{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000332","ANALYSIS_ID":"AN000531","VERSION":"1","CREATED_ON":"January 15, 2016, 12:53 pm"},

"PROJECT":{"PROJECT_TITLE":"Effects of Giardia intestinalis on GI tract","PROJECT_SUMMARY":"This experiment aimed to see the effects of Giardia Intestinalis on the small intestine of mice. The metabolites of the proximal and distal ends of the small intestine of healthy mice were compared to those of mice who had been infected with Giardia intestinalis for 7 days.","INSTITUTE":"University of California, Davis","DEPARTMENT":"Genome and Biomedical Sciences Facility","LABORATORY":"WCMC Metabolomics Core","LAST_NAME":"Fiehn","FIRST_NAME":"Oliver","ADDRESS":"1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis, CA 95616","EMAIL":"ofiehn@ucdavis.edu","PHONE":"(530) 754-8258","FUNDING_SOURCE":"U24DK097154"},

"STUDY":{"STUDY_TITLE":"Effects of Giardia intestinalis on mice GI tract","STUDY_SUMMARY":"This experiment aimed to see the effects of Giardia Intestinalis on the small intestine of mice. The metabolites of the proximal and distal ends of the small intestine of healthy mice were compared to those of mice who had been infected with Giardia intestinalis for 7 days.","INSTITUTE":"University of California, Davis","DEPARTMENT":"Genome and Biomedical Sciences Facility","LABORATORY":"WCMC Metabolomics Core","LAST_NAME":"Fiehn","FIRST_NAME":"Oliver","ADDRESS":"1315 Genome and Biomedical Sciences Facility, 451 Health Sciences Drive, Davis, CA 95616","EMAIL":"ofiehn@ucdavis.edu","PHONE":"(530) 754-8258","NUM_GROUPS":"8","TOTAL_SUBJECTS":"28"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Mus musculus"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"1.prox.56",
"Factors":{"Location":"uninfected proximal"}
},
{
"Subject ID":"-",
"Sample ID":"2.prox.56",
"Factors":{"Location":"uninfected proximal"}
},
{
"Subject ID":"-",
"Sample ID":"3.prox.56",
"Factors":{"Location":"uninfected proximal"}
},
{
"Subject ID":"-",
"Sample ID":"5.prox.56",
"Factors":{"Location":"infected proximal"}
},
{
"Subject ID":"-",
"Sample ID":"6.prox.56",
"Factors":{"Location":"infected proximal"}
},
{
"Subject ID":"-",
"Sample ID":"7.prox.56",
"Factors":{"Location":"infected proximal"}
},
{
"Subject ID":"-",
"Sample ID":"8.prox.56",
"Factors":{"Location":"infected proximal"}
},
{
"Subject ID":"-",
"Sample ID":"1.dist.56",
"Factors":{"Location":"uninfected distal"}
},
{
"Subject ID":"-",
"Sample ID":"2.dist.56",
"Factors":{"Location":"uninfected distal"}
},
{
"Subject ID":"-",
"Sample ID":"3.dist.56",
"Factors":{"Location":"uninfected distal"}
},
{
"Subject ID":"-",
"Sample ID":"5.dist.56",
"Factors":{"Location":"infected distal"}
},
{
"Subject ID":"-",
"Sample ID":"6.dist.56",
"Factors":{"Location":"infected distal"}
},
{
"Subject ID":"-",
"Sample ID":"7.dist.56",
"Factors":{"Location":"infected distal"}
},
{
"Subject ID":"-",
"Sample ID":"8.dist.56",
"Factors":{"Location":"infected distal"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"C57B6J mice were infected via oral gavage with Giardia intestinalis, then sacrificed 7 days later. Intestinal samples containing Giardia were excised and flash frozen in liquid nitrogen.","COLLECTION_PROTOCOL_FILENAME":"StudyDesign-JohnPham-12814.pdf","SAMPLE_TYPE":"Small intestine tissue"},

"TREATMENT":{"TREATMENT_SUMMARY":"3 segments originating from the proximal small intestine of uninfected mice 3 segments originating from the distal small intestine of uninfected mice 4 segments originating from the proximal small intestine of Giardia­infected mice 4 segments originating from the distal small intestine of Giardia­infected mice","TREATMENT_PROTOCOL_FILENAME":"StudyDesign-JohnPham-12814.pdf"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"1. Weigh 50 mg tissue sample in to a 25 ml conical polypropylene centrifuge tube. 2. Add 2.5mL extraction solvent to the tissue sample and homogenize for 45 seconds ensuring that sample resembles a powder. In between samples, clean the homogenizer in solutions of methanol, acetone, water, and the extraction solvent. 