{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001738","ANALYSIS_ID":"AN002829","VERSION":"1","CREATED_ON":"April 12, 2021, 9:17 am"},

"PROJECT":{"PROJECT_TITLE":"AdipoAtlas: A reference lipidome for human white adipose tissue","PROJECT_SUMMARY":"Global lipidome profiling of the human white adipose tissue lipidome was performed using an optimized lipid extraction and fractionation protocol. Several chromatographic separation modes (HILIC, C18 RPC, C30 RPC) were used to enable high resolution of polar, amphiphilic and unpolar lipids. Two MS platforms (QExactive; Orbitrap Fusion Lumos) were used in various acquisition modes (DDA, Acquire X, PRM) to allow for the high lipid identification rates. Subsequently the global lipidome of visceral and subcutaneous adipose tissue of lean and obese individuals was quantified by MS (full MS on QExactive in positive and negative polarity and PRM in positive polarity).","INSTITUTE":"University of Leipzig","DEPARTMENT":"Faculty for Chemistry and Mineralogy, Biotechnological-Biomedical Center","LABORATORY":"Fedorova Lab","LAST_NAME":"Fedorova","FIRST_NAME":"Maria","ADDRESS":"Deutscher Platz 5","EMAIL":"maria.fedorova@bbz.uni-leipzig.de","PHONE":"03419731336","PUBLICATIONS":"https://www.biorxiv.org/content/10.1101/2021.01.20.427444v1"},

"STUDY":{"STUDY_TITLE":"AdipoAtlas: A Reference Lipidome for Human White Adipose Tissue","STUDY_SUMMARY":"Obesity, characterized by expansion and metabolic dysregulation of white adipose tissue (WAT), has reached pandemic proportions and acts as a primer for a wide range of metabolic disorders. Remodelling of WAT lipidome in obesity and associated comorbidities can explain disease etiology and provide valuable diagnostic and prognostic markers. To support understanding of WAT lipidome remodelling at molecular level, we performed in-depth lipidomics profiling of human subcutaneous and visceral WAT of lean and obese individuals. Tissue-tailored preanalytical and analytical workflows allowed accurate identification and semi-absolute quantification of 1636 and 737 lipid molecular species, respectively, and summarized here in a form of human WAT reference lipidome. Deep lipidomic profiling allowed to identify main lipid (sub)classes undergoing depot/phenotype specific remodelling. Furthermore, previously unanticipated diversity of WAT ceramides was uncovered. AdipoAtlas reference lipidome will serve as a data-rich resource for development of WAT-specific high-throughput methods and as a scaffold for systems medicine data integration.","INSTITUTE":"University of Leipzig","DEPARTMENT":"Faculty for Chemistry and Mineralogy, Biotechnological-Biomedical Center","LABORATORY":"Fedorova Lab","LAST_NAME":"Fedorova","FIRST_NAME":"Maria","ADDRESS":"Deutscher Platz 5","EMAIL":"maria.fedorova@bbz.uni-leipzig.de","PHONE":"03419731336","NUM_GROUPS":"4","STUDY_COMMENTS":"Pools of subcutaneous and visceral white adipose tissue were generated from lean patients (BMI < 25; n=5) and obese (BMI > 40; n=81)","PUBLICATIONS":"https://www.biorxiv.org/content/10.1101/2021.01.20.427444v1"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"SAT (ob)1",
"Factors":{"Depot location":"Subcutaneous","Phenotype":"obese"},
