{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001113","ANALYSIS_ID":"AN001809","VERSION":"1","CREATED_ON":"December 12, 2018, 12:17 am"},

"PROJECT":{"PROJECT_TITLE":"Exposure to Oral Contraceptives Alters Human Endometrial Stem Cells Culture Media Metabolomics","PROJECT_SUMMARY":"The project analyzed the effect of oral contraceptives in the metabolism of endometrial mesenchmal stem cells, via culture media quantitative metabolomics.","INSTITUTE":"Sao Paulo Federal University","LAST_NAME":"Bertuccez Cordeiro","FIRST_NAME":"Fernanda","ADDRESS":"Rua Embau, 231, Vila Clementino, Sao Paulo, São Paulo, 04039-060, Brazil","EMAIL":"fernandabertuccez85@gmail.com","PHONE":"5511996667402"},

"STUDY":{"STUDY_TITLE":"Exposure to Oral Contraceptives Alters Human Endometrial Stem Cells Culture Media Metabolomics","STUDY_SUMMARY":"Although the effects of oral contraceptives (OCs) in the endometrium has been well established, its influence in the production and metabolism of endometrial mesenchymal stem cells (EnMSC) remains unclear. Therefore, we analyzed the effect of OCs in the EnMSC secretome by culture media quantitative metabolomics. The EnMSC were collected from menstrual shedding of five donors (OC group, n=3; control, non-OC group, n=2) and cultured for three passages. Cells characterization was performed by flow cytometry, and culture media was collected at the end of each passage for further quantitative metabolomics. The metabolites with higher discriminant power for sample classification were Alanine, PC aa C30:0, c4-OH-Pro, PC aa C32:2, PC ae C32:2, PC ae C40:2, glycine and PC ae C32:1 for the OC group, whereas PC aa C36:6, PC aa C34:4, SM OH C16:1, SM C26:0, PC aa C38:0, serine and PC aa C36:5 were representative of the non-OC group. This panel of metabolites showed 98% of sensitivity in sample classification according with respective groups. Altered concentrations of metabolites may be an effect of OC hormonal properties on EnMSC metabolism. Thus, this metabolomic approach could assist in the management of future stem cell therapies according to patients’ specific responses to hormone treatments.","INSTITUTE":"Sao Paulo Federal University","LAST_NAME":"Cordeiro","FIRST_NAME":"Fernanda","ADDRESS":"Rua Embau, 231, Vila Clementino","EMAIL":"fernandabertuccez85@gmail.com","PHONE":"11996667402"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Woman"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"R1",
"Factors":{"Study Group":"OC"},
"Additional sample data":{"Amount of sample":"10 µL","Extraction":"5 mM ammonium acetate in methanol","Method of analysis":"MRM by flow injection"}
},
{
"Subject ID":"-",
"Sample ID":"R2",
"Factors":{"Study Group":"OC"},
"Additional sample data":{"Amount of sample":"10 µL","Extraction":"5 mM ammonium acetate in methanol","Method of analysis":"MRM by flow injection"}
},
{
"Subject ID":"-",
"Sample ID":"R3",
"Factors":{"Study Group":"OC"},
"Additional sample data":{"Amount of sample":"10 µL","Extraction":"5 mM ammonium acetate in methanol","Method of analysis":"MRM by flow injection"}
},
{
"Subject ID":"-",
"Sample ID":"R4",
"Factors":{"Study Group":"OC"},
"Additional sample data":{"Amount of sample":"10 µL","Extraction":"5 mM ammonium acetate in methanol","Method of analysis":"MRM by flow injection"}
},
{
"Subject ID":"-",
"Sample ID":"R5",
"Factors":{"Study Group":"OC"},
"Additional sample data":{"Amount of sample":"10 µL","Extraction":"5 mM ammonium acetate in methanol","Method of analysis":"MRM by flow injection"}
},
{
"Subject ID":"-",
"Sample ID":"R6",
"Factors":{"Study Group":"OC"},
"Additional sample data":{"Amount of sample":"10 µL","Extraction":"5 mM ammonium acetate in methanol","Method of analysis":"MRM by flow injection"}
},
{
"Subject ID":"-",
"Sample ID":"R7",
"Factors":{"Study Group":"non-OC"},
"Additional sample data":{"Amount of sample":"10 µL","Extraction":"5 mM ammonium acetate in methanol","Method of analysis":"MRM by flow injection"}
},
{
"Subject ID":"-",
"Sample ID":"R8",
"Factors":{"Study Group":"non-OC"},
"Additional sample data":{"Amount of sample":"10 µL","Extraction":"5 mM ammonium acetate in methanol","Method of analysis":"MRM by flow injection"}
},
{
"Subject ID":"-",
"Sample ID":"R9",
"Factors":{"Study Group":"non-OC"},
"Additional sample data":{"Amount of sample":"10 µL","Extraction":"5 mM ammonium acetate in methanol","Method of analysis":"MRM by flow injection"}
},
{
"Subject ID":"-",
"Sample ID":"R10",
"Factors":{"Study Group":"non-OC"},
"Additional sample data":{"Amount of sample":"10 µL","Extraction":"5 mM ammonium acetate in methanol","Method of analysis":"MRM by flow injection"}
},
{
"Subject ID":"-",
"Sample ID":"R11",
"Factors":{"Study Group":"non-OC"},
"Additional sample data":{"Amount of sample":"10 µL","Extraction":"5 mM ammonium acetate in methanol","Method of analysis":"MRM by flow injection"}
},
{
"Subject ID":"-",
"Sample ID":"R12",
"Factors":{"Study Group":"non-OC"},
"Additional sample data":{"Amount of sample":"10 µL","Extraction":"5 mM ammonium acetate in methanol","Method of analysis":"MRM by flow injection"}
},
{
"Subject ID":"-",
"Sample ID":"R13",
"Factors":{"Study Group":"OC"},
"Additional sample data":{"Amount of sample":"10 µL","Extraction":"5 mM ammonium acetate in methanol","Method of analysis":"MRM by flow injection"}
},
{
"Subject ID":"-",
"Sample ID":"R14",
"Factors":{"Study Group":"OC"},
"Additional sample data":{"Amount of sample":"10 µL","Extraction":"5 mM ammonium acetate in methanol","Method of analysis":"MRM by flow injection"}
},
{
"Subject ID":"-",
"Sample ID":"R15",
"Factors":{"Study Group":"OC"},
"Additional sample data":{"Amount of sample":"10 µL","Extraction":"5 mM ammonium acetate in methanol","Method of analysis":"MRM by flow injection"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"The endometrial mesenchymal stem cells (EnMSC) were collected from menstrual shedding, isolated and cultured in vitro from donors who used or not oral contraceptives. The EnMSC were grown up until the second passage (P2) and 24h before the end of each passage (P0, P1 and P2) the culture medium was completely replaced for the collection. The samples were centrifuged at 400 × g for 5 minutes, filtered with 0,2 µm filter and stored at -80 ºC until the metabolomics analysis without any extraction method.","SAMPLE_TYPE":"Stem cells culture media"},

