{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001795","ANALYSIS_ID":"AN002916","VERSION":"1","CREATED_ON":"May 20, 2021, 12:58 pm"},

"PROJECT":{"PROJECT_TYPE":"Untargeted lipidomics","PROJECT_SUMMARY":"Untargeted lipidomic profiling of mice mesenteric lymph upon HFD diet and HFD supplemented with COX-2 inhibitor drug Celecoxib. It is proposed that Celecoxib can rescue from negative morphological changes induced by obesity/HFD diet in lymphatic system.","INSTITUTE":"Monash Institute of Pharmaceutical Sciences","DEPARTMENT":"Drug Delivery, Disposition and Dynamics","LABORATORY":"Trevaskis Lab, Creek Lab","FIRST_NAME":"Dovile","ADDRESS":"399 Royal Pd","EMAIL":"dovile.anderson@monash.edu","PHONE":"+61448671141","FUNDING_SOURCE":"Department of Health | National Health and Medical Research Council (NHMRC) - 1100036 [Trevaskis]","PROJECT_COMMENTS":"This lipidomics project is part of a larger obesity/lymph research as described in the manuscript","PUBLICATIONS":"Manuscript NATMETAB-A20022406A Mesenteric lymphatic dysfunction promotes insulin resistance and represents a potential novel treatment target in obesity","PROJECT_TITLE":"Changes in mesenteric lymph lipid profile of mice upon high-fat diet with and without Celecoxib","LAST_NAME":"Anderson","CONTRIBUTORS":"Dr Enyuan Cao , Matthew Watt , Cameron Nowell , Dr Tim Quach , Jamie Simpson , Ms Violena Ferreira , Sonya Argawal , Hannah Chu , Anubhav Srivastava , Dr Dovile Anderson , Gracia Gracia , Alina Lam , Gabriela Segal , Jiwon Hong , Dr Luojuan Hu , Kian Lium Phang , Alistair Escott , Professor John Windsor , Anthony Phillips , Darren Creek , Professor Natasha Harvey , Professor Christopher Porter"},

"STUDY":{"STUDY_TITLE":"Changes in mesenteric lymph lipid profile of mice upon high-fat diet with and without Celecoxib (part I)","STUDY_SUMMARY":"Untargeted lipid profiling of mesenteric mice lymph from mice fed with CHOW, HFD and HFD supplemented with COx-2 inhibitor drug Celecoxib. It is proposed that Celecoxib can protect from deleterious morphological changes in lymphatic system caused by obesity/HFD.","INSTITUTE":"Monash Institute of Pharmaceutical Sciences","DEPARTMENT":"Drug Delivery, Disposition and Dynamics","LABORATORY":"Trevaskis Lab, Creek Lab","LAST_NAME":"Anderson","FIRST_NAME":"Dovile","ADDRESS":"6 Anderson","EMAIL":"dovile.anderson@gmail.com","NUM_GROUPS":"3","TOTAL_SUBJECTS":"26","NUM_MALES":"26","PUBLICATIONS":"Manuscript NATMETAB-A20022406A Mesenteric lymphatic dysfunction promotes insulin resistance and represents a potential novel treatment target in obesity","STUDY_TYPE":"Untargeted lipidomics analysis","PHONE":"8671141"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","GENOTYPE_STRAIN":"C57BL6/J","AGE_OR_AGE_RANGE":"6-7 weeks","GENDER":"Male","ANIMAL_HOUSING":"temperature-controlled room under specific-pathogen free (SPF) or standard animal housing conditions with free access to food and water","ANIMAL_FEED":"semi-purified normal chow diet (control fat diet (CFD), 7% w/w fat and 16% total energy from fat; AIN93G, Specialty Feeds Pty Ltd, Australia) or high fat diet (HFD, 36% w/w fat and 59% total energy from fat; SF03-002, Specialty Feeds Pty Ltd, Australia)","ANIMAL_WATER":"ad libitum"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Celecoxib_HFD_1",
