<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/MTBLS15318/m_MTBLS15318_LC-MS_negative_reverse-phase_v2_maf.tsv</Tabular><Tabular>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/m_MTBLS15318_LC-MS_positive_reverse-phase_v2_maf.tsv</Tabular><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/a_MTBLS15318_LC-MS_positive_reverse-phase.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/a_MTBLS15318_LC-MS_negative_reverse-phase.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/s_MTBLS15318.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/i_Investigation.txt</Txt><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/pos/znu1.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/neg/znu1.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/pos/znu5.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/neg/Con4.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/neg/znu5.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/pos/znu2.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/pos/Con3.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/pos/Con5.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/neg/Con5.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/neg/znu2.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/pos/znu6.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/neg/znu6.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/pos/Con4.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/pos/Con2.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/neg/Con2.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/pos/Con6.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/neg/znu3.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/neg/Con6.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/neg/Con1.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/neg/Con3.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/neg/znu4.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/pos/znu4.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/pos/Con1.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318/FILES/RAW_FILES/pos/znu3.raw</Raw></files><type>primary</type></body><statusCodeValue>200</statusCodeValue><statusCode>OK</statusCode></file_versions><scores/><additional><ftp_download_link>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15318</ftp_download_link><metabolite_identification_protocol>&lt;p>Feature annotation was performed using MS-DIAL (version 4.9) with its built-in lipidomics database. Identification was based on accurate precursor m/z (tolerance&amp;nbsp;0.01 Da), MS/MS spectral matching (tolerance&amp;nbsp;0.05 Da), and retention time alignment. Putative annotations were cross-referenced against LIPID MAPS and HMDB. Lipid classes were assigned according to characteristic fragmentation patterns and class-specific retention time behavior.&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>Lipid separation was performed on an ACQUITY UPLC I-Class system (Waters) equipped with an ACQUITY UPLC BEH C18 column (1.7 μm, 2.1 × 100 mm, Waters). Mobile phase A was acetonitrile/water (60:40, v/v) containing 10 mM ammonium formate and 0.1% formic acid. Mobile phase B was isopropanol/acetonitrile (90:10, v/v) containing 10 mM ammonium formate and 0.1% formic acid. The gradient program was as follows: 0–2 min, 30% B; 2–2.5 min, 30–45% B; 2.5–12 min, 45–65% B; 12–18 min, 65–85% B; 18–20 min, 85–100% B; 20–22 min, 100% B; 22–22.1 min, 100–30% B; 22.1–25 min, 30% B. The column temperature was 45 °C, the flow rate was 0.3 mL/min, the injection volume was 3 μL, and the autosampler temperature was 4 °C.