"TREATMENT":{"TREATMENT_SUMMARY":"Culture media samples were collected by the end of each passage, kept under -20C until the moment of analysis."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"The endometrial mesenchymal stem cells (EnMSC) were collected from menstrual shedding, isolated and cultured in vitro from donors who used or not oral contraceptives. The EnMSC were grown up until the second passage (P2) and 24h before the end of each passage (P0, P1 and P2) the culture medium was completely replaced for the collection. The samples were centrifuged at 400 × g for 5 minutes, filtered with 0,2 µm filter and stored at -80 ºC until the metabolomics analysis without any extraction method."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"None (Direct infusion)","INSTRUMENT_NAME":"None","COLUMN_NAME":"none"},

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

"MS":{"MS_COMMENTS":"-","ANALYSIS_TYPE":"MS","INSTRUMENT_NAME":"ABI Sciex 4000 QTrap","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED"},

"MS_METABOLITE_DATA":{
"Units":"umol",

"Data":[{"Metabolite":"Alanine","R1":"457.000","R2":"477.000","R3":"458.000","R4":"468.000","R5":"498.000","R6":"489.000","R7":"441.000","R8":"442.000","R9":"446.000","R10":"442.000","R11":"454.000","R12":"453.000","R13":"602.000","R14":"468.000","R15":"473.000"},{"Metabolite":"Arginine","R1":"398.000","R2":"336.000","R3":"366.000","R4":"300.000","R5":"343.000","R6":"417.000","R7":"365.000","R8":"310.000","R9":"357.000","R10":"386.000","R11":"388.000","R12":"347.000","R13":"326.000","R14":"409.000","R15":"356.000"},{"Metabolite":"Asparagine","R1":"161.000","R2":"152.000","R3":"172.000","R4":"136.000","R5":"143.000","R6":"161.000","R7":"162.000","R8":"162.000","R9":"165.000","R10":"159.000","R11":"159.000","R12":"155.000","R13":"107.000","R14":"161.000","R15":"161.000"},{"Metabolite":"Aspartic Acid","R1":"262.000","R2":"254.000","R3":"249.000","R4":"242.000","R5":"253.000","R6":"256.000","R7":"219.000","R8":"237.000","R9":"237.000","R10":"258.000","R11":"244.000","R12":"233.000","R13":"188.000","R14":"259.000","R15":"237.000"},{"Metabolite":"Citrulline","R1":"9.380","R2":"9.630","R3":"8.240","R4":"9.740","R5":"9.200","R6":"8.500","R7":"8.520","R8":"9.640","R9":"9.680","R10":"8.910","R11":"8.340","R12":"8.720","R13":"10.600","R14":"10.200","R15":"8.870"},{"Metabolite":"Glutamine","R1":"864.000","R2":"2211.000","R3":"2239.000","R4":"580.000","R5":"2241.000","R6":"2622.000","R7":"2368.000","R8":"2031.000","R9":"1690.000","R10":"2580.000","R11":"2035.000","R12":"1801.000","R13":"1044.000","R14":"1877.000","R15":"1628.000"},{"Metabolite":"Glutamic