{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002243","ANALYSIS_ID":"AN003662","VERSION":"1","CREATED_ON":"August 8, 2022, 7:35 am"},

"PROJECT":{"PROJECT_TITLE":"Multi-omics study of Friedreich's ataxia (FRDA)","PROJECT_TYPE":"Untargeted and targeted (PRM) analysis","PROJECT_SUMMARY":"Multi-omics study of plasma samples from FRDA patients and healthy controls","INSTITUTE":"University of Pennsylvania","LAST_NAME":"Wang","FIRST_NAME":"Dezhen","ADDRESS":"421 Curie Blvd, Philadelphia, PA, 19104, USA","EMAIL":"dezhen.wang@pennmedicine.upenn.edu","PHONE":"5312185610"},

"STUDY":{"STUDY_TITLE":"Lipidomics analysis of Friedreich's ataxia (FRDA) (part II)","STUDY_TYPE":"Untargeted and targeted (PRM) analysis","STUDY_SUMMARY":"Friedreich’s Ataxia (FRDA) is an autosomal neurodegenerative disease caused by the deficiency of protein frataxin. Frataxin functions in the assembly of iron-sulfur clusters that are important for iron homeostasis and metabolic functions. To identify metabolic features that can be used for potential biomarkers in FRDA plasma, we performed a targeted multi-omics (metabolomics, lipidomics, and proteomics) analysis using discovery-validation cohort design. Muti-omics analysis revealed that FRDA patients had dysregulated sphingolipid metabolism, phospholipid metabolism, citric acid cycle, amino acid metabolism, and apolipoprotein metabolism. Sphingolipid dysfunctions were revealed by decreased very long chain ceramides but unchanged long chain ceramides in FRDA plasma, which resulted in the increased ratio of long chain ceramides to very long chain ceramides. Decreased very long chain ceramides distinguished FRDA patients from healthy controls and showed good predictive capacities with AUC values from 0.75 to 0.85. Furthermore, by performing lipidomic and stable isotope tracing experiment in induced pluripotent stem cell differentiated cardiomyocytes (iPSC-CMs, we demonstrated that frataxin deficiency affected ceramide synthase (CerS2), and preferentially enriched long chain ceramides and depleted very long chain ceramides. Moreover, ceramide metabolism was differentially regulated in a tissue-specific manner. Finally, machine learning model increased the prediction of FRDA using the combination of three metabolites (AUC > 0.9). In conclusion, decreased very long chain ceramides are potential biomarkers and therapeutic target in FRDA patients.","INSTITUTE":"University of Pennsylvania","LAST_NAME":"Wang","FIRST_NAME":"Dezhen","ADDRESS":"421 Curie Blvd, Philadelphia, PA, 19104, USA","EMAIL":"dezhen.wang@pennmedicine.upenn.edu","PHONE":"5312185610"},

