{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003044","ANALYSIS_ID":"AN004993","VERSION":"1","CREATED_ON":"January 18, 2024, 8:26 am"},

"PROJECT":{"PROJECT_TITLE":"A High-Fat Eucaloric Diet Induces Reprometabolic Syndrome of Obesity in Normal Weight Women","PROJECT_SUMMARY":"Objective: We examined the effects of one month of a eucaloric, high-fat (48% of calories) diet (HFD) on gonadotropin secretion in normal weight women to interrogate the role of free fatty acids and insulin in mediating the relative hypogonadotropic hypogonadism of obesity. Methods: Eighteen eumenorrheic women (BMI 18-25 kg/m2) were studied in the early follicular phase of the menstrual cycle before and after exposure to a HFD with frequent blood sampling for LH and FSH, followed by an assessment of pituitary sensitivity to GnRH. Mass spectrometrybased plasma metabolomic analysis was also performed. Paired testing and time series analysis were performed as appropriate. Results: Mean endogenous LH (unstimulated) was significantly decreased after the HFD (4.3 ±1.0 vs 3.8 ± 1.0, P<0.01); mean unstimulated FSH was not changed. Both LH (10.1 ± 1.0 vs 7.2 ± 1.0, P<0.01), and FSH (9.5 ± 1.0 vs 8.8 ± 1.0, P<0.01) response to 75 ng/kg of GnRH were reduced after the HFD. Mean LH pulse amplitude and LH interpulse interval were unaffected by the dietary exposure. Eucaloric HFD exposure did not cause weight change. Plasma metabolomics confirmed adherence with elevation of fasting free fatty acids (especially long-chain mono-, poly- and highly-unsaturated fatty acids) by the last day of the HFD. Conclusion: One-month exposure to a HFD successfully induced key reproductive and metabolic features of Reprometabolic Syndrome in normal weight women. Dietary factors may underly the gonadotrope compromise seen in obesity related subfertility and that therapeutic dietary interventions, independent of weight loss, may be possible.","INSTITUTE":"University of Colorado Denver","LABORATORY":"Lab of Angelo D''Alessandro in collaboration with lab of Nanette Santoro","LAST_NAME":"Haines","FIRST_NAME":"Julie","ADDRESS":"12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA","EMAIL":"julie.haines@cuanschutz.edu","PHONE":"3037243339"},

"STUDY":{"STUDY_TITLE":"A High-Fat Eucaloric Diet Induces Reprometabolic Syndrome of Obesity in Normal Weight Women - lipidomics","STUDY_SUMMARY":"Lipidomics analysis was performed on plasma from human female subjects before, during, and after a high fat diet.","INSTITUTE":"University of Colorado Denver","LAST_NAME":"Haines","FIRST_NAME":"Julie","ADDRESS":"12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA","EMAIL":"julie.haines@cuanschutz.edu","PHONE":"3037243339"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"203",
"Sample ID":"DS1-28-02",
"Factors":{"Factor":"On-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-02"}
},
{
"Subject ID":"205",
"Sample ID":"DS1-28-05",
"Factors":{"Factor":"On-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-05"}
},
{
"Subject ID":"213",
"Sample ID":"DS1-28-08",
"Factors":{"Factor":"On-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-08"}
},
{
"Subject ID":"215",
"Sample ID":"DS1-28-11",
"Factors":{"Factor":"On-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-11"}
},
{
"Subject ID":"216",
"Sample ID":"DS1-28-14",
"Factors":{"Factor":"On-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-14"}
},
{
"Subject ID":"221",
"Sample ID":"DS1-28-17",
"Factors":{"Factor":"On-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-17"}
},
{
"Subject ID":"226",
"Sample ID":"DS1-28-20",
"Factors":{"Factor":"On-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-20"}
},
{
"Subject ID":"233",
"Sample ID":"DS1-28-26",
"Factors":{"Factor":"On-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-26"}
},
{
"Subject ID":"235",
"Sample ID":"DS1-28-29",
"Factors":{"Factor":"On-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-29"}
},
{
"Subject ID":"246",
"Sample ID":"DS1-28-35",
"Factors":{"Factor":"On-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-35"}
},
{
"Subject ID":"247",
"Sample ID":"DS1-28-38",
"Factors":{"Factor":"On-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-38"}
},
{
"Subject ID":"252",
"Sample ID":"DS1-28-43",
"Factors":{"Factor":"On-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-43"}
},
{
"Subject ID":"258",
"Sample ID":"DS1-28-46",
"Factors":{"Factor":"On-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-46"}
},
{
"Subject ID":"253",
"Sample ID":"DS1-28-49",
"Factors":{"Factor":"On-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-49"}
},
{
"Subject ID":"250",
"Sample ID":"DS1-28-41",
