{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001708","ANALYSIS_ID":"AN002782","VERSION":"1","CREATED_ON":"February 22, 2021, 3:23 pm"},

"PROJECT":{"PROJECT_TITLE":"Oxylipin biosynthesis reinforces cellular senescence through a RAS/p53 feedback loop and allows detection of senolysis","PROJECT_SUMMARY":"Cellular senescence is a stress or damage response that causes a permanent proliferative arrest and secretion of numerous factors with potent biological activities. This senescence-associated secretory phenotype (SASP) has been characterized largely for secreted proteins that participate in embryogenesis, wound healing, inflammation and many age-related pathologies. By contrast, lipid components of the SASP are understudied. We show that senescent cells activate the biosynthesis of several oxylipins that promote segments of the SASP and reinforce the proliferative arrest. Notably, senescent cells synthesize and accumulate an unstudied intracellular prostaglandin, 1a,1b-dihomo-15-deoxy-delta-12,14-prostaglandin J2. Released 15-deoxy-delta-12,14-prostaglandin J2 is a biomarker of senolysis in culture and in vivo. This and other prostaglandin D2-related lipids promote the senescence arrest and SASP by activating RAS signaling. These data identify an important aspect of cellular senescence and a method to detect senolysis.","INSTITUTE":"Buck Institute for Research on Aging","LAST_NAME":"Sharma","FIRST_NAME":"Rishi","ADDRESS":"8001 Redwood Blvd, Novato, CA, 94945, USA","EMAIL":"sharmarishi2004@yahoo.co.in","PHONE":"5084392367"},

"STUDY":{"STUDY_TITLE":"Oxylipin biosynthesis reinforces cellular senescence through a RAS/p53 feedback loop and allows detection of senolysis","STUDY_SUMMARY":"Cellular senescence is a stress or damage response that causes a permanent proliferative arrest and secretion of numerous factors with potent biological activities. This senescence-associated secretory phenotype (SASP) has been characterized largely for secreted proteins that participate in embryogenesis, wound healing, inflammation and many age-related pathologies. By contrast, lipid components of the SASP are understudied. We show that senescent cells activate the biosynthesis of several oxylipins that promote segments of the SASP and reinforce the proliferative arrest. Notably, senescent cells synthesize and accumulate an unstudied intracellular prostaglandin, 1a,1b-dihomo-15-deoxy-delta-12,14-prostaglandin J2. Released 15-deoxy-delta-12,14-prostaglandin J2 is a biomarker of senolysis in culture and in vivo. This and other prostaglandin D2-related lipids promote the senescence arrest and SASP by activating RAS signaling. These data identify an important aspect of cellular senescence and a method to detect senolysis","INSTITUTE":"Buck Institute for Research on Aging","LAST_NAME":"Sharma","FIRST_NAME":"Rishi","ADDRESS":"8001 Redwood Blvd, Novato, CA, 94945, USA","EMAIL":"sharmarishi2004@yahoo.co.in","PHONE":"5084392367"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"A-121",
"Factors":{"Factor":"Mouse plasma"},
"Additional sample data":{"RAW_FILE_NAME":"A-121.d"}
},
{
"Subject ID":"-",
"Sample ID":"Ctl_61120",
"Factors":{"Factor":"SEN Cells_Ctls"},
"Additional sample data":{"RAW_FILE_NAME":"Ctl_61120.d"}
},
{
"Subject ID":"-",
"Sample ID":"IR_15_60120",
"Factors":{"Factor":"SENCells_IR"},
"Additional sample data":{"RAW_FILE_NAME":"IR_15_60120.d"}
},
{
"Subject ID":"-",
"Sample ID":"IR_DOXOABT_1",
"Factors":{"Factor":"DOXOABT"},
