{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001362","ANALYSIS_ID":"AN002268","VERSION":"1","CREATED_ON":"April 15, 2020, 5:32 pm"},

"PROJECT":{"PROJECT_TITLE":"California mouse fecal metabolite analysis","PROJECT_SUMMARY":"Xenoestrogens are found in plant products, such as genistein (GEN), or industrial chemicals, such as bisphenol A (BPA), present in consumer products that are also pervasive in the environment. Early exposure to such endocrine disrupting chemicals (EDC) may affect neural development by inducing direct neural effects and/or through the microbiome-gut-brain axis. To test this hypothesis, California mice (Peromyscus californicus) offspring were exposed through the maternal diet to GEN (250 mg/kg feed weight) or BPA (5 mg/kg feed weight, low dose- LD and 50 mg/kg, upper dose-UD), and dams were placed on these diets two weeks prior to breeding, throughout gestation, and lactation. Various behaviors, gut microbiome, and fecal metabolome were assessed starting at 90 days of age. The LD but not UD of BPA resulted in individuals spending more time engaging in repetitive behaviors. GEN exposed individuals were more likely to exhibit such behaviors and showed socio-communicative disturbances. BPA and GEN exposed females had increased number of metabolites involved in carbohydrate metabolism and synthesis.. Males exposed to BPA or GEN showed alterations in lysine degradation and phenylalanine and tyrosine metabolism. Current findingsindicate cause for concern that developmental exposure to BPA or GEN might affect the microbiome-gut-brain axis.","INSTITUTE":"University of Missouri","DEPARTMENT":"MU Metabolomics Center","LAST_NAME":"Sarma","FIRST_NAME":"Saurav","ADDRESS":"1201 Rollins Street, 243 Bond Life Sciences Center, University of Missouri, Columbia, MO, 65201, USA","EMAIL":"sarmas@missouri.edu","PHONE":"5738825596"},

"STUDY":{"STUDY_TITLE":"California mouse fecal metabolite analysis","STUDY_TYPE":"Effect of BPA and genistein exposure on the fecal metabolome","STUDY_SUMMARY":"Xenoestrogens are found in plant products, such as genistein (GEN), or industrial chemicals, such as bisphenol A (BPA), present in consumer products that are also pervasive in the environment. Early exposure to such endocrine disrupting chemicals (EDC) may affect neural development by inducing direct neural effects and/or through the microbiome-gut-brain axis. To test this hypothesis, California mice (Peromyscus californicus) offspring were exposed through the maternal diet to GEN (250 mg/kg feed weight) or BPA (5 mg/kg feed weight, low dose- LD and 50 mg/kg, upper dose-UD), and dams were placed on these diets two weeks prior to breeding, throughout gestation, and lactation. Various behaviors, gut microbiome, and fecal metabolome were assessed starting at 90 days of age. The LD but not UD of BPA resulted in individuals spending more time engaging in repetitive behaviors. GEN exposed individuals were more likely to exhibit such behaviors and showed socio-communicative disturbances. BPA and GEN exposed females had increased number of metabolites involved in carbohydrate metabolism and synthesis.. Males exposed to BPA or GEN showed alterations in lysine degradation and phenylalanine and tyrosine metabolism. Current findingsindicate cause for concern that developmental exposure to BPA or GEN might affect the microbiome-gut-brain axis.","INSTITUTE":"University of Missouri","DEPARTMENT":"MU Metabolomics Center","LAST_NAME":"Sarma","FIRST_NAME":"Saurav","ADDRESS":"1201 Rollins street, 243 Bond Life Science Center, University of Missouri, Columbia, MO 65211, USA","EMAIL":"sarmas@missouri.edu","PHONE":"3366713357","NUM_GROUPS":"8","TOTAL_SUBJECTS":"78","NUM_MALES":"37","NUM_FEMALES":"41"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Peromyscus californicus","TAXONOMY_ID":"42520","AGE_OR_AGE_RANGE":"PND90","GENDER":"Male and female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"1560-M-AIN",
"Factors":{"Exposure":"AIN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1560-M-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1561-F-AIN",
"Factors":{"Exposure":"AIN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1561-F-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1627-M-AIN",
"Factors":{"Exposure":"AIN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1627-M-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1626-F-AIN",
"Factors":{"Exposure":"AIN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1626-F-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1672-F-AIN",
"Factors":{"Exposure":"AIN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1672-F-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1632-M-AIN",
"Factors":{"Exposure":"AIN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1632-M-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1620-M-AIN",
"Factors":{"Exposure":"AIN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1620-M-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1642-F-AIN",
"Factors":{"Exposure":"AIN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1642-F-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1764-M-AIN",
"Factors":{"Exposure":"AIN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1764-M-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1765-F-AIN",
"Factors":{"Exposure":"AIN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1765-F-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1702-F-AIN",
"Factors":{"Exposure":"AIN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1702-F-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1623-M-AIN",
"Factors":{"Exposure":"AIN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1623-M-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1622-F-AIN",
"Factors":{"Exposure":"AIN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1622-F-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1745-F-AIN",
"Factors":{"Exposure":"AIN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1745-F-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1744-M-AIN",