"Factors":{"Treatment":"Celecoxib_HFD"},
"Additional sample data":{"RAW_FILE_NAME":"Celecoxib_HFD_1"}
},
{
"Subject ID":"-",
"Sample ID":"Celecoxib_HFD_2",
"Factors":{"Treatment":"Celecoxib_HFD"},
"Additional sample data":{"RAW_FILE_NAME":"Celecoxib_HFD_2"}
},
{
"Subject ID":"-",
"Sample ID":"Celecoxib_HFD_3",
"Factors":{"Treatment":"Celecoxib_HFD"},
"Additional sample data":{"RAW_FILE_NAME":"Celecoxib_HFD_3"}
},
{
"Subject ID":"-",
"Sample ID":"Celecoxib_HFD_4",
"Factors":{"Treatment":"Celecoxib_HFD"},
"Additional sample data":{"RAW_FILE_NAME":"Celecoxib_HFD_4"}
},
{
"Subject ID":"-",
"Sample ID":"Celecoxib_HFD_5",
"Factors":{"Treatment":"Celecoxib_HFD"},
"Additional sample data":{"RAW_FILE_NAME":"Celecoxib_HFD_5"}
},
{
"Subject ID":"-",
"Sample ID":"Celecoxib_HFD_6",
"Factors":{"Treatment":"Celecoxib_HFD"},
"Additional sample data":{"RAW_FILE_NAME":"Celecoxib_HFD_6"}
},
{
"Subject ID":"-",
"Sample ID":"Celecoxib_HFD_7",
"Factors":{"Treatment":"Celecoxib_HFD"},
"Additional sample data":{"RAW_FILE_NAME":"Celecoxib_HFD_7"}
},
{
"Subject ID":"-",
"Sample ID":"Celecoxib_HFD_8",
"Factors":{"Treatment":"Celecoxib_HFD"},
"Additional sample data":{"RAW_FILE_NAME":"Celecoxib_HFD_8"}
},
{
"Subject ID":"-",
"Sample ID":"Celecoxib_HFD_9",
"Factors":{"Treatment":"Celecoxib_HFD"},
"Additional sample data":{"RAW_FILE_NAME":"Celecoxib_HFD_9"}
},
{
"Subject ID":"-",
"Sample ID":"CFD_1",
"Factors":{"Treatment":"CFD"},
"Additional sample data":{"RAW_FILE_NAME":"CFD_1"}
},
{
"Subject ID":"-",
"Sample ID":"CFD_2",
"Factors":{"Treatment":"CFD"},
"Additional sample data":{"RAW_FILE_NAME":"CFD_2"}
},
{
"Subject ID":"-",
"Sample ID":"CFD_3",
"Factors":{"Treatment":"CFD"},
"Additional sample data":{"RAW_FILE_NAME":"CFD_3"}
},
{
"Subject ID":"-",
"Sample ID":"CFD_4",
"Factors":{"Treatment":"CFD"},
"Additional sample data":{"RAW_FILE_NAME":"CFD_4"}
},
{
"Subject ID":"-",
"Sample ID":"CFD_5",
"Factors":{"Treatment":"CFD"},
"Additional sample data":{"RAW_FILE_NAME":"CFD_5"}
},
{
"Subject ID":"-",
"Sample ID":"CFD_6",
"Factors":{"Treatment":"CFD"},
"Additional sample data":{"RAW_FILE_NAME":"CFD_6"}
},
{
"Subject ID":"-",
"Sample ID":"CFD_7",
"Factors":{"Treatment":"CFD"},
"Additional sample data":{"RAW_FILE_NAME":"CFD_7"}
},
{
"Subject ID":"-",
"Sample ID":"CFD_8",
"Factors":{"Treatment":"CFD"},
"Additional sample data":{"RAW_FILE_NAME":"CFD_8"}
},
{
"Subject ID":"-",
"Sample ID":"HFD_1",
"Factors":{"Treatment":"HFD"},
"Additional sample data":{"RAW_FILE_NAME":"HFD_1"}
},
{
"Subject ID":"-",
"Sample ID":"HFD_2",
"Factors":{"Treatment":"HFD"},
"Additional sample data":{"RAW_FILE_NAME":"HFD_2"}
},
{
"Subject ID":"-",
"Sample ID":"HFD_3",
"Factors":{"Treatment":"HFD"},
"Additional sample data":{"RAW_FILE_NAME":"HFD_3"}
},
{
"Subject ID":"-",
"Sample ID":"HFD_4",
"Factors":{"Treatment":"HFD"},
"Additional sample data":{"RAW_FILE_NAME":"HFD_4"}
},
{
"Subject ID":"-",
"Sample ID":"HFD_5",
"Factors":{"Treatment":"HFD"},
"Additional sample data":{"RAW_FILE_NAME":"HFD_5"}
},
{
"Subject ID":"-",
"Sample ID":"HFD_6",
"Factors":{"Treatment":"HFD"},
"Additional sample data":{"RAW_FILE_NAME":"HFD_6"}
},
{
"Subject ID":"-",
"Sample ID":"HFD_7",
"Factors":{"Treatment":"HFD"},
