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 0.01 Da), MS/MS spectral matching (tolerance 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.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["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.
"],"publication":["Original data of bacterial antibiotic resistance lipidomics."],"submitter_name":["wei liu"],"submitter_affiliation":["yangzhou university"],"organism_part":["Bacterial cell pellet"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["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.
"],"organism":["Salmonella enterica"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS15318"],"author":["jinju cai. Yangzhou University. 1830268431@qq.com.","yuan liu. Yangzhou University. liuyuan2018@yzu.edu.cn."],"data_transformation_protocol":["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).
"],"study_factor":["Group"],"submitter_email":["lw15264770396@163.com"],"sample_collection_protocol":["Salmonella was cultured in LB broth at 37 °C with shaking to mid-log phase (OD600 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.
"],"omics_type":["Metabolomics"],"study_design":["targeted analysis","untargeted analysis","Waters ACQUITY UPLC I-Class System","Xevo G2-XS Q-TOF","Lipidomics","antibiotic adjuvant","ZnuB","resistance","Salmonella enterica","Bacterial culture","Bacterial cell pellet","Gram-negative bacteria","colistin"],"curator_keywords":["targeted analysis","untargeted analysis","Waters ACQUITY UPLC I-Class System","Xevo G2-XS Q-TOF","Lipidomics","antibiotic adjuvant","ZnuB","resistance","Salmonella enterica","Bacterial culture","Bacterial cell pellet","Gram-negative bacteria","colistin"],"mass_spectrometry_protocol":["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.
"],"metabolite_name":["Co(Q9)","DG(O-17:3_16:0)","Hex1Cer(d22:4)","PC(17:1_16:0)","Cer(t21:0_17:0)","LBPA(14:0_16:0)","DG(O-35:8)","PE(11:0COOH_17:1)","Cer(d20:1_9:0)","LBPA(16:1_16:1)","DG(O-15:0)","PE(12:0_18:1)","DG(O-36:4)","PE(15:0_19:2COOH)","CL(42:12CHO_16:0)","Cer(m33:4)","Cer(d16:0_18:3)","DG(O-17:3_16:1)","PE(16:0_19:2COOH)","CL(71:2CHOCOOH)","FA(17:1)","DG(O-15:1_34:1)","CL(66:2)","PC(O-12:1_18:1)","PC(17:5COOH_15:0)","Cer(m20:0_16:0)","CL(20:0CHO_16:0_17:1_18:1COOH)","PE(15:0_17:1)","DG(46:11)","PC(17:1_20:1COOH)","Cer(d20:2_16:0)","DG(O-36:3)","DG(O-17:1_18:2)","PC(P-12:1_14:0)","CL(66:3)","PC(17:5COOH_16:0)","LBPA(18:0_19:1)","Cer(d12:0_16:0)","PC(O-27:2_16:1)","PE(14:0_18:0CHO)","PC(32:1)","CL(14:0_16:0_17:1_18:1)","DG(O-48:15)","PC(48:2CHO)","DG(O-16:2_19:1)","PE(14:0_15