"Additional sample data":{"RAW_FILE_NAME":"IR_DOXOABT_1.d"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Cell culture: Human fetal lung fibroblasts (IMR-90) and HEPG2 cells were cultured in Dulbecco’s modified eagle medium (DMEM - Gibco) supplemented with 10% FBS and penicillin/streptomycin (Gibco). HUVEC cells were obtained from the ATCC and cultured using the ATCC protocol and culture media. Quiescence was induced by replacing culture media with media containing 0.2% FBS for 72 h before analysis. All cells were cultured at 3% O2, and used prior to 40 population doublings, other than replicative senescent cells, which were cultured until replicative exhaustion. All cells were mycoplasma free. Mouse Plasma: Animal experiments were conducted using a protocol approved by the Institutional Animal Care and Use Committee of the Buck Institute. For DOXO treatments, 10-16 wk old p16-3MR mice received one intraperitoneal (i.p.) injection of 10 mg/kg of doxorubicin hydrochloride in PBS, and treated 5 d later with GCV or vehicle. GCV was administered via daily i.p. injections for 5 consecutive days at 25 mg/kg in PBS. Control mice were injected with an equal volume of PBS. Mice were euthanized and tissues collected 10 d after DOXO challenge. For aging studies, C57BL/6 mice were aged for 6 or 24 mo, at which point mice were euthanized and tissues collected for analysis. For the biomarker studies, mice with challenged with DOXO as above, and given either vehicle or ABT-263 6 weeks after DOXO challenge. Whole blood was collected by cardiac puncture into EDTA-tubes (lavender caps – BD Biosciences) and spun at 2000g for 5 minutes. For urine collection, mice were placed in plastic containers prior to euthanasia.","SAMPLE_TYPE":"Blood (plasma)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Cell culture: Human fetal lung fibroblasts (IMR-90) and HEPG2 cells were cultured in Dulbecco’s modified eagle medium (DMEM - Gibco) supplemented with 10% FBS and penicillin/streptomycin (Gibco). HUVEC cells were obtained from the ATCC and cultured using the ATCC protocol and culture media. Quiescence was induced by replacing culture media with media containing 0.2% FBS for 72 h before analysis. All cells were cultured at 3% O2, and used prior to 40 population doublings, other than replicative senescent cells, which were cultured until replicative exhaustion. All cells were mycoplasma free. Mouse Plasma: Animal experiments were conducted using a protocol approved by the Institutional Animal Care and Use Committee of the Buck Institute. For DOXO treatments, 10-16 wk old p16-3MR mice received one intraperitoneal (i.p.) injection of 10 mg/kg of doxorubicin hydrochloride in PBS, and treated 5 d later with GCV or vehicle. GCV was administered via daily i.p. injections for 5 consecutive days at 25 mg/kg in PBS. Control mice were injected with an equal volume of PBS. Mice were euthanized and tissues collected 10 d after DOXO challenge. For aging studies, C57BL/6 mice were aged for 6 or 24 mo, at which point mice were euthanized and tissues collected for analysis. For the biomarker studies, mice with challenged with DOXO as above, and given either vehicle or ABT-263 6 weeks after DOXO challenge. Whole blood was collected by cardiac puncture into EDTA-tubes (lavender caps – BD Biosciences) and spun at 2000g for 5 minutes. For urine collection, mice were placed in plastic containers prior to euthanasia."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Protocol for Lipid Extraction (10.24.2019) Lipid Biomarker for Senolysis Study 1. 80% MeOH was added to each sample 500µL to plasma samples 100µL to urine sample 2. Transfer the contents to 9 mL glass tube and add 1.0 mL of CHCl3 (containing 200 ng/mL FA 17:0 Saturated). Vortex mix for 5 minutes. 