"Additional sample data":{"RAW_FILE_NAME":"HFD_7"}
},
{
"Subject ID":"-",
"Sample ID":"HFD_8",
"Factors":{"Treatment":"HFD"},
"Additional sample data":{"RAW_FILE_NAME":"HFD_8"}
},
{
"Subject ID":"-",
"Sample ID":"HFD_9",
"Factors":{"Treatment":"HFD"},
"Additional sample data":{"RAW_FILE_NAME":"HFD_9"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"The efferent mesenteric lymphatic duct was cannulated in isoflurane anaesthetised non-fasted mice or rats and lymph fluid was collected for up to 4 h. For the lymphatic drug transport study, lymph was collected in mice that were fasted for 3-4 h. The mesenteric lymph duct cannulation was performed as described previously in rats4 and mice5 and mesenteric lymph fluid was collected continuously for up to 6 h.","SAMPLE_TYPE":"Mesenteric lymph","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Celecoxib was incorporated into HFD feed at a dose equivalent to ~29 mg/kg/day (based on average food intake). Mice were fed for 15 weeks before the analysis."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"For lipidomics analysis, lipid was extracted from mesenteric lymph by chloroform:methanol (1:3). Samples were vortexed for 1 h at 4°C and then centrifuged at 16,000 g for 10 min. Supernatant was carefully transferred to another tube and stored at -80°C until analysis. Before LC-MS analysis, the extract was dried with nitrogen and reconstituted in 20 µl water and 180 µl butanol-methanol (1:1 v/v). The reconstituted extract was vortexed (Vortex mixer, Ratek) for 200 sec with 20 cycles of 5 sec spin and 20 sec vortex. The extract was sonicated in a water bath for 1 hour which was maintained at <20°C by sonicating the samples on ice. The samples were then centrifuged for 10 min at 16,000 g and the supernatant was transferred to LC-MS vials and stored at 4°C prior to analysis.","PROCESSING_STORAGE_CONDITIONS":"4℃","EXTRACT_STORAGE":"-80℃"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Lipidomics analysis was performed using reversed phase liquid chromatography and high-resolution mass spectrometry. Samples (10 µl) were injected onto a Dionex Ultimate 3000 UHPLC system (Thermo Scientific, Australia) fitted with an analytical C8 column (100 x 2.1 mm; 2.7 µm, Sigma Aldrich, Australia). Chromatography was performed using solvent A (2 mM formic acid, 8 mM ammonium formate, 40% v/v isopropanol) and solvent B (2 mM formic acid, 8 mM ammonium formate, 98% v/v isopropanol) as mobile phases with a 30 min gradient starting at 0% B and increasing to 35% B from 0 to 8 min, then to 50% B from 8-16 min, then to 80% B from 16-19 min, then finally to 100% B by 23 min. 100% B was maintained for a further 3 min before equilibrating to 0% by 28 min and washing for a further 2 min.","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000 RS","COLUMN_NAME":"Sigma Aldrich, Supleco, C8, 100 x 2.1 mm; 2.7 µm","FLOW_GRADIENT":"0 min - 0%B, 8 min - 35%B, 16 min - 50%B, 19 min - 80%B, 23 min 100%B, 26 min - 100%B, 28 min - 0%B","FLOW_RATE":"0.2 ml/min","COLUMN_TEMPERATURE":"40C","SOLVENT_A":"2 mM formic acid, 8 mM ammonium formate, 40% v/v isopropanol","SOLVENT_B":"2 mM formic acid, 8 mM ammonium formate, 98% v/v isopropanol","INJECTION_TEMPERATURE":"4","ANALYTICAL_TIME":"30 