MetaboLights

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ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12902/m_MTBLS12902_LC-MS_positive_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12902/m_MTBLS12902_LC-MS_negative_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12902/a_MTBLS12902_LC-MS_positive_reverse-phase_metabolite_profiling.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12902/s_MTBLS12902.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12902/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12902/a_MTBLS12902_LC-MS_negative_reverse-phase_metabolite_profiling.txtprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12902Data treatment and tentative metabolite identification were done exactly similar than in a previous work (Vega-Álvarez et al., 2023).  Vega-Álvarez C, Soengas P, Roitsch T, Abilleira R, Velasco P, Francisco M. 2023. Unveiling plant defense arsenal: Metabolic strategies in Brassica oleracea during black rot disease . Horticulture Research doi: 10.1093/hr/uhad204.MetaboLightsPublicLiquid Chromatography MS - negative - reverse phaseLiquid Chromatography MS - positive - reverse phaseFor metabolomic composition analysis, we injected 5 μL of each sample into an ultra-high-performance liquid chromatography (UHPLC) system (Thermo Dionex Ultimate 3000 LC) coupled with an electrospray ionization quadrupole time-of-flight mass spectrometer (UPLC-Q-TOF-MS/MS) (Bruker Compact) with a heated electrospray ionization (ESI) source. The chromatographic separation was performed on an Intensity Solo 2 C18 column (2.1 x 100 mm 1.7 µm pore size; Bruker Daltonics, Germany) using a binary gradient solvent mode consisting of 0.1% formic acid in water (solvent A) and acetonitrile (solvent B). The following gradient was used: 3% B (0-4 min), from 3 to 25% B (4-16 min), from 25 to 80% B (16-25 min), from 80 to 100% B (25-30 min), hold at 100% B until 32 min, from 100 to 3% B (32-33 min), hold at 3% B until 36 min. The flow rate was established at 0.3 mL/min and column temperature was controlled at 35 °C.Diurnal Dynamics Shape Plant Defenses: Temporal Variations in Disease Progression and Metabolic Reprogramming in Brassica oleracea.Carmen Vega-ÃÂlvarezMision BiolÃÂ³gica de GaliciaNo applyleafmass spectrometry assayBasically, we followed the procedure described previously[1], performing two successive extractions using 20 mg of lyophilized powder for each sample. The extractions were carried out in 80% aqueous methanol, resulting in approximately 2 mL of supernatant per extraction. Each supernatant was subsequently filtered using a 0.22 μm microporous PTFE filter to remove any particulates, and then diluted to 20% of its original volume with 80% aqueous methanol. Overall, a total of six samples per condition, derived from three independent biological replicates, were analyzed in the study to ensure reproducibility and reliability of the results.Ref: [1] (Doghri, Rodríguez, Kliebenstein & Francisco 2022; Rodriguez, Velasco, Abilleira & Cartea 2022)Brassica oleracea 'Early BigNo applyhttps://www.ebi.ac.uk/metabolights/MTBLS12902Finally, the raw data from the UHPLC-QTOF were uploaded and processed by the commercial software MetaboScape 4.0 (Bruker Daltoniks, Germany) following literature[1]. The peak detection and data alignment were proceeded automatically using the T-ReX 3D algorithm. The peak results obtained from MetaboScape 4.0 software were imported into MetaboAnalyst[2] for statistical analysis. In order to remove non-informative