{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000918","ANALYSIS_ID":"AN001503","VERSION":"1","CREATED_ON":"07-31-2023"},

"PROJECT":{"PROJECT_TITLE":"Multiplatform plasma metabolic and lipid fingerprinting of breast cancer: a pilot control-case study in Colombian Hispanic women.","PROJECT_SUMMARY":"In this pilot study, a metabolomic approaches was performed to establish a plasma metabolic fingerprint of Colombian Hispanic women with breast cancer. Data from NMR, GC-MS and LC-MS were combined and compared.","INSTITUTE":"Universidad de los Andes, Colombia","DEPARTMENT":"Chemistry","LAST_NAME":"Cala","FIRST_NAME":"Monica","ADDRESS":"Cra. 1 #18a-12","EMAIL":"mp.cala10@uniandes.edu.co","PHONE":"+571 3394949","DOI":"http://dx.doi.org/10.21228/M8QM3R"},

"STUDY":{"STUDY_TITLE":"Plasma metabolic fingerprint for breast cancer (MS) - part I","STUDY_TYPE":"control - case","STUDY_SUMMARY":"Breast cancer is a highly heterogeneous disease associated with metabolic reprogramming. The shifts in the metabolome caused by breast cancer still lack data from Latin populations of Hispanic origin. In this pilot study, metabolomic and lipidomic approaches were performed to establish a plasma metabolic fingerprint of Colombian Hispanic women with breast cancer. NMR, GC-MS and LC-MS datasets were combined and compared. Statistics showed discrimination between breast cancer and healthy subjects on all analytical platforms.","INSTITUTE":"Universidad de los Andes, Colombia","DEPARTMENT":"Chemistry","LAST_NAME":"Cala","FIRST_NAME":"Monica","ADDRESS":"Cra. 1 #18a-12","EMAIL":"mp.cala10@uniandes.edu.co","PHONE":"+571 3394949","SUBMIT_DATE":"2017-12-29"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","AGE_OR_AGE_RANGE":"35 - 65","WEIGHT_OR_WEIGHT_RANGE":"61 - 75","GENDER":"Female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"BCP01",
"Sample ID":"BCP01",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP02",
"Sample ID":"BCP02",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP03",
"Sample ID":"BCP03",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP04",
"Sample ID":"BCP04",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP05",
"Sample ID":"BCP05",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP06",
"Sample ID":"BCP06",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP07",
"Sample ID":"BCP07",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP08",
"Sample ID":"BCP08",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP09",
"Sample ID":"BCP09",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP10",
"Sample ID":"BCP10",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP11",
"Sample ID":"BCP11",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP12",
"Sample ID":"BCP12",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP13",
"Sample ID":"BCP13",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP14",
"Sample ID":"BCP14",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP15",
"Sample ID":"BCP15",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP16",
"Sample ID":"BCP16",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP17",
"Sample ID":"BCP17",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP18",
"Sample ID":"BCP18",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP19",
"Sample ID":"BCP19",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP20",
"Sample ID":"BCP20",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP21",
"Sample ID":"BCP21",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP22",
"Sample ID":"BCP22",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP23",
"Sample ID":"BCP23",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP24",
"Sample ID":"BCP24",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP25",