Acid","R1":"815.000","R2":"1004.000","R3":"971.000","R4":"748.000","R5":"990.000","R6":"903.000","R7":"853.000","R8":"942.000","R9":"926.000","R10":"769.000","R11":"763.000","R12":"848.000","R13":"1175.000","R14":"862.000","R15":"819.000"},{"Metabolite":"Glycine","R1":"605.000","R2":"584.000","R3":"604.000","R4":"495.000","R5":"589.000","R6":"697.000","R7":"551.000","R8":"537.000","R9":"589.000","R10":"561.000","R11":"590.000","R12":"570.000","R13":"651.000","R14":"646.000","R15":"597.000"},{"Metabolite":"Histidine","R1":"213.000","R2":"205.000","R3":"207.000","R4":"173.000","R5":"197.000","R6":"236.000","R7":"208.000","R8":"182.000","R9":"190.000","R10":"216.000","R11":"211.000","R12":"198.000","R13":"195.000","R14":"218.000","R15":"202.000"},{"Metabolite":"Isoleucine","R1":"686.000","R2":"619.000","R3":"609.000","R4":"590.000","R5":"608.000","R6":"711.000","R7":"659.000","R8":"570.000","R9":"589.000","R10":"668.000","R11":"682.000","R12":"631.000","R13":"648.000","R14":"675.000","R15":"633.000"},{"Metabolite":"Leucine","R1":"716.000","R2":"639.000","R3":"638.000","R4":"584.000","R5":"621.000","R6":"714.000","R7":"671.000","R8":"591.000","R9":"611.000","R10":"701.000","R11":"709.000","R12":"652.000","R13":"663.000","R14":"710.000","R15":"660.000"},{"Metabolite":"Lysine","R1":"833.000","R2":"792.000","R3":"879.000","R4":"779.000","R5":"812.000","R6":"868.000","R7":"821.000","R8":"793.000","R9":"830.000","R10":"797.000","R11":"809.000","R12":"818.000","R13":"797.000","R14":"836.000","R15":"795.000"},{"Metabolite":"Methionine","R1":"213.000","R2":"194.000","R3":"195.000","R4":"168.000","R5":"190.000","R6":"227.000","R7":"208.000","R8":"181.000","R9":"186.000","R10":"219.000","R11":"213.000","R12":"197.000","R13":"190.000","R14":"219.000","R15":"198.000"},{"Metabolite":"Ornithine","R1":"58.700","R2":"36.300","R3":"26.700","R4":"38.500","R5":"34.800","R6":"39.200","R7":"38.600","R8":"33.600","R9":"33.100","R10":"49.900","R11":"45.800","R12":"42.900","R13":"58.900","R14":"54.200","R15":"48.200"},{"Metabolite":"Phenylalanine","R1":"415.000","R2":"377.000","R3":"377.000","R4":"337.000","R5":"368.000","R6":"431.000","R7":"384.000","R8":"347.000","R9":"366.000","R10":"399.000","R11":"403.000","R12":"379.000","R13":"390.000","R14":"399.000","R15":"386.000"},{"Metabolite":"Proline","R1":"366.000","R2":"387.000","R3":"426.000","R4":"289.000","R5":"375.000","R6":"430.000","R7":"348.000","R8":"366.000","R9":"351.000","R10":"352.000","R11":"355.000","R12":"349.000","R13":"378.000","R14":"361.000","R15":"367.000"},{"Metabolite":"Serine","R1":"363.000","R2":"233.000","R3":"234.000","R4":"249.000","R5":"230.000","R6":"277.000","R7":"347.000","R8":"241.000","R9":"242.000","R10":"360.000","R11":"335.000","R12":"285.000","R13":"97.000","R14":"316.000","R15":"274.000"},{"Metabolite":"Threonine","R1":"810.000","R2":"763.000","R3":"782.000","R4":"727.000","R5":"763.000","R6":"776.000","R7":"755.000","R8":"733.000","R9":"781.000","R10":"761.000","R11":"751.000","R12":"745.000","R13":"764.000","R14":"770.000","R15":"732.000"},{"Metabolite":"Tryptophan","R1":"87.200","R2":"82.500","R3":"80.100","R4":"65.000","R5":"77.800","R6":"94.500","R7":"85.800","R8":"75.800","R9":"79.400","R10":"88.800","R11":"89.200","R12":"81.300","R13":"78.600","R14":"88.700","R15":"83.200"},{"Metabolite":"Tyrosine","R1":"390.000","R2":"375.000","R3":"376.000","R4":"302.000","R5":"359