"Additional sample data":{"RAW_FILE_NAME":"UP_Quant_POS_SAT_ob_1;Polar_Quant_POS_SAT_ob_1;Polar_Quant_NEG_SAT_ob_1;Polar_HIL_Quant_NEG_SAT_ob_1;Unpolar_QEx_PRM_CE_SAT_ob_1"}
},
{
"Subject ID":"-",
"Sample ID":"SAT (ob)2",
"Factors":{"Depot location":"Subcutaneous","Phenotype":"obese"},
"Additional sample data":{"RAW_FILE_NAME":"UP_Quant_POS_SAT_ob_2;Polar_Quant_POS_SAT_ob_2;Polar_Quant_NEG_SAT_ob_2;Polar_HIL_Quant_NEG_SAT_ob_2;Unpolar_QEx_PRM_CE_SAT_ob_2"}
},
{
"Subject ID":"-",
"Sample ID":"SAT (ob)3",
"Factors":{"Depot location":"Subcutaneous","Phenotype":"obese"},
"Additional sample data":{"RAW_FILE_NAME":"UP_Quant_POS_SAT_ob_3;Polar_Quant_POS_SAT_ob_3;Polar_Quant_NEG_SAT_ob_3;Polar_HIL_Quant_NEG_SAT_ob_3;Unpolar_QEx_PRM_CE_SAT_ob_3"}
},
{
"Subject ID":"-",
"Sample ID":"SAT (ob)4",
"Factors":{"Depot location":"Subcutaneous","Phenotype":"obese"},
"Additional sample data":{"RAW_FILE_NAME":"UP_Quant_POS_SAT_ob_4;Polar_Quant_POS_SAT_ob_4;Polar_Quant_NEG_SAT_ob_4;Polar_HIL_Quant_NEG_SAT_ob_4;Unpolar_QEx_PRM_CE_SAT_ob_4"}
},
{
"Subject ID":"-",
"Sample ID":"SAT (ob)5",
"Factors":{"Depot location":"Subcutaneous","Phenotype":"obese"},
"Additional sample data":{"RAW_FILE_NAME":"UP_Quant_POS_SAT_ob_5;Polar_Quant_POS_SAT_ob_5;Polar_Quant_NEG_SAT_ob_5;Polar_HIL_Quant_NEG_SAT_ob_5;Unpolar_QEx_PRM_CE_SAT_ob_5"}
},
{
"Subject ID":"-",
"Sample ID":"SAT (ob)6",
"Factors":{"Depot location":"Subcutaneous","Phenotype":"obese"},
"Additional sample data":{"RAW_FILE_NAME":"UP_Quant_POS_SAT_ob_6;Polar_Quant_POS_SAT_ob_6;Polar_Quant_NEG_SAT_ob_6;Polar_HIL_Quant_NEG_SAT_ob_6;Unpolar_QEx_PRM_CE_SAT_ob_6"}
},
{
"Subject ID":"-",
"Sample ID":"SAT (lean)1",
"Factors":{"Depot location":"Subcutaneous","Phenotype":"lean"},
"Additional sample data":{"RAW_FILE_NAME":"UP_Quant_POS_SAT_lean_1;Polar_Quant_POS_SAT_lean_1;Polar_Quant_NEG_SAT_lean_1;Polar_HIL_Quant_NEG_SAT_lean_1;Unpolar_QEx_PRM_CE_SAT_lean_1"}
},
{
"Subject ID":"-",
"Sample ID":"SAT (lean)2",
"Factors":{"Depot location":"Subcutaneous","Phenotype":"lean"},
"Additional sample data":{"RAW_FILE_NAME":"UP_Quant_POS_SAT_lean_2;Polar_Quant_POS_SAT_lean_2;Polar_Quant_NEG_SAT_lean_2;Polar_HIL_Quant_NEG_SAT_lean_2;Unpolar_QEx_PRM_CE_SAT_lean_2"}
},
{
"Subject ID":"-",
"Sample ID":"SAT (lean)3",
"Factors":{"Depot location":"Subcutaneous","Phenotype":"lean"},
"Additional sample data":{"RAW_FILE_NAME":"UP_Quant_POS_SAT_lean_3;Polar_Quant_POS_SAT_lean_3;Polar_Quant_NEG_SAT_lean_3;Polar_HIL_Quant_NEG_SAT_lean_3;Unpolar_QEx_PRM_CE_SAT_lean_3"}
},
{
"Subject ID":"-",
"Sample ID":"VAT (ob)1",
"Factors":{"Depot location":"Visceral","Phenotype":"obese"},
"Additional sample data":{"RAW_FILE_NAME":"UP_Quant_POS_VAT_ob_1;Polar_Quant_POS_VAT_ob_1;Polar_Quant_NEG_VAT_ob_1;Polar_HIL_Quant_NEG_VAT_ob_1;Unpolar_QEx_PRM_CE_VAT_ob_1"}
},
{
"Subject ID":"-",
"Sample ID":"VAT (ob)2",
"Factors":{"Depot location":"Visceral","Phenotype":"obese"},
"Additional sample data":{"RAW_FILE_NAME":"UP_Quant_POS_VAT_ob_2;Polar_Quant_POS_VAT_ob_2;Polar_Quant_NEG_VAT_ob_2;Polar_HIL_Quant_NEG_VAT_ob_2;Unpolar_QEx_PRM_CE_VAT_ob_2"}
},
{
"Subject ID":"-",
"Sample ID":"VAT (ob)3",
"Factors":{"Depot location":"Visceral","Phenotype":"obese"},
"Additional sample data":{"RAW_FILE_NAME":"UP_Quant_POS_VAT_ob_3;Polar_Quant_POS_VAT_ob_3;Polar_Quant_NEG_VAT_ob_3;Polar_HIL_Quant_NEG_VAT_ob_3;Unpolar_QEx_PRM_CE_VAT_ob_3"}
