{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003673","ANALYSIS_ID":"AN006031","PROJECT_ID":"PR002278","VERSION":"1","CREATED_ON":"January 17, 2025, 3:41 pm"},

"PROJECT":{"PROJECT_TITLE":"Identification of plasma metabolites responding to oxycodone exposure in rats.","PROJECT_SUMMARY":"Metabolomics studies of prescription opioid medications including oxycodone can provide insights into biochemical mechanisms of the addiction cycle and prognosis prediction. Although oxycodone has an elevated abuse liability profile compared to other opioids, many human and rodent metabolomics studies have not been specifically focused on oxycodone. In this study, we investigated metabolomics changes associated with oxycodone exposure using plasma samples from 16 rats at pre-exposure and intoxication time points.","INSTITUTE":"University of Colorado Anschutz Medical Campus","DEPARTMENT":"Biostatistics and Informatics","LABORATORY":"KechrisLab","LAST_NAME":"Kechris","FIRST_NAME":"Katerina","ADDRESS":"13001 E 17th Pl, Aurora, CO 80045","EMAIL":"katerina.kechris@cuanschutz.edu","PHONE":"(303)724-4363","FUNDING_SOURCE":"DA044451"},

"STUDY":{"STUDY_TITLE":"Identification of plasma metabolites responding to oxycodone exposure in rats","STUDY_SUMMARY":"Metabolomics studies of prescription opioid medications including oxycodone can provide insights into biochemical mechanisms of the addiction cycle and prognosis prediction. Although oxycodone has an elevated abuse liability profile compared to other opioids, many human and rodent metabolomics studies have not been specifically focused on oxycodone. In this study, we investigated metabolomics changes associated with oxycodone exposure using plasma samples from 16 rats at pre-exposure and intoxication time points. Among the 798 metabolites with low levels of missingness, 364 showed significant changes be-tween pre-exposure and intoxication (FDR < 0.01) including succinate, oleamide, and sarcosine. We identified four pathways including tryptophan metabolism that were nominally enriched among the metabolites that change with oxycodone exposure (p < 0.05). Furthermore, we identified sev-eral metabolites that showed nominal correlations with the Addiction Index (composite of ox-ycodone behaviors), 17 at pre-exposure and 8 at intoxication.","INSTITUTE":"University of Colorado Anschutz Medical Campus","LAST_NAME":"Kechris","FIRST_NAME":"Katerina","ADDRESS":"13001 E 17th Pl, Aurora, CO 80045","EMAIL":"katerina.kechris@cuanschutz.edu","PHONE":"(303) 724-4363"},

"SUBJECT":{"SUBJECT_TYPE":"Other organism","SUBJECT_SPECIES":"Rattus norvegicus","TAXONOMY_ID":"10116"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"F1417",
"Sample ID":"UNCO-05151",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"F1423",
"Sample ID":"UNCO-05152",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"F1422",
"Sample ID":"UNCO-05153",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"F1421",
"Sample ID":"UNCO-05154",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"M1474",
"Sample ID":"UNCO-05155",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"M1454",
"Sample ID":"UNCO-05156",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"M1478",
"Sample ID":"UNCO-05157",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"M1463",
"Sample ID":"UNCO-05158",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"F1419",
"Sample ID":"UNCO-05159",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"F1403",
"Sample ID":"UNCO-05160",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"F1404",
"Sample ID":"UNCO-05161",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"M1473",
"Sample ID":"UNCO-05162",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"M1466",
"Sample ID":"UNCO-05163",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"M1451",
"Sample ID":"UNCO-05164",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"M1455",
"Sample ID":"UNCO-05165",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"F1530",
"Sample ID":"UNCO-05166",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"F1417",
"Sample ID":"UNCO-05167",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"F1423",
"Sample ID":"UNCO-05168",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"F1422",
"Sample ID":"UNCO-05169",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"F1421",
"Sample ID":"UNCO-05170",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"M1474",
"Sample ID":"UNCO-05171",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"M1478",
"Sample ID":"UNCO-05173",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"M1463",
"Sample ID":"UNCO-05174",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"F1419",
"Sample ID":"UNCO-05175",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"F1403",
"Sample ID":"UNCO-05176",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"F1404",
"Sample ID":"UNCO-05177",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"M1473",
"Sample ID":"UNCO-05178",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"M1466",
"Sample ID":"UNCO-05179",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"M1451",
"Sample ID":"UNCO-05180",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"M1455",
"Sample ID":"UNCO-05181",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"F1530",
"Sample ID":"UNCO-05182",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"For this study, the Oxycodone Biobank20 provided 32 plasma samples from 16 rats (8 females and 8 males; 2 samples per rat) at pre-exposure and intoxication time points. While the rats were anesthetized for the intravenous catheter surgery, 200- to 400-μl blood (pre-exposure) was collected through retroorbital bleed in EDTA-coated (Ethylene Diamine Tetra Acetic acid)tubes that were immediately inverted five times. Blood samples were processed within 1 hour of collection by centrifugation at 2000 x g at room temperature (RT) for 10 minutes to pellet the erythrocytes. The supernatant plasma was immediately transferred into a fresh tube, scored for quality on a scale from 0 to 5, snap-frozen on dry ice, and stored at –80°C. Samples were shipped on dry ice overnight to the Metabolon facility in North Carolina for metabolite characterization.","SAMPLE_TYPE":"Blood (plasma)"},

