Metabolite identification was performed by matching accurate precursor m/z and MS/MS fragmentation spectra against the BiotreeDB (V2.1) in-house MS²2 database, with a cutoff score of 0.3. Identification confidence levels are reported according to the Metabolomics Standards Initiative (MSI): Level 1 (identified by authentic standard or MS2 matching with high confidence), Level 2 (putatively annotated based on MS2 matching), and Level 3 (putatively characterized compound class).
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - alternating - reverse-phase"],"chromatography_protocol":["Chromatographic separation was performed on a Vanquish UHPLC system (Thermo Fisher Scientific) equipped with a Waters ACQUITY UPLC HSS T3 column (2.1 mm × 100 mm, 1.8 μm). The mobile phase consisted of 5 mM ammonium acetate and 5 mM acetic acid in water (A) and acetonitrile (B). The autosampler temperature was maintained at 4°C, and the injection volume was 2 μL.
"],"publication":["Phosphatidylcholine in wheat anthers is a susceptibility factor for Fusarium head blight."],"submitter_name":["Yazhou Zhang"],"submitter_affiliation":["Sichuan Agricultural University"],"organism_part":["anther"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Metabolites were extracted from 10 mg of lyophilized tissue using 500 μL of methanol:water (3:1, v/v) containing isotopically-labeled internal standards. The sample was homogenized at 35 Hz for 4 min and sonicated in an ice-water bath for 5 min. The homogenization and sonication cycle was repeated three times. The sample was then incubated at -40°C for 1 hour and centrifuged at 12,000 rpm (13,800 × g) for 15 min at 4°C. The supernatant was transferred to a glass vial for LC-MS analysis. A pooled quality control (QC) sample was prepared by mixing equal aliquots of all sample supernatants.
"],"organism":["Triticum aestivum"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS14831"],"author":["Yazhou Zhang. Sichuan Agricultural University. yazhou14716@sicau.edu.cn."],"data_transformation_protocol":["Raw data were converted to mzXML format using ProteoWizard software. Peak detection, alignment, and integration were performed using an in-house R pipeline based on XCMS. The resulting feature tables containing m/z, retention time, and peak areas were generated for both positive and negative ion modes. Data were not transformed further.
"],"study_factor":["Infection time","Anther type"],"submitter_email":["yazhou14716@sicau.edu.cn"],"sample_collection_protocol":["Wheat anthers were collected from fertile and sterile plants at the flowering stage (Zadoks scale 60-69). For infection time-series samples, fertile anthers were co-cultured with Fusarium graminearum and collected at 0, 6, 12, and 24 hours post-inoculation. Three biological replicates were collected for each condition. All samples were immediately frozen in liquid nitrogen and stored at -80°C until metabolite extraction.
"],"omics_type":["Metabolomics"],"study_design":["Lipidomix (Germany)","ProteoWizard msconvert","Metabolomics","anther","untargeted analysis","Thermo Fisher Q Exactive HF-X Orbitrap mass spectrometer","Scab","tissue","Vanquish UHPLC system (Thermo Fisher Scientific)","Triticum aestivum"],"curator_keywords":["ProteoWizard msconvert","Lipidomix (Germany)","Metabolomics","anther","untargeted analysis","Scab","Thermo Fisher Q Exactive HF-X Orbitrap mass spectrometer","tissue","Vanquish UHPLC system (Thermo Fisher Scientific)","Triticum aestivum"],"mass_spectrometry_protocol":["Mass spectrometry was performed on a Thermo Fisher Q Exactive HF-X Orbitrap mass spectrometer equipped with an electrospray ionization (ESI) source. Both positive and negative ion modes were acquired separately. Full MS scans were acquired at a resolution of 60,000 FWHM over a mass range of m/z 100-1500. Data-dependent MS/MS (dd-MS2) was performed at a resolution of 7,500 FWHM with stepped collision energies of 10, 30, and 60 eV in NCE mode. Source parameters: spray voltage 3.6 kV (positive) / -3.2 kV (negative); sheath gas flow rate 30 Arb; auxiliary gas flow rate 25 Arb; capillary temperature 350°C.
"],"additional_accession":[]},"is_claimable":false,"name":"Phosphatidylcholine in wheat anthers is a susceptibility factor for Fusarium head blight","description":"Non-targeted metabolomics was performed to investigate the metabolic differences between fertile and sterile wheat anthers, and to identify anther-derived metabolites that promote Fusarium head blight infection. Wheat anthers (fertile, sterile, and fertile anthers co-cultured with Fusarium graminearum) were collected at four time points (0, 6, 12, and 24 hours post-inoculation).
","dates":{"publication":"2026-06-23","submission":"2026-06-23"},"accession":"MTBLS14831","cross_references":{}}