Metabolites were annotated using a self-constructed MWDB (MetWare Database) based on MS/MS spectral information. During data processing, isotopic peaks, adduct-related interferences (including K+, Na+, and NH4+ adducts), and overlapping signals arising from fragment ions of higher-molecular-weight compounds were excluded
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["The analytical conditions were as follows, UPLC: column, Agilent SB-C18 (1.8 μm, 2.1 mm all_fetch_status all_status eb_eye_copy_status eb_eye_entry_counts eb_eye_fetch_status eb_eye_metabolights_complete.xml eb_eye_metabolights_compounds.copy eb_eye_metabolights_compounds.xml eb_eye_metabolights_studies.copy e_fetch_status europe_PMC_metabolights_studies.copy europe_PMC_metabolights_studies.xml head.xml studies.copy study.xml tail.xml thomsonreuters_metabolights_studies.copy thomsonreuters_metabolights_studies.xml 100 mm). The mobile phase was consisted of solvent A, pure water with 0.1% formic acid, and solvent B, acetonitrile with 0.1% formic acid. Sample measurements were performed with a gradient program that employed the starting conditions of 95% A, 5% B. Within 9 min, a linear gradient to 5% A, 95% B was programmed, and a composition of 5% A, 95% B was kept for 1 min. Subsequently, a composition of 95% A, 5.0% B was adjusted within 1.1 min and kept for 2.9 min. The flow velocity was set as 0.35 mL per minute; The column oven was set to 40°C; The injection volume was 2 μL. The effluent was alternatively connected to an ESI-triple quadrupole-linear ion trap (QTRAP)-MS.
"],"publication":["Comprehensive Investigation into the Antioxidant Phytochem-icals and Molecular Mechanisms of the Genus Ottelia: An In-tegrated Metabolomic and Network Pharmacology Approach. 10.3390/xxxxx."],"submitter_name":["Chenghao Zhu"],"submitter_affiliation":["Guangxi Institute of Botany,Chinese Academy of Sciences"],"organism_part":["leaf"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Plant materials were subjected to vacuum freeze-drying using a freeze dryer (Scientz-100F). Subsequently, the dried samples were homogenized to a fine powder using a high-frequency oscillating mill (MM 400, Retsch) at 30 Hz for 1.5 min. An accurately weighed aliquot of 50 mg of the resulting powder was transferred into a microcentrifuge tube, followed by addition of 1200 μL of ice-cold 70% (v/v) methanol–water extraction solvent containing an internal standard and pre-cooled to −20 °C. The mixture was vortexed for 30 s every 30 min, repeated six times to ensure thorough extraction. Following centrifugation at 12,000 × g for 3 min at 4 °C, the supernatant was carefully collected, filtered through a 0.22-μm polytetrafluoroethylene (PTFE) syringe filter, and transferred into a chilled autosampler vial for subsequent UPLC–MS/MS analysis.
"],"organism":["plant metabolite"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS14364"],"author":["Chenghao Zhu. Guangxi Institute of Botany,Chinese Academy of Sciences. medicalzch@163.com."],"data_transformation_protocol":["DP (declustering potential) and CE (collision energy) for individual MRM transitions was done with further DP and CE optimization. A specific set of MRM transitions were monitored for each period according to the metabolites eluted within this period.
"],"study_factor":["Plant"],"submitter_email":["medicalzch@163.com"],"sample_collection_protocol":["Leaf tissues from five Ottelia were collected from the introduction garden of the Guangxi Institute of Botany. The sampling site is located at 110°17′E, 25°01′N (elevation 178 m) and is characterized by a canopy cover (density) > 0.5. For each taxon, three biological replicates were collected. For each replicate, 2 g of fresh leaf material was harvested and immediately stored at -80 °C until further analysis.
"],"omics_type":["Metabolomics"],"study_design":["ultra-performance liquid chromatography-mass spectrometry","Multi-omics study","Metabolomics","plant metabolite","untargeted analysis","Agilent 1290 Infinity II UHPLC","leaf","mzML format","AB SCIEX TripleTOF 5600","experimental sample","untargeted metabolite profiling"],"curator_keywords":["ultra-performance liquid chromatography-mass spectrometry","Multi-omics study","Metabolomics","plant metabolite","untargeted analysis","Agilent 1290 Infinity II UHPLC","leaf","mzML format","untargeted metabolite profiling","AB SCIEX TripleTOF 5600","experimental sample"],"mass_spectrometry_protocol":["The ESI source operation parameters were as follows: source temperature 500°C; ion spray voltage (IS) 5500 V (positive ion mode)/-4500 V (negative ion mode); ion source gas I (GSI), gas II(GSII), curtain gas (CUR) was set at 50, 60, and 25 psi, respectively; the collision-activated dissociation (CAD) was high. QQQ scans were acquired as MRM experiments with collision gas (nitrogen) set to medium
"],"additional_accession":[]},"is_claimable":false,"name":"Comprehensive Investigation into the Antioxidant Phytochem-icals and Molecular Mechanisms of the Genus Ottelia: An In-tegrated Metabolomic and Network Pharmacology Approach","description":"Chemical composition analysis of Ottelia acuminata, Ottelia acuminata var. jingxiensis, Ottelia fengshanensis, Ottelia guanyangensis, and Ottelia alismoides","dates":{"publication":"2026-04-27","submission":"2026-04-24"},"accession":"MTBLS14364","cross_references":{}}