&lt;/p></chromatography_protocol><publication>Original data of bacterial antibiotic resistance lipidomics.</publication><submitter_name>wei liu</submitter_name><submitter_affiliation>yangzhou university</submitter_affiliation><organism_part>Bacterial cell pellet</organism_part><technology_type>mass spectrometry assay</technology_type><disease></disease><extraction_protocol>&lt;p>Frozen cell pellets were thawed on ice. Lipids were extracted using a modified Bligh-Dyer method: samples were resuspended in ice-cold methanol, followed by addition of chloroform and water to achieve a final ratio of 2:1:0.8 (v/v/v). The mixture was vortexed vigorously and incubated at room temperature for 30 min. After centrifugation (12,000 × g, 10 min, 4 °C), the lower organic phase was collected and dried under nitrogen. The dried extracts were reconstituted in chloroform/methanol (1:2, v/v) for LC-MS analysis.&lt;/p></extraction_protocol><organism>Salmonella enterica</organism><full_dataset_link>https://www.ebi.ac.uk/metabolights/MTBLS15318</full_dataset_link><author>jinju cai. Yangzhou University. 1830268431@qq.com.</author><author>yuan liu. Yangzhou University. liuyuan2018@yzu.edu.cn.</author><data_transformation_protocol>&lt;p>Raw data files were converted to the open-source mzML format using ProteoWizard msConvert (version 3.0.19), with vendor-specific peak picking enabled. Subsequent data processing, including peak detection, alignment, and normalization, was performed using MS-DIAL (version 4.9) or MZmine 2 (version 2.53).&lt;/p></data_transformation_protocol><study_factor>Group</study_factor><submitter_email>lw15264770396@163.com</submitter_email><sample_collection_protocol>&lt;p>Salmonella was cultured in LB broth at 37 °C with shaking to mid-log phase (OD600&amp;nbsp;0.6–0.8). Cells were harvested by centrifugation (4,000 × g, 10 min, 4 °C), washed twice with ice-cold PBS, flash-frozen in liquid nitrogen, and stored at 80 °C until analysis.&lt;/p></sample_collection_protocol><omics_type>Metabolomics</omics_type><study_design>targeted analysis</study_design><study_design>untargeted analysis</study_design><study_design>Waters ACQUITY UPLC I-Class System</study_design><study_design>Xevo G2-XS Q-TOF</study_design><study_design>Lipidomics</study_design><study_design>antibiotic adjuvant</study_design><study_design>ZnuB</study_design><study_design>resistance</study_design><study_design>Salmonella enterica</study_design><study_design>Bacterial culture</study_design><study_design>Bacterial cell pellet</study_design><study_design>Gram-negative bacteria</study_design><study_design>colistin</study_design><curator_keywords>targeted analysis</curator_keywords><curator_keywords>untargeted analysis</curator_keywords><curator_keywords>Waters ACQUITY UPLC I-Class System</curator_keywords><curator_keywords>Xevo G2-XS Q-TOF</curator_keywords><curator_keywords>Lipidomics</curator_keywords><curator_keywords>antibiotic adjuvant</curator_keywords><curator_keywords>ZnuB</curator_keywords><curator_keywords>resistance</curator_keywords><curator_keywords>Salmonella enterica</curator_keywords><curator_keywords>Bacterial culture</curator_keywords><curator_keywords>Bacterial