:0)","Cer(d16:0_18:1)","FA(18:0)","LPE(18:1)","CL(67:1)","DG(O-40:11)","LBPA(17:1_19:1)","CL(16:0_18:1_18:1_18:1)","PC(32:2)","LBPA(16:1_17:1)","CL(22:4_16:0_19:1_20:1COOH)","DG(16:2)","LBPA(14:0_17:1)","Cer(m16:0_16:0)","Cer(d15:1_18:3)","PE(11:0COOH_16:0)","DG(O-15:1_32:2)","PC(16:2_15:2)","LPE(17:1)","LBPA(17:1_18:1)","PC(15:0_19:0CHO)","PE(14:1_17:1)","BisMePA(44:12)","PE(15:0_16:1)","DG(O-16:2_17:1)","Cer(t17:0_17:0)","CL(16:0_16:0_16:0_19:1)","CL(65:1)","PC(16:0_18:1COOH)","Co(Q6)","MG(O-24:5)","DG(O-16:2_30:1)","LPI(O-24:2)","PC(O-27:2_17:1)","Cer(d19:0_18:0)","DG(O-26:5)","BisMeLPA(22:3)","PE(15:0_16:0)","PC(18:3_15:2)","Cer(d16:0_17:1)","DG(O-37:4)","Co(Q7)","Cer(d18:0_16:0)","DG(O-48:12)","Cer(t17:0_17:1)","CerPE(d36:7)","CL(65:2)","PC(16:2_16:2)","PC(17:3_13:1)","DG(36:4)","CL(20:2_16:1_16:1_18:1)","Cer(d54:0)","PC(18:3_15:1)","CL(P-39:10_16:0)","PC(O-29:3_16:1)","PE(16:0COOH_18:1)","PC(O-12:1_17:1)","Co(Q8)","DG(O-37:3)","CL(57:9COOH_17:0COOH)","PA(O-33:6)","PC(48:1CHO)","CL(66:0)","PC(21:6COOH_19:1)","DG(O-17:1_4:0)","DG(O-15:1_11:1)","CL(66:2CHO)","PC(18:2_15:1)","Hex3Cer(d12:0_10:1)","LPC(18:0)","DG(O-15:1_22:1)","PC(18:4_19:1)","DG(O-46:13)","Cer(m18:0_16:0)","MePC(33:2)","DG(O-30:4_6:0)","PC(17:5COOH_18:0)","PC(31:1CHO)","DG(O-26:8)","PC(17:3_16:2)","DG(O-15:1_20:0)","MG(O-18:3)","BisMeLPA(21:3)","MG(10:3)","PE(16:0_18:1)","DG(19:0_18:3)","CL(22:6COOH_16:0_16:0_17:1)","CL(O-44:11_16:0_17:1)","PC(46:2CHO)","Cer(d16:0_16:1)","OAHFA(54:12)","PC(18:2_18:3COOH)","CL(22:4_16:0_17:1_18:1COOH)","LBPA(17:1_17:1)","DG(O-13:1_17:1)","DG(48:14)","DG(18:2_18:2)","PC(O-25:2_17:1)","PE(16:0_18:0)","DG(O-15:1_20:1)","PC(13:0CHO_17:1)","PC(19:3_17:2)","DG(P-25:7)","PE(14:0_17:1)","Cer(d16:0_16:0)","PC(36:0CHO)","Cer(m14:0_2:0)","CL(21:5COOH_16:0_17:1_19:1)","PC(10:3_14:0)","CL(16:0_16:0_17:1_19:1)","Cer(d18:0_17:1)","PE(11:0COOH_14:0)","MG(O-28:5)","PC(O-12:1_16:0)","DG(O-29:4_6:0)","CL(22:0CHO_16:0_17:1_20:1COOH)","DG(31:0)","PC(17:0COOH_16:0)","CL(16:0_17:1_18:1_19:1)","DG(O-15:1_32:1)","DG(O-38:4)","PC(16:2_15:1)","BisMePA(16:1_16:0)","CL(64:2)","Cer(d18:2_16:0)","PC(45:1CHO)","MG(O-17:3)","Cer(d17:0_16:0)","MG(O-17:1)","CL(16:0_17:1_18:1_18:1)","PC(14:0_17:0COOH)","DG(O-15:1_18:0)","DG(O-19:3_16:0)","PE(10:0COOH_16:0)","DG(O-29:4_7:0)","DG(O-30:3)","Cer(m12:0_16:0)","PC(O-12:1_14:0)","DG(O-28:6)","DG(18:1_18:2)","DG(O-27:3_7:0)","PC(17:1_21:6COOH)","PC(17:3_15:1)","PC(37:8)","MG(O-17:2)","BiotinylPE (9:0_16:0)","BisMePA(26:3)","CL(16:0_17:1_19:1_19:1)","CL(16:0_16:0_17:1_18:1)","DG(P-27:8)","MG(P-16:2)","DG(O-15:1_18:1)","BisMePA(37:3)","DG(O-15:1_30:1)","PC(16:2_13:1)","Cer(d24:0)","DG(P-6:0_17:0)","DG(O-30:2)","CL(O-43:11_16:0_16:1)","LPC(16:0)","PE(16:0_19:1)","MG(O-16:2)","PC(13:0CHO_16:0)","Cer(d34:0)","PE(14:0_16:0)","DG(O-15:1_18:2)","Cer(t22:0_18:1)","BisMePA(36:5)","LBPA(19:1_19:1)","FA(16:0)","PE(15:1_17:1)","DG(18:0_18:2)","DG(28:3)","PE(14:0_16:1)","Cer(d17:1_16:0)","DG(O-46:12)","MGDG(16:0)","CL(63:1)","PC(P-44:14)","PC(34:0CHO)","DG(O-15:2_30:1)","DG(O-29:2)","PC(17:3_15:2)","PC(P-9:0_17:1)","PC(18:3_17:2)","PC(38:4)","PC(10:3_17:1)","DG(O-31:4)","PC(15:0_20:5)","DG(O-19:3)","Cer(d16:0_14:0)","Cer(m28:0)","MePC(35:4)","PC(12:0_17:5COOH)","LPI(O-28:3)","BisMePA(11:0)","LBPA(16:0_17:1)","CL(P-40:10_16:0)","PE(14:0_19:1CHO)","DG(O-41:8)","DG(O-17:2_17:0)","DG(19:0_16:0)","PC(17:3_19:1)","DG(O-31:3)","DG(O-21:0)","PC(O-29:2_17:1)","DG(O-28:4_6:0)","PE(11:0CHO_16:1)","CL(O-47:12_17:1_19:1)","CL(16:0_16:1_17:1_18:1)","DG(O-27:3_6:0)","PC(32:0CHO)","DG(O-15:1_28:1)","CL(16:0_17:1_17:1_18:1)","CL(O-18:3_16:0_18:1_18:1)","DG(O-16:3_18:1)","PE(14:0_17:2COOH)","PC(15:2CHO_17:1)","MG(O-21:1)","OAHFA(26:7)","DG(O-15:1_17:1)","CL(20:3_16:0_17:1_17:1)","Cer(d17:0_18:0)","LBPA(28:0)","DG(O-18:2_8:0)","PE(11:0CHO_17:1)","PC(16:0_20:1COOH)","DG(O-31:2)","PE(16:0_16:1)","CL(72:4)","DG(O-17:2_16:1)","Cer(d15:1_16:0)","DG(42:11)","CL(42:8COOH_17:0COOH_17:1)","PC(19:6COOH_16:1)","CL(52:6COOH_16:0)","DG(O-15:1_17:2)","Hex3Cer(d13:1_10:1)","PC(11:0_21:1CHO)","DG(O-16:2_14:0)","DG(O-29:6)","MG(19:3)","PC(13:1_17:1)","CL(O-49:0_17:0COOH)","DG(17:0_18:3)","PC(13:0CHO_19:1)","BisMePA(14:1_12:0)","PE(12:0_14:0)","LBPA(18:1_19:1)","LBPA(29:3)","DG(O-15:1_15:1)","PC(19:6COOH_17:1)","DG(O-28:4_7:0)","PC(13:2CHO_17:1)","PE(16:0_17:0)","Hex3Cer(t10:1_15:1)","Cer(d18:1_16:0)","PE(14:0_18:1)","Hex1Cer(t32:6)","PC(11:0CHO_18:0)","CL(14:0_16:0_16:0_16:1)","DG(P-47:15)","CL(20:4_14:0_16:0_16:1)","MG(O-19:3)","Cer(m30:0)","DG(33:0)","PC(36:4)","DG(32:3)","CL(70:3)","DG(O-29:4_5:0)","CL(40:4_17:1_19:1)","DG(O-17:1_14:2)","DG(O-32:3)","DG(O-21:1)","CL(14:0_16:0_16:0_16:0)","DG(O-15:1_16:0)","PC(17:3_15:3CHO)","LPG(22:1)","BiotinylPE 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(11:0_16:0)","LPG(18:3)","CL(16:0_16:1_16:1_18:1)"],"additional_accession":[]},"is_claimable":false,"name":"Original data of bacterial antibiotic resistance lipidomics","description":"Plasmid-mediated dissemination of mcr genes has severely compromised colistin efficacy, necessitating adjuvants that restore antibacterial potency without exacerbating toxicity. 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