3. Place the glass tube into a 15mL polypropylene culture tube with Kimi wipes inserted at bottom as a cushion. Wrap the culture tube with paraffin and place in centrifuge. This will prevent glass tube being shattered in the centrifuge. 4. Centrifuge at 4°C for 10 minutes 3000rpm. 5. After spinning there will be two distinct layers, the top layer is the aqueous layer containing the aqueous metabolites (80% MeOH) and bottom layer which contains lipids. 6. Transfer the lower layer into 1.5ml vials. 7. Transfer from the 1.5mL tube the exact amount of each sample into the MS/HPLC glass vial and dry down using nitrogen gas. 8. Reconstitute the lipids with 80µL chloroform. 9. Transfer upper layer (metabolites) into labeled vials and store at -80°C, if possible. Samples stored in -80°C. Sample volume submitted -Plasma samples=50µL Urine samples= 10µL Sample volume in each vial- Plasma samples µL and Urine samples µL -submitted to mass spec All samples were split in half ½ given to CW for further testing other 1/2 in -80°C"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 6520","COLUMN_NAME":"Phenomenex Kinetex C18 (150 x 2.1mm, 2.6 um)"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6520 QTOF","INSTRUMENT_TYPE":"QToF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Full scan mode was used. Data processed using profinder software"},

"MS_METABOLITE_DATA":{
"Units":"Peak Area",

"Data":[{"Metabolite":"Acetaminophen","A-121":"","Ctl_61120":"611775","IR_15_60120":"","IR_DOXOABT_1":""},{"Metabolite":"Cer 18:0;3/18:0;1","A-121":"","Ctl_61120":"611775","IR_15_60120":"","IR_DOXOABT_1":""},{"Metabolite":"DAG 12:0-16:1","A-121":"","Ctl_61120":"94764","IR_15_60120":"191511","IR_DOXOABT_1":""},{"Metabolite":"DAG 14:0-16:1","A-121":"","Ctl_61120":"","IR_15_60120":"10626","IR_DOXOABT_1":"61422"},{"Metabolite":"DAG 16:0-18:1","A-121":"","Ctl_61120":"","IR_15_60120":"90200","IR_DOXOABT_1":""},{"Metabolite":"DAG 18:1-18:1","A-121":"13960","Ctl_61120":"","IR_15_60120":"","IR_DOXOABT_1":""},{"Metabolite":"Ergosterol","A-121":"","Ctl_61120":"41928","IR_15_60120":"","IR_DOXOABT_1":""},{"Metabolite":"Gemfibrozil","A-121":"65073","Ctl_61120":"128741","IR_15_60120":"154892","IR_DOXOABT_1":"192382"},{"Metabolite":"IPC 18:0;2/18:0;0","A-121":"8317","Ctl_61120":"","IR_15_60120":"","IR_DOXOABT_1":"18640"},{"Metabolite":"IPC 18:0;3/16:0;2","A-121":"","Ctl_61120":"","IR_15_60120":"43337","IR_DOXOABT_1":""},{"Metabolite":"IPC 18:0;3/22:0;1","A-121":"","Ctl_61120":"46737","IR_15_60120":"","IR_DOXOABT_1":""},{"Metabolite":"LPA 14:0","A-121":"38625","Ctl_61120":"57629","IR_15_60120":"67293","IR_DOXOABT_1":"91643"},{"Metabolite":"LPE 18:0","A-121":"124148","Ctl_61120":"","IR_15_60120":"","IR_DOXOABT_1":""},{"Metabolite":"LPE 18:1","A-121":"","Ctl_61120":"17297","IR_15_60120":"15216","IR_DOXOABT_1":""},{"Metabolite":"LPI 16:0","A-121":"155580","Ctl_61120":"","IR_15_60120":"","IR_DOXOABT_1":""},{"Metabolite":"LPI 18:0","A-121":"","Ctl_61120":"20462","IR_15_60120":"","IR_DOXOABT_1":""},{"Metabolite":"LPS 18:1","A-121":"48179","Ctl_61120":"","IR_15_60120":"","IR_DOXOABT_1":""},{"Metabolite":"Norethynodrel","A-121":"6425","Ctl_61120":"101459","IR_15_60120":"135195","IR_DOXOABT_1":"152762"},{"Metabolite":"OOB-PC","A-121":"81087","Ctl_61120":"","IR_15_60120":"","IR_DOXOABT_1":""},{"Metabolite":"PA 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IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"717.532","RSD (Mass, ppm)":""},{"Metabolite":"PC(16:0/16:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"30.921","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"731.5454","RSD (Mass, ppm)":""},{"Metabolite":"PC(16:0/18:0)","[ret] A-121":"28.096","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"761.5908","RSD (Mass, ppm)":""},{"Metabolite":"PC(16:0/18:1(11E))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"30.959","[ret] IR_DOXOABT_1":"","Mass (avg)":"759.5805","RSD (Mass, ppm)":""},{"Metabolite":"PC(16:0/18:1(11Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"30.959","[ret] IR_DOXOABT_1":"","Mass (avg)":"759.5805","RSD (Mass, ppm)":""},{"Metabolite":"PC(16:0/18:1(6E))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"30.959","[ret] IR_DOXOABT_1":"","Mass (avg)":"759.5805","RSD (Mass, ppm)":""},{"Metabolite":"PC(16:0/18:1(6Z))","[ret] A-121":"","[ret] 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IR_DOXOABT_1":"","Mass (avg)":"761.5908","RSD (Mass, ppm)":""},{"Metabolite":"PC(17:0/17:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"30.959","[ret] IR_DOXOABT_1":"","Mass (avg)":"759.5805","RSD (Mass, ppm)":""},{"Metabolite":"PC(17:0/18:4(6Z,9Z,12Z,15Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"28.282","[ret] IR_DOXOABT_1":"","Mass (avg)":"767.5453","RSD (Mass, ppm)":""},{"Metabolite":"PC(17:1(9Z)/14:0)","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"32.777","[ret] IR_DOXOABT_1":"","Mass (avg)":"717.5322","RSD (Mass, ppm)":""},{"Metabolite":"PC(17:1(9Z)/14:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"32.032","[ret] IR_15_60120":"32.121","[ret] IR_DOXOABT_1":"","Mass (avg)":"715.5123","RSD (Mass, ppm)":"0.42"},{"Metabolite":"PC(17:1(9Z)/15:0)","[ret] A-121":"","[ret] Ctl_61120":"30.921","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"731.5454","RSD (Mass, ppm)":""},{"Metabolite":"PC(17:1(9Z)/17:0)","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"30.959","[ret] IR_DOXOABT_1":"","Mass (avg)":"759.5805","RSD (Mass, ppm)":""},{"Metabolite":"PC(17:1(9Z)/18:3(6Z,9Z,12Z))","[ret] A-121":"","[ret] Ctl_61120":"12.94","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"767.5468","RSD (Mass, ppm)":""},{"Metabolite":"PC(17:1(9Z)/18:3(9Z,12Z,15Z))","[ret] A-121":"","[ret] Ctl_61120":"12.94","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"767.5468","RSD (Mass, ppm)":""},{"Metabolite":"PC(17:2(9Z,12Z)/0:0)","[ret] A-121":"15.671","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"505.3158","RSD (Mass, ppm)":""},{"Metabolite":"PC(17:2(9Z,12Z)/12:0)","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"30.31","Mass (avg)":"687.4837","RSD (Mass, ppm)":""},{"Metabolite":"PC(17:2(9Z,12Z)/14:0)","[ret] A-121":"","[ret] Ctl_61120":"32.032","[ret] IR_15_60120":"32.121","[ret] IR_DOXOABT_1":"","Mass (avg)":"715.5123","RSD (Mass, ppm)":"0.42"},{"Metabolite":"PC(17:2(9Z,12Z)/18:2(9Z,12Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"28.282","[ret] IR_DOXOABT_1":"","Mass (avg)":"767.5453","RSD (Mass, ppm)":""},{"Metabolite":"PC(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"25.866","Mass (avg)":"789.5309","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:0/14:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"30.921","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"731.5454","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:0/16:0)","[ret] A-121":"28.096","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"761.5908","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:0/16:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"30.959","[ret] IR_DOXOABT_1":"","Mass (avg)":"759.5805","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:1(11Z)/14:0)","[ret] A-121":"","[ret] Ctl_61120":"30.921","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"731.5454","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:1(11Z)/16:0)","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"30.959","[ret] IR_DOXOABT_1":"","Mass (avg)":"759.5805","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:1(9Z)/13:0)","[ret] A-121":"","[ret] Ctl_61120":"13.243","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"717.532","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:1(9Z)/14:0)","[ret] A-121":"","[ret] Ctl_61120":"30.921","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"731.5454","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:1(9Z)/16:0)","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"30.959","[ret] IR_DOXOABT_1":"","Mass (avg)":"759.5805","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:2(9Z,12E)/17:2(9Z,11E))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"28.282","[ret] IR_DOXOABT_1":"","Mass (avg)":"767.5453","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:2(9Z,12Z)/13:0)","[ret] A-121":"","[ret] Ctl_61120":"32.032","[ret] IR_15_60120":"32.121","[ret] IR_DOXOABT_1":"","Mass (avg)":"715.5123","RSD (Mass, ppm)":"0.42"},{"Metabolite":"PC(18:2(9Z,12Z)/17:2(9Z,12Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"28.282","[ret] IR_DOXOABT_1":"","Mass (avg)":"767.5453","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"24.141","[ret] IR_DOXOABT_1":"","Mass (avg)":"777.5325","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:3(6Z,9Z,12Z)/17:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"28.282","[ret] IR_DOXOABT_1":"","Mass (avg)":"767.5453","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"24.141","[ret] IR_DOXOABT_1":"","Mass (avg)":"777.5325","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"24.141","[ret] IR_DOXOABT_1":"","Mass (avg)":"777.5325","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:3(9E,11E,13E)/18:3(9E,11E,13E))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"24.141","[ret] IR_DOXOABT_1":"","Mass (avg)":"777.5325","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:3(9Z,12Z,15Z)/17:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"28.282","[ret] IR_DOXOABT_1":"","Mass (avg)":"767.5453","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"24.141","[ret] IR_DOXOABT_1":"","Mass (avg)":"777.5325","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"24.141","[ret] IR_DOXOABT_1":"","Mass (avg)":"777.5325","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:4(6Z,9Z,12Z,15Z)/17:0)","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"28.282","[ret] IR_DOXOABT_1":"","Mass (avg)":"767.5453","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"24.141","[ret] IR_DOXOABT_1":"","Mass (avg)":"777.5325","RSD (Mass, ppm)":""},{"Metabolite":"PC(18:4(9E,11E,13E,15E)/18:2(9Z,12Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"24.141","[ret] IR_DOXOABT_1":"","Mass (avg)":"777.5325","RSD (Mass, ppm)":""},{"Metabolite":"PC(19:0/15:0)","[ret] A-121":"28.096","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"761.5908","RSD (Mass, ppm)":""},{"Metabolite":"PC(19:0/15:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"30.959","[ret] IR_DOXOABT_1":"","Mass (avg)":"759.5805","RSD (Mass, ppm)":""},{"Metabolite":"PC(19:1(9Z)/12:0)","[ret] A-121":"","[ret] Ctl_61120":"13.243","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"717.532","RSD (Mass, ppm)":""},{"Metabolite":"PC(19:1(9Z)/13:0)","[ret] A-121":"","[ret] Ctl_61120":"30.921","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"731.5454","RSD (Mass, ppm)":""},{"Metabolite":"PC(19:1(9Z)/15:0)","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"30.959","[ret] IR_DOXOABT_1":"","Mass (avg)":"759.5805","RSD (Mass, ppm)":""},{"Metabolite":"PC(20:0/14:0)","[ret] A-121":"28.096","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"761.5908","RSD (Mass, ppm)":""},{"Metabolite":"PC(20:0/14:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"30.959","[ret] IR_DOXOABT_1":"","Mass (avg)":"759.5805","RSD (Mass, ppm)":""},{"Metabolite":"PC(20:1(11Z)/12:0)","[ret] A-121":"","[ret] Ctl_61120":"30.921","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"731.5454","RSD (Mass, ppm)":""},{"Metabolite":"PC(20:1(11Z)/14:0)","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"30.959","[ret] IR_DOXOABT_1":"","Mass (avg)":"759.5805","RSD (Mass, ppm)":""},{"Metabolite":"PC(20:3(8Z,11Z,14Z)/15:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"28.282","[ret] IR_DOXOABT_1":"","Mass (avg)":"767.5453","RSD (Mass, ppm)":""},{"Metabolite":"PC(20:4(5Z,8Z,11Z,14Z)/15:0)","[ret] A-121":"","[ret] Ctl_61120":"12.94","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"767.5468","RSD (Mass, ppm)":""},{"Metabolite":"PC(20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"24.141","[ret] IR_DOXOABT_1":"","Mass (avg)":"777.5325","RSD (Mass, ppm)":""},{"Metabolite":"PC(20:5(5Z,8Z,11Z,14Z,17Z)/17:2(9Z,12Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"25.866","Mass (avg)":"789.5309","RSD (Mass, ppm)":""},{"Metabolite":"PC(21:0/13:0)","[ret] A-121":"28.096","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"761.5908","RSD (Mass, ppm)":""},{"Metabolite":"PC(22:0/12:0)","[ret] A-121":"28.096","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"761.5908","RSD (Mass, ppm)":""},{"Metabolite":"PC(22:1(11Z)/12:0)","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"30.959","[ret] IR_DOXOABT_1":"","Mass (avg)":"759.5805","RSD (Mass, ppm)":""},{"Metabolite":"PC(22:4(7Z,10Z,13Z,16Z)/13:0)","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"28.282","[ret] IR_DOXOABT_1":"","Mass (avg)":"767.5453","RSD (Mass, ppm)":""},{"Metabolite":"PC(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"24.141","[ret] IR_DOXOABT_1":"","Mass (avg)":"777.5325","RSD (Mass, ppm)":""},{"Metabolite":"PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"24.141","[ret] IR_DOXOABT_1":"","Mass (avg)":"777.5325","RSD (Mass, ppm)":""},{"Metabolite":"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"24.141","[ret] IR_DOXOABT_1":"","Mass (avg)":"777.5325","RSD (Mass, ppm)":""},{"Metabolite":"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"25.866","Mass (avg)":"789.5309","RSD (Mass, ppm)":""},{"Metabolite":"PC(24:1(15Z)/0:0)","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"28.341","Mass (avg)":"605.4407","RSD (Mass, ppm)":""},{"Metabolite":"PC(36:0/16:0)","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"28.745","Mass (avg)":"1013.8766","RSD (Mass, ppm)":""},{"Metabolite":"PC(O-1:0/16:0)","[ret] A-121":"17.641","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"509.3473","RSD (Mass, ppm)":""},{"Metabolite":"PC(O-14:0/18:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"27.28","Mass (avg)":"717.5661","RSD (Mass, ppm)":""},{"Metabolite":"PC(O-14:0/22:0)","[ret] A-121":"12.843","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"12.835","Mass (avg)":"775.6427","RSD (Mass, ppm)":"1.52"},{"Metabolite":"PC(O-15:0/2:0)","[ret] A-121":"17.641","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"509.3473","RSD (Mass, ppm)":""},{"Metabolite":"PC(O-16:0/1:0)","[ret] A-121":"17.641","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"509.3473","RSD (Mass, ppm)":""},{"Metabolite":"PC(O-16:0/16:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"27.28","Mass (avg)":"717.5661","RSD (Mass, ppm)":""},{"Metabolite":"PC(O-16:0/17:2(9Z,12Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"29.949","[ret] IR_DOXOABT_1":"","Mass (avg)":"729.5628","RSD (Mass, ppm)":""},{"Metabolite":"PC(O-16:0/20:0)","[ret] A-121":"12.843","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"12.835","Mass (avg)":"775.6427","RSD (Mass, ppm)":"1.52"},{"Metabolite":"PC(O-18:0/14:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"27.28","Mass (avg)":"717.5661","RSD (Mass, ppm)":""},{"Metabolite":"PC(O-20:0/16:0)","[ret] A-121":"12.843","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"12.835","Mass (avg)":"775.6427","RSD (Mass, ppm)":"1.52"},{"Metabolite":"PC(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","[ret] A-121":"","[ret] Ctl_61120":"28.446","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"847.6458","RSD (Mass, ppm)":""},{"Metabolite":"PC(O-22:0/22:3(10Z,13Z,16Z))","[ret] A-121":"29.661","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"881.7239","RSD (Mass, ppm)":""},{"Metabolite":"PC(O-22:1(13Z)/22:2(13Z,16Z))","[ret] A-121":"29.661","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"881.7239","RSD (Mass, ppm)":""},{"Metabolite":"PC(P-15:0/0:0)","[ret] A-121":"","[ret] Ctl_61120":"17.991","[ret] IR_15_60120":"18.029","[ret] IR_DOXOABT_1":"","Mass (avg)":"465.3202","RSD (Mass, ppm)":"0.63"},{"Metabolite":"PC(P-16:0/16:0)","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"27.28","Mass (avg)":"717.5661","RSD (Mass, ppm)":""},{"Metabolite":"PC(P-16:0/17:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"29.949","[ret] IR_DOXOABT_1":"","Mass (avg)":"729.5628","RSD (Mass, ppm)":""},{"Metabolite":"PC(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))","[ret] A-121":"","[ret] Ctl_61120":"31.931","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"763.5523","RSD (Mass, ppm)":""},{"Metabolite":"PC(P-17:0/0:0)","[ret] A-121":"","[ret] Ctl_61120":"20.466","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"493.3523","RSD (Mass, ppm)":""},{"Metabolite":"PC(P-18:0/14:0)","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"27.28","Mass (avg)":"717.5661","RSD (Mass, ppm)":""},{"Metabolite":"PC(P-18:0/15:1(9Z))","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"29.949","[ret] IR_DOXOABT_1":"","Mass (avg)":"729.5628","RSD (Mass, ppm)":""},{"Metabolite":"PC(P-20:0/0:0)","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"29.957","Mass (avg)":"535.396","RSD (Mass, ppm)":""},{"Metabolite":"PC(P-20:0/12:0)","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"27.28","Mass (avg)":"717.5661","RSD (Mass, ppm)":""},{"Metabolite":"PC(P-20:0/19:1(9Z))","[ret] A-121":"22.843","[ret] Ctl_61120":"","[ret] IR_15_60120":"22.928","[ret] IR_DOXOABT_1":"22.836","Mass (avg)":"813.6711","RSD (Mass, ppm)":"12.13"},{"Metabolite":"PE 16:0-18:1","[ret] A-121":"","[ret] Ctl_61120":"13.243","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"717.532","RSD (Mass, ppm)":""},{"Metabolite":"PE 16:1-16:1","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"30.31","Mass (avg)":"687.4837","RSD (Mass, ppm)":""},{"Metabolite":"PE 16:1-18:1","[ret] A-121":"","[ret] Ctl_61120":"32.032","[ret] IR_15_60120":"32.121","[ret] IR_DOXOABT_1":"","Mass (avg)":"715.5123","RSD (Mass, ppm)":"0.42"},{"Metabolite":"PE 18:0-16:1","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"32.777","[ret] IR_DOXOABT_1":"","Mass (avg)":"717.5322","RSD (Mass, ppm)":""},{"Metabolite":"PECPC","[ret] A-121":"16.126","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"809.5141","RSD (Mass, ppm)":""},{"Metabolite":"PG 16:0-18:1","[ret] A-121":"23.045","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"748.5243","RSD (Mass, ppm)":""},{"Metabolite":"PG 18:1-18:1","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"32.121","[ret] IR_DOXOABT_1":"","Mass (avg)":"774.5407","RSD (Mass, ppm)":""},{"Metabolite":"PGJ2_Class_1","[ret] A-121":"17.54","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"344.2327","RSD (Mass, ppm)":""},{"Metabolite":"PGJ2_Class","[ret] A-121":"","[ret] Ctl_61120":"18.092","[ret] IR_15_60120":"17.979","[ret] IR_DOXOABT_1":"17.987","Mass (avg)":"344.2314","RSD (Mass, ppm)":"3.57"},{"Metabolite":"PHHdiA-PC","[ret] A-121":"8.55","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"651.3765","RSD (Mass, ppm)":""},{"Metabolite":"PHODiA-PC","[ret] A-121":"17.691","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"665.3904","RSD (Mass, ppm)":""},{"Metabolite":"PI 12:0-18:0","[ret] A-121":"23.449","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"782.496","RSD (Mass, ppm)":""},{"Metabolite":"PI 14:0-16:0","[ret] A-121":"23.449","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"782.496","RSD (Mass, ppm)":""},{"Metabolite":"PI 14:0-18:1","[ret] A-121":"","[ret] Ctl_61120":"22.991","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"808.5122","RSD (Mass, ppm)":""},{"Metabolite":"PI 16:0-16:1","[ret] A-121":"","[ret] Ctl_61120":"22.991","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"808.5122","RSD (Mass, ppm)":""},{"Metabolite":"P-IsoPGA2-PC","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"31.868","[ret] IR_DOXOABT_1":"","Mass (avg)":"811.5366","RSD (Mass, ppm)":""},{"Metabolite":"POB-PC","[ret] A-121":"15.671","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"579.3534","RSD (Mass, ppm)":""},{"Metabolite":"Procainamide","[ret] A-121":"17.085","[ret] Ctl_61120":"17.082","[ret] IR_15_60120":"17.171","[ret] IR_DOXOABT_1":"17.027","Mass (avg)":"235.1651","RSD (Mass, ppm)":"0.4"},{"Metabolite":"Progesterone","[ret] A-121":"18.853","[ret] Ctl_61120":"18.951","[ret] IR_15_60120":"19.039","[ret] IR_DOXOABT_1":"18.947","Mass (avg)":"314.2247","RSD (Mass, ppm)":"0.93"},{"Metabolite":"PS 18:0-18:1","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"12.979","[ret] IR_DOXOABT_1":"","Mass (avg)":"789.5514","RSD (Mass, ppm)":""},{"Metabolite":"Quinidine","[ret] A-121":"15.267","[ret] Ctl_61120":"15.365","[ret] IR_15_60120":"15.403","[ret] IR_DOXOABT_1":"15.31","Mass (avg)":"324.1844","RSD (Mass, ppm)":"3.57"},{"Metabolite":"Quinine","[ret] A-121":"15.267","[ret] Ctl_61120":"15.365","[ret] IR_15_60120":"15.403","[ret] IR_DOXOABT_1":"15.31","Mass (avg)":"324.1844","RSD (Mass, ppm)":"3.57"},{"Metabolite":"TAG 14:0-16:0-16:0","[ret] A-121":"","[ret] Ctl_61120":"32.89","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"778.7046","RSD (Mass, ppm)":""},{"Metabolite":"TAG 14:0-16:1-22:0","[ret] A-121":"31.328","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"860.7816","RSD (Mass, ppm)":""},{"Metabolite":"TAG 14:0-18:1-20:0","[ret] A-121":"31.328","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"860.7816","RSD (Mass, ppm)":""},{"Metabolite":"TAG 16:0-16:0-18:0","[ret] A-121":"","[ret] Ctl_61120":"","[ret] IR_15_60120":"31.414","[ret] IR_DOXOABT_1":"","Mass (avg)":"834.7664","RSD (Mass, ppm)":""},{"Metabolite":"TAG 16:0-16:1-26:0","[ret] A-121":"29.207","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"944.8771","RSD (Mass, ppm)":""},{"Metabolite":"TAG 16:0-18:0-18:1","[ret] A-121":"31.328","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"860.7816","RSD (Mass, ppm)":""},{"Metabolite":"TAG 16:0-18:1-24:0","[ret] A-121":"29.207","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"944.8771","RSD (Mass, ppm)":""},{"Metabolite":"TAG 16:1-18:0-18:0","[ret] A-121":"31.328","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"860.7816","RSD (Mass, ppm)":""},{"Metabolite":"TAG 18:0-18:1-22:0","[ret] A-121":"29.207","[ret] Ctl_61120":"","[ret] IR_15_60120":"","[ret] IR_DOXOABT_1":"","Mass (avg)":"944.8771","RSD (Mass, ppm)":""}]
}

}