"Factors":{"Factor":"On-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-41"}
},
{
"Subject ID":"260",
"Sample ID":"DS1-28-52",
"Factors":{"Factor":"On-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-52"}
},
{
"Subject ID":"263",
"Sample ID":"DS1-28-54",
"Factors":{"Factor":"On-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-54"}
},
{
"Subject ID":"264",
"Sample ID":"DS1-28-56",
"Factors":{"Factor":"On-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-56"}
},
{
"Subject ID":"203",
"Sample ID":"DS1-28-03",
"Factors":{"Factor":"Post-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-03"}
},
{
"Subject ID":"205",
"Sample ID":"DS1-28-06",
"Factors":{"Factor":"Post-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-06"}
},
{
"Subject ID":"213",
"Sample ID":"DS1-28-09",
"Factors":{"Factor":"Post-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-09"}
},
{
"Subject ID":"215",
"Sample ID":"DS1-28-12",
"Factors":{"Factor":"Post-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-12"}
},
{
"Subject ID":"216",
"Sample ID":"DS1-28-15",
"Factors":{"Factor":"Post-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-15"}
},
{
"Subject ID":"221",
"Sample ID":"DS1-28-18",
"Factors":{"Factor":"Post-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-18"}
},
{
"Subject ID":"226",
"Sample ID":"DS1-28-21",
"Factors":{"Factor":"Post-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-21"}
},
{
"Subject ID":"233",
"Sample ID":"DS1-28-27",
"Factors":{"Factor":"Post-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-27"}
},
{
"Subject ID":"235",
"Sample ID":"DS1-28-30",
"Factors":{"Factor":"Post-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-30"}
},
{
"Subject ID":"246",
"Sample ID":"DS1-28-36",
"Factors":{"Factor":"Post-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-36"}
},
{
"Subject ID":"247",
"Sample ID":"DS1-28-39",
"Factors":{"Factor":"Post-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-39"}
},
{
"Subject ID":"252",
"Sample ID":"DS1-28-44",
"Factors":{"Factor":"Post-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-44"}
},
{
"Subject ID":"258",
"Sample ID":"DS1-28-47",
"Factors":{"Factor":"Post-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-47"}
},
{
"Subject ID":"253",
"Sample ID":"DS1-28-50",
"Factors":{"Factor":"Post-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-50"}
},
{
"Subject ID":"203",
"Sample ID":"DS1-28-01",
"Factors":{"Factor":"Pre-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-01"}
},
{
"Subject ID":"205",
"Sample ID":"DS1-28-04",
"Factors":{"Factor":"Pre-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-04"}
},
{
"Subject ID":"213",
"Sample ID":"DS1-28-07",
"Factors":{"Factor":"Pre-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-07"}
},
{
"Subject ID":"215",
"Sample ID":"DS1-28-10",
"Factors":{"Factor":"Pre-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-10"}
},
{
"Subject ID":"216",
"Sample ID":"DS1-28-13",
"Factors":{"Factor":"Pre-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-13"}
},
{
"Subject ID":"221",
"Sample ID":"DS1-28-16",
"Factors":{"Factor":"Pre-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-16"}
},
{
"Subject ID":"226",
"Sample ID":"DS1-28-19",
"Factors":{"Factor":"Pre-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-19"}
},
{
"Subject ID":"233",
"Sample ID":"DS1-28-25",
"Factors":{"Factor":"Pre-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-25"}
},
{
"Subject ID":"235",
"Sample ID":"DS1-28-28",
"Factors":{"Factor":"Pre-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-28"}
},
{
"Subject ID":"246",
"Sample ID":"DS1-28-34",
"Factors":{"Factor":"Pre-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-34"}
},
{
"Subject ID":"247",
"Sample ID":"DS1-28-37",
"Factors":{"Factor":"Pre-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-37"}
},
{
"Subject ID":"252",
"Sample ID":"DS1-28-42",
"Factors":{"Factor":"Pre-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-42"}
},
{
"Subject ID":"258",
"Sample ID":"DS1-28-45",
"Factors":{"Factor":"Pre-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-45"}
},
{
"Subject ID":"253",
"Sample ID":"DS1-28-48",
"Factors":{"Factor":"Pre-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-48"}
},
{
"Subject ID":"250",
"Sample ID":"DS1-28-40",
"Factors":{"Factor":"Pre-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-40"}
},
{
"Subject ID":"260",
"Sample ID":"DS1-28-51",
"Factors":{"Factor":"Pre-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-51"}
},
{
"Subject ID":"263",
"Sample ID":"DS1-28-53",
"Factors":{"Factor":"Pre-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-53"}
},
{
"Subject ID":"264",
"Sample ID":"DS1-28-55",
"Factors":{"Factor":"Pre-diet"},