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"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Negative_Patient_Negative_P-34.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Negative_P-35",
"Factors":{"Group":"Patient"},
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},
{
"Subject ID":"-",
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"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Negative_Patient_Negative_P-36.raw"}
},
{
"Subject ID":"-",
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"Additional sample data":{"RAW_FILE_NAME":"Negative_Patient_Negative_P-37.raw"}
},
{
"Subject ID":"-",
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"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Negative_Patient_Negative_P-38.raw"}
},
{
"Subject ID":"-",
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"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Negative_Patient_Negative_P-39.raw"}
},
{
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"Factors":{"Group":"Patient"},
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{
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},
{
"Subject ID":"-",
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{
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{
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{
"Subject ID":"-",
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{
"Subject ID":"-",
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"Factors":{"Group":"Patient"},
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},
{
"Subject ID":"-",
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},
{
"Subject ID":"-",
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{
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{
"Subject ID":"-",
"Sample ID":"Patient_Negative_P-50",
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},
{
"Subject ID":"-",
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{
"Subject ID":"-",
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{
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{
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{
"Subject ID":"-",
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},
{
"Subject ID":"-",
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{
"Subject ID":"-",
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},
{
"Subject ID":"-",
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"Factors":{"Group":"Patient"},
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},
{
"Subject ID":"-",
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"Factors":{"Group":"Patient"},
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},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_1",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_10",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_10.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_12",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_12.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_13",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_13.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_2",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_20",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_20.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_22",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_22.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_23",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_23.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_24",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_24.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_25",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_25.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_26",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_26.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_27",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_27.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_28",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_28.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_29",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_29.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_3",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_30",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_30.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_31",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_31.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_32",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_32.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_33",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_33.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_34",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_34.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_37",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_37.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_39",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_39.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_4",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_4.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_5",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_5.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_6",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_6.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_OP_7",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_OP_7.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-27",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-27.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-28",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-28.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-29",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-29.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-30",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-30.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-31",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-31.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-32",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-32.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-33",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-33.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-34",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-34.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-35",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-35.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-36",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-36.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-37",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-37.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-38",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-38.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-39",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-39.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-40",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-40.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-41",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-41.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-42",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-42.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-43",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-43.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-44",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-44.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-45",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-45.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-46",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-46.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-47",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-47.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-48",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-48.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-49",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-49.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-50",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-50.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-51",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-51.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-52",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-52.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-53",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-53.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-54",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-54.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-55",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-55.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-56",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-56.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-57",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-57.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-58",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-58.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Patient_Positive_P-59",
"Factors":{"Group":"Patient"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_Patient_Positive_P-59.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Positive_QC_1",
"Factors":{"Group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_QC_1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Positive_QC_10",
"Factors":{"Group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_QC_10.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Positive_QC_11",
"Factors":{"Group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_QC_11.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Positive_QC_12",
"Factors":{"Group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_QC_12.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Positive_QC_13",
"Factors":{"Group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_QC_13.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Positive_QC_14",
"Factors":{"Group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_QC_14.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Positive_QC_15",
"Factors":{"Group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_QC_15.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Positive_QC_16",
"Factors":{"Group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_QC_16.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Positive_QC_2",
"Factors":{"Group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_QC_2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Positive_QC_3",
"Factors":{"Group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_QC_3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Positive_QC_4",
"Factors":{"Group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_QC_4.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Positive_QC_5",
"Factors":{"Group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_QC_5.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Positive_QC_6",
"Factors":{"Group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_QC_6.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Positive_QC_7",
"Factors":{"Group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_QC_7.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Positive_QC_8",
"Factors":{"Group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_QC_8.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Positive_QC_9",
"Factors":{"Group":"-"},
"Additional sample data":{"RAW_FILE_NAME":"Positive_QC_9.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Venous blood was drawn in 8.5 mL purple cap Vacutainer EDTA tubes and gently invert to mix. Plasma was collected after centrifugation at 1000 g for 15 min. All samples were immediately aliquoted to Eppendorf tubes and frozen at -80 ºC until analysis.","SAMPLE_TYPE":"Blood (plasma)","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"NA"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"50 μL plasma, was mixed with 20 μL internal standard working solution (SPLASH® LIPIDOMIX® Mass Spec Standard + Cer/sph mixture I), extracted with 1000 μL butanol/methanol (1/1, v/v, 10 mM ammonium formate) for 10 min on a vortex mixture. Samples were pelleted by centrifugation at 4000 x g for 5 min at room temperature. The supernatant was moved to a clean glass tube, dried under nitrogen, and resuspended in 100 μL MTBE/methanol (1/3, v/v) with 10 mM ammonium formate. 5 μL of each sample was combined to make a pooled quality control (QC) sample and ran every ten samples in the long sequence to monitor retention time and signal intensity drift. The remaining samples (50 μL) were transferred into injection vials for lipidomic analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000","COLUMN_NAME":"AccucoreTM C18 HPLC column (2.1 mm x 100 mm, 2.6 µm)","FLOW_GRADIENT":"0 min, 90% A; 1 min, 90% A; 4 min, 60% A; 12 min, 25% A; 21 min, 1% A; 24 min, 1% A; 24.1 min, 90% A; 28 min, 90%.","FLOW_RATE":"0.4 ml/min","COLUMN_TEMPERATURE":"35","SOLVENT_A":"50% acetonitrile/50% water with 10 mM ammonium formate and 0.1% formic acid","SOLVENT_B":"10% acetonitrile/88% isopropanol/2% water with 2 mM ammonium formate and 0.02% formic acid","INJECTION_TEMPERATURE":"4","ANALYTICAL_TIME":"28min"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","OPERATOR_NAME":"Dezhen Wang"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive HF hybrid Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Samples were analyzed using a Q Exactive HF (QE-HF) (Thermo Scientific, Waltham, MA) equipped with a heated electro-spray ionization (HESI) source operated in both positive and negative ion mode. For DDA library generation (untargeted lipidomics), data acquisition was performed on the pooled QC samples in Full Scan/ddMS2 mode @ 120,000 resolutions. The Full Scan settings as follows: AGC target = 1e6; Maximum IT = 250 ms; scan range = 250 to 1800 m/z. Top 20 MS/MS spectral (dd-MS2) @ 15000 were generated with AGC target = 1e5, Maximum IT=25 ms, and (N)CE/stepped nce = 20, 30, 40v. For untargeted lipid analysis, LipidSearch 4.2 (Thermo Scientific, Waltham, MA) was used for peak detection, identification, alignment, and quantification. Well annotated lipids (MS spectral match) were used to generate a inclusion list (Supplementary Table 4) for targeted lipidomics analysis. Targeted lipidomics were performed in Full scan + PRM modes. The PRM settings were as follows: resolution = 15000, AGC target = 2e5, Maximum IT=25 ms, loop count = 36, isolation window = 2.0, (N)CE was optimized for each lipid class."},

"MS_METABOLITE_DATA":{
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