MetaboAnnotation toolbox implemented with the R software. Each ion was identified by combining retention time (RT) and m/z data. Intensities of each peaks were recorded and a three dimensional matrix containing arbitrarily assigned peak indices (retention time-m/z pairs), sample names (observations) and ion intensity information (variables) was generated.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - positive - hilic","Liquid Chromatography MS - negative - hilic"],"chromatography_protocol":["Supernatants were transferred to 96-well plates, and pooled quality control (QC) samples were prepared by mixing 10 μL from each sample. All extracts were stored at –80°C until LC–MS/MS analysis. Chromatographic separation was performed using a SCIEX UHPLC system equipped with an ACQUITY UPLC T3 column (100 mm × 2.1 mm, 1.8 μm; Waters, UK) at 35°C, flow rate 0.4 mL/min. Mobile phases: A, water with 1% formic acid; B, acetonitrile with 1% formic acid. Gradient: 0–0.5 min, 5% B; 0.5–7 min, 5–100% B; 7–8 min, 100% B; 8–8.1 min, 100–5% B; 8.1–10 min, 5% B. Mass spectrometry was conducted on a TripleTOF 5600plus (SCIEX, UK) in both positive and negative ion modes using information-dependent acquisition (IDA) with a full scan range of 60–1200 Da (150 ms) and fragmentation of the top 12 ions per cycle. Source parameters: curtain gas, 30 psi; gas 1 and gas 2, 60 psi; temperature, 650°C; +5000 V (positive) / –4500 V (negative). Declustering potential was applied with 60 V (+) and − 60 V (−) and collision energy was set as 50 V (+) and − 20 V (−). QC samples were injected every 10 runs, and instrument calibration was performed every 20 samples.
"],"publication":["Differentiating Hemorrhagic Shock and Organophosphate Poisoning through Integrated Skin Microbiome–Metabolome Signatures."],"submitter_name":["Zhilong Chen"],"submitter_affiliation":["Jinan University"],"organism_part":["Face"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Samples were mixed with 120 μL of 80% methanol, vortexed thoroughly, and incubated at room temperature for 10 min. Extracts were stored at –20°C overnight to precipitate proteins, then centrifuged at 4000 × g for 20 min.
"],"organism":["Mus musculus"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS14219"],"author":["Wang Shujuan. Department of Forensic Science. Department of Forensic Science, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, China. 2532617456@qq.com.","Liu Chao. Anti-Drug Technology Center of Guangdong Province. Anti-Drug Technology Center of Guangdong Province (National Anti-Drug Laboratory Guangdong Regional Center), Guangdong Provincial Key Laboratory of Psychoactive Substances Monitoring and Safety, Guangzhou 510230, China. liuchaogdjd@163.com.","Li Qi. Sun Yat-Sen University. Faculty of Forensic Medicine, Zhongshan School of Medicine, Sun Yat-Sen University & Guangdong Province Translational Forensic Medicine Engineering Technology Research Center, Guangzhou 510080, China.. liqi66@mail2.sysu.edu.cn.","Chen Lin. lingpzy@163.com.","Zhao Jian. Ministry of Public Security. Guangzhou Forensic Science Institute & Key Laboratory of Forensic Pathology. zhaojian0721@163.com.","Kang Xiaodong.","Zhao Hu. Sun Yat-Sen University. Faculty of Forensic Medicine, Zhongshan School of Medicine, Sun Yat-Sen University & Guangdong Province Translational Forensic Medicine Engineering Technology Research Center, Guangzhou 510080, China.. zhaohu3@mail.sysu.edu.cn.","Su Qin. Guangzhou Forensic Science Institute. Guangzhou Forensic Science Institute & Key Laboratory of Forensic Pathology, Ministry of Public Security. qinsu1359@163.com.","Xu Quyi."],"data_transformation_protocol":["Raw data were converted to mzXML format using ProteoWizard MSConvert and processed with XCMS for peak detection and alignment. CAMERA was used for isotope and adduct annotation.