"Factors":{"Exposure":"AIN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1744-M-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1619-M-AIN",
"Factors":{"Exposure":"AIN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1619-M-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1618-F-AIN",
"Factors":{"Exposure":"AIN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1618-F-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1587-F-AIN",
"Factors":{"Exposure":"AIN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1587-F-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1609-M-AIN",
"Factors":{"Exposure":"AIN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1609-M-AIN"}
},
{
"Subject ID":"-",
"Sample ID":"1788-F-GEN",
"Factors":{"Exposure":"GEN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1788-F-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"1819-M-GEN",
"Factors":{"Exposure":"GEN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1819-M-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"1975-M-GEN",
"Factors":{"Exposure":"GEN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1975-M-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"1925-F-GEN",
"Factors":{"Exposure":"GEN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1925-F-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"1884-M-GEN",
"Factors":{"Exposure":"GEN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1884-M-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"1912-F-GEN",
"Factors":{"Exposure":"GEN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1912-F-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"1926-F-GEN",
"Factors":{"Exposure":"GEN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1926-F-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"1993-M-GEN",
"Factors":{"Exposure":"GEN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1993-M-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"1940-F-GEN",
"Factors":{"Exposure":"GEN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1940-F-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"1965-M-GEN",
"Factors":{"Exposure":"GEN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1965-M-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"1808-M-GEN",
"Factors":{"Exposure":"GEN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1808-M-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"1911-F-GEN",
"Factors":{"Exposure":"GEN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1911-F-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"1738-M-GEN",
"Factors":{"Exposure":"GEN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1738-M-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"1763-F-GEN",
"Factors":{"Exposure":"GEN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1763-F-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"1829-F-GEN",
"Factors":{"Exposure":"GEN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1829-F-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"1830-M-GEN",
"Factors":{"Exposure":"GEN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1830-M-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"2021-M-GEN",
"Factors":{"Exposure":"GEN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"2021-M-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"2022-F-GEN",
"Factors":{"Exposure":"GEN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"2022-F-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"2040-F-GEN",
"Factors":{"Exposure":"GEN","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"2040-F-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"2041-M-GEN",
"Factors":{"Exposure":"GEN","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"2041-M-GEN"}
},
{
"Subject ID":"-",
"Sample ID":"1800-M-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1800-M-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1827-F-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1827-F-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1682-F-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1682-F-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1747-M-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1747-M-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1651-M-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1651-M-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1652-F-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1652-F-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1689-F-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1689-F-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1690-M-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1690-M-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1614-F-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1614-F-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1615-M-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1615-M-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1612-F-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1612-F-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1613-M-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1613-M-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1606-M-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1606-M-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1607-F-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1607-F-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1688-M-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1688-M-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"2004-F-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"2004-F-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"2037-M-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"2037-M-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"2038-F-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"2038-F-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"2006-F-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"2006-F-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"2028-M-UD BPA",
