{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003240","ANALYSIS_ID":"AN005307","PROJECT_ID":"PR002013","VERSION":"1","CREATED_ON":"June 4, 2024, 2:42 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 liver from Gclc WT and whole-body Gclc KO mice.","STUDY_SUMMARY":"We found decreased triglycerides in the liver 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":"Liver_CreERT2_210",
"Factors":{"Sample source":"liver","Genotype":"Gclc KO"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pos_Liver_CreERT2_210.raw","RAW_FILE_NAME(Raw file name)":"Neg_Liver_CreERT2_210.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Liver_CreERT2_216",
"Factors":{"Sample source":"liver","Genotype":"Gclc KO"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pos_Liver_CreERT2_216.raw","RAW_FILE_NAME(Raw file name)":"Neg_Liver_CreERT2_216.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Liver_CreERT2_223",
"Factors":{"Sample source":"liver","Genotype":"Gclc KO"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pos_Liver_CreERT2_223.raw","RAW_FILE_NAME(Raw file name)":"Neg_Liver_CreERT2_223.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Liver_CreERT2_232",
"Factors":{"Sample source":"liver","Genotype":"Gclc KO"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pos_Liver_CreERT2_232.raw","RAW_FILE_NAME(Raw file name)":"Neg_Liver_CreERT2_232.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Liver_FF_218",
"Factors":{"Sample source":"liver","Genotype":"Gclc WT"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pos_Liver_FF_218.raw","RAW_FILE_NAME(Raw file name)":"Neg_Liver_FF_218.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Liver_FF_219",
"Factors":{"Sample source":"liver","Genotype":"Gclc WT"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pos_Liver_FF_219.raw","RAW_FILE_NAME(Raw file name)":"Neg_Liver_FF_219.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Liver_FF_225",
"Factors":{"Sample source":"liver","Genotype":"Gclc WT"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pos_Liver_FF_225.raw","RAW_FILE_NAME(Raw file name)":"Neg_Liver_FF_225.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Liver_FF_226",
"Factors":{"Sample source":"liver","Genotype":"Gclc WT"},
"Additional sample data":{"RAW_FILE_NAME(Raw file name)":"Pos_Liver_FF_226.raw","RAW_FILE_NAME(Raw file name)":"Neg_Liver_FF_226.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Mice were euthanized with CO2 inhalation. Tissues were isolated, snap frozen on dry ice, and stored at -80C.","SAMPLE_TYPE":"Liver"},

"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 tissue was isolated and stored."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Tissues were homogenized with a pre-chilled BioPulverizer (59012MS, BioSpec) and then placed on dry ice. The chloroform:methanol extraction solvent (v:v = 1:1) was added to the homogenate to meet 50 mg/mL. The samples were then sonicated in ice-cold water using BiorupterTM UCD-200 sonicator for 5 min (30 s sonication and 30 s rest cycle; high voltage mode). The lipid extracts were cleared by centrifugation (17,000g, 20°C, 10 min), and the lipids in the supernatant were analyzed by LC-MS."