<HashMap><database>MetaboLights</database><file_versions><headers><Content-Type>application/xml</Content-Type></headers><body><files><Tabular>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/m_MTBLS14147_GC-MS_negative_high-polarity_v2_maf.tsv</Tabular><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/a_MTBLS14147_GC-MS_negative_high-polarity.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/i_Investigation.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/s_MTBLS14147.txt</Txt><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/AM_AR113_0187_1.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/1AM_AR1131.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/1AP3.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/2AP2.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/2AP5.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/2AP3.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/2AM_AR1133.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/AM_AR113_0187_4.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/Con3.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/1AM_AR1134.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/2AP1.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/2AM_AR1131.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/Con1.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/1AP1.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/Con4.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/AM_AR113_0187_3.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/1AM_AR1133.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/1AM_AR1132.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/Con5.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/1AP5.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/2AM_AR1135.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/AM_AR113_0187_5.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/1AM_AR1135.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/1AP2.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/2AM_AR1132.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/Con2.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/AM_AR113_0187_2.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/1AP4.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/2AM_AR1134.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147/FILES/DERIVED_FILES/2AP4.mzML</Mzml></files><type>primary</type></body><statusCode>OK</statusCode><statusCodeValue>200</statusCodeValue></file_versions><scores/><additional><ftp_download_link>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14147</ftp_download_link><metabolite_identification_protocol>&lt;p>&amp;nbsp;Compound identification was based on accurate mass (error &amp;lt;5 ppm), MS/MS fragmentation, retention time matching with standards, and literature comparison.&lt;/p></metabolite_identification_protocol><repository>MetaboLights</repository><study_status>Public</study_status><ptm_modification></ptm_modification><instrument_platform>Gas Chromatography MS - negative - high-polarity</instrument_platform><chromatography_protocol>&lt;p>Untargeted metabolomic profiling was conducted on a Vanquish UHPLC system (Thermo Fisher Scientific, USA) coupled to an Orbitrap Exploris 120 high-resolution mass spectrometer equipped with an electrospray ionization (ESI) source. Chromatographic separation was carried out on an ACQUITY UPLC HSS T3 column (2.1 mm × 100 mm, 1.8 μm; Waters, USA) maintained at 35 °C. The mobile phase consisted of 0.1% aqueous formic acid (A) and methanol (B) at a flow rate of 0.4 mL/min. The gradient program was as follows: 0–3 min, 5–10% B; 3–10 min, 10–30% B; 10–20 min, 30–40% B; 20–30 min, 40–100% B; 30–32 min, 100% B; and 33–38 min, 5% B for column re-equilibration. The column temperature was maintained at 35 °C, and the injection volume was 4 µL.&lt;/p></chromatography_protocol><publication>Synbiotic microcapsules delivering Lactiplantibacillus Plantarum AR113 protect against acute pancreatitis via acetate-mediated modulation of the gut-pancreas axis.</publication><submitter_name>Duo Keai</submitter_name><submitter_affiliation>Peking University</submitter_affiliation><organism_part>feces</organism_part><technology_type>mass spectrometry assay</technology_type><disease></disease><extraction_protocol>&lt;p>For sample preparation, capsule contents (0.5 g) from each batch were accurately weighed into a 50 mL centrifuge tube, mixed with 20 mL of 70% aqueous methanol, and ultrasonically extracted at 35 °C for 60 min. After centrifugation, the supernatant was collected. All solutions were stored at 4 °C in the dark until analysis.