"Factors":{"Exposure":"UD BPA","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"2028-M-UD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1991-F-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1991-F-LD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1992-M-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1992-M-LD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1848-F-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1848-F-LD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"2008-M-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"2008-M-LD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1913-M-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1913-M-LD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1914-F-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1914-F-LD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"2010-M-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"2010-M-LD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1791-F-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1791-F-LD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1854-F-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1854-F-LD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1910-M-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"1910-M-LD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"2019-M-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"2019-M-LD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"2001-F-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"2001-F-LD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1953-F-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1953-F-LD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"1923-F-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"1923-F-LD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"2005-F-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"2005-F-LD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"2056-M-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"2056-M-LD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"2009-F-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"2009-F-LD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"2049-M-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"M"},
"Additional sample data":{"RAW_FILE_NAME":"2049-M-LD BPA"}
},
{
"Subject ID":"-",
"Sample ID":"2007-F-LD BPA",
"Factors":{"Exposure":"LD BPA","Gender":"F"},
"Additional sample data":{"RAW_FILE_NAME":"2007-F-LD BPA"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Fecal boli were collected at PND 90, snap frozen in LN2, stored in -80 freezer until processing","SAMPLE_TYPE":"Feces","COLLECTION_METHOD":"Snap freezen in LN2 right after excretion","COLLECTION_LOCATION":"Animal Science Research Center, University of Missouri, Columbia","COLLECTION_FREQUENCY":"1 time from each animal","VOLUMEORAMOUNT_COLLECTED":"3-4 boli","STORAGE_CONDITIONS":"-20℃","COLLECTION_VIALS":"2mL vials","STORAGE_VIALS":"2mL vials"},

"TREATMENT":{"TREATMENT_SUMMARY":"2 weeks before breeding and during gestation, dams were fed estrogen-free AIN 93G or AIN 93G diet containing LD BPA, UD BPA or genistein untill one male and one female pups weaned. F1 pups fed on AIN 93G diet after weaning.","TREATMENT":"diet","TREATMENT_ROUTE":"oral","TREATMENT_DOSE":"Genistein: 250 mg/kg feed weight; BPA: 5 mg/kg feed weight for LD BPA and 50 mg/kg feed weight for UD BPA group","TREATMENT_DOSEDURATION":"2 weeks before breeding and untill one male and one female pups weaned.","TREATMENT_VEHICLE":"AIN control diet","ANIMAL_ENDP_TISSUE_COLL_LIST":"Fecal","TREATMENT_COMPOUND":"Genistein and Bisphenol A"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Fecal samples were snap frozen in liqud nitrogen and no further preparation","PROCESSING_METHOD":"Fecal samples were lyophilized for 24 h before weighing","PROCESSING_STORAGE_CONDITIONS":"-20℃","EXTRACTION_METHOD":"For LCMS analysis lyophilized fecal sample was extracted with 80% Methanol containg 18 µg/ml of umbelliferon, sonicated and vortexed 20 seconds each, shaken at 140 rpmfor 2 h. For GCMS-polar analysis samples were extracted with water, containing 25 μg/ml ribitol, vortex for 20 seconds, sonicated for 20 seconds, incubated at 50C for 1h. For GCMS-nonpolar samples were extracted with chloroform, containing 10 μl/ml docosanol, vortex for 20 seconds, sonicated for 20 second, incubated at 50C for 1h.","EXTRACT_ENRICHMENT":"Solution were centrifuged at 3000g for 40 min then extracted 0.5 mL of supernatant for LCMS, 1 mL each of supernatant was collected for GCMS-polar and GCMS-nonpolar analysis.","EXTRACT_STORAGE":"-20℃","SAMPLE_RESUSPENSION":"For GCMS analysis extracts dried under nitrogen flow and storred at -20C then resuspended in 25 μl of pyridine containing 15 mg/ml methoxyamine hydrochloride","SAMPLE_DERIVATIZATION":"GCMS samples were derivatized with 25 μl MSTFA (N-methyl-N-(trimethyl-silyl)trifluoroacetamide) + 1% TMCS (chlorotrimethylsilane)","SAMPLE_SPIKING":"Umbelliferon, ribitol and docosanol were used as internal standard for LCMS, GCMS-polar and GCMS-nonpolar respectively."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"1:1 split for GCMS-nonpolar injection with 1uL injection volume.","CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Agilent 6890N","COLUMN_NAME":"DB-5MS (J&W Scientific) 60m","FLOW_RATE":"1mL/Min of Helium gas","COLUMN_TEMPERATURE":"variable between 80-315","COLUMN_PRESSURE":"variable","INTERNAL_STANDARD":"Docosanol","RETENTION_TIME":"9 to 61 min","SAMPLE_INJECTION":"1:1 split injection with 1uL injection volume","ANALYTICAL_TIME":"61 min"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 5973","INSTRUMENT_TYPE":"Single quadrupole","MS_TYPE":"EI","ION_MODE":"POSITIVE","MS_COMMENTS":"Agilent Chemstation software for data acquisition and AMDIS and MetIdea for data analysis","HELIUM_FLOW":"1mL/min","ION_SOURCE_TEMPERATURE":"230","IONIZATION_ENERGY":"70ev","REAGENT_GAS":"Helium","SOURCE_TEMPERATURE":"230","DATAFORMAT":".d","MS_RESULTS_FILE":"ST001362_AN002268_Results.txt UNITS:intensity Has m/z:Yes Has RT:Yes RT units:Minutes"}

}