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Perkin Elmer Brownlee SPP C18 (75 × 2.1mm, 2.7um)","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":"POSITIVE","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":"AHexCer 43:2;3O","Liver_CreERT2_210":"52.61548807","Liver_CreERT2_216":"85.6486887","Liver_CreERT2_223":"71.31268114","Liver_CreERT2_232":"78.31563192","Liver_FF_218":"81.54159506","Liver_FF_219":"76.43177352","Liver_FF_225":"89.60579481","Liver_FF_226":"77.32087051"},{"Metabolite":"AHexCer 43:3;3O","Liver_CreERT2_210":"0.216914779","Liver_CreERT2_216":"0.333454055","Liver_CreERT2_223":"0.412225583","Liver_CreERT2_232":"0.468571701","Liver_FF_218":"0.408134646","Liver_FF_219":"0.33543729","Liver_FF_225":"0.469835282","Liver_FF_226":"0.375629781"},{"Metabolite":"AHexCer 43:5;3O","Liver_CreERT2_210":"0.625434712","Liver_CreERT2_216":"0.966322174","Liver_CreERT2_223":"1.22139183","Liver_CreERT2_232":"1.142045415","Liver_FF_218":"0.63095105","Liver_FF_219":"0.548148571","Liver_FF_225":"0.817827394","Liver_FF_226":"0.801790939"},{"Metabolite":"CAR 10:0","Liver_CreERT2_210":"0.71037651","Liver_CreERT2_216":"3.211440566","Liver_CreERT2_223":"1.294866491","Liver_CreERT2_232":"0.903764289","Liver_FF_218":"0.619506613","Liver_FF_219":"0.975971931","Liver_FF_225":"0.859317922","Liver_FF_226":"1.154028855"},{"Metabolite":"CAR 11:0","Liver_CreERT2_210":"0.229033068","Liver_CreERT2_216":"0.355435774","Liver_CreERT2_223":"0.441137145","Liver_CreERT2_232":"0.411138322","Liver_FF_218":"0.606733862","Liver_FF_219":"1.114338352","Liver_FF_225":"1.036663958","Liver_FF_226":"0.968421556"},{"Metabolite":"CAR 12:0","Liver_CreERT2_210":"0.887946537","Liver_CreERT2_216":"5.139725553","Liver_CreERT2_223":"1.11872852","Liver_CreERT2_232":"0.823270049","Liver_FF_218":"0.605421033","Liver_FF_219":"0.820644624","Liver_FF_225":"0.767067587","Liver_FF_226":"0.585839694"},{"Metabolite":"CAR 14:0","Liver_CreERT2_210":"0.672228802","Liver_CreERT2_216":"2.565761909","Liver_CreERT2_223":"0.638202759","Liver_CreERT2_232":"0.578056749","Liver_FF_218":"0.339674905","Liver_FF_219":"0.375043092","Liver_FF_225":"0.358009576","Liver_FF_226":"0.293120363"},{"Metabolite":"CAR 14:0_2","Liver_CreERT2_210":"0.31510344","Liver_CreERT2_216":"1.189341207","Liver_CreERT2_223":"0.347708569","Liver_CreERT2_232":"0.284748153","Liver_FF_218":"0.193984648","Liver_FF_219":"0.227188969","Liver_FF_225":"0.153996535","Liver_FF_226":"0.177457859"},{"Metabolite":"CAR 14:1","Liver_CreERT2_210":"0.505927824","Liver_CreERT2_216":"2.548031747","Liver_CreERT2_223":"1.315783678","Liver_CreERT2_232":"0.566372114","Liver_FF_218":"0.37919914","Liver_FF_219":"0.468122499","Liver_FF_225":"0.242285205","Liver_FF_226":"0.359245785"},{"Metabolite":"CAR 15:0","Liver_CreERT2_210":"0.061138528","Liver_CreERT2_216":"0.190105866","Liver_CreERT2_223":"0.058938989","Liver_CreERT2_232":"0.056643708","Liver_FF_218":"0.031795299","Liver_FF_219":"0.038434276","Liver_FF_225":"0.034776893","Liver_FF_226":"0.03134047"},{"Metabolite":"CAR 