min","OVEN_TEMPERATURE":"40C","SAMPLE_LOOP_SIZE":"25 uL","SAMPLE_SYRINGE_SIZE":"25 uL"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Creek Lab","DETECTOR_TYPE":"orbitrap","DATA_FORMAT":".RAW"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Pos and neg data were acquired during the same chromatographic run using polarity switching. Full scan acquisition mode, resolution 140k, AGC target 3e6, max IT 200 ms, mass range 140-2000 m/z, number of scans 1","MASS_ACCURACY":"3 ppm","AUTOMATIC_GAIN_CONTROL":"3e6","DESOLVATION_GAS_FLOW":"34","INTERFACE_VOLTAGE":"3.5 kV"},

"MS_METABOLITE_DATA":{
"Units":"height",

"Data":[{"Metabolite":"Proscillaridin A","Celecoxib_HFD_1":"0","Celecoxib_HFD_2":"0","Celecoxib_HFD_3":"0","Celecoxib_HFD_4":"0","Celecoxib_HFD_5":"1218643.375","Celecoxib_HFD_6":"1605575.5","Celecoxib_HFD_7":"0","Celecoxib_HFD_8":"0","Celecoxib_HFD_9":"0","CFD_1":"0","CFD_2":"0","CFD_3":"0","CFD_4":"0","CFD_5":"0","CFD_6":"0","CFD_7":"0","CFD_8":"0","HFD_1":"0","HFD_2":"0","HFD_3":"0","HFD_4":"0","HFD_5":"0","HFD_6":"1648385.375","HFD_7":"1906034.375","HFD_8":"1698790","HFD_9":"0"},{"Metabolite":"Decoside","Celecoxib_HFD_1":"4653.089355","Celecoxib_HFD_2":"0","Celecoxib_HFD_3":"0","Celecoxib_HFD_4":"0","Celecoxib_HFD_5":"576174.125","Celecoxib_HFD_6":"696415.375","Celecoxib_HFD_7":"0","Celecoxib_HFD_8":"0","Celecoxib_HFD_9":"0","CFD_1":"0","CFD_2":"0","CFD_3":"0","CFD_4":"0","CFD_5":"0","CFD_6":"0","CFD_7":"0","CFD_8":"0","HFD_1":"0","HFD_2":"0","HFD_3":"3845.104492","HFD_4":"0","HFD_5":"0","HFD_6":"650383.0625","HFD_7":"722586.5","HFD_8":"673433.5625","HFD_9":"0"},{"Metabolite":"PG(17:0/14:1)","Celecoxib_HFD_1":"486418.2188","Celecoxib_HFD_2":"545108","Celecoxib_HFD_3":"242442.2813","Celecoxib_HFD_4":"655485.0625","Celecoxib_HFD_5":"538956.6875","Celecoxib_HFD_6":"165867.2031","Celecoxib_HFD_7":"190761.8281","Celecoxib_HFD_8":"129583.5234","Celecoxib_HFD_9":"506793.1875","CFD_1":"0","CFD_2":"0","CFD_3":"0","CFD_4":"4080.83667","CFD_5":"0","CFD_6":"8321.0625","CFD_7":"0","CFD_8":"8025.714844","HFD_1":"469961.7188","HFD_2":"520981.75","HFD_3":"225472.75","HFD_4":"497895.375","HFD_5":"406356.625","HFD_6":"366645.3438","HFD_7":"105526.1953","HFD_8":"458981.9375","HFD_9":"162974.0938"},{"Metabolite":"CDP-DG(36:2)","Celecoxib_HFD_1":"145932.6406","Celecoxib_HFD_2":"79908.03906","Celecoxib_HFD_3":"102256.4844","Celecoxib_HFD_4":"127883.4297","Celecoxib_HFD_5":"50560.42578","Celecoxib_HFD_6":"12758.35059","Celecoxib_HFD_7":"83664.04688","Celecoxib_HFD_8":"20894.54688","Celecoxib_HFD_9":"160264.7813","CFD_1":"0","CFD_2":"0","CFD_3":"0","CFD_4":"0","CFD_5":"0","CFD_6":"0","CFD_7":"0","CFD_8":"0","HFD_1":"94986.34375","HFD_2":"95889.17188","HFD_3":"44122.29688","HFD_4":"98140.14844","HFD_5":"99742.82813","HFD_6":"48038.63672","HFD_7":"17680.35938","HFD_8":"126370.0156","HFD_9":"18766.20703"},{"Metabolite":"4Z_7Z_10Z_13Z_16Z_19Z_22Z_25Z-octacosaoctaenoic