"Additional sample data":{"RAW_FILE_NAME":"DS1-28-55"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Blood samples were collected from consented study subjects and plasma isolated according to standard clinical laboratory protocols.","SAMPLE_TYPE":"Blood (plasma)"},

"TREATMENT":{"TREATMENT_SUMMARY":"This study was a clinical trial (NCT02653092) and was approved by the Colorado Multiple Institutional Review Board (COMIRB). All participants provided informed consent. Women aged 18-38 with menstrual cycles 25-35 days in length and no use of reproductive hormones within 3 months of enrollment were eligible for the study. Additional eligibility criteria included: a) no history of chronic disease affecting hormone production, metabolism, or clearance and no use of medications known to interact with reproductive hormones or insulin metabolism; b) normal screening prolactin and TSH; c) normal hemoglobin A1c; d) hemoglobin > 11 g/dl at screening; e) use of reliable non-hormonal contraception throughout the study period. Because the goal was to investigate the effects of a high-fat diet, women with a baseline dietary assessment indicative of >40% calories from fat were excluded, as were women who were unable to comply with the protocol, which involved eating only foods provided by the Colorado Clinical and Translational Sciences Institute’s (CCTSI) Nutrition Services. Because of the restrictions on their ability to consume animal or dairy fats, vegans and lactose intolerant individuals were excluded. Cycle 1 was a baseline cycle; Cycle 2 entailed consumption of the high-fat diet which was continued until frequent blood sampling was completed in the early follicular phase of Cycle 3. Cycle 3 was the immediate post-high-fat-diet cycle and Cycle 4 was a recovery cycle. Participants underwent baseline and end-of-diet assessments of gonadotropin dynamics. A 6-hour frequent blood sampling study was performed to determine endogenous LH and FSH secretion (Time 0-240 minutes) and concluded with a physiologic bolus of 75 ng/kg GnRH to assess pituitary responsiveness (Time 240-360 minutes). Frequent sampling studies for gonadotropin determination were all performed in the early follicular phase of the menstrual cycle (cycle days 2-5). Participants were also seen weekly during the high-fat diet cycle and had a blood draw to assess compliance. High-fat diet protocol. Participants completed a food preference screening survey and a 3-day diet diary, which estimated their daily caloric intake and approximate proportion of daily calories derived from fat. Participants were provided with a customized eucaloric high-fat diet comprised of approximately 48% calories from fat, 33% calories from carbohydrates and 19% calories from protein. Food was portioned into individual meals with snacks and boxed into 3-4 days’ worth at a time. Participants picked up food directly from the Clinical and Translational Research Center; when this was not possible, study staff delivered food to the participant. Urinary ketones were measured at each frequent blood sampling session (Siemens Healthineers, Malvern, PA). During administration of the high-fat diet, blood samples were drawn weekly for metabolomic analysis to determine compliance with the protocol."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Lipids from 10 uL of plasma were extracted with 90 uL of cold methanol. Samples were briefly vortexed at room temp then incubated at -20 C for 30 min. Supernatants were clarified by centrifugation (10 min, 10,000 g, 4 degrees C) and transferred to autosampler vials.","PROCESSING_STORAGE_CONDITIONS":"4℃","EXTRACT_STORAGE":"-80℃"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Negative C18","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Phenomenex Kinetex C18 (30 x 2.1mm,1.7um)","SOLVENT_A":"75% water/25% acetonitrile; 5 mM ammonium acetate","SOLVENT_B":"90% isopropanol/10% acetonitrile; 5 mM ammonium acetate","FLOW_GRADIENT":"0-3 min 10-95% B at 0.3 mL/min, 3-4.2 min hold at 95% B at 0.3 mL/min, 4.2-4.3 min drop to 10% B at 0.45 mL/min, 4.3-4.9 min hold at 10%B while lowering flow rate to 0.4 mL/min, 4.9-5 min hold at 10%B while lowering flow rate to 0.3 mL/min.","FLOW_RATE":"0.3-0.4 ml/min","COLUMN_TEMPERATURE":"45","SAMPLE_INJECTION":"10 uL"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"The Q Exactive was run independently in positive and negative ion mode, scanning using full MS from 125-1500 m/z at 70,000 resolution and top 10 data-dependent MS2 at 17,500 resolution. Electrospray ionization was achieved with 45 Arb sheath gas, 25 Arb auxiliary gas, and 4 kV spray voltage. Calibration was performed prior to the run using the PierceTM Positive and Negative Ion Calibration Solutions (Thermo Fisher Scientific). Run order of samples was randomized and technical replicates were injected after every 4 samples to assess quality control."},