15:0_2","Liver_CreERT2_210":"0.140093399","Liver_CreERT2_216":"0.517650785","Liver_CreERT2_223":"0.13206631","Liver_CreERT2_232":"0.132270386","Liver_FF_218":"0.057469328","Liver_FF_219":"0.083720233","Liver_FF_225":"0.106681695","Liver_FF_226":"0.062913973"},{"Metabolite":"CAR 16:0","Liver_CreERT2_210":"19.04390129","Liver_CreERT2_216":"52.49979433","Liver_CreERT2_223":"18.07465424","Liver_CreERT2_232":"17.31268801","Liver_FF_218":"8.671570703","Liver_FF_219":"11.5459101","Liver_FF_225":"10.03210062","Liver_FF_226":"8.715649275"},{"Metabolite":"CAR 16:0_2","Liver_CreERT2_210":"5.81517685","Liver_CreERT2_216":"14.48251151","Liver_CreERT2_223":"5.248655896","Liver_CreERT2_232":"4.884796159","Liver_FF_218":"2.926293898","Liver_FF_219":"3.821603465","Liver_FF_225":"2.679143241","Liver_FF_226":"3.382844064"},{"Metabolite":"CAR 16:1","Liver_CreERT2_210":"0.331242082","Liver_CreERT2_216":"1.068551132","Liver_CreERT2_223":"0.3899821","Liver_CreERT2_232":"0.291365903","Liver_FF_218":"0.203412922","Liver_FF_219":"0.271567143","Liver_FF_225":"0.179526612","Liver_FF_226":"0.173344884"},{"Metabolite":"CAR 16:1_2","Liver_CreERT2_210":"0.660364298","Liver_CreERT2_216":"2.745839674","Liver_CreERT2_223":"0.793475171","Liver_CreERT2_232":"0.634292989","Liver_FF_218":"0.283652198","Liver_FF_219":"0.5413814","Liver_FF_225":"0.25242232","Liver_FF_226":"0.302923027"},{"Metabolite":"CAR 16:2","Liver_CreERT2_210":"0.106166006","Liver_CreERT2_216":"0.700586527","Liver_CreERT2_223":"0.278785271","Liver_CreERT2_232":"0.17420874","Liver_FF_218":"0.093060031","Liver_FF_219":"0.113237252","Liver_FF_225":"0.053050267","Liver_FF_226":"0.067376656"},{"Metabolite":"CAR 16:2_2","Liver_CreERT2_210":"0.119482702","Liver_CreERT2_216":"0.823002706","Liver_CreERT2_223":"0.254263002","Liver_CreERT2_232":"0.151991291","Liver_FF_218":"0.071207422","Liver_FF_219":"0.123230607","Liver_FF_225":"0.066644071","Liver_FF_226":"0.049662366"},{"Metabolite":"CAR 16:2_3","Liver_CreERT2_210":"0.07287631","Liver_CreERT2_216":"0.501660432","Liver_CreERT2_223":"0.190113913","Liver_CreERT2_232":"0.103814581","Liver_FF_218":"0.068451998","Liver_FF_219":"0.112013964","Liver_FF_225":"0.037101538","Liver_FF_226":"0.064728183"},{"Metabolite":"CAR 16:3","Liver_CreERT2_210":"0.109742492","Liver_CreERT2_216":"0.705858283","Liver_CreERT2_223":"0.308083709","Liver_CreERT2_232":"0.144981312","Liver_FF_218":"0.093221076","Liver_FF_219":"0.097045411","Liver_FF_225":"0.089621923","Liver_FF_226":"0.064546475"},{"Metabolite":"CAR 16:4","Liver_CreERT2_210":"0.051843888","Liver_CreERT2_216":"0.617031602","Liver_CreERT2_223":"0.113141672","Liver_CreERT2_232":"0.04648347","Liver_FF_218":"0.015895791","Liver_FF_219":"0.014846717","Liver_FF_225":"0.013496619","Liver_FF_226":"0.002056168"},{"Metabolite":"CAR 18:0","Liver_CreERT2_210":"6.823663468","Liver_CreERT2_216":"33.06900949","Liver_CreERT2_223":"9.179002628","Liver_CreERT2_232":"9.284336874","Liver_FF_218":"6.973882477","Liver_FF_219":"8.421509025","Liver_FF_225":"6.30346294","Liver_FF_226":"7.078961491"},{"Metabolite":"CAR 