{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003238","ANALYSIS_ID":"AN005304","PROJECT_ID":"PR002013","VERSION":"1","CREATED_ON":"June 4, 2024, 1:46 pm"},

"PROJECT":{"PROJECT_TITLE":"Lipidomic analysis of serum and tissues following the genetic deletion of glutamate-cysteine ligase catalytic subunit (Gclc).","PROJECT_SUMMARY":"Lipidomic studies on serum and tissue samples from wildtype and whole-body deletion of Gclc, the rate-limiting enzyme in glutathione (GSH) synthesis.","INSTITUTE":"University of Rochester Medical Center","LAST_NAME":"Harris","FIRST_NAME":"Isaac","ADDRESS":"601 Elmwood Ave, Rochester, New York, 14642-0001, USA","EMAIL":"isaac_harris@urmc.rochester.edu","PHONE":"8572348624"},

"STUDY":{"STUDY_TITLE":"Lipidomic analysis of serum from Gclc WT and whole-body Gclc KO mice.","STUDY_SUMMARY":"We found decreased triglycerides in the serum of whole-body deletion of Gclc mice compared to wildtype mice.","INSTITUTE":"University of Rochester Medical Center","LAST_NAME":"Harris","FIRST_NAME":"Isaac","ADDRESS":"601 Elmwood Ave, Rochester, New York, 14642-0001, USA","EMAIL":"isaac_harris@urmc.rochester.edu","PHONE":"8572348624"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","GENDER":"Male and female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Serum_CreERT2_210",
"Factors":{"Sample source":"serum","Genotype":"Gclc KO"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pos_Serum_CreERT2_210.raw","RAW_FILE_NAME(Raw file name)":"Neg_Serum_CreERT2_210.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_CreERT2_216",
"Factors":{"Sample source":"serum","Genotype":"Gclc KO"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pos_Serum_CreERT2_216.raw","RAW_FILE_NAME(Raw file name)":"Neg_Serum_CreERT2_216.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_CreERT2_223",
"Factors":{"Sample source":"serum","Genotype":"Gclc KO"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pos_Serum_CreERT2_223.raw","RAW_FILE_NAME(Raw file name)":"Neg_Serum_CreERT2_223.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_CreERT2_232",
"Factors":{"Sample source":"serum","Genotype":"Gclc KO"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pos_Serum_CreERT2_232.raw","RAW_FILE_NAME(Raw file name)":"Neg_Serum_CreERT2_232.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_FF_218",
"Factors":{"Sample source":"serum","Genotype":"Gclc WT"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pos_Serum_FF_218.raw","RAW_FILE_NAME(Raw file name)":"Neg_Serum_FF_218.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_FF_219",
"Factors":{"Sample source":"serum","Genotype":"Gclc WT"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pos_Serum_FF_219.raw","RAW_FILE_NAME(Raw file name)":"Neg_Serum_FF_219.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_FF_225",
"Factors":{"Sample source":"serum","Genotype":"Gclc WT"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pos_Serum_FF_225.raw","RAW_FILE_NAME(Raw file name)":"Neg_Serum_FF_225.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_FF_226",
"Factors":{"Sample source":"serum","Genotype":"Gclc WT"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pos_Serum_FF_226.raw","RAW_FILE_NAME(Raw file name)":"Neg_Serum_FF_226.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Mice were anesthetized with isoflurane, after which blood was collected via the retro-orbital venous sinus into BD microtainer tubes (BD #365967). Serum was isolated from the blood by centrifuging blood samples at 10000 xg for 5mins. Samples were stored at -80C.","SAMPLE_TYPE":"Blood (serum)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Gclc WT (Gclc f/f) and whole-body Gclc KO (Gclc f/f Rosa26-CreERT2) were treated with 160 mg/kg i.p. injection of tamoxifen daily for five consecutive days. After approximately 14 days, mice were euthanized and serum was isolated and stored."