{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002386","ANALYSIS_ID":"AN003888","VERSION":"1","CREATED_ON":"December 4, 2022, 11:54 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolomics in Small-spotted catshark reproduction","PROJECT_SUMMARY":"This study aimed to elucidate the influence of the environment (wild vs. aquarium) on the metabolic signatures in the seminal plasma and peripheral blood plasma in small-spotted catshark (wild-captured vs. aquarium-housed).","INSTITUTE":"Universidad San Pablo-CEU, CEU Universities","LAST_NAME":"Lorenzo Rebenaque","FIRST_NAME":"Laura","ADDRESS":"Ed. Seminario. S/n, Moncada, Valencia, 46113, Spain","EMAIL":"laura.lorenzorebenaque@uchceu.es","PHONE":"615056012"},

"STUDY":{"STUDY_TITLE":"Metabolomics in small-spotted catshark reproduction- Seminal plasma no-polar","STUDY_SUMMARY":"this study aimed to elucidate the influence of the environment (wild vs. aquarium) on the metabolic signatures in the seminal plasma (wild-captured vs. aquarium-housed).","INSTITUTE":"Universidad San Pablo-CEU, CEU Universities","LAST_NAME":"Lorenzo Rebenaque","FIRST_NAME":"Laura","ADDRESS":"Ed. Seminario. S/n, Moncada, Valencia, 46113, Spain","EMAIL":"laura.lorenzorebenaque@uchceu.es","PHONE":"615056012"},

"SUBJECT":{"SUBJECT_TYPE":"Fish","SUBJECT_SPECIES":"Scyliorhinus canicula"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"PO1",
"Factors":{"Group":"aquarium-housed","Sample":"seminal plasma"},
"Additional sample data":{"RAW_FILE_NAME":"PO1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"PO2",
"Factors":{"Group":"aquarium-housed","Sample":"seminal plasma"},
"Additional sample data":{"RAW_FILE_NAME":"PO2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"PO3",
"Factors":{"Group":"aquarium-housed","Sample":"seminal plasma"},
"Additional sample data":{"RAW_FILE_NAME":"PO3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"PO4",
"Factors":{"Group":"aquarium-housed","Sample":"seminal plasma"},
"Additional sample data":{"RAW_FILE_NAME":"PO4.raw"}
},
{
"Subject ID":"-",
"Sample ID":"PO5",
"Factors":{"Group":"aquarium-housed","Sample":"seminal plasma"},
"Additional sample data":{"RAW_FILE_NAME":"PO5.raw"}
},
{
"Subject ID":"-",
"Sample ID":"PO6",
"Factors":{"Group":"aquarium-housed","Sample":"seminal plasma"},
"Additional sample data":{"RAW_FILE_NAME":"PO6.raw"}
},
{
"Subject ID":"-",
"Sample ID":"PS1",
"Factors":{"Group":"wild-captured","Sample":"seminal plasma"},
"Additional sample data":{"RAW_FILE_NAME":"PS1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"PS2",
"Factors":{"Group":"wild-captured","Sample":"seminal plasma"},
"Additional sample data":{"RAW_FILE_NAME":"PS2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"PS3",
"Factors":{"Group":"wild-captured","Sample":"seminal plasma"},
"Additional sample data":{"RAW_FILE_NAME":"PS3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"PS4",
"Factors":{"Group":"wild-captured","Sample":"seminal plasma"},
"Additional sample data":{"RAW_FILE_NAME":"PS4.raw"}
},
{
"Subject ID":"-",
"Sample ID":"PS5",
"Factors":{"Group":"wild-captured","Sample":"seminal plasma"},
"Additional sample data":{"RAW_FILE_NAME":"PS5.raw"}
},
{
"Subject ID":"-",
"Sample ID":"PS6",
"Factors":{"Group":"wild-captured","Sample":"seminal plasma"},
"Additional sample data":{"RAW_FILE_NAME":"PS6.raw"}
},
{
"Subject ID":"-",
"Sample ID":"PS7",
"Factors":{"Group":"wild-captured","Sample":"seminal plasma"},
"Additional sample data":{"RAW_FILE_NAME":"PS7.raw"}
},
{
"Subject ID":"-",
"Sample ID":"PS8",
"Factors":{"Group":"wild-captured","Sample":"seminal plasma"},
"Additional sample data":{"RAW_FILE_NAME":"PS8.raw"}
},
{
"Subject ID":"-",
"Sample ID":"PS9",
"Factors":{"Group":"wild-captured","Sample":"seminal plasma"},
"Additional sample data":{"RAW_FILE_NAME":"PS9.raw"}
},
{
"Subject ID":"-",
"Sample ID":"PS10",
"Factors":{"Group":"wild-captured","Sample":"seminal plasma"},
"Additional sample data":{"RAW_FILE_NAME":"PS10.raw"}
},
{
"Subject ID":"-",
"Sample ID":"PS11",
"Factors":{"Group":"wild-captured","Sample":"seminal plasma"},
"Additional sample data":{"RAW_FILE_NAME":"PS11.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Seminal plasma samples were collected and immediately snap frozen for metabolomics analysis at the end of experiment","SAMPLE_TYPE":"Seminal plasma"},