18:0_2","Liver_CreERT2_210":"5.94222914","Liver_CreERT2_216":"25.31855531","Liver_CreERT2_223":"7.859006758","Liver_CreERT2_232":"7.634322066","Liver_FF_218":"5.854299832","Liver_FF_219":"7.430351982","Liver_FF_225":"5.279182604","Liver_FF_226":"7.121574228"},{"Metabolite":"CAR 18:1","Liver_CreERT2_210":"13.56912865","Liver_CreERT2_216":"37.39919167","Liver_CreERT2_223":"16.30382937","Liver_CreERT2_232":"13.10556497","Liver_FF_218":"6.272496094","Liver_FF_219":"14.59062139","Liver_FF_225":"6.133118678","Liver_FF_226":"7.603496762"},{"Metabolite":"CAR 18:1_2","Liver_CreERT2_210":"4.01767259","Liver_CreERT2_216":"10.65872093","Liver_CreERT2_223":"4.4714397","Liver_CreERT2_232":"3.564370266","Liver_FF_218":"2.074905889","Liver_FF_219":"4.167533779","Liver_FF_225":"1.388836036","Liver_FF_226":"2.678606364"},{"Metabolite":"CAR 18:2","Liver_CreERT2_210":"12.40473599","Liver_CreERT2_216":"46.0564903","Liver_CreERT2_223":"19.23866472","Liver_CreERT2_232":"11.90555879","Liver_FF_218":"6.301439033","Liver_FF_219":"14.73623422","Liver_FF_225":"6.453228229","Liver_FF_226":"7.373082842"},{"Metabolite":"CAR 18:2_2","Liver_CreERT2_210":"3.09917859","Liver_CreERT2_216":"11.58870462","Liver_CreERT2_223":"4.494988894","Liver_CreERT2_232":"2.842121875","Liver_FF_218":"1.856010939","Liver_FF_219":"3.42530988","Liver_FF_225":"1.196460385","Liver_FF_226":"2.030821806"},{"Metabolite":"CAR 18:2_3","Liver_CreERT2_210":"0.142285483","Liver_CreERT2_216":"0.432038542","Liver_CreERT2_223":"0.310874846","Liver_CreERT2_232":"0.15392476","Liver_FF_218":"0.088256235","Liver_FF_219":"0.285697635","Liver_FF_225":"0.085453189","Liver_FF_226":"0.112145978"},{"Metabolite":"CAR 18:3","Liver_CreERT2_210":"0.606476168","Liver_CreERT2_216":"0.55207163","Liver_CreERT2_223":"0.507920201","Liver_CreERT2_232":"0.523215366","Liver_FF_218":"0.213028565","Liver_FF_219":"0.246343957","Liver_FF_225":"0.233157552","Liver_FF_226":"0.161219228"},{"Metabolite":"CAR 18:3_2","Liver_CreERT2_210":"0.197514071","Liver_CreERT2_216":"0.172444556","Liver_CreERT2_223":"0.204055219","Liver_CreERT2_232":"0.175149607","Liver_FF_218":"0.070221948","Liver_FF_219":"0.08588546","Liver_FF_225":"0.053492731","Liver_FF_226":"0.064891402"},{"Metabolite":"CAR 19:1","Liver_CreERT2_210":"0.194858703","Liver_CreERT2_216":"0.204802181","Liver_CreERT2_223":"0.184044449","Liver_CreERT2_232":"0.204456845","Liver_FF_218":"0.171627843","Liver_FF_219":"0.22830838","Liver_FF_225":"0.289539486","Liver_FF_226":"0.162830053"},{"Metabolite":"CAR 19:2","Liver_CreERT2_210":"0.072350687","Liver_CreERT2_216":"0.133723368","Liver_CreERT2_223":"0.093649135","Liver_CreERT2_232":"0.091765792","Liver_FF_218":"0.100264331","Liver_FF_219":"0.138782283","Liver_FF_225":"0.094278051","Liver_FF_226":"0.046668648"},{"Metabolite":"CAR 20:0","Liver_CreERT2_210":"0.715299246","Liver_CreERT2_216":"1.835761113","Liver_CreERT2_223":"1.042399332","Liver_CreERT2_232":"1.054056726","Liver_FF_218":"1.208197516","Liver_FF_219":"1.612684589","Liver_FF_225":"1.364123491","Liver_FF_226":"1.419460758"},{"Metabolite":"CAR 