},
{
"Subject ID":"-",
"Sample ID":"VAT (ob)4",
"Factors":{"Depot location":"Visceral","Phenotype":"obese"},
"Additional sample data":{"RAW_FILE_NAME":"UP_Quant_POS_VAT_ob_4;Polar_Quant_POS_VAT_ob_4;Polar_Quant_NEG_VAT_ob_4;Polar_HIL_Quant_NEG_VAT_ob_4;Unpolar_QEx_PRM_CE_VAT_ob_4"}
},
{
"Subject ID":"-",
"Sample ID":"VAT (ob)5",
"Factors":{"Depot location":"Visceral","Phenotype":"obese"},
"Additional sample data":{"RAW_FILE_NAME":"UP_Quant_POS_VAT_ob_5;Polar_Quant_POS_VAT_ob_5;Polar_Quant_NEG_VAT_ob_5;Polar_HIL_Quant_NEG_VAT_ob_5;Unpolar_QEx_PRM_CE_VAT_ob_5"}
},
{
"Subject ID":"-",
"Sample ID":"VAT (ob)6",
"Factors":{"Depot location":"Visceral","Phenotype":"obese"},
"Additional sample data":{"RAW_FILE_NAME":"UP_Quant_POS_VAT_ob_6;Polar_Quant_POS_VAT_ob_6;Polar_Quant_NEG_VAT_ob_6;Polar_HIL_Quant_NEG_VAT_ob_6;Unpolar_QEx_PRM_CE_VAT_ob_6"}
},
{
"Subject ID":"-",
"Sample ID":"VAT (lean)1",
"Factors":{"Depot location":"Visceral","Phenotype":"lean"},
"Additional sample data":{"RAW_FILE_NAME":"UP_Quant_POS_VAT_lean_1;Polar_Quant_POS_VAT_lean_1;Polar_Quant_NEG_VAT_lean_1;Polar_HIL_Quant_NEG_VAT_lean_1;Unpolar_QEx_PRM_CE_VAT_lean_1"}
},
{
"Subject ID":"-",
"Sample ID":"VAT (lean)2",
"Factors":{"Depot location":"Visceral","Phenotype":"lean"},
"Additional sample data":{"RAW_FILE_NAME":"UP_Quant_POS_VAT_lean_2;Polar_Quant_POS_VAT_lean_2;Polar_Quant_NEG_VAT_lean_2;Polar_HIL_Quant_NEG_VAT_lean_2;Unpolar_QEx_PRM_CE_VAT_lean_2"}
},
{
"Subject ID":"-",
"Sample ID":"VAT (lean)3",
"Factors":{"Depot location":"Visceral","Phenotype":"lean"},
"Additional sample data":{"RAW_FILE_NAME":"UP_Quant_POS_VAT_lean_3;Polar_Quant_POS_VAT_lean_3;Polar_Quant_NEG_VAT_lean_3;Polar_HIL_Quant_NEG_VAT_lean_3;Unpolar_QEx_PRM_CE_VAT_lean_3"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Samples of human white adipose tissue from a total of 86 donors were kindly provided by Matthias Blüher as a part of Leipzig Obesity BioBank. Tissue collection was approved by the Ethics committee of the University of Leipzig (approval number: 159-12-21052012) and all subjects gave written informed consent before taking part in the study. Removed tissue samples were flash frozen in liquid nitrogen and stored at -80°C until further analysis. For the purpose of this study, we included adipose tissue samples from abdominal visceral (VAT) and subcutaneous (SAT) fat depots of lean (BMI < 25kg/m²; n = 5) and obese (BMI > 40kg/m²; n = 81) individuals. Representative tissue pools were generated according to depot and phenotype specificity.","SAMPLE_TYPE":"Adipose tissue","COLLECTION_LOCATION":"Leipzig, Germany","STORAGE_CONDITIONS":"-80?","STORAGE_VIALS":"Plastic tubes","ADDITIVES":"none"},

