MetaboLightsapplication/xmlftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/m_MTBLS13669_LC-MS_positive_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/m_MTBLS13669_LC-MS_negative_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/a_MTBLS13669_LC-MS_positive_reverse-phase_metabolite_profiling.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/s_MTBLS13669.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/a_MTBLS13669_LC-MS_negative_reverse-phase_metabolite_profiling.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/CK_S3_3.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/CK_S2_3.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/R_S1_1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/CK_S0_3.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/R_S2_1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/CK_S1_3.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/R_S3_1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/CK_S3_2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/CK_S2_2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/R_S2_3.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/R_S3_3.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/CK_S1_2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/CK_S0_2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/CK_S3_1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/CK_S2_1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/CK_S1_1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/CK_S0_1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/R_S1_3.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/R_S3_2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/R_S2_2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669/FILES/DERIVED_FILES/R_S1_2.mzMLprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13669<p>Metabolite identification and annotation were based on a combination of the in-house MetWare Database (MWDB) and publicly available databases, including MassBank, KNAPSAcK, HMDB, MoTo DB, and METLIN. Identification relied on matching precursor and product ion spectra (Q1/Q3), retention times, and fragmentation patterns against reference standards. Quantification was carried out using MRM mode, and metabolite structures were confirmed through comparison of spectral features and database cross-validation.</p>MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseLiquid Chromatography MS - positive - reverse-phase<p>Metabolite separation was performed using an ultra-performance liquid chromatography system (Shim-pack UFLC CBM-30A, Shimadzu, Kyoto, Japan). Chromatographic separation was achieved on an Agilent SB-C18 column (1.8 µm, 2.1 mm × 100 mm). The mobile phases were: solvent A, ultrapure water containing 0.1% formic acid; solvent B, acetonitrile. The gradient program was as follows: 0.0 min, 5% B; 0–9.0 min, linear increase to 95% B; 9.0–10.0 min, maintain 95% B; 10.0–11.1 min, decrease to 5% B; equilibrate at 5% B for 3 min. The flow rate was 0.35 mL/min, the column temperature was maintained at 40 °C, and the injection volume was 4 μL.</p>Profiling of lignin metabolites associated with fruit russeting.Sichuan Agricultural UniversityKun Zhangfruit peelmass spectrometry<p>Freeze-dried loquat peel samples were finely ground into powder using a mixer mill (MM 400, Retsch, Germany) with a zirconia bead at 30 Hz for 1.5 min. Exactly 100 mg of powdered tissue was extracted overnight at 4 °C with 0.6 mL of 70% aqueous methanol. The mixture was vortexed several times during extraction to enhance yield. After centrifugation at 10,000 g for 10 min, the supernatant was filtered through a 0.22 μm membrane (SCAA-104, ANPEL, Shanghai, China). A pooled quality control (QC) sample was prepared by combining equal aliquots from all biological samples and analyzed intermittently to monitor instrument stability. Standard compounds were dissolved in DMSO or methanol, diluted with 70% methanol before analysis, and stored at –20 °C.</p>Eriobotrya japonicahttps://www.ebi.ac.uk/metabolights/MTBLS13669Qunxian Deng. Sichuan Agricultural University. dengqx@sicau.edu.cn.Kun Zhang. Sichuan Agricultural University. Kunsonlxl@163.com.<p>Raw LC–MS/MS data were processed using Analyst 1.6.3 and MultiQuant software (AB Sciex). Peak detection, alignment, and area integration were performed, followed by normalization of the peak areas across all samples. Total ion chromatograms (TICs) and extracted ion chromatograms (XICs) were examined to ensure retention time consistency and signal reproducibility. QC samples were analyzed periodically throughout the run to evaluate instrument precision and data reliability.</p>Groupkunsonlxl@gmail.com<p>‘Baixuegongzhu’ (BXGZ) loquat fruits were collected from the loquat germplasm resource nursery of Sichuan Agricultural University in Shimian County, Sichuan Province, China (29°18′55″N–29°18′56″N, 102°32′16″E). Fruit thinning was performed in early February 2024 (80 days after bloom, DAB), leaving three fruits per panicle. A single application of fungicide and insecticide was conducted afterward, while fruits were not bagged, and standard orchard management practices were followed throughout the growing period. Based on field observations showing that peel russeting symptoms first appeared during the color transition stage (Fig. 1A), fruits were sampled at four developmental stages: 120 DAB (expansion stage, S0), 135 DAB (breaker stage, S1), 150 DAB (half-ripening stage, S2), and 165 DAB (mature stage, S3). At least 30 fruits were collected per stage, with three biological replicates for each sampling point.</p>Metabolomicsfruit russetinglignin metabolitesLCMSfruit russetinglignin metabolitesLCMS<p>Mass spectrometric detection was conducted on an API 4500 Q TRAP LC/MS/MS system (AB Sciex, Framingham, MA, USA) equipped with an electrospray ionization (ESI) source operating in both positive and negative ion modes. The source parameters were: ion source temperature 550 °C, ion spray voltage +5500 V (positive)/–4500 V (negative), curtain gas 30 psi, gas I 50 psi, gas II 60 psi, and high collision-activated dissociation (CAD). Multiple reaction monitoring (MRM) mode was used for quantification. Declustering potential (DP) and collision energy (CE) values were optimized for each MRM transition. Data acquisition was controlled by Analyst 1.6.3 software.</p>Coniferyl alcoholL-Phenylalaninep-Coumaryl alcoholp-Coumaric acidSinapinaldehyde4-Hydroxy-3-methoxycinnamaldehydeFerulic acidfalseProfiling of lignin metabolites associated with fruit russeting<p>Broad-Targeted Metabolite Profiling of the Lignin Biosynthesis Pathway</p>2026-01-132026-01-13MTBLS13669C10945C00482C01197C09066C10438C00079C01494C00811C00590C02646C02666