----------------- INFORMACIÓN GENERAL ------------------- 1. Título del dataset Metabolomic profiling of the serological response to a hepcidin 1 injection in gilthead seabream (Sparus aurata) 2. Autoría: [Rellenar la información de todos los autores siguiendo el siguiente formato. Repetir el esquema, uno para cada autor.] Nombre: Laura García-Navarro Institución: Universidad de Murcia Correo electrónico: laura.garcia12@um.es ORCID: 0009-0007-6678-8426 Nombre: Claudia Marín-Parra Institución: Universidad de Murcia Correo electrónico:claudia.marin@um.es ORCID: 0000-0002-7969-7052 Nombre: Jhon A. Serna‑Duque Institución: Universidad de Murcia Correo electrónico: jhonalberto.sernad@um.es ORCID: 0000-0001-6962-3722 Nombre: María Ángeles Esteban Institución: Universidad de Murcia Correo electrónico: aesteban@um.es ORCID: 0000-0002-6264-1458 3. Fecha de recogida de los datos (fecha única o rango de fechas): [01-06-2024---1-12-2024] 4. Fecha de depósito de los datos: [03-04-2025] 5. Idioma del conjunto de datos: Inglés ------------------------ INFORMACIÓN METODOLÓGICA ------------------------ 1.Descripción de la metodología utilizada para generar el conjunto de datos. 2.1. Animals, experimental design and sampling Healthy sixteen juvenile gilthead seabream (S. aurata, with an average body weight of 41,7 g) were provided by a commercial local farm (Alicante, Spain), and relocated to the tanks at the University of Murcia for further study. These fish were housed in tanks with a capacity of 450 l, filled with seawater at a salinity of 28 ‰, and maintained at a temperature of 24 ± 2 °C. They were subjected to an artificial light cycle of 12 h of light followed by 12 h of darkness. The fish were fed a commercial pelleted diet (Skretting) at a daily rate of 1 % of their body weight and were given a 15-day period to acclimate before the start of the experiments. All experimental procedures received approval from the Ethical Committee for Animal Experimentation at the University of Murcia (permit number A13160416) and were carried out in compliance with the European directive 2010/63/UE concerning the protection of animals used in scientific research. Following the quarantine period, the fish were randomly divided into two groups. The first group, consisting of eight fish housed in two tanks, received an intraperitoneal injection (i.p.) of 50 µL of sterile phosphate-buffered saline (PBS, Invitrogen) to function as the control group. The second group, also comprising eight fish (four in each tank), was administered a single dose i.p. injected of 50 μL of 25 μM hepcidin1 (QSHLSLCRWCCNCCRGNKGCGFCCKF) dissolved in sterile PBS. Four days post-injection, all fish were subjected to sampling. For this procedure, the fish were anesthetized using clove oil (Sigma-Aldrich) at a concentration of 40 ppm, and blood samples were collected via caudal vein puncture using an insulin syringe. The samples were maintained on ice for 4 h, after which they were centrifuged (13,000 x g, 10 min, 4 ºC) to separate the serum. Serum samples from each fish were transferred to Eppendorf and stored at -80 °C until used. The selection of the hepcidin 1dose for injection and the timing of sample collection were determined by reviewing available literature [32]. 2.2. HILIC and RP analysis of serum samples Four analyses were conducted: two using a HILIC column with ESI positive (ESI+) and ESI negative (ESI-) modes to identify polar compounds, and two using an RP column with ESI+ and ESI- modes for non-polar compounds [33]. For data extraction, the FMF algorithm was used to eliminate random ions and contaminants while identifying compound-associated ions. A minimum signal intensity threshold of 1000 was set and used the METLIN database to search for potential H+, Na+, and K+ ions in positive mode, and -H, +HCOO, and +CH3COO ions in negative mode, with a maximum error margin of 5 ppm. The raw data from each analysis were organized into a table with columns for Name, Formula, Precursor, Theory mass, Score, Base peak, RT, Height, Width, Ions, ID source, Hit count, File, and Algorithm. Data from the CSV files were processed to eliminate duplicates, and compounds with a Score greater than 60 and Ions greater than 2 were excluded. The data from the control and hepcidin 1 groups were compared, exporting results in .txt files for analysis using MetaboAnalyst. A comprehensive table was created to include all metabolites from the four analyses for the biochemical profile study. 2. Software o instrumentos necesarios para interpretar los datos: [Incluir la versión del software. Si hace falta un software específico de acceso restringido, explicar cómo obtenerlo. Valorar si es posible cambiar el conjunto de datos a un formato abierto (recomendado).] 3. Procedimientos seguidos para asegurar la calidad de los datos The data underwent a quality check (SanityCheckData) to identify potential errors in the dataset, such as missing values or formatting issues, thereby ensuring the data met the quality standards required for further analysis ------------------------ ESCTRUCTURA DE LOS ARCHIVOS --------------------------- 1. Nombres de archivos [Mencionar todos los archivos incluidos en el conjunto de datos, con el nombre y la extensión (.csv, .pdf, etc.) de cada fichero]. RP_Hepcidin1_4days_pos_vs_Control_4days_pos.txt RP_Hepcidin1_4days_neg_vs_Control_4days_neg_v2.txt HILIC_Hepcidin1_4days_neg_vs_Control_4days_neg_v2.txt HILIC_Hepcidin1_4days_pos_vs_Control_4days_pos_v2.txt 2. Formato de los archivos: Documento de texto (.txt) ------------------------ MÁS INFORMACIÓN ------------------------ [Incluir cualquier otra información sobre el conjunto de datos que no haya quedado reflejada en esta plantilla y que se considere relevante.] Samples C33_4 must be descartered in the analysis because it is a sample duplicate.