"TREATMENT":{"TREATMENT_SUMMARY":"Adipose tissue biopsy pools were not treated prior to sample preparation."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Adipose tissue was spiked with internal standards, homogenized by high-speed homogenization and lipids were extracted using the Folch method. Triacylglycerols were depleted by EtOH/Hexane based liquid/liquid extraction.","SAMPLEPREP_PROTOCOL_FILENAME":"Sample Preparation Workflow","PROCESSING_STORAGE_CONDITIONS":"4?","EXTRACTION_METHOD":"Folch lipid extraction","EXTRACT_ENRICHMENT":"EtOH/Hexane liquid/liquid extraction","EXTRACT_STORAGE":"-80?","SAMPLE_DERIVATIZATION":"none","SAMPLE_SPIKING":"adipose tissue specific internal standard mix"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Three chromatography types were employed to allow for optimal lipidome separation (i.e. C18 RPC for amphiphilic lipids, C30 RPC for triacylglycerols, HILIC for acylcarnitines). All details on the respective methods are provided in the attached methods document","CHROMATOGRAPHY_TYPE":"C30 Reversed Phase","INSTRUMENT_NAME":"Vanquish Horizon","COLUMN_NAME":"Accucore C30 column (150 x 2.1 mm; 2.6 µm, 150 Å, Thermo Fisher Scientific)","FLOW_GRADIENT":"0-5 min – 50 to 80 % B (curve 5), 5-22 min – 80 to 95 % B (curve 4), 22-26 min – 95 % isocratic, 26-27 min – 95 to 100 % B (curve 5), 27-47 min – 100 % B isocratic, 47-47.1 min – 100 to 50 % B followed by 8 min re-equilibration at 50% B","FLOW_RATE":"0.3 ml/min","COLUMN_TEMPERATURE":"50","SOLVENT_A":"MeCN/H2O (1:1, v/v) + 5 mM ammonium formate + 0.1% (v/v) formic acid","SOLVENT_B":"i-PrOH/MeCN/H2O (85:10:5, v/v) + 5 mM ammonium formate + 0.1% (v/v) formic acid"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Plus Orbitrap; Thermo Fusion Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"DDA and AcquireX methods for CE quantification on polar/nonpolar extracts in positive and negative ion modes"},

"MS_METABOLITE_DATA":{
"Units":"fmol/?g protein",

"Data":[{"Metabolite":"CE 18:1","SAT (ob)1":"16670.45822","SAT (ob)2":"8836.803163","SAT (ob)3":"13803.08019","SAT (ob)4":"12251.95759","SAT (ob)5":"7433.242127","SAT (ob)6":"3690.110144","SAT (lean)1":"25256.06894","SAT (lean)2":"16396.38335","SAT (lean)3":"21686.1469","VAT (ob)1":"14373.09661","VAT (ob)2":"12168.74493","VAT (ob)3":"24820.05545","VAT (ob)4":"15999.62489","VAT (ob)5":"10070.31623","VAT (ob)6":"5827.542442","VAT (lean)1":"17848.02254","VAT (lean)2":"31119.53828","VAT (lean)3":"11917.70247"},{"Metabolite":"CE 18:2","SAT (ob)1":"80096.80138","SAT (ob)2":"51456.48498","SAT (ob)3":"43058.99837","SAT (ob)4":"53242.13652","SAT (ob)5":"40061.35077","SAT (ob)6":"19250.53209","SAT (lean)1":"110228.7098","SAT (lean)2":"143147.4663","SAT (lean)3":"154410.7703","VAT (ob)1":"62458.62212","VAT (ob)2":"41886.70071","VAT (ob)3":"101465.7666","VAT (ob)4":"45844.37792","VAT (ob)5":"82190.49583","VAT (ob)6":"46828.69049","VAT (lean)1":"237618.465","VAT (lean)2":"188267.3994","VAT (lean)3":"153162.441"},{"Metabolite":"CE 20:3","SAT (ob)1":"26513.24535","SAT (ob)2":"18122.83192","SAT (ob)3":"15935.43966","SAT (ob)4":"10233.16751","SAT (ob)5":"12681.8091","SAT (ob)6":"5665.713931","SAT (lean)1":"24579.8158","SAT (lean)2":"28043.75848","SAT (lean)3":"34851.24872","VAT (ob)1":"19097.54599","VAT (ob)2":"11592.12506","VAT (ob)3":"35844.6159","VAT (ob)4":"17030.07893","VAT (ob)5":"16320.32788","VAT (ob)6":"12267.08561","VAT (lean)1":"41237.3084","VAT (lean)2":"46805.52663","VAT (lean)3":"26835.06236"},{"Metabolite":"CE 20:4","SAT (ob)1":"183773.0636","SAT (ob)2":"122262.8189","SAT (ob)3":"112694.8872","SAT (ob)4":"98936.3725","SAT (ob)5":"72535.18808","SAT (ob)6":"49199.40145","SAT (lean)1":"205397.8248","SAT (lean)2":"294261.9602","SAT (lean)3":"279968.5827","VAT (ob)1":"157609.225","VAT (ob)2":"112331.4045","VAT (ob)3":"247644.4174","VAT (ob)4":"77242.09113","VAT (ob)5":"149975.3808","VAT (ob)6":"126264.5475","VAT (lean)1":"579900.1732","VAT (lean)2":"348008.8912","VAT (lean)3":"239298.0887"},{"Metabolite":"CE 22:4","SAT (ob)1":"28840.10719","SAT (ob)2":"21754.55834","SAT (ob)3":"20556.30855","SAT (ob)4":"13380.49854","SAT (ob)5":"7528.663867","SAT (ob)6":"5356.37321","SAT (lean)1":"25737.88551","SAT (lean)2":"20105.26426","SAT (lean)3":"17822.95998","VAT (ob)1":"23120.8151","VAT (ob)2":"14724.80619","VAT (ob)3":"36063.50661","VAT (ob)4":"9091.680225","VAT (ob)5":"9941.672474","VAT (ob)6":"11402.25994","VAT (lean)1":"34318.84889","VAT (lean)2":"41232.09672","VAT (lean)3":"16930.17349"},{"Metabolite":"CE 22:5","SAT (ob)1":"13499.92096","SAT (ob)2":"7095.855086","SAT (ob)3":"8624.613","SAT (ob)4":"8126.690588","SAT (ob)5":"3787.723255","SAT (ob)6":"2980.413949","SAT (lean)1":"11368.88533","SAT (lean)2":"10776.66417","SAT (lean)3":"15489.06723","VAT (ob)1":"10725.6953","VAT (ob)2":"5432.103504","VAT (ob)3":"11361.47058","VAT (ob)4":"7276.304763","VAT (ob)5":"10087.74538","VAT (ob)6":"6958.486908","VAT (lean)1":"21912.55857","VAT (lean)2":"19937.13923","VAT (lean)3":"15351.75844"},{"Metabolite":"CE 22:6","SAT (ob)1":"3943.465397","SAT (ob)2":"2460.928889","SAT (ob)3":"5485.348034","SAT (ob)4":"4182.491204","SAT (ob)5":"3799.790206","SAT (ob)6":"2759.352065","SAT (lean)1":"17396.4189","SAT (lean)2":"27881.47543","SAT (lean)3":"19503.10125","VAT (ob)1":"7483.286038","VAT (ob)2":"3239.915214","VAT (ob)3":"13701.34847","VAT (ob)4":"4821.957265","VAT (ob)5":"7541.843951","VAT (ob)6":"6765.84687","VAT (lean)1":"46092.85478","VAT (lean)2":"35159.65211","VAT (lean)3":"27139.04102"},{"Metabolite":"TG 8:0_8:0_8:0","SAT (ob)1":"3475.037901","SAT (ob)2":"2148.86278","SAT (ob)3":"2234.435643","SAT (ob)4":"2736.714458","SAT (ob)5":"1492.409311","SAT (ob)6":"3080.717838","SAT (lean)1":"2452.834375","SAT (lean)2":"2799.744021","SAT (lean)3":"2857.904324","VAT (ob)1":"3948.001736","VAT (ob)2":"1119.660105","VAT (ob)3":"3578.479961","VAT (ob)4":"880.4473108","VAT (ob)5":"2455.790553","VAT (ob)6":"3207.201767","VAT (lean)1":"4919.001982","VAT (lean)2":"5281.032032","VAT (lean)3":"2045.595088"},{"Metabolite":"TG 8:0_8:0_10:0","SAT (ob)1":"4151.094115","SAT (ob)2":"3200.518445","SAT (ob)3":"3436.178345","SAT (ob)4":"2836.763106","SAT (ob)5":"1103.535538","SAT (ob)6":"2164.578967","SAT (lean)1":"2980.782016","SAT (lean)2":"4021.661308","SAT (lean)3":"3938.351126","VAT (ob)1":"6357.775747","VAT (ob)2":"1739.525453","VAT (ob)3":"4883.515209","VAT (ob)4":"1461.887647","VAT (ob)5":"2993.333769","VAT (ob)6":"4457.419762","VAT (lean)1":"7466.380868","VAT (lean)2":"8638.857375","VAT (lean)3":"2106.128896"},{"Metabolite":"TG 8:0_10:0_10:0","SAT (ob)1":"3545.769544","SAT (ob)2":"2583.071952","SAT (ob)3":"3685.089073","SAT (ob)4":"1980.01851","SAT (ob)5":"938.0434396","SAT (ob)6":"1628.108854","SAT (lean)1":"2200.724405","SAT (lean)2":"2896.453003","SAT (lean)3":"2825.595034","VAT (ob)1":"5221.010565","VAT (ob)2":"1053.322397","VAT (ob)3":"4096.112148","VAT (ob)4":"1352.229101","VAT 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}

}