"Sample ID":"BCP25",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP26",
"Sample ID":"BCP26",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP27",
"Sample ID":"BCP27",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP28",
"Sample ID":"BCP28",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"BCP29",
"Sample ID":"BCP29",
"Factors":{"Disease Status":"Breast cancer patient"}
},
{
"Subject ID":"CP01",
"Sample ID":"CP01",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP02",
"Sample ID":"CP02",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP03",
"Sample ID":"CP03",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP04",
"Sample ID":"CP04",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP05",
"Sample ID":"CP05",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP06",
"Sample ID":"CP06",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP07",
"Sample ID":"CP07",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP08",
"Sample ID":"CP08",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP09",
"Sample ID":"CP09",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP10",
"Sample ID":"CP10",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP11",
"Sample ID":"CP11",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP12",
"Sample ID":"CP12",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP13",
"Sample ID":"CP13",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP14",
"Sample ID":"CP14",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP15",
"Sample ID":"CP15",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP16",
"Sample ID":"CP16",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP17",
"Sample ID":"CP17",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP18",
"Sample ID":"CP18",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP19",
"Sample ID":"CP19",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP20",
"Sample ID":"CP20",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP21",
"Sample ID":"CP21",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP22",
"Sample ID":"CP22",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP23",
"Sample ID":"CP23",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP24",
"Sample ID":"CP24",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP25",
"Sample ID":"CP25",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP26",
"Sample ID":"CP26",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP27",
"Sample ID":"CP27",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP28",
"Sample ID":"CP28",
"Factors":{"Disease Status":"Control patient"}
},
{
"Subject ID":"CP29",
"Sample ID":"CP29",
"Factors":{"Disease Status":"Control patient"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Venous blood samples were taken in the morning after overnight fasting and were collected using K3EDTA tubes","SAMPLE_TYPE":"Blood","COLLECTION_METHOD":"Venous","COLLECTION_FREQUENCY":"one","VOLUMEORAMOUNT_COLLECTED":"5 mL","STORAGE_CONDITIONS":"-80C","ADDITIVES":"K3EDTA","BLOOD_SERUM_OR_PLASMA":"Plasma"},

"TREATMENT":{"TREATMENT_SUMMARY":"None","HUMAN_FASTING":"Overnight"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"40 µL of plasma was deproteinized with cold acetonitrile (1:3,−20 °C), followed by a two-step derivatization: (i) methoximation with O-Methoxyamine hydrochloride in pyridine (15 mg/mL, room temperature, 16 h) followed by (ii) silylation with BSTFA containing 1% TMCS (70 °C, 1 h).","PROCESSING_METHOD":"Protein precipitation followed by metabolite extraction","PROCESSING_STORAGE_CONDITIONS":"On ice","EXTRACTION_METHOD":"Acetonitrile","SAMPLE_DERIVATIZATION":"Methoximation and silylation"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Untargeted GC/MS method","INSTRUMENT_NAME":"Agilent","COLUMN_NAME":"Zebron ZB-5MSi capillary GC","COLUMN_TEMPERATURE":"0-1 min 60ªC 1-33 min to 320ªC","FLOW_RATE":"1.0 mL/min","SAMPLE_INJECTION":"2 uL","CHROMATOGRAPHY_TYPE":"GC"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 5973","INSTRUMENT_TYPE":"Single quadrupole","MS_TYPE":"EI","ION_MODE":"POSITIVE","HELIUM_FLOW":"1.0 mL/min","ION_SOURCE_TEMPERATURE":"150 C","IONIZATION":"Electron ionization","IONIZATION_ENERGY":"70 eV","SOURCE_TEMPERATURE":"230 ºC","SCAN_RANGE_MOVERZ":"50 - 600","SCANNING":"1.38 scan/s"},