"TREATMENT":{"TREATMENT_SUMMARY":"For this study, the Oxycodone Biobank provided 32 plasma samples from 16 rats (8 females and 8 males; 2 samples per rat) at pre-exposure and intoxication time points. While the rats were anesthetized for the intravenous catheter surgery, 200- to 400-μl blood (pre-exposure) was collected through retroorbital bleed in EDTA-coated tubes that were immediately inverted five times. Oxycodone (Sigma-Aldrich) was dissolved in 0.9% sterile saline (Hospira) and administered at 150 mg/kg per infusion intravenously. This dose of oxycodone per infusion was selected based on previous studies and because it produces significant plasma oxycodone concentrations (40 ng/ml). Rats were familiarized and trained to self-administer during short access (ShA) and long access (LgA). There were 4 ShA sessions of 2 h and 14 LgA session of 12 h."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Blood samples were processed within 1 hour of collection by centrifugation at 2000 x g at room temperature (RT) for 10 minutes to pellet the erythrocytes. The supernatant plasma was immediately transferred into a fresh tube, scored for quality on a scale from 0 to 5, snap-frozen on dry ice, and stored at –80°C. Samples were shipped on dry ice overnight to the Metabolon facility in North Carolina for metabolite characterization. Samples were divided into five fractions: 2 for analysis by two separate reverse phase (RP)/UPLC-MS/MS methods with positive ion mode electrospray ionization (ESI), 1 for analysis by RP/UPLC-MS/MS with negative ion mode ESI, 1 for analysis by hydrophilic interaction chromatophaphy (HILIC)/UPLC-MS/MS with negative ion mode ESI, and 1 sample was reserved for backup."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Low pH polar (LC/MS Pos early)","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"Waters Acquity BEH C18 (100 x 2mm, 1.7um)","SOLVENT_A":"100% water; 0.1% formic acid; 0.05% PFPA, pH ~2.5","SOLVENT_B":"100% methanol; 0.1% formic acid; 0.05% PFPA, pH ~2.5","FLOW_GRADIENT":"Linear gradient from 5% B to 80% B over 3.35 minutes","FLOW_RATE":"0.35 mL/min","COLUMN_TEMPERATURE":"40-50"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"Other","ION_MODE":"POSITIVE","MS_COMMENTS":"Metabolon (LC/MS Pos early). These data are normalized across batches to generate the Batch-normalized data and correct for minor instrument technical variation from batch to batch. Essentially, each compound is corrected in instrument batch blocks by registering the medians of each batch to equal one (1.00) and normalizing each data point proportionately (termed the “block correction”). For each metabolite, the raw values in the experimental samples are divided by the median of those samples in each instrument batch, giving each batch and thus the metabolite a median of one. Batch-normalized data simply reflect median-scaled raw data."},