"MS_METABOLITE_DATA":{
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acetate","Formula":"C22 H32 O2","parent":"328.24005","medRt":"2.469"},{"Metabolite":"rapanone","Formula":"C19 H30 O4","parent":"322.21763","medRt":"2.363"},{"Metabolite":"PS(36:0e)","Formula":"C42 H84 N O9 P","parent":"777.58971","medRt":"3.497"},{"Metabolite":"PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Formula":"C46 H76 N O10 P","parent":"833.51851","medRt":"3.273"},{"Metabolite":"PS(18:0_20:4)","Formula":"C44 H78 N O10 P","parent":"811.53628","medRt":"3.273"},{"Metabolite":"protectin D1","Formula":"C22 H32 O4","parent":"360.22733","medRt":"2.393"},{"Metabolite":"Pregnenolone sulfate","Formula":"C21 H32 O5 S","parent":"396.19712","medRt":"1.056"},{"Metabolite":"praecanson A","Formula":"C23 H24 O5","parent":"380.16513","medRt":"2.555"},{"Metabolite":"plastochromanol 8","Formula":"C53 H82 O2","parent":"750.63233","medRt":"3.874"},{"Metabolite":"Picrotoxinin","Formula":"C15 H16 O6","parent":"292.09061","medRt":"0.339"},{"Metabolite":"PI(18:1_20:4)","Formula":"C47 H81 O13 P","parent":"884.54234","medRt":"3.181"},{"Metabolite":"PI(18:1_18:1)","Formula":"C45 H83 O13 P","parent":"862.55705","medRt":"3.264"},{"Metabolite":"PI(18:0_22:6)","Formula":"C49 H83 O13 P","parent":"910.55727","medRt":"3.245"},{"Metabolite":"PI(18:0_22:4)","Formula":"C49 H87 O13 P","parent":"914.58786","medRt":"3.353"},{"Metabolite":"PI(18:0_20:4)","Formula":"C47 H83 O13 P","parent":"886.5569","medRt":"3.262"},{"Metabolite":"PI(16:0_22:6)","Formula":"C47 H79 O13 P","parent":"882.5266","medRt":"3.179"},{"Metabolite":"PI(16:0_20:4)","Formula":"C45 H79 O13 P","parent":"858.52624","medRt":"3.156"},{"Metabolite":"PI(16:0_18:2)","Formula":"C43 H79 O13 P","parent":"834.52646","medRt":"3.158"},{"Metabolite":"PI(16:0_18:1)","Formula":"C43 H81 O13 P","parent":"836.54177","medRt":"3.233"},{"Metabolite":"Phosphatidylserine","Formula":"C42 H82 N O10 P","parent":"791.56826","medRt":"3.352"},{"Metabolite":"PGB2","Formula":"C20 H30 O4","parent":"334.21462","medRt":"0.709"},{"Metabolite":"PE(42:7e)","Formula":"C47 H82 N O7 P","parent":"803.58144","medRt":"3.614"},{"Metabolite":"PE(38:3e)","Formula":"C43 H82 N O7 P","parent":"755.58261","medRt":"3.638"},{"Metabolite":"PE(18:3e_22:6)","Formula":"C45 H74 N O7 P","parent":"771.5197","medRt":"3.382"},{"Metabolite":"PE(18:1e_22:6)","Formula":"C45 H78 N O7 P","parent":"775.55153","medRt":"3.533"},{"Metabolite":"PE(18:1e_22:4)","Formula":"C45 H82 N O7 P","parent":"779.57122","medRt":"3.599"},{"Metabolite":"PE(18:1e_20:4)","Formula":"C43 H78 N O7 P","parent":"751.5513","medRt":"3.548"},{"Metabolite":"PE(18:1e_18:2)","Formula":"C41 H78 N O7 P","parent":"727.55148","medRt":"3.56"},{"Metabolite":"PE(18:1e_18:1)","Formula":"C41 H80 N O7 P","parent":"729.56721","medRt":"3.619"},{"Metabolite":"PE(18:0_22:5)","Formula":"C45 H80 N O8 P","parent":"793.56177","medRt":"3.526"},{"Metabolite":"PE(16:1e_20:4)","Formula":"C41 H74 N O7 P","parent":"723.52007","medRt":"3.461"},{"Metabolite":"PE(16:1e_18:2)","Formula":"C39 H74 N O7 P","parent":"699.52","medRt":"3.469"},{"Metabolite":"PE(16:0_22:6)","Formula":"C43 H74 N O8 P","parent":"763.51496","medRt":"3.383"},{"Metabolite":"PE(16:0_20:4)","Formula":"C41 H74 N O8 P","parent":"739.51517","medRt":"3.403"},{"Metabolite":"PE(16:0_18:2)","Formula":"C39 H74 N O8 P","parent":"715.51513","medRt":"3.411"},{"Metabolite":"PE(16:0_18:1)","Formula":"C39 H76 N O8 P","parent":"717.53057","medRt":"3.461"},{"Metabolite":"pC-HSL","Formula":"C13 H13 N O4","parent":"247.08199","medRt":"0.42"},{"Metabolite":"PC(o-22:2(13Z,16Z)/22:3(10Z,13Z,16Z))","Formula":"C52 H96 N O7 P","parent":"877.68927","medRt":"3.703"},{"Metabolite":"PC(20:1e_20:4)","Formula":"C48 H88 N O7 P","parent":"821.62481","medRt":"3.605"},{"Metabolite":"PC(20:0e_20:4)","Formula":"C48 H90 N O7 P","parent":"823.64358","medRt":"3.618"},{"Metabolite":"PC(18:0e_20:4)","Formula":"C46 H86 N O7 P","parent":"795.6135","medRt":"3.537"},{"Metabolite":"PC(18:0_16:0)","Formula":"C42 H84 N O8 P","parent":"761.59328","medRt":"3.329"},{"Metabolite":"PC(17:0_20:4)","Formula":"C45 H82 N O8 P","parent":"795.58053","medRt":"3.562"},{"Metabolite":"PC(16:1e_20:4)","Formula":"C44 H80 N O7 P","parent":"765.55876","medRt":"3.331"},{"Metabolite":"PC(16:1e_18:2)","Formula":"C42 H80 N O7 P","parent":"741.56782","medRt":"3.567"},{"Metabolite":"PC(16:0e_20:4)","Formula":"C44 H82 N O7 P","parent":"767.57857","medRt":"3.485"},{"Metabolite":"PC(16:0_18:2)","Formula":"C42 