"MS_METABOLITE_DATA":{
"Units":"Peak area",

"Data":[{"Metabolite":"1-Monomyristin","BCP01":"0.0331","BCP02":"0.0246","BCP03":"0.0278","BCP04":"0.0282","BCP05":"0.0273","BCP06":"0.0256","BCP07":"0.0368","BCP08":"0.0210","BCP09":"0.0271","BCP10":"0.0258","BCP11":"0.0336","BCP12":"0.0327","BCP13":"0.0336","BCP14":"0.0283","BCP15":"0.0320","BCP16":"0.0262","BCP17":"0.0261","BCP18":"0.0254","BCP19":"0.0233","BCP20":"0.0300","BCP21":"0.0322","BCP22":"0.0309","BCP23":"0.0309","BCP24":"0.0265","BCP25":"0.0303","BCP26":"0.0354","BCP27":"0.0380","BCP28":"0.0412","BCP29":"0.0281","CP01":"0.0415","CP02":"0.0202","CP03":"0.0259","CP04":"0.0312","CP05":"0.0367","CP06":"0.0249","CP07":"0.0275","CP08":"0.0392","CP09":"0.0448","CP10":"0.0330","CP11":"0.0329","CP12":"0.0412","CP13":"0.0232","CP14":"0.0331","CP15":"0.0133","CP16":"0.0361","CP17":"0.0403","CP18":"0.0255","CP19":"0.0377","CP20":"0.0252","CP21":"0.0218","CP22":"0.0240","CP23":"0.0241","CP24":"0.0245","CP25":"0.0244","CP26":"0.0289","CP27":"0.0312","CP28":"0.0304","CP29":"0.0280"},{"Metabolite":"1-Monopalmitin trimethylsilyl ether","BCP01":"0.9747","BCP02":"0.7800","BCP03":"0.7850","BCP04":"0.8203","BCP05":"0.7869","BCP06":"0.7837","BCP07":"1.2302","BCP08":"0.6845","BCP09":"0.7921","BCP10":"0.7900","BCP11":"0.7904","BCP12":"0.9533","BCP13":"0.8658","BCP14":"0.9014","BCP15":"1.0965","BCP16":"0.8124","BCP17":"0.7886","BCP18":"0.9505","BCP19":"0.7505","BCP20":"0.8848","BCP21":"0.8205","BCP22":"0.8748","BCP23":"0.9711","BCP24":"0.7858","BCP25":"0.8071","BCP26":"1.1258","BCP27":"0.9722","BCP28":"0.9826","BCP29":"0.9080","CP01":"1.3048","CP02":"0.7946","CP03":"0.8199","CP04":"1.0507","CP05":"0.8936","CP06":"0.9348","CP07":"0.7413","CP08":"0.9703","CP09":"1.0078","CP10":"0.8552","CP11":"0.8455","CP12":"1.0181","CP13":"0.6785","CP14":"0.8375","CP15":"0.4723","CP16":"0.8105","CP17":"0.9877","CP18":"0.7820","CP19":"0.8465","CP20":"0.9179","CP21":"0.7547","CP22":"0.7722","CP23":"0.7645","CP24":"0.7731","CP25":"0.7810","CP26":"0.8239","CP27":"0.8510","CP28":"0.8427","CP29":"0.8164"},{"Metabolite":"2-hydroxybutyric acid","BCP01":"0.0088","BCP02":"0.0103","BCP03":"0.0158","BCP04":"0.0163","BCP05":"0.0128","BCP06":"0.0065","BCP07":"0.0158","BCP08":"0.0101","BCP09":"0.0130","BCP10":"0.0122","BCP11":"0.0174","BCP12":"0.0199","BCP13":"0.0168","BCP14":"0.0100","BCP15":"0.0104","BCP16":"0.0174","BCP17":"0.0168","BCP18":"0.0125","BCP19":"0.0132","BCP20":"0.0111","BCP21":"0.0115","BCP22":"0.0132","BCP23":"0.0126","BCP24":"0.0162","BCP25":"0.0092","BCP26":"0.0069","BCP27":"0.0067","BCP28":"0.0058","BCP29":"0.0149","CP01":"0.0064","CP02":"0.0112","CP03":"0.0083","CP04":"0.0145","CP05":"0.0096","CP06":"0.0134","CP07":"0.0094","CP08":"0.0118","CP09":"0.0073","CP10":"0.0069","CP11":"0.0065","CP12":"0.0180","CP13":"0.0116","CP14":"0.0120","CP15":"0.0063","CP16":"0.0123","CP17":"0.0151","CP18":"0.0106","CP19":"0.0072","CP20":"0.0136","CP21":"0.0117","CP22":"0.0113","CP23":"0.0119","CP24":"0.0116","CP25":"0.0115","CP26":"0.0118","CP27":"0.0131","CP28":"0.0125","CP29":"0.0122"},{"Metabolite":"2-Hydroxyvaleric