acid","Celecoxib_HFD_1":"0","Celecoxib_HFD_2":"0","Celecoxib_HFD_3":"0","Celecoxib_HFD_4":"0","Celecoxib_HFD_5":"185898.3281","Celecoxib_HFD_6":"233234.5156","Celecoxib_HFD_7":"0","Celecoxib_HFD_8":"0","Celecoxib_HFD_9":"0","CFD_1":"0","CFD_2":"0","CFD_3":"0","CFD_4":"0","CFD_5":"0","CFD_6":"0","CFD_7":"0","CFD_8":"0","HFD_1":"0","HFD_2":"0","HFD_3":"0","HFD_4":"0","HFD_5":"0","HFD_6":"182447.3438","HFD_7":"239515.7188","HFD_8":"187526.8906","HFD_9":"0"},{"Metabolite":"PE(30:1)","Celecoxib_HFD_1":"128629","Celecoxib_HFD_2":"64861.19922","Celecoxib_HFD_3":"69854.20313","Celecoxib_HFD_4":"139157.0469","Celecoxib_HFD_5":"73062.96094","Celecoxib_HFD_6":"20947.30664","Celecoxib_HFD_7":"41168.81641","Celecoxib_HFD_8":"23571.49023","Celecoxib_HFD_9":"137492.4219","CFD_1":"0","CFD_2":"0","CFD_3":"0","CFD_4":"0","CFD_5":"0","CFD_6":"0","CFD_7":"0","CFD_8":"0","HFD_1":"118324.3984","HFD_2":"77824.6875","HFD_3":"41458.74219","HFD_4":"67048.46875","HFD_5":"91438.96094","HFD_6":"70554.85156","HFD_7":"10685.95605","HFD_8":"90440.45313","HFD_9":"17544.16016"},{"Metabolite":"PE(30:0)","Celecoxib_HFD_1":"77321.33594","Celecoxib_HFD_2":"72908.48438","Celecoxib_HFD_3":"88476.35938","Celecoxib_HFD_4":"166723.9844","Celecoxib_HFD_5":"112492.8516","Celecoxib_HFD_6":"33004.08203","Celecoxib_HFD_7":"44161.62109","Celecoxib_HFD_8":"25274.71094","Celecoxib_HFD_9":"73370.46875","CFD_1":"0","CFD_2":"0","CFD_3":"0","CFD_4":"0","CFD_5":"0","CFD_6":"0","CFD_7":"0","CFD_8":"0","HFD_1":"97631.3125","HFD_2":"83695.53906","HFD_3":"36787.07031","HFD_4":"82595.42969","HFD_5":"85532.48438","HFD_6":"56749.86328","HFD_7":"20010.28125","HFD_8":"94378.05469","HFD_9":"19621.0918"},{"Metabolite":"1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5'- diphosphate","Celecoxib_HFD_1":"115060.8203","Celecoxib_HFD_2":"74917.19531","Celecoxib_HFD_3":"85358.625","Celecoxib_HFD_4":"117697.8047","Celecoxib_HFD_5":"52828.42969","Celecoxib_HFD_6":"14589.71973","Celecoxib_HFD_7":"64205.83594","Celecoxib_HFD_8":"21949.85156","Celecoxib_HFD_9":"122412.4375","CFD_1":"0","CFD_2":"0","CFD_3":"0","CFD_4":"0","CFD_5":"0","CFD_6":"0","CFD_7":"0","CFD_8":"0","HFD_1":"77392.82813","HFD_2":"103465.4531","HFD_3":"43146.60547","HFD_4":"89392.96875","HFD_5":"86248.80469","HFD_6":"37436.39453","HFD_7":"14232.08105","HFD_8":"98562.42969","HFD_9":"18278.11719"},{"Metabolite":"beta-Tocotrienol","Celecoxib_HFD_1":"8349.660156","Celecoxib_HFD_2":"9920.970703","Celecoxib_HFD_3":"4126.301758","Celecoxib_HFD_4":"4568.336426","Celecoxib_HFD_5":"524129.625","Celecoxib_HFD_6":"730722.8125","Celecoxib_HFD_7":"4702.053711","Celecoxib_HFD_8":"7762.132813","Celecoxib_HFD_9":"4293.887207","CFD_1":"3139.876709","CFD_2":"3916.42627","CFD_3":"8206.066406","CFD_4":"7586.541504","CFD_5":"4635.294434","CFD_6":"3914.270996","CFD_7":"0","CFD_8":"4646.092285","HFD_1":"0","HFD_2":"4053.786865","HFD_3":"8486.724609","HFD_4":"3246.994141","HFD_5":"3689.412598","HFD_6":"598523.125","HFD_7":"864511.75","HFD_8":"479623.375","HFD_9":"4294.236816"},{"Metabolite":"PE(36:0)","Celecoxib_HFD_1":"19065.39453","Celecoxib_HFD_2":"30634.64648","Celecoxib_HFD_3":"26390.78711","Celecoxib_HFD_4":"30861.57227","Celecoxib_HFD_5":"115985.4922","Celecoxib_HFD_6":"39855.99219","Celecoxib_HFD_7":"23615.90625","Celecoxib_HFD_8":"12207.94141","Celecoxib_HFD_9":"20315.04492","CFD_1":"0","CFD_2":"0","CFD_3":"0","CFD_4":"3475.952881","CFD_5":"0","CFD_6":"3708.408203","CFD_7":"0","CFD_8":"0","HFD_1":"37310.12891","HFD_2":"63091.96094","HFD_3":"22575.93359","HFD_4":"53510.76953","HFD_5":"34174.54688","HFD_6":"42526.16797","HFD_7":"8499.420898","HFD_8":"29539.14063","HFD_9":"31237.04297"},{"Metabolite":"[GL 