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"For serum samples, 75 µL of chloroform:methanol extraction solvent (v:v=1:2) was added to 20 µL of mouse serum. After sonicating (1400 rpm, 20°C, 5 min), the extracts were cleared by centrifugation (17,000g, 20°C, 10 min), and the lipids in the supernatant were analyzed by LC-MS."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Brownlee SPP C18 column (2.1 mm × 75 mm, 2.7 μm particle size); Solvent A is 100% H2O containing 0.1% formic acid and 1% of 1 M NH4OAc; Solvent B is 1:1 acetonitrile:isopropanol containing 0.1% formic acid and 1% of 1 M NH4OAc","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Brownlee SPP C18 (75 x 2.1 mm, 2.7 um)","SOLVENT_A":"100% water; 0.1% formic acid; 10mM ammonium acetate","SOLVENT_B":"50% acetonitrile/50% isopropanol; 0.1% formic acid; 10mM ammonium acetate","FLOW_GRADIENT":"0–2 min 35% B, 2–8 min from 35 to 80% B, 8–22 min from 80 to 99% B, 22–36 min 99% B, and 36.1–40 min from 99 to 35% B.","FLOW_RATE":"0.400 mL/min","COLUMN_TEMPERATURE":"50"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"DeNicola Lab (Moffitt Cancer Center)"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive HF hybrid Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"The scan range was from m/z 250–1500, resolution was 60,000 for MS, and 30,000 for DDMS2 (top 10), and the AGC target was 3E6 for full MS and 1E5 for DDMS2, allowing ions to accumulate for up to 200 ms for MS and 50 ms for MS/MS. For MS/MS, the following settings are used: isolation window width 1.2 m/z with an offset of 0.5 m/z, stepped NCE at 10, 15, and 25 a.u., minimum AGC 5E2, and dynamic exclusion of previously sampled peaks for 8 s."},

"MS_METABOLITE_DATA":{
"Units":"Normalized to the median value of total lipid signals",

"Data":[{"Metabolite":"DMPE 32:0|DMPE 16:0_16:0","Serum_CreERT2_210":"0.264074451","Serum_CreERT2_216":"0.370599652","Serum_CreERT2_223":"0.312430462","Serum_CreERT2_232":"0.351580296","Serum_FF_218":"0.187510871","Serum_FF_219":"0.227069141","Serum_FF_225":"0.360295774","Serum_FF_226":"0.315569344"},{"Metabolite":"DMPE 34:1|DMPE 16:0_18:1","Serum_CreERT2_210":"1.844007164","Serum_CreERT2_216":"1.441766567","Serum_CreERT2_223":"1.302188123","Serum_CreERT2_232":"1.964404377","Serum_FF_218":"0.82999206","Serum_FF_219":"1.330301588","Serum_FF_225":"1.681061735","Serum_FF_226":"1.812040817"},{"Metabolite":"DMPE 34:2|DMPE 16:0_18:2","Serum_CreERT2_210":"6.803556733","Serum_CreERT2_216":"4.692167521","Serum_CreERT2_223":"6.042780237","Serum_CreERT2_232":"8.358831094","Serum_FF_218":"5.844504103","Serum_FF_219":"6.010097624","Serum_FF_225":"6.978500055","Serum_FF_226":"6.049037031"},{"Metabolite":"DMPE 36:2|DMPE 18:0_18:2","Serum_CreERT2_210":"3.090222311","Serum_CreERT2_216":"3.514986614","Serum_CreERT2_223":"3.279979486","Serum_CreERT2_232":"5.132862529","Serum_FF_218":"2.285556018","Serum_FF_219":"2.286511693","Serum_FF_225":"4.594440609","Serum_FF_226":"3.727193984"},{"Metabolite":"DMPE 36:4|DMPE 16:0_20:4","Serum_CreERT2_210":"1.58534224","Serum_CreERT2_216":"1.110213863","Serum_CreERT2_223":"1.372910968","Serum_CreERT2_232":"2.22110105","Serum_FF_218":"1.328078799","Serum_FF_219":"1.354948908","Serum_FF_225":"1.591530104","Serum_FF_226":"1.368643907"},{"Metabolite":"DMPE 36:4|DMPE 18:2_18:2","Serum_CreERT2_210":"0.635126222","Serum_CreERT2_216":"0.338570172","Serum_CreERT2_223":"0.779255134","Serum_CreERT2_232":"0.934334634","Serum_FF_218":"0.569928536","Serum_FF_219":"0.676554203","Serum_FF_225":"0.894436975","Serum_FF_226":"0.689741563"},{"Metabolite":"FA 