3. Centrifuge the samples at 2500 rpm. for 5 minutes. Aliquot 2 X 500µl supernatant, one for analysis and one for a backup sample. Store backup aliquot in the -20°C freezer. 4. Evaporate one 500µl aliquot of the sample in the Labconco Centrivap cold trap concentrator to complete dryness 5. The dried aliquot is then re-suspended with 500l 50% acetonitrile (degassed as given) 6. Centrifuge for 2 min at 14000 rcf using the centrifuge Eppendorf 5415. 7. Remove supernatant to a new Eppendorff tube. 8. Evaporate the supernatant to dryness in the the Labconco Centrivap cold trap concentrator. 9. Submit to derivatization.","SAMPLEPREP_PROTOCOL_FILENAME":"SOP Extraction of Mammalian Tissue Samples.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"UPLC","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Unspecified","COLUMN_NAME":"Waters Acquity CSH C18 (100 x 2.1mm, 1.7um) 1.7um Pre-Column","FLOW_GRADIENT":"15% B to 99% B","FLOW_RATE":"0.6 mL/min","COLUMN_TEMPERATURE":"65 C","METHODS_FILENAME":"Data Dictionary Fiehn laboratory_CSH QTOF lipidomics_05-29-2014.pdf","SOLVENT_A":"60:40 Acetonitrile:Water +10mM Ammonium Formate +10mM Formic Acid","SOLVENT_B":"9:1 Isopropanol:Acetonitrile +10mM Ammonium Formate +10mM Formic Acid","COLUMN_PRESSURE":"450-850 bar","INTERNAL_STANDARD":"See data dictionary","RETENTION_TIME":"See data dictionary","SAMPLE_INJECTION":"1.67 uL","ANALYTICAL_TIME":"13 min","CAPILLARY_VOLTAGE":"3500","TIME_PROGRAM":"15 min","WEAK_WASH_SOLVENT_NAME":"Isopropanol","WEAK_WASH_VOLUME":"5 seconds","STRONG_WASH_SOLVENT_NAME":"Isopropanol","TARGET_SAMPLE_TEMPERATURE":"Autosampler temp 4 C","RANDOMIZATION_ORDER":"Excel"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"WCMC Metabolomics Core","DETECTOR_TYPE":"TOF MCP","SOFTWARE_VERSION":"MassHunter","DATA_FORMAT":".d"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 6530 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","CAPILLARY_VOLTAGE":"3500","COLLISION_GAS":"Nitrogen","DRY_GAS_FLOW":"8 l/min","DRY_GAS_TEMP":"325","FRAGMENT_VOLTAGE":"120","FRAGMENTATION_METHOD":"Auto MS/MS","ION_SOURCE_TEMPERATURE":"325","ION_SPRAY_VOLTAGE":"1000","IONIZATION":"Pos","PRECURSOR_TYPE":"Intact Molecule","REAGENT_GAS":"Nitrogen","SOURCE_TEMPERATURE":"325 C","DESOLVATION_GAS_FLOW":"11 l/min","DESOLVATION_TEMPERATURE":"350 C","NEBULIZER":"35 psig","OCTPOLE_VOLTAGE":"750","RESOLUTION_SETTING":"Extended Dynamic Range","SCAN_RANGE_MOVERZ":"60-1700 Da","SCANNING_CYCLE":"2 Hz","SCANNING_RANGE":"60-1700 Da","SKIMMER_VOLTAGE":"65"},

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

"Data":[{"Metabolite":"Acylcarnitine C16:0","1.prox.56":"54454.68","2.prox.56":"37878.96","3.prox.56":"35515.2","5.prox.56":"49086.24","6.prox.56":"39640.02","7.prox.56":"54581.1","8.prox.56":"54698.7","1.dist.56":"32504.64","2.dist.56":"85739.22","3.dist.56":"93841.86","5.dist.56":"75637.38","6.dist.56":"33939.36","7.dist.56":"73614.66","8.dist.56":"88405.8"},{"Metabolite":"Acylcarnitine C18:0","1.prox.56":"43632.54","2.prox.56":"32213.58","3.prox.56":"26818.68","5.prox.56":"29547","6.prox.56":"32804.52","7.prox.56":"22979.04","8.prox.56":"42365.4","1.dist.56":"15890.7","2.dist.56":"33330.78","3.dist.56":"29846.88","5.dist.56":"33151.44","6.dist.56":"27377.28","7.dist.56":"52220.28","8.dist.56":"36356.04"},{"Metabolite":"Acylcarnitine C18:1","1.prox.56":"42818.16","2.prox.56":"17448.9","3.prox.56":"22920.24","5.prox.56":"40419.12","6.prox.56":"17231.34","7.prox.56":"42365.4","8.prox.56":"25175.22","1.dist.56":"19110","2.dist.56":"56747.88","3.dist.56":"84098.7","5.dist.56":"55201.44","6.dist.56":"12744.9","7.dist.56":"32245.92","8.dist.56":"73623.48"},{"Metabolite":"Acylcarnitine