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24-methylene-cholest-5-en-3beta-ol-3-sulfate","metabolite name":"[ST methy] 24-methylene-cholest-5-en-3beta-ol-3-sulfate","retention index":"8.623290521","quantified m/z":"477.304609","PubChem ID":"42607469","KEGG ID":"0"},{"Metabolite":"N-(2-hydroxy-tetracosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine","metabolite name":"N-(2-hydroxy-tetracosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine","retention index":"10.06016068","quantified m/z":"731.5698509","PubChem ID":"154573334","KEGG ID":"0"},{"Metabolite":"[FA oxo(16:2)] cyclopentanehexanoic acid","metabolite name":"[FA oxo(16:2)] cyclopentanehexanoic acid","retention index":"4.517020272","quantified m/z":"267.196678","PubChem ID":"5282793","KEGG ID":"0"},{"Metabolite":"[ST hydroxy(2:0)] (5Z_7E)-(1R_2R_3R)-2-(5-hydroxypentoxy)-9_10-seco-5_7_10(19)-cholestatriene-1_3-diol","metabolite name":"[ST hydroxy(2:0)] (5Z_7E)-(1R_2R_3R)-2-(5-hydroxypentoxy)-9_10-seco-5_7_10(19)-cholestatriene-1_3-diol","retention 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ID":"C00486"},{"Metabolite":"Cer(t18:0/h24:0)","metabolite name":"Cer 18:0;O3/24:0;O","retention index":"21.0431451","quantified m/z":"682.6364087","PubChem ID":"5280352","KEGG ID":"0"},{"Metabolite":"[FA (26:0)] hexacosanoic acid","metabolite name":"Cerotic acid","retention index":"18.82895497","quantified m/z":"395.3900493","PubChem ID":"52924468","KEGG ID":"0"},{"Metabolite":"Cholesterolsulfate","metabolite name":"Cholesterol sulfate","retention index":"8.881566695","quantified m/z":"465.304928","PubChem ID":"53481133","KEGG ID":"0"},{"Metabolite":"Citrate","metabolite name":"Citric acid","retention index":"10.72602294","quantified m/z":"191.0198062","PubChem ID":"52926263","KEGG ID":"C00158"},{"Metabolite":"Decoside","metabolite name":"Decoside","retention index":"7.961130608","quantified m/z":"545.2761226","PubChem ID":"441854","KEGG ID":"C08860"},{"Metabolite":"Docosahexaenoicacid","metabolite name":"Docosahexaenoic acid","retention index":"10.16407197","quantified m/z":"327.2330482","PubChem ID":"19782904","KEGG ID":"C06429"},{"Metabolite":"FA (22:5)","metabolite name":"Docosapentaenoic acid","retention index":"10.61388274","quantified m/z":"329.2490994","PubChem ID":"5283145","KEGG ID":"0"},{"Metabolite":"FA (22:1)","metabolite name":"Docosenoic acid","retention index":"13.73787572","quantified m/z":"337.3116377","PubChem ID":"10883396","KEGG ID":"C08316"},{"Metabolite":"FA (20:2)","metabolite name":"Eicosadienoic acid","retention index":"11.50037028","quantified m/z":"307.264742","PubChem ID":"","KEGG ID":"0"},{"Metabolite":"FA (20:4)","metabolite name":"Eicosatetraenoic acid","retention index":"10.24961485","quantified m/z":"303.2330074","PubChem ID":"5283893","KEGG ID":"C00219"},{"Metabolite":"FA (20:3)","metabolite name":"Eicosatrienoic acid","retention index":"10.76858054","quantified m/z":"305.2489398","PubChem ID":"52925023","KEGG ID":"0"},{"Metabolite":"N-(octadecanoyl)-1-beta-glucosyl-pentadecasphing-4-enine","metabolite name":"GlcCer 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}