H80 N O8 P","parent":"757.56198","medRt":"3.382"},{"Metabolite":"PC(16:0_18:1)","Formula":"C42 H82 N O8 P","parent":"759.58573","medRt":"3.383"},{"Metabolite":"PC(16:0_17:0)","Formula":"C41 H82 N O8 P","parent":"747.56893","medRt":"3.558"},{"Metabolite":"PC(15:0_22:6)","Formula":"C45 H78 N O8 P","parent":"791.54647","medRt":"3.477"},{"Metabolite":"PC(15:0_20:4)","Formula":"C43 H78 N O8 P","parent":"767.54618","medRt":"3.454"},{"Metabolite":"PC(15:0_18:2)","Formula":"C41 H78 N O8 P","parent":"743.54643","medRt":"3.55"},{"Metabolite":"PC(15:0_18:1)","Formula":"C41 H80 N O8 P","parent":"745.56209","medRt":"3.551"},{"Metabolite":"PC(14:0_20:4)","Formula":"C42 H76 N O8 P","parent":"753.53104","medRt":"3.403"},{"Metabolite":"Palmitelaidic acid","Formula":"C16 H30 O2","parent":"254.22425","medRt":"2.464"},{"Metabolite":"PA(16:0_18:2)","Formula":"C37 H69 O8 P","parent":"672.47284","medRt":"3.38"},{"Metabolite":"Oxocamphor","Formula":"C10 H14 O2","parent":"166.09842","medRt":"0.555"},{"Metabolite":"Oleic acid","Formula":"C18 H34 O2","parent":"282.25552","medRt":"2.726"},{"Metabolite":"Octadecanedioic acid","Formula":"C18 H34 O4","parent":"314.24597","medRt":"1.658"},{"Metabolite":"oceanalin A","Formula":"C41 H72 N2 O9","parent":"736.52903","medRt":"3.229"},{"Metabolite":"OAHFA(38:6)","Formula":"C38 H62 O4","parent":"582.46202","medRt":"2.555"},{"Metabolite":"OAHFA(38:4)","Formula":"C38 H66 O4","parent":"586.49348","medRt":"2.726"},{"Metabolite":"OAHFA(36:3)","Formula":"C36 H64 O4","parent":"560.48097","medRt":"3.129"},{"Metabolite":"O-{Hydroxy[2-(nonadecanoyloxy)-3-(stearoyloxy)propoxy]phosphoryl}-L-serine","Formula":"C43 H84 N O10 P","parent":"805.58295","medRt":"3.44"},{"Metabolite":"O-{Hydroxy[(2R)-3-(icosyloxy)-2-(tetradecanoyloxy)propoxy]phosphoryl}-L-serine","Formula":"C40 H80 N O9 P","parent":"749.55556","medRt":"3.736"},{"Metabolite":"O-{Hydroxy[(2R)-3-(icosyloxy)-2-(stearoyloxy)propoxy]phosphoryl}-L-serine","Formula":"C44 H88 N O9 P","parent":"805.62007","medRt":"2.722"},{"Metabolite":"O-{Hydroxy[(2R)-2-hydroxy-3-{[(16Z)-2-methoxy-16-tricosen-1-yl]oxy}propoxy]phosphoryl}-L-serine","Formula":"C30 H60 N O9 P","parent":"609.40035","medRt":"2.659"},{"Metabolite":"O-{Hydroxy[(2R)-2-hydroxy-3-(icosyloxy)propoxy]phosphoryl}-L-serine","Formula":"C26 H54 N O8 P","parent":"539.35867","medRt":"2.49"},{"Metabolite":"O-{Hydroxy[(2R)-2-hydroxy-3-(icosanoyloxy)propoxy]phosphoryl}-L-serine","Formula":"C26 H52 N O9 P","parent":"553.33849","medRt":"2.192"},{"Metabolite":"O-{Hydroxy[(2R)-2-[(9Z)-9-octadecenoyloxy]-3-(stearoyloxy)propoxy]phosphoryl}-L-threonine","Formula":"C43 H82 N O10 P","parent":"803.5677","medRt":"3.615"},{"Metabolite":"O-{Hydroxy[(2R)-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]-3-(octadecyloxy)propoxy]phosphoryl}-L-serine","Formula":"C44 H82 N O9 P","parent":"799.57112","medRt":"3.347"},{"Metabolite":"O-{Hydroxy[(2R)-2-(icosanoyloxy)-3-(stearoyloxy)propoxy]phosphoryl}-L-serine","Formula":"C44 H86 N O10 P","parent":"819.59868","medRt":"3.452"},{"Metabolite":"O-{Hydroxy[(2R)-2-(icosanoyloxy)-3-(icosyloxy)propoxy]phosphoryl}-L-serine","Formula":"C46 H92 N O9 P","parent":"833.65051","medRt":"3.665"},{"Metabolite":"O-{[(2R)-3-(Docosanoyloxy)-2-hydroxypropoxy](hydroxy)phosphoryl}-L-serine","Formula":"C28 H56 N O9 P","parent":"581.3693","medRt":"2.444"},{"Metabolite":"O-{[(2R)-2-[(9Z)-9-Heptadecenoyloxy]-3-(hexadecyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C39 H76 N O9 P","parent":"733.51709","medRt":"3.384"},{"Metabolite":"O-{[(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-(octadecyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C46 H84 N O9 P","parent":"825.58842","medRt":"3.529"},{"Metabolite":"O-{[(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-(nonadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C47 H84 N O10 P","parent":"853.58203","medRt":"3.36"},{"Metabolite":"O-{[(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-(icosyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C48 H88 N O9 P","parent":"853.61907","medRt":"3.463"},{"Metabolite":"O-{[(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-(heptadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C45 H80 N O10 P","parent":"825.55218","medRt":"3.306"},{"Metabolite":"O-{[(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-(henicosanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C49 H88 N O10 P","parent":"881.6125","medRt":"3.45"},{"Metabolite":"O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(octadecyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C46 H80 N O9 