.000","R6":"426.000","R7":"376.000","R8":"342.000","R9":"362.000","R10":"395.000","R11":"400.000","R12":"373.000","R13":"386.000","R14":"407.000","R15":"385.000"},{"Metabolite":"Valine","R1":"821.000","R2":"758.000","R3":"735.000","R4":"681.000","R5":"731.000","R6":"847.000","R7":"780.000","R8":"702.000","R9":"705.000","R10":"802.000","R11":"793.000","R12":"746.000","R13":"764.000","R14":"811.000","R15":"767.000"},{"Metabolite":"Ac-Orn","R1":"0.000","R2":"0.000","R3":"0.000","R4":"0.000","R5":"0.000","R6":"0.000","R7":"0.000","R8":"0.000","R9":"0.000","R10":"0.000","R11":"0.000","R12":"0.000","R13":"0.000","R14":"0.000","R15":"0.000"},{"Metabolite":"NG,NG-Dimethyl-L-arginine","R1":"0.686","R2":"0.847","R3":"0.759","R4":"0.753","R5":"0.812","R6":"0.738","R7":"0.674","R8":"0.825","R9":"0.838","R10":"0.616","R11":"0.565","R12":"0.722","R13":"0.923","R14":"0.685","R15":"0.720"},{"Metabolite":"alpha-aminoadipate","R1":"1.820","R2":"2.060","R3":"2.000","R4":"2.250","R5":"2.020","R6":"1.990","R7":"2.030","R8":"4.010","R9":"2.710","R10":"1.930","R11":"1.550","R12":"2.290","R13":"1.910","R14":"1.940","R15":"2.210"},{"Metabolite":"c4-OH-Pro","R1":"0.147","R2":"0.000","R3":"0.148","R4":"0.000","R5":"0.147","R6":"0.152","R7":"0.000","R8":"0.000","R9":"0.000","R10":"0.000","R11":"0.000","R12":"0.148","R13":"0.000","R14":"0.152","R15":"0.149"},{"Metabolite":"Carnosine","R1":"5.010","R2":"4.470","R3":"3.450","R4":"3.640","R5":"4.210","R6":"4.290","R7":"4.830","R8":"4.180","R9":"4.430","R10":"4.990","R11":"4.490","R12":"4.720","R13":"4.480","R14":"5.040","R15":"4.920"},{"Metabolite":"Creatinine"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"Metabolites":[{"Metabolite":"Alanine","KEGG":"C00041"},{"Metabolite":"Arginine","KEGG":"C00062"},{"Metabolite":"Asparagine","KEGG":"C00152"},{"Metabolite":"Aspartic Acid","KEGG":"C00402"},{"Metabolite":"Citrulline","KEGG":"C00327"},{"Metabolite":"Glutamine","KEGG":"C00064"},{"Metabolite":"Glutamic 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C44:3","KEGG":"C00157"},{"Metabolite":"Phosphatidylcholine acyl-alkyl C44:4","KEGG":"C00157"},{"Metabolite":"Phosphatidylcholine acyl-alkyl C44:5","KEGG":"C00157"},{"Metabolite":"Phosphatidylcholine acyl-alkyl C44:6","KEGG":"C00157"},{"Metabolite":"Hydroxysphingomyeline C 14:1","KEGG":"C00550"},{"Metabolite":"Hydroxysphingomyeline C16:1","KEGG":"C00550"},{"Metabolite":"Hydroxysphingomyeline C22:1","KEGG":"C00550"},{"Metabolite":"Hydroxysphingomyeline C22:2","KEGG":"C00550"},{"Metabolite":"Hydroxysphingomyeline C24:1","KEGG":"C00550"},{"Metabolite":"Sphingomyeline C16:0","KEGG":"C00550"},{"Metabolite":"Sphingomyeline C16:1","KEGG":"C00550"},{"Metabolite":"Sphingomyeline C18:0","KEGG":"C00550"},{"Metabolite":"Sphingomyeline C18:1","KEGG":"C00550"},{"Metabolite":"Sphingomyeline C20:2","KEGG":"C00550"},{"Metabolite":"Sphingomyeline C22:3","KEGG":"C00550"},{"Metabolite":"Sphingomyeline C24:0","KEGG":"C00550"},{"Metabolite":"Sphingomyeline 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}

}