_design>sepsis</study_design><study_design>reference compound mix</study_design><study_design>untargeted metabolite profiling</study_design><study_design>experimental sample</study_design><curator_keywords>Metabolomics</curator_keywords><curator_keywords>reference compound</curator_keywords><curator_keywords>blood plasma</curator_keywords><curator_keywords>untargeted analysis</curator_keywords><curator_keywords>Ultra High Performance Liquid Chromatography/Accelerator Mass Spectrometry</curator_keywords><curator_keywords>Homo sapiens</curator_keywords><curator_keywords>liver disorder</curator_keywords><curator_keywords>Thermo Electron PolarisQ</curator_keywords><curator_keywords>sepsis</curator_keywords><curator_keywords>reference compound mix</curator_keywords><curator_keywords>untargeted metabolite profiling</curator_keywords><curator_keywords>experimental sample</curator_keywords><mass_spectrometry_protocol>&lt;p>The UPLC system was coupled to a UHPLC-Orbitrap Exploris 480 system Mass Spectrometer equipped with an electrospray ionization (ESI) source operating in positive mode and negative mode. The optimal conditions were set as followed: source temperature at 400℃ ; sheath gas flow rate at 40 arb; Aux gas flow rate at 10 arb; ion-spray voltage floating (ISVF) at-2800V in negative mode and 3500V in positive mode, respectively; Normalized collision energy , 20-40-60V rolling for MS/MS. Data acquisition was performed with the Data Dependent Acquisition (DDA) mode. The detection was carried out over a mass range of 70-1050 m/z.&lt;/p></mass_spectrometry_protocol></additional><is_claimable>false</is_claimable><name>Metabolic Database of Sepsis</name><description>SepsisLiMetDB is a curated metabolomics database characterizing sepsis-induced liver injury, comprising 2,894 metabolites identified from 88 longitudinal clinical samples (20 healthy controls, 36 sepsis without liver injury, 32 sepsis with liver injury) across four disease progression timepoints (D1/D3/D7/D14).</description><dates><publication>2026-08-03</publication><submission>2026-05-08</submission></dates><accession>MTBLS14459</accession><cross_references/></HashMap>