14:1;2O","Serum_CreERT2_210":"0.729674944","Serum_CreERT2_216":"0.977746298","Serum_CreERT2_223":"1.067683464","Serum_CreERT2_232":"0.57427898","Serum_FF_218":"1.795118539","Serum_FF_219":"1.656238266","Serum_FF_225":"1.356037208","Serum_FF_226":"1.535421577"},{"Metabolite":"FA 14:1;2O_2","Serum_CreERT2_210":"0.678741287","Serum_CreERT2_216":"1.090241071","Serum_CreERT2_223":"0.941437578","Serum_CreERT2_232":"0.370681672","Serum_FF_218":"1.448757893","Serum_FF_219":"1.501749987","Serum_FF_225":"1.00459649","Serum_FF_226":"1.270524983"},{"Metabolite":"FA 14:1;2O_3","Serum_CreERT2_210":"0.711867073","Serum_CreERT2_216":"0.989331827","Serum_CreERT2_223":"1.322220806","Serum_CreERT2_232":"0.788835878","Serum_FF_218":"1.41301849","Serum_FF_219":"1.498836695","Serum_FF_225":"1.387816576","Serum_FF_226":"1.339528817"},{"Metabolite":"FA 14:1;2O_4","Serum_CreERT2_210":"1.633253461","Serum_CreERT2_216":"3.285996892","Serum_CreERT2_223":"2.505867252","Serum_CreERT2_232":"1.77933786","Serum_FF_218":"1.345717851","Serum_FF_219":"1.77468755","Serum_FF_225":"1.313662294","Serum_FF_226":"1.504915781"},{"Metabolite":"FA 14:1;2O_5","Serum_CreERT2_210":"1.287921144","Serum_CreERT2_216":"2.738203853","Serum_CreERT2_223":"1.830585624","Serum_CreERT2_232":"0.873484114","Serum_FF_218":"0.828320793","Serum_FF_219":"0.853302848","Serum_FF_225":"0.960077759","Serum_FF_226":"1.000917935"},{"Metabolite":"FA 14:1;2O_6","Serum_CreERT2_210":"1.027341103","Serum_CreERT2_216":"1.718187378","Serum_CreERT2_223":"2.058420449","Serum_CreERT2_232":"1.116346335","Serum_FF_218":"1.208526487","Serum_FF_219":"1.018250818","Serum_FF_225":"1.084684423","Serum_FF_226":"1.000917935"},{"Metabolite":"FA 14:1;2O_7","Serum_CreERT2_210":"2.627695687","Serum_CreERT2_216":"1.882584575","Serum_CreERT2_223":"7.512371935","Serum_CreERT2_232":"6.672384204","Serum_FF_218":"4.124770295","Serum_FF_219":"4.879824197","Serum_FF_225":"6.443101631","Serum_FF_226":"5.160214093"},{"Metabolite":"FA 15:1;2O","Serum_CreERT2_210":"0.325225094","Serum_CreERT2_216":"0.503304357","Serum_CreERT2_223":"0.380505076","Serum_CreERT2_232":"0.253760364","Serum_FF_218":"0.813706659","Serum_FF_219":"0.813344821","Serum_FF_225":"0.836553904","Serum_FF_226":"1.19103737"},{"Metabolite":"FA 15:1;2O_2","Serum_CreERT2_210":"0.348451568","Serum_CreERT2_216":"0.468179577","Serum_CreERT2_223":"0.38434704","Serum_CreERT2_232":"0.254471398","Serum_FF_218":"0.648024351","Serum_FF_219":"0.639599984","Serum_FF_225":"0.686653828","Serum_FF_226":"0.775364844"},{"Metabolite":"FA 15:1;2O_3","Serum_CreERT2_210":"2.172230492","Serum_CreERT2_216":"3.210433529","Serum_CreERT2_223":"4.93139516","Serum_CreERT2_232":"2.931806511","Serum_FF_218":"5.382001739","Serum_FF_219":"4.765847101","Serum_FF_225":"7.843334181","Serum_FF_226":"6.280473875"},{"Metabolite":"FA 15:1;2O_4","Serum_CreERT2_210":"0.4019962","Serum_CreERT2_216":"1.275419207","Serum_CreERT2_223":"0.355141162","Serum_CreERT2_232":"0.303774189","Serum_FF_218":"0.413010928","Serum_FF_219":"0.539371346","Serum_FF_225":"0.477079321","Serum_FF_226":"0.506675731"},{"Metabolite":"FA 16:0","Serum_CreERT2_210":"1.646353713","Serum_CreERT2_216":"0.757346655","Serum_CreERT2_223":"1.074419939","Serum_CreERT2_232":"1.413892388","Serum_FF_218":"1.024978258","Serum_FF_219":"0.973723381","Serum_FF_225":"0.849754733","Serum_FF_226":"0.893871579"},{"Metabolite":"FA 16:0_2","Serum_CreERT2_210":"10.52740161","Serum_CreERT2_216":"10.26369639","Serum_CreERT2_223":"13.16474665","Serum_CreERT2_232":"17.18383318","Serum_FF_218":"15.51968087","Serum_FF_219":"15.3769042","Serum_FF_225":"17.01160568","Serum_FF_226":"9.64476622"},{"Metabolite":"FA 16:0_3","Serum_CreERT2_210":"0.851942952","Serum_CreERT2_216":"0.393842477","Serum_CreERT2_223":"0.515579366","Serum_CreERT2_232":"0.761324982","Serum_FF_218":"0.614122585","Serum_FF_219":"0.58482071","Serum_FF_225":"0.565993242","Serum_FF_226":"0.596146745"},{"Metabolite":"FA 