20:0_2","Liver_CreERT2_210":"0.232525073","Liver_CreERT2_216":"0.730832144","Liver_CreERT2_223":"0.346348617","Liver_CreERT2_232":"0.332341333","Liver_FF_218":"0.409118261","Liver_FF_219":"0.588087132","Liver_FF_225":"0.520535508","Liver_FF_226":"0.464609276"},{"Metabolite":"CAR 20:1","Liver_CreERT2_210":"0.255786369","Liver_CreERT2_216":"0.386432869","Liver_CreERT2_223":"0.257662229","Liver_CreERT2_232":"0.31039379","Liver_FF_218":"0.155458894","Liver_FF_219":"0.138791438","Liver_FF_225":"0.264619872","Liver_FF_226":"0.097505103"},{"Metabolite":"CAR 20:1_2","Liver_CreERT2_210":"0.884853093","Liver_CreERT2_216":"1.644138913","Liver_CreERT2_223":"1.057521201","Liver_CreERT2_232":"1.310215523","Liver_FF_218":"1.279390382","Liver_FF_219":"1.631880423","Liver_FF_225":"0.906080902","Liver_FF_226":"1.071698594"},{"Metabolite":"CAR 20:1_3","Liver_CreERT2_210":"0.961595101","Liver_CreERT2_216":"1.540668638","Liver_CreERT2_223":"0.999003072","Liver_CreERT2_232":"1.182006585","Liver_FF_218":"1.310800101","Liver_FF_219":"1.446585727","Liver_FF_225":"0.770313788","Liver_FF_226":"1.153484369"},{"Metabolite":"CAR 20:2","Liver_CreERT2_210":"1.352262922","Liver_CreERT2_216":"2.631633098","Liver_CreERT2_223":"2.051550744","Liver_CreERT2_232":"2.363937772","Liver_FF_218":"1.471783159","Liver_FF_219":"2.631415968","Liver_FF_225":"1.198852914","Liver_FF_226":"1.306359378"},{"Metabolite":"CAR 20:2_2","Liver_CreERT2_210":"1.204944333","Liver_CreERT2_216":"1.893013516","Liver_CreERT2_223":"1.515534887","Liver_CreERT2_232":"1.516439802","Liver_FF_218":"1.09539364","Liver_FF_219":"2.05446273","Liver_FF_225":"0.814776053","Liver_FF_226":"1.394180724"},{"Metabolite":"CAR 20:3","Liver_CreERT2_210":"0.429574157","Liver_CreERT2_216":"1.407230124","Liver_CreERT2_223":"0.351382269","Liver_CreERT2_232":"0.303518966","Liver_FF_218":"0.313023455","Liver_FF_219":"0.33071668","Liver_FF_225":"0.176019621","Liver_FF_226":"0.308077793"},{"Metabolite":"CAR 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Rt(min)":"13.123","Average Mz":"703.57623","Adduct type":"[M+H]+"},{"Metabolite":"SM 34:1;2O_3","Average Rt(min)":"12.948","Average Mz":"703.58228","Adduct type":"[M+H]+"},{"Metabolite":"SM 34:1;2O_4","Average Rt(min)":"13.04","Average Mz":"703.57452","Adduct type":"[M+H]+"},{"Metabolite":"SM 34:1;2O_5","Average Rt(min)":"11.877","Average Mz":"703.57672","Adduct type":"[M+H]+"},{"Metabolite":"SM 34:1;2O_6","Average Rt(min)":"14.216","Average Mz":"703.57794","Adduct type":"[M+H]+"},{"Metabolite":"SM 34:1;2O_7","Average Rt(min)":"11.95","Average Mz":"703.57825","Adduct type":"[M+H]+"},{"Metabolite":"SM 34:1;3O","Average Rt(min)":"14.292","Average Mz":"719.57312","Adduct type":"[M+H]+"},{"Metabolite":"SM 34:1;3O_2","Average Rt(min)":"11.266","Average Mz":"719.57306","Adduct type":"[M+H]+"},{"Metabolite":"SM 34:1;3O_3","Average Rt(min)":"11.201","Average Mz":"719.57275","Adduct type":"[M+H]+"},{"Metabolite":"SM 34:1;3O_4","Average Rt(min)":"11.51","Average Mz":"719.573","Adduct 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Mz":"733.62573","Adduct