"MS_METABOLITE_DATA":{
"Units":"relativeMedian of peak area",

"Data":[{"Metabolite":"S-1-pyrroline-5-carboxylate","UNCO-05151":"1.360916737","UNCO-05152":"1.317277078","UNCO-05153":"0.79471027","UNCO-05154":"1.01371852","UNCO-05155":"1.155728471","UNCO-05156":"NA","UNCO-05157":"0.959376246","UNCO-05158":"0.657815463","UNCO-05159":"1.110906241","UNCO-05160":"NA","UNCO-05161":"NA","UNCO-05162":"1.357722397","UNCO-05163":"0.644359348","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"0.782106095","UNCO-05167":"NA","UNCO-05168":"1.082606764","UNCO-05169":"NA","UNCO-05170":"1.332351356","UNCO-05171":"0.767523389","UNCO-05173":"0.983116879","UNCO-05174":"NA","UNCO-05175":"0.84793295","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"1","UNCO-05180":"0.961095872","UNCO-05181":"1.62578459","UNCO-05182":"NA"},{"Metabolite":"spermidine","UNCO-05151":"0.560179749","UNCO-05152":"3.20408361","UNCO-05153":"1.37367204","UNCO-05154":"1.69397903","UNCO-05155":"0.521102281","UNCO-05156":"1.358632247","UNCO-05157":"0.163234747","UNCO-05158":"0.316996271","UNCO-05159":"1.123935627","UNCO-05160":"1.488558734","UNCO-05161":"1.242615413","UNCO-05162":"1.491260756","UNCO-05163":"1.211230657","UNCO-05164":"0.918897427","UNCO-05165":"0.724935848","UNCO-05166":"1","UNCO-05167":"0.528921056","UNCO-05168":"2.704736846","UNCO-05169":"1.674718989","UNCO-05170":"0.950882806","UNCO-05171":"1.056112392","UNCO-05173":"0.88100141","UNCO-05174":"0.448414158","UNCO-05175":"1.254603907","UNCO-05176":"0.697348091","UNCO-05177":"0.326617436","UNCO-05178":"0.694601792","UNCO-05179":"0.64936234","UNCO-05180":"0.962063871","UNCO-05181":"1.245799808","UNCO-05182":"4.218736358"},{"Metabolite":"1-methylnicotinamide","UNCO-05151":"4.409455817","UNCO-05152":"2.587981612","UNCO-05153":"4.067752124","UNCO-05154":"6.42763666","UNCO-05155":"0.983097619","UNCO-05156":"3.630859146","UNCO-05157":"1.643490575","UNCO-05158":"1","UNCO-05159":"3.527009359","UNCO-05160":"3.843444548","UNCO-05161":"4.359580981","UNCO-05162":"7.323043516","UNCO-05163":"3.930559968","UNCO-05164":"0.903199049","UNCO-05165":"0.52569913","UNCO-05166":"1.428403313","UNCO-05167":"0.993373318","UNCO-05168":"0.492941987","UNCO-05169":"0.792471265","UNCO-05170":"1.399457554","UNCO-05171":"0.831755552","UNCO-05173":"0.434965049","UNCO-05174":"0.827058917","UNCO-05175":"0.486250358","UNCO-05176":"0.845506606","UNCO-05177":"0.686164798","UNCO-05178":"10.36933216","UNCO-05179":"0.103449517","UNCO-05180":"0.540853597","UNCO-05181":"0.442372503","UNCO-05182":"1.929429754"},{"Metabolite":"3-phosphoglycerate","UNCO-05151":"0.947361587","UNCO-05152":"1.865024659","UNCO-05153":"0.705993235","UNCO-05154":"0.478581761","UNCO-05155":"1.06193009","UNCO-05156":"0.913464846","UNCO-05157":"0.968354993","UNCO-05158":"0.700101368","UNCO-05159":"NA","UNCO-05160":"0.306780259","UNCO-05161":"1","UNCO-05162":"1.246346769","UNCO-05163":"0.617843028","UNCO-05164":"1.064161323","UNCO-05165":"0.458236426","UNCO-05166":"1.333463935","UNCO-05167":"NA","UNCO-05168":"6.192756182","UNCO-05169":"0.726939942","UNCO-05170":"NA","UNCO-05171":"3.560308204","UNCO-05173":"3.213022927","UNCO-05174":"NA","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"0.898944179","UNCO-05178":"NA","UNCO-05179":"4.182967915","UNCO-05180":"1.642938986","UNCO-05181":"NA","UNCO-05182":"3.972029294"},{"Metabolite":"hypoxanthine","UNCO-05151":"1.179757683","UNCO-05152":"NA","UNCO-05153":"17.52071144","UNCO-05154":"1.097506796","UNCO-05155":"3.93740258","UNCO-05156":"3.408807163","UNCO-05157":"NA","UNCO-05158":"9.025067582","UNCO-05159":"1.49699174","UNCO-05160":"1.031490727","UNCO-05161":"1","UNCO-05162":"8.548226293","UNCO-05163":"1.074894014","UNCO-05164":"2.183447414","UNCO-05165":"5.946521487","UNCO-05166":"1.847305367","UNCO-05167":"NA","UNCO-05168":"0.745882938","UNCO-05169":"0.28566803","UNCO-05170":"0.207099344","UNCO-05171":"0.806492421","UNCO-05173":"0.526502059","UNCO-05174":"0.721914745","UNCO-05175":"0.575643256","UNCO-05176":"0.445712005","UNCO-05177":"0.321563844","UNCO-05178":"0.201030113","UNCO-05179":"0.375787833","UNCO-05180":"0.70718594","UNCO-05181":"NA","UNCO-05182":"0.832621742"},{"Metabolite":"N6,N6,N6-trimethyllysine","UNCO-05151":"0.99014115","UNCO-05152":"1.439371197","UNCO-05153":"1.046699289","UNCO-05154":"1.48569112","UNCO-05155":"1.205874106","UNCO-05156":"1.00186782","UNCO-05157":"1.340763756","UNCO-05158":"0.923123661","UNCO-05159":"1.339243309","UNCO-05160":"1.604940603","UNCO-05161":"1.136362188","UNCO-05162":"0.918272607","UNCO-05163":"1.318072089","UNCO-05164":"1","UNCO-05165":"1.219225745","UNCO-05166":"0.774726515","UNCO-05167":"0.692734674","UNCO-05168":"4.561164832","UNCO-05169":"0.80018951","UNCO-05170":"1.031399","UNCO-05171":"0.989570871","UNCO-05173":"0.942783137","UNCO-05174":"0.895363354","UNCO-05175":"0.823872203","UNCO-05176":"0.974106627","UNCO-05177":"0.730379941","UNCO-05178":"0.888170302","UNCO-05179":"0.225311361","UNCO-05180":"0.845959422","UNCO-05181":"1.32209176","UNCO-05182":"1.596723443"},{"Metabolite":"N-acetylputrescine","UNCO-05151":"0.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}

}