16:0;2O","Serum_CreERT2_210":"2.88658147","Serum_CreERT2_216":"3.877635841","Serum_CreERT2_223":"1.732763316","Serum_CreERT2_232":"2.83256012","Serum_FF_218":"1.296112981","Serum_FF_219":"1.733532693","Serum_FF_225":"1.481043567","Serum_FF_226":"1.556582385"},{"Metabolite":"FA 16:0;2O_2","Serum_CreERT2_210":"0.395464227","Serum_CreERT2_216":"0.283609892","Serum_CreERT2_223":"0.412524338","Serum_CreERT2_232":"0.536392245","Serum_FF_218":"0.610129693","Serum_FF_219":"0.50474709","Serum_FF_225":"0.528182115","Serum_FF_226":"0.418291744"},{"Metabolite":"FA 16:0;2O_3","Serum_CreERT2_210":"1.544183851","Serum_CreERT2_216":"0.52019745","Serum_CreERT2_223":"1.3312839","Serum_CreERT2_232":"1.413870442","Serum_FF_218":"0.950546376","Serum_FF_219":"0.853158692","Serum_FF_225":"0.810279423","Serum_FF_226":"0.838250265"},{"Metabolite":"FA 16:0;2O_4","Serum_CreERT2_210":"0.491991601","Serum_CreERT2_216":"0.433479154","Serum_CreERT2_223":"0.46822412","Serum_CreERT2_232":"0.650280683","Serum_FF_218":"0.718429311","Serum_FF_219":"0.527496916","Serum_FF_225":"0.60824098","Serum_FF_226":"0.406603608"},{"Metabolite":"FA 16:0;2O_5","Serum_CreERT2_210":"0.346560654","Serum_CreERT2_216":"1.166718671","Serum_CreERT2_223":"0.409757313","Serum_CreERT2_232":"0.423548414","Serum_FF_218":"0.372374939","Serum_FF_219":"0.489466556","Serum_FF_225":"0.522829839","Serum_FF_226":"0.546826742"},{"Metabolite":"FA 16:1;2O","Serum_CreERT2_210":"0.662400765","Serum_CreERT2_216":"0.508927067","Serum_CreERT2_223":"0.942245955","Serum_CreERT2_232":"1","Serum_FF_218":"1.161708322","Serum_FF_219":"1.235520705","Serum_FF_225":"1.317986265","Serum_FF_226":"1.012285139"},{"Metabolite":"FA 16:1;2O_2","Serum_CreERT2_210":"0.756637864","Serum_CreERT2_216":"0.676775273","Serum_CreERT2_223":"0.691292708","Serum_CreERT2_232":"0.872553624","Serum_FF_218":"0.296192385","Serum_FF_219":"0.294594486","Serum_FF_225":"0.300403328","Serum_FF_226":"0.248660195"},{"Metabolite":"FA 16:1;3O","Serum_CreERT2_210":"0.183206869","Serum_CreERT2_216":"0.458865598","Serum_CreERT2_223":"0.207619605","Serum_CreERT2_232":"0.16064116","Serum_FF_218":"0.150935834","Serum_FF_219":"0.171917744","Serum_FF_225":"0.172929763","Serum_FF_226":"0.19882601"},{"Metabolite":"FA 16:1;3O_2","Serum_CreERT2_210":"0.659142342","Serum_CreERT2_216":"1.738353625","Serum_CreERT2_223":"0.387424088","Serum_CreERT2_232":"0.545403073","Serum_FF_218":"1.344625099","Serum_FF_219":"0.983331545","Serum_FF_225":"0.781933796","Serum_FF_226":"1.409881945"},{"Metabolite":"FA 16:1;3O_3","Serum_CreERT2_210":"0.67879272","Serum_CreERT2_216":"3.594135157","Serum_CreERT2_223":"2.171242641","Serum_CreERT2_232":"1.638610059","Serum_FF_218":"1.182232389","Serum_FF_219":"1.411038996","Serum_FF_225":"1.851811344","Serum_FF_226":"1.541916137"},{"Metabolite":"FA 16:1;3O_4","Serum_CreERT2_210":"0.566375617","Serum_CreERT2_216":"3.24103705","Serum_CreERT2_223":"0.731169742","Serum_CreERT2_232":"0.438115846","Serum_FF_218":"0.603100541","Serum_FF_219":"0.601767419","Serum_FF_225":"0.755761055","Serum_FF_226":"0.850590618"},{"Metabolite":"FA 16:1;3O_5","Serum_CreERT2_210":"0.171253267","Serum_CreERT2_216":"0.554507841","Serum_CreERT2_223":"0.240409578","Serum_CreERT2_232":"0.187827262","Serum_FF_218":"0.218210005","Serum_FF_219":"0.233529341","Serum_FF_225":"0.258220995","Serum_FF_226":"0.1708083"},{"Metabolite":"FA 16:1;3O_6","Serum_CreERT2_210":"4.896743997","Serum_CreERT2_216":"14.79664634","Serum_CreERT2_223":"4.432913402","Serum_CreERT2_232":"2.996247317","Serum_FF_218":"5.014769161","Serum_FF_219":"4.529555329","Serum_FF_225":"4.25464191","Serum_FF_226":"5.431705322"},{"Metabolite":"FA 16:1;3O_7","Serum_CreERT2_210":"2.341081542","Serum_CreERT2_216":"5.999151289","Serum_CreERT2_223":"2.745749502","Serum_CreERT2_232":"1.616870833","Serum_FF_218":"4.153514576","Serum_FF_219":"2.398058252","Serum_FF_225":"2.925998329","Serum_FF_226":"2.924094402"},{"Metabolite":"FA 