variables, data were filtered using the interquantile range filter (IQR). Moreover, Pareto variance scaling was used to normalize the data and to remove the offsets and adjust the importance of high- and low-abundance ions to an equal level[3]. The resulting three-dimensional matrix (peak indices, samples and variables) was subjected to multivariate statistical analysis to determine how robust is the response to Xcc in each comparison, with the supervised partial least squares discriminate analysis (PLS-DA) methodology. PLS-DA models were cross-validated using Q2 and R2 parameters. The relevance of each metabolite in PLS-DA models was quantified using the variable importance in projection (VIP) score from the fist principal component. Based on VIP > 1.5, metabolites associated with the response to the infection were distinguished. Features altered due to the infection were selected for tentative metabolite identification. Refs:[1] (Kessler, N., Neuweger, H., Tellström, V., and Barsch 2016)[2] (Pang et al. 2021)[3] (Berg, Hoefsloot, Westerhuis, Smilde & Werf 2006)TreatmentSupplementConditionsCollection timecarmen.vega.alvarez@csic.esLeaf samples were obtained from Brassica olearacea 'Early big' grown under greenhouse conditions. Plants were treated with exogenous oleamide on Day 1, inoculated/ mock-inoculated with Xanthomonas campestris pv. campestris (Xcc) on Day 2, and harvested for metabolomic analysis on Day 3, one day post-infection. For each treatment group, samples were collected both in the a.m. and p.m. to capture potential diurnal variations in metabolite accumulation. Leaf tissues were excised carefully, immediately flash-frozen in liquid nitrogen, and stored at –80 °C until extraction and metabolomic profiling. All handling was performed under conditions minimizing metabolic changes and degradation to ensure sample integrity.MetabolomicsoleamideBrassica oleraceaXanthomonas campestris pv. campestrisfatty amidepositive regulation of defense responseuntargeted metabolitesoleamideBrassica oleraceaXanthomonas campestris pv. campestrisfatty amidepositive regulation of defense responseuntargeted metabolitesMass spectrometry analyses were conducted on a Bruker Impact II LC-QTOF (Bruker Daltonics, Germany) with an ESI source, operating in both positive and negative ion modes across an m/z range of 50–1200. Data were acquired at 2 Hz (MS) and 8 Hz (MS/MS), with optimized parameters (capillary 4500 V, end plate 500 V, nebulizer 38 psi, dry gas 9 L/min, sheath gas 8 L/min, 220 °C). The QTOF analyzer provided high-resolution, accurate mass detection, and stability was validated by repeated standard injections.Benzoic acidOxidized phosphatidic acidSkimmin1,7-OctadieneHericene B3,5,7-Octatriyn-1-olPalmitic amidePhosphatidylchlolineOxidized phosphatidylinositolDiacylglycerolFlavonoid 3-O-glycosides2-Acetyl-6-methylpyridineGlucose8-Methoxycoumarin(Z)-1,3-OctadieneLysophosphatidylcholineSuccinimidyl carbonateTrihydroxybutaneCoumaric acid(E)-N-(2-(((3-(4-Chlorophenyl)allyl)(methyl)amino)methyl)phenyl)-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamideOxidized ceramideOxidized phosphatidylethanolamineMonoacylglycerideGlycerophospholipidOctadeca-2,4-dienoic acidTrideca-5,8,11-trienoic acidIndoleacrylic acidPhosphatidic acid1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholineTyrosine2-Phenylpropionaldehyde dimethyl acetalOxidized phosphatidylethanolaminesFructose/ Galactose/ Glucosa/ InositolThreonineLinolenelaidic