P","parent":"821.5592","medRt":"3.388"},{"Metabolite":"O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(icosyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C48 H84 N O9 P","parent":"849.58951","medRt":"3.422"},{"Metabolite":"O-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(docosanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C50 H86 N O10 P","parent":"891.59844","medRt":"3.372"},{"Metabolite":"O-{[(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-(stearoyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C46 H86 N O10 P","parent":"843.59683","medRt":"3.413"},{"Metabolite":"O-{[(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-(palmitoyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C44 H82 N O10 P","parent":"815.56768","medRt":"3.306"},{"Metabolite":"O-{[(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-(hexadecyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C44 H84 N O9 P","parent":"801.58837","medRt":"3.437"},{"Metabolite":"O-{[(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-(docosanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C50 H94 N O10 P","parent":"899.6587","medRt":"3.545"},{"Metabolite":"O-{[(2R)-2-[(11Z)-11-Docosenoyloxy]-3-(nonadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C47 H90 N O10 P","parent":"859.63033","medRt":"3.525"},{"Metabolite":"O-{[(2R)-2,3-Bis(docosanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C50 H98 N O10 P","parent":"903.70532","medRt":"3.71"},{"Metabolite":"O-{[(2R)-2-(Henicosanoyloxy)-3-(icosyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C47 H94 N O9 P","parent":"847.66925","medRt":"3.702"},{"Metabolite":"O-{[(2R)-2-(Docosanoyloxy)-3-(stearoyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C46 H90 N O10 P","parent":"847.62971","medRt":"3.542"},{"Metabolite":"O-{[(2R)-2-(Docosanoyloxy)-3-(icosanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C48 H94 N O10 P","parent":"875.67163","medRt":"3.632"},{"Metabolite":"O-{[(2R)-2-(Docosanoyloxy)-3-(heptadecanoyloxy)propoxy](hydroxy)phosphoryl}-L-serine","Formula":"C45 H88 N O10 P","parent":"833.61469","medRt":"3.502"},{"Metabolite":"O-[{(2R)-3-[(13Z,16Z)-13,16-Docosadienoyloxy]-2-hydroxypropoxy}(hydroxy)phosphoryl]-L-serine","Formula":"C28 H52 N O9 P","parent":"577.33809","medRt":"2.125"},{"Metabolite":"O-[{(2R)-3-(Hexadecyloxy)-2-[(11Z)-11-icosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine","Formula":"C42 H82 N O9 P","parent":"775.57259","medRt":"2.554"},{"Metabolite":"O-[{(2R)-3-(Docosanoyloxy)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine","Formula":"C50 H90 N O10 P","parent":"895.62955","medRt":"3.498"},{"Metabolite":"O-[{(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(1Z)-1-icosen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serine","Formula":"C48 H86 N O9 P","parent":"851.60386","medRt":"3.434"},{"Metabolite":"O-[{(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(11Z)-11-docosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine","Formula":"C50 H88 N O10 P","parent":"893.61345","medRt":"3.21"},{"Metabolite":"O-[{(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-[(11Z)-11-icosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine","Formula":"C48 H80 N O10 P","parent":"861.54469","medRt":"3.184"},{"Metabolite":"O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine","Formula":"C46 H84 N O10 P","parent":"841.58272","medRt":"3.412"},{"Metabolite":"O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(9Z)-9-nonadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine","Formula":"C47 H86 N O10 P","parent":"855.59872","medRt":"3.425"},{"Metabolite":"O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(9Z)-9-heptadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine","Formula":"C45 H82 N O10 P","parent":"827.56755","medRt":"3.375"},{"Metabolite":"O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(1Z)-1-icosen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serine","Formula":"C48 H90 N O9 P","parent":"855.63483","medRt":"3.538"},{"Metabolite":"O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(11Z)-11-icosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine","Formula":"C48 H88 N O10 P","parent":"869.61402","medRt":"3.475"},{"Metabolite":"O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(11Z)-11-docosenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine","Formula":"C50 H92 N O10 P","parent":"897.64493","medRt":"3.538"},{"Metabolite":"O-[{(2R)-2-(Docosanoyloxy)-3-[(9Z)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine","Formula":"C44 H84 N O10 P","parent":"817.58316","medRt":"3.383"},{"Metabolite":"O-(Hydroxy{(2R)-3-(icosyloxy)-2-[(9Z)-9-nonadecenoyloxy]propoxy}phosphoryl)-L-serine","Formula":"C45 H88 N O9 