"],"study_factor":["Cause of death"],"submitter_email":["chenzhilong@foxmail.com"],"sample_collection_protocol":["Six samples were collected from each group at three postmortem intervals (PMIs): 2 days, 8 days, and 16 days, corresponding to the bloating stage (BS), active decomposition stage (AcD), and advanced decomposition stage (AdD), respectively. Facial skin swabs were collected using sterile disposable swabs, which were immediately transferred into pre-labeled cryotubes and stored in liquid nitrogen (–196°C) until further analysis.
"],"omics_type":["Metabolomics"],"study_design":["Metabolomics","Mus musculus","organophosphate poisoning","untargeted analysis","biomarker","Hemorrhagic Shock","Cause of Death","experimental sample","Thermo Scientific Dionex Ultimate 3000 UHPLC system","experimental blank","quality check compound signal","Face","AB SCIEX TripleTOF 6600"],"curator_keywords":["Metabolomics","Mus musculus","organophosphate poisoning","untargeted analysis","biomarker","Hemorrhagic Shock","Cause of Death","experimental sample","Thermo Scientific Dionex Ultimate 3000 UHPLC system","experimental blank","quality check compound signal","Face","AB SCIEX TripleTOF 6600"],"mass_spectrometry_protocol":["Mass spectrometry was conducted on a TripleTOF 5600plus (SCIEX, UK) in both positive and negative ion modes using information-dependent acquisition (IDA) with a full scan range of 60–1200 Da (150 ms) and fragmentation of the top 12 ions per cycle. Source parameters: curtain gas, 30 psi; gas 1 and gas 2, 60 psi; temperature, 650°C; +5000 V (positive) / –4500 V (negative). Declustering potential was applied with 60 V (+) and − 60 V (−) and collision energy was set as 50 V (+) and − 20 V (−). QC samples were injected every 10 runs, and instrument calibration was performed every 20 samples.
"],"metabolite_name":["Taurine","N-Palmitoyl Leucine","9-(2,3-dihydroxypropoxy)-9-oxononanoic acid","Dihydroxyacetone","N-Acetyl-L-phenylalanine","alpha-Carboxy-delta-decalactone","FA 18:2+3O","Traumatic acid","d-Tryptophan","3-Hydroxyglutaric acid","N-Acetyl-L-aaline","5(S)-Hpete","LPE O-18:1","LPE O-18:2","2-Hydroxyethanesulfonate","C11-LAS (SAMPLE)","N-Oleoyl Glycine","PE(18:1(9Z)/0:0)","9(Z),11(E)-Conjugated Linoleic Acid","N-Oleoyl phenylalanine","gamma-Glutamylleucine","Taurocholic acid","Terephthalic acid","N-lactoyl-phenylalanine","Oxoproline","Diethyl succinate","Citrulline","10-Acetoxyoleuropein","9-HpOTrE","Diethyl sulfate","Octadecanedioic acid","3-Amino-Beta-Pinene","C11-Las (Standard Mix)","12,13-EODE","13(S)-HpODE","2-Ethylbutanedioic acid","DL-12-hydroxy stearic acid","7-[(1R,2R,3R)-3-Hydroxy-2-[(3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid","N-oleoyl taurine","Sodium Tetradecyl Sulfate","Succinic anhydride","N-Oleyl-Leucine","Linoleoyl glycine","2-hydroxyhexadecanoic acid","13-HOTrE","Acetylenedicarboxylic acid","glutamine","1,4-Cyclohexanedicarboxylic acid","9-OxoOTrE","13-HpOTrE(r)","N-Formylglycine","D-Norvaline","Pyroglutamic acid","2,4,6-Trichlorophenol","Decylbenzenesulfonic acid","2,4-dihydroxyheptadec-16-ynyl acetate","C75","C12-Ae1S (Tentative)","Phenylalanine","Leucylleucine","Ethyl hydrogen sulfate","Oleyl sarcosine","Aspartate","N-Acetylisoleucine","Xanthine","2-Methylglutaric acid","Lauryl sulfate","N-Palmitoyl Glycine","Gingerol","N-Linoleoyl Valine","N-Acetylleucine","trans-EKODE-(E)-Ib","13-epi-12-oxo Phytodienoic Acid","2-Ethyl-2-Hydroxybutyric