"TREATMENT":{"TREATMENT_SUMMARY":"Samples were collected from a total of 12 wild small-spotted catsharks from the Mediterranean Sea and 7 aquarium-housed small-spotted catsharks in collaboration with Oceanogràfic of Valencia. Location (wild vs. aquarium). Wild individuals were donated from local fisheries at the Valencian Community and were part of accidental captures intended to commercial fisheries ports at Valencia (39°26′45″N 0°19′12″O), Jávea (38°47′21″N 0°09′47″E) and Cullera port (39°09′58″N 0°15′10″O). Mediterranean Sea water parameters, measured by Valencia buoy (39º52′N0º20′E) were 14.6-19 °C temperature and 34-37 g/l salinity (http://www.puertos.es/es-es/oceanografia/Paginas/portus.aspx). Small-spotted catsharks under managed care were housed at Oceanogràfic of Valencia, Spain, in closed and recirculation system under controlled conditions, monitored water quality (17–21°C, 5.1 mg/l oxygen, 36 g/l salinity and 7.6–8.2 pH), fixed photoperiod (12:12 h) and disinfection using UV light and ozone."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Seminal plasma were subjected to a comparative metabolomics analysis. For aquarium-housed individuals’ 7 samples of both types (Seminal plasma and peripheral blood plasma), were analysed to study the semi-polar and non-polar fractions. For wild-captured individuals’ 12 samples of both types (Seminal plasma and peripheral blood plasma), were analysed to study the semi-polar and non-polar fractions. For semi-polar analysis, metabolites were extracted from 100 μL of each Seminal plasma or peripheral blood plasma samples following a published method with a little modification (Y. Yu et al., 2021). Briefly, samples were dissolved in 200 μL of cold aqueous methanol (75 %), and 200 μL of acetronitrile (75 %), spiked with 10 μg/ml formononetin as internal standard. Then, the mixture was centrifugated at 20,000 xg for 15 min at 4 °C. The supernate (200 μL) was gained, and dried under low-temperature vacuum (Thermo Scientific, USA). The samples were redissolved resuspended with 100 μL of methanol (10 %) and transferred to HPLC tubes and an aliquot of 3 μL was injected for the analysis. For no-polar analysis, metabolites were extracted from 50 μL of each Seminal plasma or peripheral blood plasma samples following a published method with a little modification (Y. Yu et al., 2021). Briefly, samples were dissolved in 300 μL of cold aqueous methanol (100 %), spiked with 50 μg/ml alpha-tocopherol acetate as internal standard. Then, the mixture was swirled for 120 seconds, and 900 μL MTBE and 250 μL ultrapure water were added. After vortexed for 15 mins, the mixture was placed 30 min at 4 ℃. Then, the supernatants (900 μL) were gained, and dried under low-temperature vacuum (Thermo Scientific, USA). The samples were redissolved resuspended with 600 μL of acetonitrile–isopropanol mixture and transferred to HPLC tubes and an aliquot of 3 μL was injected for the analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000","COLUMN_NAME":"Phenomenex Luna (100x2.1, 2.5um)"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"APCI","ION_MODE":"NEGATIVE","MS_COMMENTS":"For the untargeted metabolomic analysis, Compound Discoverer software (Thermofisher Scientific) was used to identify the peaks, peak filtration, and peak alignment, and performed chromatogram alignment, peak picking, and public database (e.g., ChemSpider, KEGG, Metabolika) querying based on accurate masses (m/z).","MS_RESULTS_FILE":"ST002386_AN003888_Results.txt UNITS:m/z ratio Has m/z:Yes Has RT:Yes RT units:Minutes"}

}