P","parent":"817.62038","medRt":"3.629"},{"Metabolite":"O-(Hydroxy{(2R)-2-hydroxy-3-[(2-methoxytricosyl)oxy]propoxy}phosphoryl)-L-serine","Formula":"C30 H62 N O9 P","parent":"611.41608","medRt":"2.834"},{"Metabolite":"O-(Hydroxy{(2R)-2-hydroxy-3-[(2-methoxyhenicosyl)oxy]propoxy}phosphoryl)-L-serine","Formula":"C28 H58 N O9 P","parent":"583.3846","medRt":"2.626"},{"Metabolite":"Nutriacholic acid","Formula":"C24 H38 O4","parent":"390.27717","medRt":"2.126"},{"Metabolite":"N-tetracosanoylsphinganine","Formula":"C42 H85 N O3","parent":"651.64378","medRt":"3.807"},{"Metabolite":"N-hexacosanoylphytosphingosine","Formula":"C44 H89 N O4","parent":"695.67958","medRt":"3.858"},{"Metabolite":"N-3-oxo-pentanoyl-L-Homoserine lactone","Formula":"C9 H13 N O4","parent":"199.08228","medRt":"0.409"},{"Metabolite":"N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl]-L-tyrosine","Formula":"C33 H49 N O7","parent":"571.34863","medRt":"2.192"},{"Metabolite":"N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl]-L-phenylalanine","Formula":"C33 H49 N O6","parent":"555.35299","medRt":"2.341"},{"Metabolite":"N-[(2S,3R,4E,6R)-1,3,6-Trihydroxy-4-octadecen-2-yl]pentacosanamide","Formula":"C43 H85 N O4","parent":"679.64834","medRt":"3.759"},{"Metabolite":"N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadecadien-2-yl]-2-hydroxytetracosanamide","Formula":"C42 H81 N O4","parent":"663.61669","medRt":"3.714"},{"Metabolite":"N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadecadien-2-yl]-2-hydroxyhexacosanamide","Formula":"C44 H85 N O4","parent":"691.64838","medRt":"3.775"},{"Metabolite":"N-[(2S,3R,4E)-1,3-Dihydroxy-4-tetradecen-2-yl]-2-hydroxyhexacosanamide","Formula":"C40 H79 N O4","parent":"637.60099","medRt":"3.694"},{"Metabolite":"N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadecen-2-yl]-26-hydroxyhexacosanamide","Formula":"C44 H87 N O4","parent":"693.66412","medRt":"3.784"},{"Metabolite":"N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-2-hydroxypentacosanamide","Formula":"C43 H87 N O4","parent":"681.66353","medRt":"3.83"},{"Metabolite":"N-[(13Z)-docosenoyl]-tetradecasphing-4-enine-1-phosphoethanolamine","Formula":"C38 H75 N2 O6 P","parent":"686.53667","medRt":"3.27"},{"Metabolite":"N-(-Ketocaproyl)-L-homoserine lactone","Formula":"C10 H15 N O4","parent":"213.09727","medRt":"0.418"},{"Metabolite":"N-(icosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine","Formula":"C36 H73 N2 O6 P","parent":"660.52064","medRt":"3.366"},{"Metabolite":"N-(2-hydroxyhexacosanyl)-(4R)-phytosphingosine","Formula":"C44 H89 N O5","parent":"711.66653","medRt":"3.802"},{"Metabolite":"Myrmicacin","Formula":"C10 H20 O3","parent":"188.14043","medRt":"0.644"},{"Metabolite":"Myristoleic acid","Formula":"C14 H26 O2","parent":"226.1929","medRt":"2.145"},{"Metabolite":"MFCD09743632","Formula":"C26 H46 O2","parent":"390.34968","medRt":"3.216"},{"Metabolite":"MFCD05864120","Formula":"C22 H30 O3","parent":"342.21952","medRt":"2.175"},{"Metabolite":"MFCD00270077","Formula":"C18 H38 N O5 P","parent":"379.24877","medRt":"2.182"},{"Metabolite":"MFCD00059633","Formula":"C14 H28 O3","parent":"244.20368","medRt":"1.763"},{"Metabolite":"MFCD00010474","Formula":"C27 H44 O2","parent":"400.33375","medRt":"2.305"},{"Metabolite":"Methyl undec-10-enoate","Formula":"C12 H22 O2","parent":"198.16135","medRt":"1.688"},{"Metabolite":"Methyl 8-[(2S,4S,5S,6R)-6-[(1Z,4E)-1,4-heptadien-1-yl]-5-hydroxy-2-(4-hydroxyphenyl)-1,3-dioxan-4-yl]octanoate","Formula":"C26 H38 O6","parent":"446.26188","medRt":"2.728"},{"Metabolite":"Methyl 15,16-dihydroxytetracosanoate","Formula":"C25 H50 O4","parent":"414.37093","medRt":"2.78"},{"Metabolite":"MCTR2","Formula":"C27 H40 N2 O6 S","parent":"520.26742","medRt":"1.568"},{"Metabolite":"Maxacalcitol","Formula":"C26 H42 O4","parent":"418.3082","medRt":"2.331"},{"Metabolite":"Maslinic acid","Formula":"C30 H48 O4","parent":"472.35451","medRt":"2.573"},{"Metabolite":"lysophosphatidylserine","Formula":"C24 H48 N O9 P","parent":"525.30623","medRt":"2.407"},{"Metabolite":"LPI(20:4)","Formula":"C29 H49 O12 P","parent":"620.29649","medRt":"2.058"},{"Metabolite":"LPI(18:2)","Formula":"C27 H49 O12 P","parent":"596.29656","medRt":"2.063"},{"Metabolite":"LPI(18:0)","Formula":"C27 H53 O12 P","parent":"600.32723","medRt":"2.406"},{"Metabolite":"LPE(22:6)","Formula":"C27 H44 N O7 P","parent":"525.28529","medRt":"2.283"},{"Metabolite":"LPE(20:4)","Formula":"C25 H44 N O7 P","parent":"501.28554","medRt":"2.303"},{"Metabolite":"LPE(20:3)","Formula":"C25 H46 N O7 P","parent":"503.3014","medRt":"2.405"},{"Metabolite":"LPE(18:2)","Formula":"C23 H44 N O7 P","parent":"477.28539","medRt":"2.313"},{"Metabolite":"LPE(18:1)","Formula":"C23 H46 N O7 