acidlysophosphatidilcholine3,3'-IminodipropionitrileCoumarin4-Oxoproline3-Hexenyl salicylic acid3-Benzyl-2-methyl-2-pentadecanaminePheophorbide aStyrenesLysophospholipidOxidized phosphatidylcholineIsonicotinamideHeptadecasphinganineGlycerophosphocholineOxidized sphingolipidCuscohygrineLeucine2-Nonenal, 4-oxo-1,2-BenzenedithiolPhosphoethanolamine5-p-Coumaroylquinic acidFeruloylquinic acid3-Benzyl-2-methyl-2-tridecanamine2,3-Dihydro-1H-pyrrolizine-5-carboxaldehydeLoliolideFlavonoid-3-O-glycosides1-Acetoxy-2-hydroxy-16-heptadecyn-4-onePhosphatidylethanolamine2-(3-Phenylpropyl)tetrahydrofuranMyristamideAdenineMonomethylphosphatidylethanolamineChlorophyll cHexadecylamineKaempferol 7-O-glucosideL-TyrosineCholineOleamidePhosphatidylcholinefalseUntargeted Metabolomics of Brassica oleracea under Oleamide Supplementation: Resistance-Associated ChangesOleamide, a fatty acid amide with potential bioactive properties against Xanthomonas campestris pv. campestris (Xcc), was evaluated for its impact on the metabolome of Brassica oleracea. Susceptible 'Early Big' plants at six weeks of age were pretreated with 60 µM oleamide. Twenty-four hours after treatment, plants were inoculated with Xcc race 1 either in the morning (AM) or evening (PM), and leaf tissue was collected 24 hours post-inoculation for untargeted metabolomic analysis. Oleamide supplementation induced substantial shifts in the metabolic profile compared to untreated plants, with pronounced effects in pathways associated with defense responses. Time-of-day-dependent variation in metabolite accumulation was also observed. These results indicate that oleamide modulates the metabolic landscape of B. oleracea, promoting early defense-related metabolic reprogramming during infection.2026-03-132025-08-27MTBLS12902HMDB0340908HMDB0304656HMDB0301709HMDB0041723HMDB0252766HMDB0036013HMDB0284813HMDB0062471HMDB0301870HMDB0030334HMDB0041211HMDB0035312HMDB0270101HMDB0029550HMDB0029267HMDB0040842HMDB0246640HMDB0243891HMDB0010388HMDB0286761HMDB0001218HMDB0285511HMDB0030290HMDB0289484HMDB0031147HMDB0000086HMDB0290442HMDB0001870HMDB0031007HMDB0037072HMDB0340772HMDB0041180HMDB0056367HMDB0253810HMDB0290583HMDB0008722HMDB0243985HMDB0290577HMDB0289796HMDB0113681HMDB0285373HMDB0258541HMDB0263757HMDB0009679HMDB0245270HMDB0040008HMDB0255894HMDB0263968HMDB0115601HMDB0302428HMDB0290054HMDB0266196HMDB0254118HMDB41180HMDB0032468HMDB0037572HMDB0029269HMDB0266248HMDB0301873HMDB0302427HMDB0258334HMDB0302684HMDB0061944HMDB0244056HMDB0036178HMDB0278100HMDB0276067HMDB0246005HMDB0256162HMDB0288171HMDB0011508HMDB0303033HMDB0030964HMDB0244246MTBLC30769MTBLC28719MTBLC6650MTBLC 16015MTBLC 79311MTBLC 33076MTBLC 20912MTBLC52392MTBLC 89622MTBLC 27506MTBLC 174796MTBLC 88591MTBLC 136531MTBLC116314MTBLC137098MTBLC137096MTBLC137124MTBLC137125MTBLC 28873MTBLC 17895MTBLC 58670MTBLC 28794MTBLC 76078MTBLC 15903MTBLC 16821MTBLC 89517MTBLC 15354MTBLC 38257MTBLC 88936MTBLC 88930MTBLC 75575MTBLC 16857MTBLC 88407MTBLC 132244MTBLC 84505MTBLC 15937MTBLC 15603MTBLC 89514MTBLC 74475MTBLC 6031MTBLC 173454MTBLC 16708CHEBI:30769CHEBI:28719CHEBI:6650CHEBI: 16015CHEBI: 79311CHEBI: 33076CHEBI: 20912CHEBI:52392CHEBI: 89622CHEBI: 27506CHEBI: 174796CHEBI: 88591CHEBI: 136531CHEBI:116314CHEBI:137098CHEBI:137096CHEBI:137124CHEBI:137125CHEBI: 28873CHEBI: 17895CHEBI: 58670CHEBI: 28794CHEBI: 76078CHEBI: 15903CHEBI: 16821CHEBI: 89517CHEBI: 15354CHEBI: 38257CHEBI: 88936CHEBI: 88930CHEBI: 75575CHEBI: 16857CHEBI: 88407CHEBI: 132244CHEBI: 84505CHEBI: 15937CHEBI: 15603CHEBI: 89514CHEBI: 74475CHEBI: 6031CHEBI: 173454CHEBI: 16708ChEBI: 4167