type":"[M+H]+"},{"Metabolite":"SM 36:1;2O","Average Rt(min)":"14.209","Average Mz":"731.60687","Adduct type":"[M+H]+"},{"Metabolite":"SM 36:1;2O_2","Average Rt(min)":"13.431","Average Mz":"731.60681","Adduct type":"[M+H]+"},{"Metabolite":"SM 36:1;2O|SM 17:0;2O/19:1","Average Rt(min)":"13.807","Average Mz":"731.60681","Adduct type":"[M+H]+"},{"Metabolite":"SM 36:1;2O|SM 18:0;2O/18:1","Average Rt(min)":"13.224","Average Mz":"731.60712","Adduct type":"[M+H]+"},{"Metabolite":"SM 36:1;2O|SM 22:0;2O/14:1","Average Rt(min)":"14.165","Average Mz":"731.60663","Adduct type":"[M+H]+"},{"Metabolite":"SM 36:2;2O","Average Rt(min)":"12.141","Average Mz":"729.59296","Adduct type":"[M+H]+"},{"Metabolite":"SM 36:2;2O_2","Average Rt(min)":"12.177","Average Mz":"729.59265","Adduct type":"[M+H]+"},{"Metabolite":"SM 36:2;2O|SM 15:2;2O/21:0","Average Rt(min)":"12.381","Average Mz":"729.59338","Adduct type":"[M+H]+"},{"Metabolite":"SM 36:3;2O","Average Rt(min)":"11.212","Average Mz":"727.57568","Adduct type":"[M+H]+"},{"Metabolite":"SM 36:4;3O","Average Rt(min)":"15.524","Average Mz":"741.55469","Adduct type":"[M+H]+"},{"Metabolite":"SM 38:1;2O|SM 25:1;2O/13:0","Average Rt(min)":"15.034","Average Mz":"759.64056","Adduct type":"[M+H]+"},{"Metabolite":"SM 38:2;2O","Average Rt(min)":"13.642","Average Mz":"757.62598","Adduct type":"[M+H]+"},{"Metabolite":"SM 38:4;3O","Average Rt(min)":"13.199","Average Mz":"769.59375","Adduct type":"[M+H]+"},{"Metabolite":"SM 39:1;2O","Average Rt(min)":"15.831","Average Mz":"773.6554","Adduct type":"[M+H]+"},{"Metabolite":"SM 39:2;2O","Average Rt(min)":"16.623","Average Mz":"771.63794","Adduct type":"[M+H]+"},{"Metabolite":"SM 39:6;3O","Average Rt(min)":"11.599","Average Mz":"779.56305","Adduct type":"[M+H]+"},{"Metabolite":"SM 40:1;2O","Average Rt(min)":"16.549","Average Mz":"787.67004","Adduct type":"[M+H]+"},{"Metabolite":"SM 40:1;2O_2","Average Rt(min)":"17.268","Average Mz":"787.6701","Adduct type":"[M+H]+"},{"Metabolite":"SM 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Mz":"792.70813","Adduct type":"[M+NH4]+"},{"Metabolite":"TG 48:0|TG 16:0_16:0_16:0","Average Rt(min)":"23.381","Average Mz":"824.76971","Adduct type":"[M+NH4]+"},{"Metabolite":"TG 48:1|TG 14:0_16:0_18:1","Average Rt(min)":"22.665","Average Mz":"822.75806","Adduct type":"[M+NH4]+"},{"Metabolite":"TG 48:2|TG 14:0_16:0_18:2","Average Rt(min)":"22.021","Average Mz":"820.74091","Adduct type":"[M+NH4]+"},{"Metabolite":"TG 48:3|TG 14:0_16:0_18:3","Average Rt(min)":"21.423","Average Mz":"818.72516","Adduct type":"[M+NH4]+"},{"Metabolite":"TG 48:3|TG 14:0_16:1_18:2","Average Rt(min)":"21.255","Average Mz":"818.7251","Adduct type":"[M+NH4]+"},{"Metabolite":"TG 49:2|TG 15:0_16:0_18:2","Average Rt(min)":"22.363","Average Mz":"834.758","Adduct type":"[M+NH4]+"},{"Metabolite":"TG 50:1|TG 16:0_16:0_18:1","Average Rt(min)":"23.312","Average Mz":"850.78662","Adduct type":"[M+NH4]+"},{"Metabolite":"TG 50:2|TG 16:0_16:1_18:1","Average Rt(min)":"22.688","Average Mz":"848.77179","Adduct 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}

}