P","parent":"479.30097","medRt":"2.48"},{"Metabolite":"LPE(16:0)","Formula":"C21 H44 N O7 P","parent":"453.28544","medRt":"2.424"},{"Metabolite":"LPC(17:1)","Formula":"C25 H50 N O7 P","parent":"507.33164","medRt":"2.443"},{"Metabolite":"LPC(17:0)","Formula":"C25 H52 N O7 P","parent":"509.34724","medRt":"2.626"},{"Metabolite":"LPC(16:0)","Formula":"C24 H50 N O7 P","parent":"495.33185","medRt":"2.51"},{"Metabolite":"LPC(15:0)","Formula":"C23 H48 N O7 P","parent":"481.31619","medRt":"2.388"},{"Metabolite":"LPA(18:2)","Formula":"C21 H39 O7 P","parent":"434.24324","medRt":"2.148"},{"Metabolite":"Linolenelaidic acid","Formula":"C18 H30 O2","parent":"278.22426","medRt":"2.39"},{"Metabolite":"Lexacalcitol","Formula":"C29 H48 O4","parent":"460.35535","medRt":"2.557"},{"Metabolite":"Leukotriene B4","Formula":"C20 H32 O4","parent":"336.2275","medRt":"2.464"},{"Metabolite":"L-(+)-Isoleucine","Formula":"C6 H13 N O2","parent":"131.09347","medRt":"0.416"},{"Metabolite":"KOdiA-PC","Formula":"C32 H58 N O11 P","parent":"663.37214","medRt":"2.443"},{"Metabolite":"Juniperic acid","Formula":"C16 H32 O3","parent":"272.23525","medRt":"2.119"},{"Metabolite":"Itaconic acid","Formula":"C5 H6 O4","parent":"130.02555","medRt":"0.351"},{"Metabolite":"Isobutyl furfurylacetate","Formula":"C11 H16 O3","parent":"196.10928","medRt":"0.454"},{"Metabolite":"Irilone","Formula":"C16 H10 O6","parent":"298.04536","medRt":"0.42"},{"Metabolite":"illudin S","Formula":"C15 H20 O4","parent":"264.13621","medRt":"0.477"},{"Metabolite":"Icosa-5,8,11,14-tetraenoic acid","Formula":"C20 H32 O2","parent":"304.24009","medRt":"3.475"},{"Metabolite":"Hydroxyneurosporene","Formula":"C40 H60 O","parent":"556.47057","medRt":"3.056"},{"Metabolite":"Hexacosanedioic acid","Formula":"C26 H50 O4","parent":"426.37075","medRt":"2.704"},{"Metabolite":"Hex2Cer(d34:1)","Formula":"C46 H87 N O13","parent":"861.60496","medRt":"3.406"},{"Metabolite":"Hex1Cer(d42:2)","Formula":"C48 H91 N O8","parent":"809.67524","medRt":"3.704"},{"Metabolite":"Hex1Cer(d34:1)","Formula":"C40 H77 N O8","parent":"699.56458","medRt":"3.386"},{"Metabolite":"Heptacosanedioic acid","Formula":"C27 H52 O4","parent":"440.38641","medRt":"2.706"},{"Metabolite":"Hecogenin","Formula":"C27 H42 O4","parent":"430.30831","medRt":"1.826"},{"Metabolite":"GPP","Formula":"C10 H20 O7 P2","parent":"314.07262","medRt":"0.349"},{"Metabolite":"Glycoursodeoxycholic acid 3-sulfate","Formula":"C26 H43 N O8 S","parent":"529.27107","medRt":"0.5"},{"Metabolite":"Glycocholic acid","Formula":"C26 H43 N O6","parent":"465.30906","medRt":"0.694"},{"Metabolite":"Glycochenodeoxycholic acid","Formula":"C26 H43 N O5","parent":"449.31434","medRt":"1.12"},{"Metabolite":"Glucosylceramide (d18:1/9Z-18:1)","Formula":"C42 H79 N O8","parent":"725.5719","medRt":"3.561"},{"Metabolite":"Glepidotin C","Formula":"C19 H22 O3","parent":"298.15468","medRt":"0.577"},{"Metabolite":"gitogenin","Formula":"C27 H44 O4","parent":"432.32439","medRt":"1.821"},{"Metabolite":"Ginkgoic acid","Formula":"C22 H34 O3","parent":"346.25056","medRt":"2.431"},{"Metabolite":"GIBBERELLIN A8-CATABOLITE","Formula":"C19 H22 O7","parent":"362.14015","medRt":"1.056"},{"Metabolite":"gibberellin A12","Formula":"C20 H28 O4","parent":"332.19882","medRt":"0.628"},{"Metabolite":"Geranylfarnesyl pyrophosphate","Formula":"C25 H44 O7 P2","parent":"518.25174","medRt":"1.382"},{"Metabolite":"Geranyl heptanoate","Formula":"C17 H30 O2","parent":"266.22438","medRt":"2.427"},{"Metabolite":"GD3(d34:1)","Formula":"C68 H121 N3 O29","parent":"1443.80875","medRt":"2.889"},{"Metabolite":"GD1a-ganglioside","Formula":"C84 H148 N4 O39","parent":"1836.97344","medRt":"3.004"},{"Metabolite":"Formebolone","Formula":"C21 H28 O4","parent":"344.19888","medRt":"1.903"},{"Metabolite":"FA(18:2)","Formula":"C18 H32 O2","parent":"280.23986","medRt":"2.555"},{"Metabolite":"Etretinate","Formula":"C23 H30 O3","parent":"354.2167","medRt":"2.665"},{"Metabolite":"Ethyl bromo(iodo)acetate","Formula":"C4 H6 Br I O2","parent":"291.85589","medRt":"0.371"},{"Metabolite":"ergosteryl oleate","Formula":"C46 H76 O2","parent":"660.58333","medRt":"3.744"},{"Metabolite":"Embelin","Formula":"C17 H26 O4","parent":"294.18676","medRt":"2.12"},{"Metabolite":"Eicosapentanoic acid","Formula":"C20 H30 O2","parent":"302.22439","medRt":"2.37"},{"Metabolite":"eicosa-8,11,14-trienoic acid","Formula":"C20 H34 O2","parent":"306.25565","medRt":"2.65"},{"Metabolite":"DPPI","Formula":"C41 H79 O13 P","parent":"810.52635","medRt":"3.21"},{"Metabolite":"Docosapentaenoic acid","Formula":"C22 H34 O2","parent":"330.25578","medRt":"2.603"},{"Metabolite":"Dioleoylphosphatidylserine","Formula":"C42 H78 N O10 P","parent":"787.53657","medRt":"3.275"}]
}

}