&lt;/p></extraction_protocol><organism>Mus musculus</organism><full_dataset_link>https://www.ebi.ac.uk/metabolights/MTBLS14147</full_dataset_link><author>Wei Xiao. University of Shanghai for Science and Technology. xiao18678170427@163.com.</author><author>Yue Zeng. Shanghai Jiao Tong University School of Medicine. carrie_1004@sjtu.edu.cn.</author><data_transformation_protocol>&lt;p>raw MS data were processed using Compound Discoverer 3.4 for feature extraction and alignment.&lt;/p></data_transformation_protocol><study_factor>Group</study_factor><submitter_email>keaiduoduo998@126.com</submitter_email><sample_collection_protocol>&lt;p>Ten batches of HZXL were kindly provided by Taihe Hospital of Traditional Chinese Medicine (Fuyang, China), with batch numbers 21060901, 21071201, 21081601, 21082301, 22072801, 22062901, 21081801, 22093001, 22112501, and 22121701&lt;/p></sample_collection_protocol><omics_type>Metabolomics</omics_type><study_design>Gut microbiota</study_design><study_design>Metabolomics</study_design><study_design>metabolite profiling assay</study_design><study_design>Mus musculus</study_design><study_design>Acute pancreatitis</study_design><study_design>Agilent 5977B MSD</study_design><study_design>Acetate</study_design><study_design>Synbiotic microcapsule</study_design><study_design>feces</study_design><study_design>Lactiplantibacillus plantarum</study_design><study_design>Agilent 8890 GC</study_design><study_design>experimental sample</study_design><curator_keywords>Gut microbiota</curator_keywords><curator_keywords>Metabolomics</curator_keywords><curator_keywords>Mus musculus</curator_keywords><curator_keywords>metabolite profiling assay</curator_keywords><curator_keywords>Acute pancreatitis</curator_keywords><curator_keywords>Agilent 5977B MSD</curator_keywords><curator_keywords>Acetate</curator_keywords><curator_keywords>Synbiotic microcapsule</curator_keywords><curator_keywords>feces</curator_keywords><curator_keywords>Agilent 8890 GC</curator_keywords><curator_keywords>Lactiplantibacillus plantarum</curator_keywords><curator_keywords>experimental sample</curator_keywords><mass_spectrometry_protocol>&lt;p>Mass spectrometric detection was performed in both positive and negative ionization modes over a full scan range of m/z 150–1500. The ESI source parameters were optimized as follows: spray voltage, 3.5 kV in positive mode and 2.5 kV in negative mode; sheath gas pressure, 50 arbitrary units; auxiliary gas pressure, 12 arbitrary units; ion transfer tube temperature, 325 °C; and vaporizer temperature, 350 °C. Data-dependent MS/MS acquisition was performed for structural elucidation using a normalized collision energy of 30%. Instrument control and data acquisition were managed by Xcalibur software (version 4.1, Thermo Fisher Scientific).Untargeted metabolomic profiling was conducted on a Vanquish UHPLC system (Thermo Fisher Scientific, USA) coupled to an Orbitrap Exploris 120 high-resolution mass spectrometer equipped with an electrospray ionization (ESI) source.&lt;/p></mass_spectrometry_protocol><metabolite_name>Isobutyric acid</metabolite_name><metabolite_name>Valeric acid</metabolite_name><metabolite_name>Isohexanoic acid</metabolite_name><metabolite_name>Isovaleric acid</metabolite_name><metabolite_name>Butanoic acid</metabolite_name><metabolite_name>Hexanoic acid</metabolite_name><metabolite_name>Acetic acid</metabolite_name><metabolite_name>Propanoic acid</metabolite_name></additional><is_claimable>false</is_claimable><name>Synbiotic microcapsules delivering Lactiplantibacillus Plantarum AR113 protect against acute pancreatitis via acetate-mediated modulation of the gut-pancreas axis</name><description>AM-AR113 protects against AP by improving gut microbial composition, enhancing microbial acetate production, promoting intestinal barrier integrity, and suppressing pancreatic M1 macrophage polarization.</description><dates><publication>2026-03-26</publication><submission>2026-03-26</submission></dates><accession>MTBLS14147</accession><cross_references><HMDB>HMDB0000042</HMDB><HMDB>HMDB0000237</HMDB><HMDB>HMDB0000039</HMDB><HMDB>HMDB0001873</HMDB><HMDB>HMDB0000892</HMDB><HMDB>HMDB0000718</HMDB><HMDB>HMDB0000535</HMDB><HMDB>HMDB0000689</HMDB></cross_references></HashMap>