16:2","Serum_CreERT2_210":"0.306509585","Serum_CreERT2_216":"0.741929445","Serum_CreERT2_223":"3.003077048","Serum_CreERT2_232":"0","Serum_FF_218":"0.089556471","Serum_FF_219":"0","Serum_FF_225":"0","Serum_FF_226":"0.00864791"},{"Metabolite":"FA 16:2;2O","Serum_CreERT2_210":"7.16453069","Serum_CreERT2_216":"5.672303938","Serum_CreERT2_223":"4.01883895","Serum_CreERT2_232":"3.915847733","Serum_FF_218":"14.13893825","Serum_FF_219":"9.537279408","Serum_FF_225":"7.296667999","Serum_FF_226":"11.3079636"},{"Metabolite":"FA 16:2;2O_2","Serum_CreERT2_210":"2.893670128","Serum_CreERT2_216":"1.827905119","Serum_CreERT2_223":"2.871809953","Serum_CreERT2_232":"3.719321269","Serum_FF_218":"1.198192612","Serum_FF_219":"1.257465939","Serum_FF_225":"0.924276007","Serum_FF_226":"0.859621576"},{"Metabolite":"FA 16:2;2O_3","Serum_CreERT2_210":"0.918609013","Serum_CreERT2_216":"0.633275713","Serum_CreERT2_223":"0.29484609","Serum_CreERT2_232":"0.670773404","Serum_FF_218":"0.65224033","Serum_FF_219":"0.363916752","Serum_FF_225":"0.211195087","Serum_FF_226":"0.56352901"},{"Metabolite":"FA 16:2;2O_4","Serum_CreERT2_210":"1.096294414","Serum_CreERT2_216":"0.758794456","Serum_CreERT2_223":"0.367136433","Serum_CreERT2_232":"0.713444261","Serum_FF_218":"1.469342459","Serum_FF_219":"0.949894062","Serum_FF_225":"0.479190436","Serum_FF_226":"1.158022783"},{"Metabolite":"FA 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20:5;3O_3","Average Rt(min)":"4.478","Average Mz":"349.20248","Adduct type":"[M-H]-"},{"Metabolite":"FA 20:5;4O","Average Rt(min)":"5.99","Average Mz":"365.19806","Adduct type":"[M-H]-"},{"Metabolite":"FA 22:1;2O","Average Rt(min)":"8.292","Average Mz":"369.30176","Adduct type":"[M-H]-"},{"Metabolite":"FA 22:2;2O","Average Rt(min)":"8.878","Average Mz":"351.29193","Adduct type":"[M-H]-"},{"Metabolite":"FA 22:3;2O","Average Rt(min)":"7.457","Average Mz":"365.27084","Adduct type":"[M-H]-"},{"Metabolite":"FA 22:3;2O_2","Average Rt(min)":"8.514","Average Mz":"349.27762","Adduct type":"[M-H]-"},{"Metabolite":"FA 22:4;2O","Average Rt(min)":"7.832","Average Mz":"347.26044","Adduct type":"[M-H]-"},{"Metabolite":"FA 22:5","Average Rt(min)":"8.393","Average Mz":"329.24936","Adduct type":"[M-H]-"},{"Metabolite":"FA 22:5;2O","Average Rt(min)":"5.083","Average Mz":"361.2395","Adduct type":"[M-H]-"},{"Metabolite":"FA 22:5;2O_2","Average Rt(min)":"5.256","Average Mz":"361.23953","Adduct 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Mz":"427.32312","Adduct type":"[M-H]-"},{"Metabolite":"FA 28:7","Average Rt(min)":"21.748","Average Mz":"409.31213","Adduct type":"[M-H]-"},{"Metabolite":"FA 28:7_2","Average Rt(min)":"23.74","Average Mz":"409.31201","Adduct type":"[M-H]-"},{"Metabolite":"FA 28:7_3","Average Rt(min)":"21.54","Average Mz":"409.31207","Adduct type":"[M-H]-"},{"Metabolite":"FA 28:7_4","Average Rt(min)":"24.808","Average Mz":"409.31201","Adduct type":"[M-H]-"},{"Metabolite":"FA 28:7_5","Average Rt(min)":"23.613","Average Mz":"409.31204","Adduct type":"[M-H]-"},{"Metabolite":"FA 28:7_6","Average Rt(min)":"20.006","Average Mz":"409.31238","Adduct type":"[M-H]-"},{"Metabolite":"FA 28:7_7","Average Rt(min)":"16.424","Average Mz":"409.31204","Adduct type":"[M-H]-"},{"Metabolite":"FA 28:7_8","Average Rt(min)":"12.303","Average Mz":"409.31195","Adduct type":"[M-H]-"},{"Metabolite":"FA 28:7_9","Average Rt(min)":"22.749","Average Mz":"409.31189","Adduct type":"[M-H]-"},{"Metabolite":"FA 28:7_10","Average Rt(min)":"16.484","Average Mz":"409.31168","Adduct type":"[M-H]-"},{"Metabolite":"FA 28:7_11","Average Rt(min)":"10.383","Average Mz":"409.31189","Adduct type":"[M-H]-"},{"Metabolite":"FA 28:7_12","Average Rt(min)":"15.322","Average Mz":"409.3121","Adduct