C18:2","1.prox.56":"29958.6","2.prox.56":"11824.68","3.prox.56":"13591.62","5.prox.56":"26480.58","6.prox.56":"9099.3","7.prox.56":"31216.92","8.prox.56":"17075.52","1.dist.56":"16202.34","2.dist.56":"47927.88","3.dist.56":"61584.18","5.dist.56":"31246.32","6.dist.56":"","7.dist.56":"14902.86","8.dist.56":"61157.88"},{"Metabolite":"Ceramide (d40:1)","1.prox.56":"27333.18","2.prox.56":"25039.98","3.prox.56":"30246.72","5.prox.56":"17719.38","6.prox.56":"37981.86","7.prox.56":"10472.28","8.prox.56":"29150.1","1.dist.56":"18883.62","2.dist.56":"16158.24","3.dist.56":"14708.82","5.dist.56":"23437.68","6.dist.56":"18504.36","7.dist.56":"32395.86","8.dist.56":"18980.64"},{"Metabolite":"Ceramide (d42:1)","1.prox.56":"42062.58","2.prox.56":"38196.48","3.prox.56":"39563.58","5.prox.56":"27444.9","6.prox.56":"53696.16","7.prox.56":"21576.66","8.prox.56":"43394.4","1.dist.56":"30640.68","2.dist.56":"30628.92","3.dist.56":"25316.34","5.dist.56":"48339.48","6.dist.56":"37799.58","7.dist.56":"46055.1","8.dist.56":"32434.08"},{"Metabolite":"Ceramide (d42:2)","1.prox.56":"40119.24","2.prox.56":"29547","3.prox.56":"34368.6","5.prox.56":"19218.78","6.prox.56":"53393.34","7.prox.56":"19912.62","8.prox.56":"40892.46","1.dist.56":"28503.3","2.dist.56":"30852.36","3.dist.56":"24566.64","5.dist.56":"37823.1","6.dist.56":"38646.3","7.dist.56":"43541.4","8.dist.56":"32675.16"},{"Metabolite":"DG (34:1)","1.prox.56":"179754.54","2.prox.56":"75275.76","3.prox.56":"92580.6","5.prox.56":"207955.02","6.prox.56":"119337.54","7.prox.56":"47742.66","8.prox.56":"90628.44","1.dist.56":"47492.76","2.dist.56":"81914.28","3.dist.56":"66488.1","5.dist.56":"261842.28","6.dist.56":"109282.74","7.dist.56":"137500.86","8.dist.56":"82937.4"},{"Metabolite":"DG (34:2)","1.prox.56":"973401.66","2.prox.56":"713861.4","3.prox.56":"723492.84","5.prox.56":"773540.46","6.prox.56":"719385.66","7.prox.56":"146676.6","8.prox.56":"632205.84","1.dist.56":"235746.84","2.dist.56":"459195.66","3.dist.56":"301685.16","5.dist.56":"994008.12","6.dist.56":"692125.98","7.dist.56":"748282.92","8.dist.56":"376899.18"},{"Metabolite":"DG (36:1)","1.prox.56":"73999.8","2.prox.56":"53272.8","3.prox.56":"51688.14","5.prox.56":"74270.28","6.prox.56":"55768.86","7.prox.56":"22970.22","8.prox.56":"52358.46","1.dist.56":"29923.32","2.dist.56":"37767.24","3.dist.56":"27494.88","5.dist.56":"90252.12","6.dist.56":"52570.14","7.dist.56":"68249.16","8.dist.56":"41377.56"},{"Metabolite":"DG (36:3)","1.prox.56":"573388.2","2.prox.56":"256135.74","3.prox.56":"298213.02","5.prox.56":"605581.2","6.prox.56":"362052.18","7.prox.56":"102623.64","8.prox.56":"283898.16","1.dist.56":"160947.36","2.dist.56":"212023.98","3.dist.56":"154926.24","5.dist.56":"800294.46","6.dist.56":"327695.34","7.dist.56":"344697.36","8.dist.56":"240306.78"},{"Metabolite":"DG (36:4)","1.prox.56":"422081.1","2.prox.56":"134743.14","3.prox.56":"177208.5","5.prox.56":"327069.12","6.prox.56":"206449.74","7.prox.56":"87597.3","8.prox.56":"149951.76","1.dist.56":"58952.88","2.dist.56":"117403.02","3.dist.56":"98534.1","5.dist.56":"283904.04","6.dist.56":"152009.76","7.dist.56":"219876.72","8.dist.56":"135539.88"},{"Metabolite":"DG (38:5)","1.prox.56":"71430.24","2.prox.56":"40854.24","3.prox.56":"52261.44","5.prox.56":"48853.98","6.prox.56":"53907.84","7.prox.56":"14994","8.prox.56":"42944.58","1.dist.56":"28382.76","2.dist.56":"33310.2","3.dist.56":"20659.38","5.dist.56":"76628.16","6.dist.56":"51488.22","7.dist.56":"52996.44","8.dist.56":"32316.48"},{"Metabolite":"DG (38:6)","1.prox.56":"76295.94","2.prox.56":"51203.04","3.prox.56":"57288.84","5.prox.56":"47492.76","6.prox.56":"52964.1","7.prox.56":"14700","8.prox.56":"48942.18","1.dist.56":"20588.82","2.dist.56":"37749.6","3.dist.56":"20553.54","5.dist.56":"65197.44","6.dist.56":"55483.68","7.dist.56":"67405.38","8.dist.56":"23258.34"},{"Metabolite":"DG (40:6)","1.prox.56":"239404.2","2.prox.56":"210368.76","3.prox.56":"199828.86","5.prox.56":"142007.88","6.prox.56":"164825.22","7.prox.56":"51808.68","8.prox.56":"201760.44","1.dist.56":"122559.78","2.dist.56":"148420.02","3.dist.56":"60672.78","5.dist.56":"164237.22","6.dist.56":"178319.82","7.dist.56":"184364.46","8.dist.56":"95820.48"},{"Metabolite":"DG (40:7)","1.prox.56":"105828.24","2.prox.56":"59349.78","3.prox.56":"68034.54","5.prox.56":"91848.54","6.prox.56":"84486.78","7.prox.56":"26809.86","8.prox.56":"71103.9","1.dist.56":"34415.64","2.dist.56":"50024.1","3.dist.56":"29520.54","5.dist.56":"127972.32","6.dist.56":"79862.16","7.dist.56":"86015.58","8.dist.56":"42453.6"},{"Metabolite":"Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0)","1.prox.56":"7993.86","2.prox.56":"6679.68","3.prox.56":"7585.2","5.prox.56":"7223.58","6.prox.56":"9604.98","7.prox.56":"","8.prox.56":"7305.9","1.dist.56":"","2.dist.56":"","3.dist.56":"","5.dist.56":"8390.76","6.dist.56":"7982.1","7.dist.56":"6650.28","8.dist.56":"6820.8"},{"Metabolite":"LPC (16:0)","1.prox.56":"1489039.44","2.prox.56":"1368234.84","3.prox.56":"1039087.14","5.prox.56":"1222263.84","6.prox.56":"1158806.88","7.prox.56":"1864230.48","8.prox.56":"1453074.42","1.dist.56":"848925","2.dist.56":"3156222.3","3.dist.56":"6908617.8","5.dist.56":"1485155.7","6.dist.56":"1185008.16","7.dist.56":"1602649.86","8.dist.56":"3795904.56"},{"Metabolite":"LPC (18:0)","1.prox.56":"1695042.3","2.prox.56":"1544273.22","3.prox.56":"1237734.12","5.prox.56":"1456252.56","6.prox.56":"1533495.18","7.prox.56":"1348360.44","8.prox.56":"1769045.04","1.dist.56":"1060046.4","2.dist.56":"1818716.34","3.dist.56":"2818716.18","5.dist.56":"1698070.5","6.dist.56":"1683382.26","7.dist.56":"1774151.82","8.dist.56":"2601547.2"},{"Metabolite":"LPC (18:1)","1.prox.56":"107439.36","2.prox.56":"86194.92","3.prox.56":"71985.9","5.prox.56":"97999.02","6.prox.56":"90069.84","7.prox.56":"160018.32","8.prox.56":"97710.9","1.dist.56":"140196.84","2.dist.56":"290892.42","3.dist.56":"446465.46","5.dist.56":"173013.12","6.dist.56":"101653.44","7.dist.56":"121189.74","8.dist.56":"403459.14"},{"Metabolite":"LPC (18:2)","1.prox.56":"208378.38","2.prox.56":"152294.94","3.prox.56":"142175.46","5.prox.56":"203142.24","6.prox.56":"187375.02","7.prox.56":"152965.26","8.prox.56":"192258.36","1.dist.56":"70718.76","2.dist.56":"194087.04","3.dist.56":"265887.72","5.dist.56":"127987.02","6.dist.56":"72503.34","7.dist.56":"181098.12","8.dist.56":"268713.06"},{"Metabolite":"LPC (20:0)","1.prox.56":"19412.82","2.prox.56":"17613.54","3.prox.56":"15479.1","5.prox.56":"15864.24","6.prox.56":"20741.7","7.prox.56":"18351.48","8.prox.56":"20068.44","1.dist.56":"14517.72","2.dist.56":"18730.74","3.dist.56":"19724.46","5.dist.56":"25236.96","6.dist.56":"31893.12","7.dist.56":"23458.26","8.dist.56":"26648.16"},{"Metabolite":"LPC (20:4)","1.prox.56":"41356.98","2.prox.56":"31116.96","3.prox.56":"30570.12","5.prox.56":"30805.32","6.prox.56":"42459.48","7.prox.56":"46757.76","8.prox.56":"42512.4","1.dist.56":"20530.02","2.dist.56":"78142.26","3.dist.56":"129357.06","5.dist.56":"33560.1","6.dist.56":"24116.82","7.dist.56":"43667.82","8.dist.56":"77704.2"},{"Metabolite":"LPC (22:6)","1.prox.56":"15217.44","2.prox.56":"10190.04","3.prox.56":"11148.48","5.prox.56":"17057.88","6.prox.56":"20588.82","7.prox.56":"47351.64","8.prox.56":"20774.04","1.dist.56":"16505.16","2.dist.56":"91501.62","3.dist.56":"174709.5","5.dist.56":"35615.16","6.dist.56":"16910.88","7.dist.56":"23693.46","8.dist.56":"57406.44"},{"Metabolite":"LPC (o-16:0)","1.prox.56":"","2.prox.56":"6350.4","3.prox.56":"","5.prox.56":"7176.54","6.prox.56":"14223.72","7.prox.56":"70465.92","8.prox.56":"10122.42","1.dist.56":"","2.dist.56":"12665.52","3.dist.56":"14899.92","5.dist.56":"","6.dist.56":"16558.08","7.dist.56":"29426.46","8.dist.56":"15511.44"},{"Metabolite":"LPC (p-16:0) or LPC (o-16:1)","1.prox.56":"11216.1","2.prox.56":"7826.28","3.prox.56":"6091.68","5.prox.56":"7644","6.prox.56":"9064.02","7.prox.56":"26574.66","8.prox.56":"7743.96","1.dist.56":"7032.48","2.dist.56":"10451.7","3.dist.56":"16552.2","5.dist.56":"10392.9","6.dist.56":"6850.2","7.dist.56":"9484.44","8.dist.56":"11351.34"},{"Metabolite":"PC (30:1)","1.prox.56":"8134.98","2.prox.56":"8217.3","3.prox.56":"7485.24","5.prox.56":"12359.76","6.prox.56":"12774.3","7.prox.56":"","8.prox.56":"7932.12","1.dist.56":"6826.68","2.dist.56":"9043.44","3.dist.56":"7194.18","5.dist.56":"25004.7","6.dist.56":"27236.16","7.dist.56":"10219.44","8.dist.56":"9446.22"},{"Metabolite":"PC (31:0)","1.prox.56":"93686.04","2.prox.56":"80873.52","3.prox.56":"82328.82","5.prox.56":"69048.84","6.prox.56":"121489.62","7.prox.56":"97531.56","8.prox.56":"88970.28","1.dist.56":"86103.78","2.dist.56":"137577.3","3.dist.56":"80282.58","5.dist.56":"186548.88","6.dist.56":"259954.8","7.dist.56":"131547.36","8.dist.56":"118602.54"},{"Metabolite":"PC (32:0)","1.prox.56":"4618872.3","2.prox.56":"4683458.22","3.prox.56":"4562500.74","5.prox.56":"3550599.78","6.prox.56":"5594085","7.prox.56":"2673947.64","8.prox.56":"4871188.98","1.dist.56":"2565837.96","2.dist.56":"3940229.16","3.dist.56":"2674465.08","5.dist.56":"5606174.28","6.dist.56":"7128479.82","7.dist.56":"5761074.06","8.dist.56":"3681879.6"},{"Metabolite":"PC 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(56:8)","1.prox.56":"334142.76","2.prox.56":"517457.64","3.prox.56":"384466.74","5.prox.56":"158507.16","6.prox.56":"512418.48","7.prox.56":"143327.94","8.prox.56":"426476.4","1.dist.56":"276586.38","2.dist.56":"1017260.58","3.dist.56":"505768.2","5.dist.56":"2702218.68","6.dist.56":"2093253.54","7.dist.56":"234856.02","8.dist.56":"519262.8"},{"Metabolite":"TG (58:1)","1.prox.56":"42741.72","2.prox.56":"36855.84","3.prox.56":"50529.78","5.prox.56":"80132.64","6.prox.56":"114442.44","7.prox.56":"36306.06","8.prox.56":"107092.44","1.dist.56":"44270.52","2.dist.56":"118023.36","3.dist.56":"51646.98","5.dist.56":"406455","6.dist.56":"344656.2","7.dist.56":"58617.72","8.dist.56":"124215"},{"Metabolite":"TG (58:10)","1.prox.56":"167809.32","2.prox.56":"215810.7","3.prox.56":"140887.74","5.prox.56":"67114.32","6.prox.56":"154117.74","7.prox.56":"68096.28","8.prox.56":"144439.26","1.dist.56":"127493.1","2.dist.56":"334792.5","3.dist.56":"194628","5.dist.56":"729843.24","6.dist.56":"739856.88","7.dist.56":"83522.46","8.dist.56":"229134.78"},{"Metabolite":"TG (58:2)","1.prox.56":"57923.88","2.prox.56":"51864.54","3.prox.56":"89672.94","5.prox.56":"103964.28","6.prox.56":"294802.62","7.prox.56":"66452.82","8.prox.56":"257641.02","1.dist.56":"110491.08","2.dist.56":"285718.02","3.dist.56":"102385.5","5.dist.56":"1544790.66","6.dist.56":"1051814.4","7.dist.56":"102176.76","8.dist.56":"308529.48"},{"Metabolite":"TG (58:3)","1.prox.56":"31978.38","2.prox.56":"30955.26","3.prox.56":"54022.5","5.prox.56":"46360.86","6.prox.56":"215940.06","7.prox.56":"36620.64","8.prox.56":"168100.38","1.dist.56":"77765.94","2.dist.56":"218541.96","3.dist.56":"69648.6","5.dist.56":"1388476.74","6.dist.56":"870930.9","7.dist.56":"55504.26","8.dist.56":"233794.68"},{"Metabolite":"TG (58:4)","1.prox.56":"7144.2","2.prox.56":"6944.28","3.prox.56":"22585.08","5.prox.56":"13741.56","6.prox.56":"91466.34","7.prox.56":"8049.72","8.prox.56":"73999.8","1.dist.56":"32636.94","2.dist.56":"81755.52","3.dist.56":"20821.08","5.dist.56":"401977.38","6.dist.56":"283033.8","7.dist.56":"18786.6","8.dist.56":"90252.12"},{"Metabolite":"TG 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(60:2)","1.prox.56":"33245.52","2.prox.56":"29694","3.prox.56":"47983.74","5.prox.56":"51741.06","6.prox.56":"129968.58","7.prox.56":"38181.78","8.prox.56":"123953.34","1.dist.56":"59584.98","2.dist.56":"145812.24","3.dist.56":"59132.22","5.dist.56":"653767.8","6.dist.56":"501705.12","7.dist.56":"49195.02","8.dist.56":"170052.54"}],