acid","BCP01":"0.0021","BCP02":"0.0017","BCP03":"0.0034","BCP04":"0.0017","BCP05":"0.0028","BCP06":"0.0009","BCP07":"0.0019","BCP08":"0.0025","BCP09":"0.0014","BCP10":"0.0012","BCP11":"0.0025","BCP12":"0.0023","BCP13":"0.0020","BCP14":"0.0026","BCP15":"0.0024","BCP16":"0.0023","BCP17":"0.0018","BCP18":"0.0024","BCP19":"0.0019","BCP20":"0.0019","BCP21":"0.0032","BCP22":"0.0027","BCP23":"0.0027","BCP24":"0.0026","BCP25":"0.0017","BCP26":"0.0016","BCP27":"0.0020","BCP28":"0.0010","BCP29":"0.0018","CP01":"0.0020","CP02":"0.0015","CP03":"0.0016","CP04":"0.0015","CP05":"0.0017","CP06":"0.0021","CP07":"0.0022","CP08":"0.0022","CP09":"0.0027","CP10":"0.0020","CP11":"0.0019","CP12":"0.0032","CP13":"0.0017","CP14":"0.0017","CP15":"0.0016","CP16":"0.0022","CP17":"0.0017","CP18":"0.0022","CP19":"0.0021","CP20":"0.0032","CP21":"0.0020","CP22":"0.0021","CP23":"0.0022","CP24":"0.0020","CP25":"0.0021","CP26":"0.0022","CP27":"0.0022","CP28":"0.0021","CP29":"0.0021"},{"Metabolite":"2-Ketobutyric acid","BCP01":"0.0003","BCP02":"0.0002","BCP03":"0.0003","BCP04":"0.0004","BCP05":"0.0003","BCP06":"0.0003","BCP07":"0.0004","BCP08":"0.0004","BCP09":"0.0006","BCP10":"0.0006","BCP11":"0.0005","BCP12":"0.0005","BCP13":"0.0004","BCP14":"0.0004","BCP15":"0.0004","BCP16":"0.0006","BCP17":"0.0005","BCP18":"0.0005","BCP19":"0.0006","BCP20":"0.0004","BCP21":"0.0004","BCP22":"0.0004","BCP23":"0.0004","BCP24":"0.0005","BCP25":"0.0003","BCP26":"0.0003","BCP27":"0.0003","BCP28":"0.0004","BCP29":"0.0006","CP01":"0.0005","CP02":"0.0005","CP03":"0.0005","CP04":"0.0007","CP05":"0.0005","CP06":"0.0006","CP07":"0.0003","CP08":"0.0005","CP09":"0.0004","CP10":"0.0003","CP11":"0.0003","CP12":"0.0006","CP13":"0.0005","CP14":"0.0005","CP15":"0.0003","CP16":"0.0005","CP17":"0.0004","CP18":"0.0003","CP19":"0.0003","CP20":"0.0004","CP21":"0.0004","CP22":"0.0006","CP23":"0.0005","CP24":"0.0005","CP25":"0.0005","CP26":"0.0004","CP27":"0.0005","CP28":"0.0005","CP29":"0.0005"},{"Metabolite":"2-ketoisocaproic acid _R1","BCP01":"0.0049","BCP02":"0.0047","BCP03":"0.0050","BCP04":"0.0049","BCP05":"0.0046","BCP06":"0.0042","BCP07":"0.0046","BCP08":"0.0048","BCP09":"0.0045","BCP10":"0.0047","BCP11":"0.0054","BCP12":"0.0053","BCP13":"0.0046","BCP14":"0.0048","BCP15":"0.0047","BCP16":"0.0041","BCP17":"0.0047","BCP18":"0.0049","BCP19":"0.0047","BCP20":"0.0049","BCP21":"0.0050","BCP22":"0.0051","BCP23":"0.0046","BCP24":"0.0040","BCP25":"0.0049","BCP26":"0.0049","BCP27":"0.0050","BCP28":"0.0052","BCP29":"0.0050","CP01":"0.0048","CP02":"0.0046","CP03":"0.0053","CP04":"0.0048","CP05":"0.0052","CP06":"0.0050","CP07":"0.0051","CP08":"0.0051","CP09":"0.0050","CP10":"0.0050","CP11":"0.0049","CP12":"0.0049","CP13":"0.0050","CP14":"0.0050","CP15":"0.0049","CP16":"0.0044","CP17":"0.0048","CP18":"0.0047","CP19":"0.0052","CP20":"0.0047","CP21":"0.0046","CP22":"0.0045","CP23":"0.0047","CP24":"0.0045","CP25":"0.0048","CP26":"0.0050","CP27":"0.0049","CP28":"0.0051","CP29":"0.0047"},{"Metabolite":"2-ketoisocaproic acid _R2","BCP01":"0.0004","BCP02":"0.0002","BCP03":"0.0003","BCP04":"0.0003","BCP05":"0.0004","BCP06":"0.0002","BCP07":"0.0002","BCP08":"0.0005","BCP09":"0.0003","BCP10":"0.0002","BCP11":"0.0004","BCP12":"0.0006","BCP13":"0.0009","BCP14":"0.0003","BCP15":"0.0003","BCP16":"0.0005","BCP17":"0.0004","BCP18":"0.0002","BCP19":"0.0004","BCP20":"0.0005","BCP21":"0.0004","BCP22":"0.0003","BCP23":"0.0003","BCP24":"0.0003","BCP25":"0.0006","BCP26":"0.0004","BCP27":"0.0005","BCP28":"0.0001","BCP29":"0.0003","CP01":"0.0001","CP02":"0.0003","CP03":"0.0003","CP04":"0.0005","CP05":"0.0004","CP06":"0.0005","CP07":"0.0007","CP08":"0.0006","CP09":"0.0007","CP10":"0.0003","CP11":"0.0004","CP12":"0.0006","CP13":"0.0003","CP14":"0.0003","CP15":"0.0003","CP16":"0.0005","CP17":"0.0004","CP18":"0.0002","CP19":"0.0002","CP20":"0.0004","CP21":"0.0004","CP22":"0.0003","CP23":"0.0004","CP24":"0.0003","CP25":"0.0003","CP26":"0.0004","CP27":"0.0004","CP28":"0.0004","CP29":"0.0004"},{"Metabolite":"2-Monostearin 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