type":"[M-H]-"},{"Metabolite":"FA 28:7_13","Average Rt(min)":"22.251","Average Mz":"409.31195","Adduct type":"[M-H]-"},{"Metabolite":"FA 40:8","Average Rt(min)":"9.283","Average Mz":"575.4726","Adduct type":"[M-H]-"},{"Metabolite":"LPA 16:0","Average Rt(min)":"6.961","Average Mz":"409.23865","Adduct type":"[M-H]-"},{"Metabolite":"LPA 16:0_2","Average Rt(min)":"6.775","Average Mz":"409.23853","Adduct type":"[M-H]-"},{"Metabolite":"LPE 16:0","Average Rt(min)":"7.017","Average Mz":"452.27991","Adduct type":"[M-H]-"},{"Metabolite":"LPE 16:0_2","Average Rt(min)":"6.674","Average Mz":"452.27979","Adduct type":"[M-H]-"},{"Metabolite":"LPE 16:0_3","Average Rt(min)":"6.705","Average Mz":"452.27994","Adduct type":"[M-H]-"},{"Metabolite":"LPE 16:0_4","Average Rt(min)":"6.468","Average Mz":"452.27985","Adduct type":"[M-H]-"},{"Metabolite":"LPE 16:1","Average Rt(min)":"5.768","Average Mz":"450.26257","Adduct type":"[M-H]-"},{"Metabolite":"LPE 17:0","Average Rt(min)":"7.513","Average Mz":"466.29538","Adduct type":"[M-H]-"},{"Metabolite":"LPE 17:0_2","Average Rt(min)":"7.241","Average Mz":"466.29556","Adduct type":"[M-H]-"},{"Metabolite":"LPE 17:0_3","Average Rt(min)":"7.069","Average Mz":"466.29587","Adduct type":"[M-H]-"},{"Metabolite":"LPE 18:0","Average Rt(min)":"7.973","Average Mz":"480.31165","Adduct type":"[M-H]-"},{"Metabolite":"LPE 18:0_2","Average Rt(min)":"7.746","Average Mz":"480.31174","Adduct type":"[M-H]-"},{"Metabolite":"LPE 18:1","Average Rt(min)":"6.95","Average Mz":"478.29559","Adduct type":"[M-H]-"},{"Metabolite":"LPE 18:1_2","Average Rt(min)":"6.766","Average Mz":"478.29541","Adduct type":"[M-H]-"},{"Metabolite":"LPE 18:1_3","Average Rt(min)":"7.227","Average Mz":"478.2952","Adduct type":"[M-H]-"},{"Metabolite":"LPE 18:1_4","Average Rt(min)":"6.909","Average Mz":"478.29553","Adduct type":"[M-H]-"},{"Metabolite":"LPE 18:2","Average Rt(min)":"6.236","Average Mz":"476.2778","Adduct type":"[M-H]-"},{"Metabolite":"LPE 18:2_2","Average Rt(min)":"6.405","Average Mz":"476.27798","Adduct type":"[M-H]-"},{"Metabolite":"LPE 18:2_3","Average Rt(min)":"6.036","Average Mz":"476.27805","Adduct type":"[M-H]-"},{"Metabolite":"LPE 18:2_4","Average Rt(min)":"6.567","Average Mz":"476.27786","Adduct type":"[M-H]-"},{"Metabolite":"LPE 18:2_5","Average Rt(min)":"6.185","Average Mz":"476.28064","Adduct type":"[M-H]-"},{"Metabolite":"LPE 18:3","Average Rt(min)":"5.31","Average Mz":"474.26486","Adduct type":"[M-H]-"},{"Metabolite":"LPE 18:3_2","Average Rt(min)":"5.546","Average Mz":"474.26202","Adduct type":"[M-H]-"},{"Metabolite":"LPE 18:3_3","Average Rt(min)":"5.791","Average Mz":"474.26492","Adduct type":"[M-H]-"},{"Metabolite":"LPE 18:3_4","Average Rt(min)":"5.969","Average Mz":"474.26483","Adduct type":"[M-H]-"},{"Metabolite":"LPE 19:0","Average Rt(min)":"8.198","Average Mz":"494.32803","Adduct type":"[M-H]-"},{"Metabolite":"LPE 20:0","Average Rt(min)":"8.612","Average Mz":"508.3428","Adduct type":"[M-H]-"},{"Metabolite":"LPE 20:1","Average Rt(min)":"7.868","Average Mz":"506.32535","Adduct type":"[M-H]-"},{"Metabolite":"LPE 20:1_2","Average Rt(min)":"8.085","Average Mz":"506.32773","Adduct type":"[M-H]-"},{"Metabolite":"LPE 20:3","Average Rt(min)":"6.913","Average Mz":"502.29578","Adduct type":"[M-H]-"},{"Metabolite":"LPE 20:3_2","Average Rt(min)":"6.637","Average Mz":"502.29556","Adduct type":"[M-H]-"},{"Metabolite":"LPE 20:4","Average Rt(min)":"6.196","Average Mz":"500.28064","Adduct type":"[M-H]-"},{"Metabolite":"LPE 20:4_2","Average Rt(min)":"6.232","Average Mz":"500.28052","Adduct type":"[M-H]-"},{"Metabolite":"LPE 20:4_3","Average Rt(min)":"6.055","Average Mz":"500.27783","Adduct type":"[M-H]-"},{"Metabolite":"LPE 20:4_4","Average Rt(min)":"6.535","Average Mz":"500.27777","Adduct type":"[M-H]-"},{"Metabolite":"LPE 20:4_5","Average Rt(min)":"6.379","Average