cell pellet</curator_keywords><curator_keywords>Gram-negative bacteria</curator_keywords><curator_keywords>colistin</curator_keywords><mass_spectrometry_protocol>&lt;p>Mass spectrometry was performed on a Xevo G2-XS Q-TOF mass spectrometer (Waters) equipped with an electrospray ionization (ESI) source. Data were acquired in both positive and negative ionization modes over a mass range of m/z 100–2000. The ion source parameters were as follows: capillary voltage, +2.5 kV (positive) and 2.5 kV (negative); sampling cone voltage, 40 V; source temperature, 120 °C; desolvation temperature, 500 °C; cone gas flow, 50 L/h; desolvation gas flow, 800 L/h. The scan time was 0.2 s with a centroid data format, and collision energy for MS/MS was ramped from 20 to 40 eV.&lt;/p></mass_spectrometry_protocol><metabolite_name>Co(Q9)</metabolite_name><metabolite_name>DG(O-17:3_16:0)</metabolite_name><metabolite_name>Hex1Cer(d22:4)</metabolite_name><metabolite_name>PC(17:1_16:0)</metabolite_name><metabolite_name>Cer(t21:0_17:0)</metabolite_name><metabolite_name>LBPA(14:0_16:0)</metabolite_name><metabolite_name>DG(O-35:8)</metabolite_name><metabolite_name>PE(11:0COOH_17:1)</metabolite_name><metabolite_name>Cer(d20:1_9:0)</metabolite_name><metabolite_name>LBPA(16:1_16:1)</metabolite_name><metabolite_name>DG(O-15:0)</metabolite_name><metabolite_name>PE(12:0_18:1)</metabolite_name><metabolite_name>DG(O-36:4)</metabolite_name><metabolite_name>PE(15:0_19:2COOH)</metabolite_name><metabolite_name>CL(42:12CHO_16:0)</metabolite_name><metabolite_name>Cer(m33:4)</metabolite_name><metabolite_name>Cer(d16:0_18:3)</metabolite_name><metabolite_name>DG(O-17:3_16:1)</metabolite_name><metabolite_name>PE(16:0_19:2COOH)</metabolite_name><metabolite_name>CL(71:2CHOCOOH)</metabolite_name><metabolite_name>FA(17:1)</metabolite_name><metabolite_name>DG(O-15:1_34:1)</metabolite_name><metabolite_name>CL(66:2)</metabolite_name><metabolite_name>PC(O-12:1_18:1)</metabolite_name><metabolite_name>PC(17:5COOH_15:0)</metabolite_name><metabolite_name>Cer(m20:0_16:0)</metabolite_name><metabolite_name>CL(20:0CHO_16:0_17:1_18:1COOH)</metabolite_name><metabolite_name>PE(15:0_17:1)</metabolite_name><metabolite_name>DG(46:11)</metabolite_name><metabolite_name>PC(17:1_20:1COOH)</metabolite_name><metabolite_name>Cer(d20:2_16:0)</metabolite_name><metabolite_name>DG(O-36:3)</metabolite_name><metabolite_name>DG(O-17:1_18:2)</metabolite_name><metabolite_name>PC(P-12:1_14:0)</metabolite_name><metabolite_name>CL(66:3)</metabolite_name><metabolite_name>PC(17:5COOH_16:0)</metabolite_name><metabolite_name>LBPA(18:0_19:1)</metabolite_name><metabolite_name>Cer(d12:0_16:0)</metabolite_name><metabolite_name>PC(O-27:2_16:1)</metabolite_name><metabolite_name>PE(14:0_18:0CHO)</metabolite_name><metabolite_name>PC(32:1)</metabolite_name><metabolite_name>CL(14:0_16:0_17:1_18:1)</metabolite_name><metabolite_name>DG(O-48:15)</metabolite_name><metabolite_name>PC(48:2CHO)</metabolite_name><metabolite_name>DG(O-16:2_19:1)</metabolite_name><metabolite_name>PE(14:0_15:0)</metabolite_name><metabolite_name>Cer(d16:0_18:1)</metabolite_name><metabolite_name>FA(18:0)</metabolite_name><metabolite_name>LPE(18:1)</metabolite_name><metabolite_name>CL(67:1)</metabolite_name><metabolite_name>DG(O-40:11)</metabolite_name><metabolite_name>LBPA(17:1_19:1)</metabolite_name><metabolite_name>CL(16:0_18:1_18:1_18:1)</metabolite_name><metabolite_name>PC(32:2)</metabolite_name><metabolite_name>LBPA(16:1_17:1)</metabolite_name><metabolite_name>CL(22:4_16:0_19:1_20:1COOH)</metabolite_name><metabolite_name>DG(16:2)</metabolite_name><metabolite_name>LBPA(14:0_17:1)</metabolite_name><metabolite_name>Cer(m16:0_16:0)</metabolite_name><metabolite_name>Cer(d15:1_18:3)</metabolite_name><metabolite_name>PE(11:0COOH_16:0)</metabolite_name><metabolite_name>DG(O-15:1_32:2)</metabolite_name><metabolite_name>PC(16:2_15:2)</metabolite_name><metabolite_name>LPE(17:1)</metabolite_name><metabolite_name>LBPA(17:1_18:1)</metabolite_name><metabolite_name>PC(15:0_19:0CHO)</metabolite_name><metabolite_name>PE(14:1_17:1)</metabolite_name><metabolite_name>BisMePA(44:12)</metabolite_name><metabolite_name>PE(15:0_16:1)</metabolite_name><metabolite_name>DG(O-16:2_17:1)</metabolite_name><metabolite_name>Cer(t17:0_17:0)</metabolite_name><metabolite_name>CL(16:0_16:0_16:0_19:1)</metabolite_name><metabolite_name>CL(65:1)</metabolite_name><metabolite_name>PC(16:0_18:1COOH)</metabolite_name><metabolite_name>Co(Q6)</metabolite_name><metabolite_name>MG(O-24:5)</metabolite_name><metabolite_name>DG(O-16:2_30:1)</metabolite_name><metabolite_name>LPI(O-24:2)</metabolite_name><metabolite_name>PC(O-27:2_17:1)</metabolite_name><metabolite_name>Cer(d19:0_18:0)</metabolite_name><metabolite_name>DG(O-26:5)</metabolite_name><metabolite_name>BisMeLPA(22:3)</metabolite_name><metabolite_name>PE(15:0_16:0)</metabolite_name><metabolite_name>PC(18:3_15:2)</metabolite_name><metabolite_name>Cer(d16:0_17:1)</metabolite_name><metabolite_name>DG(O-37:4)</metabolite_name><metabolite_name>Co(Q7)</metabolite_name><metabolite_name>Cer(d18:0_16:0)</metabolite_name><metabolite_name>DG(O-48:12)</metabolite_name><metabolite_name>Cer(t17:0_17:1)</metabolite_name><metabolite_name>CerPE(d36:7)</metabolite_name><metabolite_name>CL(65:2)</metabolite_name><metabolite_name>PC(16:2_16:2)</metabolite_name><metabolite_name>PC(17:3_13:1)</metabolite_name><metabolite_name>DG(36:4)</metabolite_name><metabolite_name>CL(20:2_16:1_16:1_18:1)</metabolite_name><metabolite_name>Cer(d54:0)</metabolite_name><metabolite_name>PC(18:3_15:1)</metabolite_name><metabolite_name>CL(P-39:10_16:0)</metabolite_name><metabolite_name>PC(O-29:3_16:1)</metabolite_name><metabolite_name>PE(16:0COOH_18:1)</metabolite_name><metabolite_name>PC(O-12:1_17:1)</metabolite_name><metabolite_name>Co(Q8)</metabolite_name><metabolite_name>DG(O-37:3)</metabolite_name><metabolite_name>CL(57:9COOH_17:0COOH)</metabolite_name><metabolite_name>PA(O-33:6)</metabolite_name><metabolite_name>PC(48:1CHO)</metabolite_name><metabolite_name>CL(66:0)</metabolite_name><metabolite_name>PC(21:6COOH_19:1)</metabolite_name><metabolite_name>DG(O-17:1_4:0)</metabolite_name><metabolite_name>DG(O-15:1_11:1)</metabolite_name><metabolite_name>CL(66:2CHO)</metabolite_name><metabolite_name>PC(18:2_15:1)</metabolite_name><metabolite_name>Hex3Cer(d12:0_10:1)</metabolite_name><metabolite_name>LPC(18:0)</metabolite_name><metabolite_name>DG(O-15:1_22:1)</metabolite_name><metabolite_name>PC(18:4_19:1)</metabolite_name><metabolite_name>DG(O-46:13)</metabolite_name><metabolite_name>Cer(m18:0_16:0)</metabolite_name><metabolite_name>MePC(33:2)</metabolite_name><metabolite_name>DG(O-30:4_6:0)</metabolite_name><metabolite_name>PC(17:5COOH_18:0)</metabolite_name><metabolite_name>PC(31:1CHO)</metabolite_name><metabolite_name>DG(O-26:8)</metabolite_name><metabolite_name>PC(17:3_16:2)</metabolite_name><metabolite_name>DG(O-15:1_20:0)</metabolite_name><metabolite_name>MG(O-18:3)</metabolite_name><metabolite_name>BisMeLPA(21:3)</metabolite_name><metabolite_name>MG(10:3)</metabolite_name><metabolite_name>PE(16:0_18:1)</metabolite_name><metabolite_name>DG(19:0_18:3)</metabolite_name><metabolite_name>CL(22:6COOH_16:0_16:0_17:1)</metabolite_name><metabolite_name>CL(O-44:11_16:0_17:1)</metabolite_name><metabolite_name>PC(46:2CHO)</metabolite_name><metabolite_name>Cer(d16:0_16:1)</metabolite_name><metabolite_name>OAHFA(54:12)</metabolite_name><metabolite_name>PC(18:2_18:3COOH)</metabolite_name><metabolite_name>CL(22:4_16:0_17:1_18:1COOH)</metabolite_name><metabolite_name>LBPA(17:1_17:1)</metabolite_name><metabolite_name>DG(O-13:1_17:1)</metabolite_name><metabolite_name>DG(48:14)</metabolite_name><metabolite_name>DG(18:2_18:2)</metabolite_name><metabolite_name>PC(O-25:2_17:1)</metabolite_name><metabolite_name>PE(16:0_18:0)</metabolite_name><metabolite_name>DG(O-15:1_20:1)</metabolite_name><metabolite_name>PC(13:0CHO_17:1)</metabolite_name><metabolite_name>PC(19:3_17:2)</metabolite_name><metabolite_name>DG(P-25:7)</metabolite_name><metabolite_name>PE(14:0_17:1)</metabolite_name><metabolite_name>Cer(d16:0_16:0)</metabolite_name><metabolite_name>PC(36:0CHO)</metabolite_name><metabolite_name>Cer(m14:0_2:0)</metabolite_name><metabolite_name>CL(21:5COOH_16:0_17:1_19:1)</metabolite_name><metabolite_name>PC(10:3_14:0)</metabolite_name><metabolite_name>CL(16:0_16:0_17:1_19:1)</metabolite_name><metabolite_name>Cer(d18:0_17:1)</metabolite_name><metabolite_name>PE(11:0COOH_14:0)</metabolite_name><metabolite_name>MG(O-28:5)</metabolite_name><metabolite_name>PC(O-12:1_16:0)</metabolite_name><metabolite_name>DG(O-29:4_6:0)</metabolite_name><metabolite_name>CL(22:0CHO_16:0_17:1_20:1COOH)</metabolite_name><metabolite_name>DG(31:0)</metabolite_name><metabolite_name>PC(17:0COOH_16:0)</metabolite_name><metabolite_name>CL(16:0_17:1_18:1_19:1)</metabolite_name><metabolite_name>DG(O-15:1_32:1)</metabolite_name><metabolite_name>DG(O-38:4)</metabolite_name><metabolite_name>PC(16:2_15:1)</metabolite_name><metabolite_name>BisMePA(16:1_16:0)</metabolite_name><metabolite_name>CL(64:2)</metabolite_name><metabolite_name>Cer(d18:2_16:0)</metabolite_name><metabolite_name>PC(45:1CHO)</metabolite_name><metabolite_name>MG(O-17:3)</metabolite_name><metabolite_name>Cer(d17:0_16:0)</metabolite_name><metabolite_name>MG(O-17:1)</metabolite_name><metabolite_name>CL(16:0_17:1_18:1_18:1)</metabolite_name><metabolite_name>PC(14:0_17:0COOH)</metabolite_name><metabolite_name>DG(O-15:1_18:0)</metabolite_name><metabolite_name>DG(O-19:3_16:0)</metabolite_name><metabolite_name>PE(10:0COOH_16:0)</metabolite_name><metabolite_name>DG(O-29:4_7:0)</metabolite_name><metabolite_name>DG(O-30:3)</metabolite_name><metabolite_name>Cer(m12:0_16:0)</metabolite_name><metabolite_name>PC(O-12:1_14:0)</metabolite_name><metabolite_name>DG(O-28:6)</metabolite_name><metabolite_name>DG(18:1_18:2)</metabolite_name><metabolite_name>DG(O-27:3_7:0)</metabolite_name><metabolite_name>PC(17:1_21:6COOH)</metabolite_name><metabolite_name>PC(17:3_15:1)</metabolite_name><metabolite_name>PC(37:8)</metabolite_name><metabolite_name>MG(O-17:2)</metabolite_name><metabolite_name>BiotinylPE 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