acid","Bromomethane","2-[(2-hydroxy-3-methylbutanoyl)amino]-4-methylpentanoic acid","Pantothenic acid","Indole-3-methanamine","MEHP","N-Acetyl-L-methionine","2,6-Di-tert-butyl-4-nitrophenol","PE(17:1/0:0)","PE(16:1/0:0)","Hydroxyphenyllactate","LPE O-16:1","3-Oxocholic acid","PE(19:1/0:0)","Saccharin","Decanedioic acid","Sebacate","L-Alanine","N-Palmitoyl Valine","Cyclohomonervilasterol_Cyclohomonervilasterol","Malic acid","Suberate","9,10-EODE","PE(18:2/0:0)","LPC 16:0","FA 18:1+3O","Methyl-9-hydroperoxy-delta10E,12Z-octadecadienoate","FA 18:4+2O","5-Methylpyrazine-2-carboxylic Acid","N(5)-Acetylornithine","epsilon-(gamma-Glutamyl)lysine","Azelate","Indole-3-lactic acid","Bis(2-ethylhexyl) hydrogen phosphate","Isocurcumenol","Dinoterb","N-Glycyl-L-leucine","p-Toluenesulfonic acid","N-Linoleoyl Isoleucine","15-OxoEDE","4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid","Serine","9-Oxoode","6,8-Dihydroxypurine","Diethyl phthalic acid","2-hydroxy-2-methyl-butyric acid","15-Oxoete","Urocanate","DL-p-Hydroxyphenyllactic acid","4-pentyn-1-ol","D-Glutamic acid","9-Oxo-11-(3-pentyloxiran-2-yl)undec-10-enoic acid","N-Acetyl-L-leucine","16-hydroxypalmitic acid","FA 9:2+1O","Threonic acid","13(S)-HODE","Diisopropylphosphate","2,3-Dihydro-4-methylfuran","15-keto-Prostaglandin E2","5-Hydroxy-L-tryptophan","L-(-)-3-Phenyllactic acid"],"additional_accession":[]},"is_claimable":false,"name":"Differentiating Hemorrhagic Shock and Organophosphate Poisoning through Integrated Skin Microbiome–Metabolome Signatures","description":"Accurate determination of cause of death and estimation of postmortem interval (PMI) are critical yet challenging tasks in forensic science, particularly in cases with rapid demise and minimal gross findings. We employed an integrative multi-omics approach to characterize postmortem microbial succession and metabolic alterations on facial skin in mouse models of hemorrhagic shock (HS) and organophosphorus poisoning (OP) across three decomposition stages: bloating (2 days), active decay (8 days), and advanced decay (16 days). Metagenomic profiling revealed significantly reduced α-diversity in HS compared with OP throughout all stages (p < 0.001), accompanied by stage-dependent compositional shifts, including early enrichment of Firmicutes in HS and Proteobacteria in OP. A total of 237 differential taxa were identified, with Providencia and Morganella predominating in OP, whereas Staphylococcus and Corynebacterium dominated bloating stage of HS. Untargeted metabolomics uncovered distinct cause-of-death–linked metabolites, notably elevated 2′-deoxycytidine-5′-diphosphate in early OP and persistent cholic acid/cholate accumulation in HS at later PMI. Functional analysis highlighted histidine and phosphate/phosphonate metabolism as key discriminatory pathways, exhibiting stage-specific oscillations and strong correlations with characteristic taxa. These findings demonstrate that skin-based metagenomic–metabolomic integration provides robust, mechanistically informed biomarkers for both PMI estimation and cause-of-death differentiation, offering a minimally invasive and temporally dynamic tool for forensic investigations.
","dates":{"publication":"2026-06-01","submission":"2026-04-04"},"accession":"MTBLS14219","cross_references":{"MetaboLights":["MTBLC39547","MTBLC145273","MTBLC28300"],"ChEBI":["CHEBI:39547","CHEBI:145273","CHEBI:28300"]}}