Mz":"500.27789","Adduct type":"[M-H]-"},{"Metabolite":"LPE 20:5","Average Rt(min)":"5.555","Average Mz":"498.26291","Adduct type":"[M-H]-"},{"Metabolite":"LPE 20:5_2","Average Rt(min)":"5.36","Average Mz":"498.26288","Adduct type":"[M-H]-"},{"Metabolite":"LPE 20:5_3","Average Rt(min)":"5.793","Average Mz":"498.26312","Adduct type":"[M-H]-"},{"Metabolite":"LPE 20:5_4","Average Rt(min)":"5.945","Average Mz":"498.26288","Adduct type":"[M-H]-"},{"Metabolite":"LPE 22:5","Average Rt(min)":"6.742","Average Mz":"526.29651","Adduct type":"[M-H]-"},{"Metabolite":"LPE 22:6","Average Rt(min)":"6.157","Average Mz":"524.27771","Adduct type":"[M-H]-"},{"Metabolite":"LPE 22:6_2","Average Rt(min)":"6.03","Average Mz":"524.27765","Adduct type":"[M-H]-"},{"Metabolite":"LPE 22:6_3","Average Rt(min)":"6.445","Average Mz":"524.27747","Adduct type":"[M-H]-"},{"Metabolite":"LPE 22:6_4","Average Rt(min)":"6.316","Average Mz":"524.27765","Adduct type":"[M-H]-"},{"Metabolite":"LPE O-20:1","Average Rt(min)":"8.92","Average Mz":"492.3465","Adduct type":"[M-H]-"},{"Metabolite":"LPG 16:0","Average Rt(min)":"6.552","Average Mz":"483.27463","Adduct type":"[M-H]-"},{"Metabolite":"LPG 18:2","Average Rt(min)":"6.346","Average Mz":"507.2746","Adduct type":"[M-H]-"},{"Metabolite":"LPG 18:2_2","Average Rt(min)":"6.111","Average Mz":"507.27496","Adduct type":"[M-H]-"},{"Metabolite":"LPG 22:6","Average Rt(min)":"6.102","Average Mz":"555.27356","Adduct type":"[M-H]-"},{"Metabolite":"LPG 22:6_2","Average Rt(min)":"5.906","Average Mz":"555.27338","Adduct type":"[M-H]-"},{"Metabolite":"LPI 18:2","Average Rt(min)":"5.678","Average Mz":"595.28906","Adduct type":"[M-H]-"},{"Metabolite":"LPI 18:2_2","Average Rt(min)":"6.099","Average Mz":"595.28931","Adduct type":"[M-H]-"},{"Metabolite":"LPI 20:4","Average Rt(min)":"5.677","Average Mz":"619.29175","Adduct type":"[M-H]-"},{"Metabolite":"LPI 20:4_2","Average Rt(min)":"5.906","Average Mz":"619.29199","Adduct type":"[M-H]-"},{"Metabolite":"LPS 20:4","Average Rt(min)":"5.532","Average Mz":"544.26953","Adduct type":"[M-H]-"},{"Metabolite":"NAGlySer 15:1;O","Average Rt(min)":"9.213","Average Mz":"399.25638","Adduct type":"[M-H]-"},{"Metabolite":"NAGlySer 17:0;O","Average Rt(min)":"5.823","Average Mz":"429.30258","Adduct type":"[M-H]-"},{"Metabolite":"NAGlySer 19:1;O","Average Rt(min)":"5.583","Average Mz":"455.31757","Adduct type":"[M-H]-"},{"Metabolite":"NAGlySer 19:1;O_2","Average Rt(min)":"8.42","Average Mz":"455.31998","Adduct type":"[M-H]-"},{"Metabolite":"NAGlySer 20:0;O","Average Rt(min)":"4.971","Average Mz":"471.34869","Adduct type":"[M-H]-"},{"Metabolite":"NAGlySer 9:0;O","Average Rt(min)":"3.235","Average Mz":"317.17755","Adduct type":"[M-H]-"},{"Metabolite":"OxFA 16:1;(2OH)","Average Rt(min)":"6.964","Average Mz":"269.21307","Adduct type":"[M-H]-"},{"Metabolite":"PE 32:0|PE 16:0_16:0","Average Rt(min)":"13.894","Average Mz":"690.50812","Adduct type":"[M-H]-"},{"Metabolite":"PE 34:1|PE 16:0_18:1","Average Rt(min)":"14.014","Average Mz":"716.52704","Adduct type":"[M-H]-"},{"Metabolite":"PE 34:2|PE 16:0_18:2","Average Rt(min)":"12.895","Average Mz":"714.50879","Adduct type":"[M-H]-"},{"Metabolite":"PE 34:3|PE 16:0_18:3","Average Rt(min)":"12.019","Average Mz":"712.49396","Adduct type":"[M-H]-"},{"Metabolite":"PE 36:2|PE 18:0_18:2","Average Rt(min)":"14.345","Average Mz":"742.54364","Adduct type":"[M-H]-"},{"Metabolite":"PE 36:3|PE 18:1_18:2","Average Rt(min)":"13.015","Average Mz":"740.52753","Adduct type":"[M-H]-"},{"Metabolite":"PE 36:4|PE 16:0_20:4","Average Rt(min)":"12.656","Average Mz":"738.5094","Adduct type":"[M-H]-"},{"Metabolite":"PE 36:4|PE 18:2_18:2","Average Rt(min)":"12.032","Average Mz":"738.5094","Adduct type":"[M-H]-"},{"Metabolite":"PE 36:5|PE 16:0_20:5","Average Rt(min)":"11.797","Average Mz":"736.49384","Adduct type":"[M-H]-"},{"Metabolite":"PE 38:4|PE 18:0_20:4","Average Rt(min)":"14.076","Average Mz":"766.54028","Adduct type":"[M-H]-"},{"Metabolite":"PE 38:5|PE 16:0_22:5","Average Rt(min)":"12.76","Average Mz":"764.52783","Adduct type":"[M-H]-"},{"Metabolite":"PE 38:5|PE 18:0_20:5","Average Rt(min)":"13.14","Average Mz":"764.5282","Adduct type":"[M-H]-"},{"Metabolite":"PE 38:6|PE 16:0_22:6","Average Rt(min)":"12.305","Average Mz":"762.51257","Adduct type":"[M-H]-"},{"Metabolite":"PE 38:6|PE 16:0_22:6_2","Average Rt(min)":"12.081","Average Mz":"762.5127","Adduct type":"[M-H]-"},{"Metabolite":"PE 40:6|PE 18:0_22:6","Average Rt(min)":"13.671","Average Mz":"790.54297","Adduct type":"[M-H]-"},{"Metabolite":"PE O-36:2|PE O-18:0_18:2","Average Rt(min)":"15.343","Average Mz":"728.56097","Adduct type":"[M-H]-"},{"Metabolite":"PE O-38:5|PE O-18:1_20:4","Average Rt(min)":"14.744","Average Mz":"750.54657","Adduct type":"[M-H]-"},{"Metabolite":"PE O-38:7|PE O-16:1_22:6","Average Rt(min)":"12.891","Average Mz":"746.51776","Adduct type":"[M-H]-"},{"Metabolite":"PE O-40:7|PE O-18:1_22:6","Average Rt(min)":"14.294","Average Mz":"774.54718","Adduct type":"[M-H]-"},{"Metabolite":"PE-Cer 34:1;2O","Average Rt(min)":"12.065","Average Mz":"659.51404","Adduct type":"[M-H]-"},{"Metabolite":"PEtOH 31:3|PEtOH 15:0_16:3","Average Rt(min)":"8.826","Average Mz":"655.42963","Adduct type":"[M-H]-"},{"Metabolite":"PI O-16:0","Average Rt(min)":"6.53","Average Mz":"571.29083","Adduct type":"[M-H]-"},{"Metabolite":"PI O-18:0","Average Rt(min)":"7.462","Average Mz":"599.32367","Adduct type":"[M-H]-"},{"Metabolite":"PI O-18:0_2","Average Rt(min)":"7.217","Average Mz":"599.32367","Adduct type":"[M-H]-"},{"Metabolite":"PMeOH 26:0|PMeOH 13:0_13:0","Average Rt(min)":"4.887","Average Mz":"577.37665","Adduct type":"[M-H]-"},{"Metabolite":"SE 28:1;O;S","Average Rt(min)":"9.076","Average Mz":"479.32144","Adduct type":"[M-H]-"},{"Metabolite":"ST 24:1;O3;T","Average Rt(min)":"1.307","Average Mz":"498.29013","Adduct type":"[M-H]-"},{"Metabolite":"ST 24:1;O3;T_2","Average Rt(min)":"0.748","Average Mz":"498.28964","Adduct type":"[M-H]-"},{"Metabolite":"ST 24:1;O3;T_3","Average Rt(min)":"3.55","Average Mz":"498.29007","Adduct type":"[M-H]-"},{"Metabolite":"ST 24:1;O3;T_4","Average Rt(min)":"3.159","Average Mz":"498.29309","Adduct type":"[M-H]-"},{"Metabolite":"ST 24:1;O3;T_5","Average Rt(min)":"1.017","Average Mz":"498.28992","Adduct type":"[M-H]-"},{"Metabolite":"ST 24:1;O3;T_6","Average Rt(min)":"3.353","Average Mz":"498.28979","Adduct type":"[M-H]-"},{"Metabolite":"ST 24:1;O3;T_7","Average Rt(min)":"3.233","Average Mz":"498.29245","Adduct type":"[M-H]-"},{"Metabolite":"ST 24:1;O3;T_8","Average Rt(min)":"1.558","Average Mz":"498.29004","Adduct type":"[M-H]-"},{"Metabolite":"ST 24:1;O4","Average Rt(min)":"7.754","Average Mz":"391.28583","Adduct type":"[M-H]-"},{"Metabolite":"ST 24:1;O4_2","Average Rt(min)":"5.048","Average Mz":"391.28787","Adduct type":"[M-H]-"},{"Metabolite":"ST 24:1;O4_3","Average Rt(min)":"5.52","Average Mz":"391.28601","Adduct type":"[M-H]-"},{"Metabolite":"ST 24:1;O4;T","Average Rt(min)":"1.32","Average Mz":"514.28479","Adduct type":"[M-H]-"},{"Metabolite":"ST 24:1;O4;T_2","Average Rt(min)":"1.168","Average Mz":"514.28479","Adduct type":"[M-H]-"},{"Metabolite":"ST 24:1;O4;T_3","Average Rt(min)":"1.521","Average Mz":"514.28461","Adduct type":"[M-H]-"},{"Metabolite":"ST 24:1;O4;T_4","Average Rt(min)":"3.206","Average Mz":"514.28729","Adduct type":"[M-H]-"},{"Metabolite":"ST 24:1;O4;T_5","Average Rt(min)":"3.37","Average Mz":"514.28448","Adduct type":"[M-H]-"},{"Metabolite":"ST 24:1;O4;T_6","Average Rt(min)":"0.668","Average Mz":"514.28485","Adduct type":"[M-H]-"},{"Metabolite":"ST 27:1;O;S","Average Rt(min)":"8.837","Average Mz":"465.30566","Adduct type":"[M-H]-"}]
}

}