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(d42:1)","Identifier":"8.57_672.63_8.58_650.64","m/z":"672.6251_650.6440","RT":"8.572","Adduct":"[M+Na]+_[M+H]+","InChI Key":"ZJVVOYPTFQEGPH-AUTSUKAISA-N","Molecular Formula":"C42H83NO3"},{"Metabolite":"Ceramide (d42:2)","Identifier":"7.91_670.61","m/z":"670.6101","RT":"7.913","Adduct":"[M+Na]+","InChI Key":"VJSBNBBOSZJDKB-KPEYJIHVSA-N","Molecular Formula":"C42H81NO3"},{"Metabolite":"DG (34:1)","Identifier":"7.16_617.51_7.17_612.56","m/z":"617.5118_612.5560","RT":"7.166","Adduct":"[M+Na]+_[M+NH4]+","InChI Key":"YEJYLHKQOBOSCP-OZKTZCCCSA-N","Molecular Formula":"C37H70O5"},{"Metabolite":"DG (34:2)","Identifier":"6.62_615.50_6.62_610.54","m/z":"615.4962_610.5411","RT":"6.621","Adduct":"[M+Na]+_[M+NH4]+","InChI Key":"SVXWJFFKLMLOHO-YAIZGCQRSA-N","Molecular Formula":"C37H68O5"},{"Metabolite":"DG (36:1)","Identifier":"7.83_640.59_7.85_645.54","m/z":"640.5874_645.5446","RT":"7.8405","Adduct":"[M+NH4]+","InChI Key":"SAEPUUXWQQNLGN-LVVMQYBKSA-N","Molecular Formula":"C39H74O5"},{"Metabolite":"DG (36:3)","Identifier":"6.67_641.51_6.68_636.56","m/z":"641.5117_636.5561","RT":"6.6745","Adduct":"[M+Na]+_[M+NH4]+","InChI Key":"BLZVZPYMHLXLHG-JOBMVARSSA-N","Molecular Formula":"C41H68O5"},{"Metabolite":"DG (36:4)","Identifier":"6.14_634.54_6.14_639.50","m/z":"634.5403_639.4959","RT":"6.1375","Adduct":"[M+NH4]+_[M+Na]+","InChI Key":"MQGBAQLIFKSMEM-ZHARMHCNSA-N","Molecular Formula":"C39H68O5"},{"Metabolite":"DG (38:5)","Identifier":"6.53_665.51","m/z":"665.5108","RT":"6.533","Adduct":"[M+Na]+","InChI Key":"GRGDLDNREYVILP-CNWVQWJYSA-N","Molecular Formula":"C41H70O5"},{"Metabolite":"DG (38:6)","Identifier":"6.26_658.54","m/z":"658.54","RT":"6.26","Adduct":"[M+NH4]+","InChI Key":"BXVYQJJBMVVALQ-VVSMSMGFSA-N","Molecular Formula":"C41H68O5"},{"Metabolite":"DG (40:6)","Identifier":"6.96_691.53_6.96_686.57","m/z":"691.5269_686.5719","RT":"6.958","Adduct":"[M+Na]+_[M+NH4]+","InChI Key":"LBDXVTOFXXDOGH-KXYFHQNYSA-N","Molecular Formula":"C43H72O5"},{"Metabolite":"DG (40:7)","Identifier":"6.31_689.51_6.31_684.56","m/z":"689.5113_684.5559","RT":"6.3085","Adduct":"[M+Na]+_[M+NH4]+","InChI Key":"ZILMKERHGSKQBG-PNCFOYGISA-N","Molecular Formula":"C43H70O5"},{"Metabolite":"Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/16:0)","Identifier":"4.95_862.62","m/z":"862.6189","RT":"4.953","Adduct":"[M+H]+","InChI Key":"HLIJNIKSBCIDGO-QKLMXXKVSA-N","Molecular Formula":"C46H87NO13"},{"Metabolite":"LPC (16:0)","Identifier":"1.63_496.34_1.64_518.32","m/z":"496.3401_518.3217","RT":"1.635","Adduct":"[M+H]+","InChI Key":"ASWBNKHCZGQVJV-UHFFFAOYSA-N","Molecular Formula":"C24H50NO7P"},{"Metabolite":"LPC (18:0)","Identifier":"2.43_524.37_2.43_546.35","m/z":"524.3714_546.3532","RT":"2.43","Adduct":"[M+H]+","InChI Key":"IHNKQIMGVNPMTC-RUZDIDTESA-N","Molecular Formula":"C26H54NO7P"},{"Metabolite":"LPC (18:1)","Identifier":"1.79_522.36","m/z":"522.3555","RT":"1.79","Adduct":"[M+H]+","InChI Key":"YAMUFBLWGFFICM-PTGWMXDISA-N","Molecular Formula":"C26H52NO7P"},{"Metabolite":"LPC (18:2)","Identifier":"1.30_520.34_1.29_542.32","m/z":"520.3396_542.3220","RT":"1.296","Adduct":"[M+H]+","InChI Key":"SPJFYYJXNPEZDW-FTJOPAKQSA-N","Molecular Formula":"C26H50NO7P"},{"Metabolite":"LPC (20:0)","Identifier":"3.15_552.40","m/z":"552.4028","RT":"3.151","Adduct":"[M+H]+","InChI Key":"UATOAILWGVYRQS-HHHXNRCGSA-N","Molecular Formula":"C28H58NO7P"},{"Metabolite":"LPC (20:4)","Identifier":"1.26_544.34","m/z":"544.3396","RT":"1.256","Adduct":"[M+H]+","InChI Key":"LAXQYRRMGGEGOH-JXRLJXCWSA-N","Molecular Formula":"C28H50NO7P"},{"Metabolite":"LPC (22:6)","Identifier":"1.21_568.34","m/z":"568.3397","RT":"1.21","Adduct":"[M+H]+","InChI Key":"LSOWKZULVQWMLY-APPDJCNMSA-N","Molecular Formula":"C30H50NO7P"},{"Metabolite":"LPC (o-16:0)","Identifier":"1.91_482.36","m/z":"482.3613","RT":"1.913","Adduct":"[M+H]+","InChI Key":"VLBPIWYTPAXCFJ-XMMPIXPASA-N","Molecular Formula":"C24H52NO6P"},{"Metabolite":"LPC (p-16:0) or LPC (o-16:1)","Identifier":"1.84_480.34","m/z":"480.3417","RT":"1.837","Adduct":"[M+H]+","InChI Key":"PLQWZMJRHVARFU-NFPSEPLVSA-N","Molecular Formula":"C24H50NO6P"},{"Metabolite":"PC (30:1)","Identifier":"4.49_704.52","m/z":"704.5237","RT":"4.491","Adduct":"[M+H]+","InChI Key":"RHCWZMAZVBVICJ-IZNHTBNISA-N","Molecular Formula":"C38H74NO8P"},{"Metabolite":"PC (31:0)","Identifier":"5.34_720.55","m/z":"720.5541","RT":"5.341","Adduct":"[M+H]+","InChI Key":"LLHISNQVRRYJGL-DIPNUNPCSA-N","Molecular Formula":"C39H78NO8P"},{"Metabolite":"PC (32:0)","Identifier":"5.68_734.57_5.69_756.55","m/z":"734.5705_756.5517","RT":"5.682","Adduct":"[M+H]+","InChI Key":"KILNVBDSWZSGLL-KXQOOQHDSA-N","Molecular Formula":"C40H80NO8P"},{"Metabolite":"PC (32:1)","Identifier":"5.09_732.55_5.10_754.54","m/z":"732.5541_754.5362","RT":"5.097","Adduct":"[M+H]+","InChI Key":"QIBZFHLFHCIUOT-NPBIGWJUSA-N","Molecular Formula":"C40H78NO8P"},{"Metabolite":"PC (32:2)","Identifier":"4.62_730.54_4.62_752.52","m/z":"730.5377_752.5198","RT":"4.619","Adduct":"[M+H]+","InChI Key":"GPWHCUUIQMGELX-VHQDNGOZSA-N","Molecular Formula":"C40H76NO8P"},{"Metabolite":"PC (33:1)","Identifier":"5.43_746.57","m/z":"746.5691","RT":"5.428","Adduct":"[M+H]+","InChI Key":"WUSDPFVBZAKNBL-IMZFPPOWSA-N","Molecular Formula":"C41H80NO8P"},{"Metabolite":"PC (33:2)","Identifier":"4.93_744.55","m/z":"744.5534","RT":"4.925","Adduct":"[M+H]+","InChI Key":"SBNDHGBVMZMSNL-UESLNCBNSA-N","Molecular Formula":"C41H78NO8P"},{"Metabolite":"PC (34:0)","Identifier":"6.35_762.60_6.36_784.58","m/z":"762.6012_784.5823","RT":"6.3515","Adduct":"[M+H]+","InChI Key":"PZNPLUBHRSSFHT-RRHRGVEJSA-N","Molecular Formula":"C42H84NO8P"},{"Metabolite":"PC (34:2) A","Identifier":"5.25_758.57_5.25_780.55","m/z":"758.5697_780.5528","RT":"5.2475","Adduct":"[M+H]+_[M+Na]+","InChI Key":"JLPULHDHAOZNQI-ZTIMHPMXSA-N","Molecular Formula":"C42H80NO8P"},{"Metabolite":"PC (34:2) B","Identifier":"5.38_780.56","m/z":"780.5592","RT":"5.377","Adduct":"[M+Na]+","InChI Key":"JLPULHDHAOZNQI-ZTIMHPMXSA-N","Molecular Formula":"C42H80NO8P"},{"Metabolite":"PC (34:3)","Identifier":"4.82_756.55","m/z":"756.5537","RT":"4.825","Adduct":"[M+H]+","InChI Key":"SSQFWAKSSUYHFV-YVTPCJIFSA-N","Molecular Formula":"C40H80NO8P"},{"Metabolite":"PC (34:4)","Identifier":"4.53_754.54","m/z":"754.5378","RT":"4.528","Adduct":"[M+H]+","InChI Key":"BXZPYXMUABUWBT-JAHIUHDMSA-N","Molecular Formula":"C42H76NO8P"},{"Metabolite":"PC (35:1)","Identifier":"6.08_774.60","m/z":"774.5998","RT":"6.081","Adduct":"[M+H]+","InChI Key":"VATZLDBYQIOABD-HFWGUVFESA-N","Molecular Formula":"C43H84NO8P"},{"Metabolite":"PC (35:2)","Identifier":"5.57_772.58","m/z":"772.584","RT":"5.566","Adduct":"[M+H]+","InChI Key":"LNGBVAOHJZCRIL-GPDPEMMZSA-N","Molecular Formula":"C43H82NO8P"},{"Metabolite":"PC (35:3)","Identifier":"5.02_770.57","m/z":"770.5681","RT":"5.02","Adduct":"[M+H]+","InChI Key":"CWPIHLOOVWJHLK-HEQWELKFSA-N","Molecular Formula":"C43H80NO8P"},{"Metabolite":"PC (35:4)","Identifier":"4.83_768.55","m/z":"768.5532","RT":"4.834","Adduct":"[M+H]+","InChI Key":"AWUXYTGHWWSMNI-WRMCHHCUSA-N","Molecular Formula":"C43H78NO8P"},{"Metabolite":"PC (36:1)","Identifier":"6.42_788.62_6.42_810.60","m/z":"788.6158_810.6001","RT":"6.4235","Adduct":"[M+H]+_[M+H]+","InChI Key":"ATHVAWFAEPLPPQ-VRDBWYNSSA-N","Molecular Formula":"C44H86NO8P"},{"Metabolite":"PC (36:2)","Identifier":"5.90_786.60","m/z":"786.6017","RT":"5.901","Adduct":"[M+H]+","InChI Key":"SNKAWJBJQDLSFF-NVKMUCNASA-N","Molecular Formula":"C44H84NO8P"},{"Metabolite":"PC (36:3) B","Identifier":"5.32_784.58","m/z":"784.5805","RT":"5.321","Adduct":"[M+H]+","InChI Key":"BXRLDROZWDUSGM-ZRYFCQOPSA-N","Molecular Formula":"C44H82NO8P"},{"Metabolite":"PC (36:4) A","Identifier":"5.14_804.55_5.14_782.57","m/z":"804.5521_782.5682","RT":"5.1425","Adduct":"[M+H]+","InChI Key":"VRXRAEQYIWJLSH-OCTHSLKYSA-N","Molecular Formula":"C47H86NO8P"},{"Metabolite":"PC (36:4) B","Identifier":"5.74_760.58_5.74_782.57","m/z":"760.5814_782.5684","RT":"5.7405","Adduct":"[M+H]+","InChI Key":"","Molecular Formula":""},{"Metabolite":"PC (36:5)","Identifier":"4.74_780.55_4.74_802.54","m/z":"780.5532_802.5363","RT":"4.7365","Adduct":"[M+H]+","InChI Key":"SUZYROYNFNQALJ-MHEIZRSESA-N","Molecular Formula":"C44H78NO8P"},{"Metabolite":"PC (36:6)","Identifier":"4.36_778.54","m/z":"778.5381","RT":"4.364","Adduct":"[M+H]+","InChI Key":"SPWBDEZMKCRQSX-NGPPOSSDSA-N","Molecular Formula":"C44H76NO8P"},{"Metabolite":"PC (37:2)","Identifier":"6.24_800.61","m/z":"800.6128","RT":"6.239","Adduct":"[M+H]+","InChI Key":"MCZUABDVGPPWPM-HJTCUGKVSA-N","Molecular Formula":"C45H86NO8P"},{"Metabolite":"PC (37:3)","Identifier":"5.68_798.59","m/z":"798.5931","RT":"5.678","Adduct":"[M+H]+","InChI Key":"OOYQEEUUQRMQKL-JUUDQZDJSA-N","Molecular Formula":"C45H84NO8P"},{"Metabolite":"PC 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(54:1)","Identifier":"11.80_906.85_11.80_911.80","m/z":"906.8482_911.8046","RT":"11.8015","Adduct":"[M+NH4]+_[M+Na]+","InChI Key":"YFFIQXNTTVSKJC-NZEOUKRFSA-N","Molecular Formula":"C57H108O6"},{"Metabolite":"TG (54:2)","Identifier":"11.48_904.83_11.49_909.79","m/z":"904.8323_909.7888","RT":"11.486","Adduct":"[M+NH4]+_[M+Na]+","InChI Key":"RYNHWWNZNIGDAQ-WGSDILPMSA-N","Molecular Formula":"C57H106O6"},{"Metabolite":"TG (54:3)","Identifier":"11.12_902.82_11.15_907.77","m/z":"902.8161_907.7732","RT":"11.1375","Adduct":"[M+NH4]+_[M+Na]+","InChI Key":"PHYFQTYBJUILEZ-IUPFWZBJSA-N","Molecular Formula":"C57H104O6"},{"Metabolite":"TG (54:4)","Identifier":"10.77_900.80_10.78_905.76","m/z":"900.7996_905.7581","RT":"10.776","Adduct":"[M+NH4]+_[M+Na]+","InChI Key":"BRLGHZXETDWABO-NOFIOOQLSA-N","Molecular Formula":"C57H102O6"},{"Metabolite":"TG (54:5)","Identifier":"10.39_898.78_10.39_903.74","m/z":"898.7842_903.7411","RT":"10.3915","Adduct":"[M+NH4]+_[M+Na]+","InChI Key":"VVEBTVMJPTZDHO-YQFZQLSNSA-N","Molecular Formula":"C57H100O6"},{"Metabolite":"TG (54:6)","Identifier":"10.00_901.73_10.00_896.77","m/z":"901.7258_896.7694","RT":"10.0015","Adduct":"[M+Na]+_[M+NH4]+","InChI Key":"HBOQXIRUPVQLKX-BBWANDEASA-N","Molecular Formula":"C57H98O6"},{"Metabolite":"TG (54:7)","Identifier":"9.62_894.75_9.64_899.71","m/z":"894.7547_899.7143","RT":"9.6325","Adduct":"[M+NH4]+_[M+Na]+","InChI Key":"GBDGUGNAHCFRDF-HCMATFEHSA-N","Molecular Formula":"C57H96O6"},{"Metabolite":"TG (55:3)","Identifier":"11.31_916.83","m/z":"916.8321","RT":"11.31","Adduct":"[M+NH4]+","InChI Key":"AFJMFAQYZRZRJI-TYSGSQAUSA-N","Molecular Formula":"C58H110O6"},{"Metabolite":"TG (56:1)","Identifier":"11.96_934.88_11.96_939.83","m/z":"934.8792_939.8344","RT":"11.9645","Adduct":"[M+NH4]+_[M+Na]+","InChI Key":"OCYFAHIHWCVZKS-FHSLLVMSSA-N","Molecular Formula":"C59H112O6"},{"Metabolite":"TG (56:2)","Identifier":"11.80_932.86_11.80_937.82","m/z":"932.8645_937.8209","RT":"11.8015","Adduct":"[M+NH4]+_[M+Na]+","InChI Key":"PDEQUPGHMOMBFC-FYEHETCMSA-N","Molecular Formula":"C59H110O6"},{"Metabolite":"TG (56:3)","Identifier":"11.48_930.85_11.50_935.81","m/z":"930.8479_935.8054","RT":"11.491","Adduct":"[M+NH4]+_[M+Na]+","InChI Key":"QXMHHXQBBKDSSL-BAQZNRHJSA-N","Molecular Formula":"C59H108O6"},{"Metabolite":"TG (56:4)","Identifier":"11.17_933.79_11.14_928.83","m/z":"933.7908_928.8278","RT":"11.154","Adduct":"[M+Na]+_[M+NH4]+","InChI Key":"YONCDTJKIZDSKQ-IYASBODOSA-N","Molecular Formula":"C59H106O7"},{"Metabolite":"TG (56:5)","Identifier":"10.88_931.78_10.81_926.81","m/z":"931.7804_926.809","RT":"10.847","Adduct":"[M+Na]+_[M+NH4]+","InChI Key":"YONCDTJKIZDSKQ-IYASBODOSA-N","Molecular Formula":"C59H106O7"},{"Metabolite":"TG (56:6)","Identifier":"10.63_929.76_10.67_924.80","m/z":"929.7572_924.7986","RT":"10.6485","Adduct":"[M+Na]+_[M+NH4]+","InChI Key":"YONCDTJKIZDSKQ-IYASBODOSA-N","Molecular Formula":"C59H106O7"},{"Metabolite":"TG (56:7)","Identifier":"10.29_927.74","m/z":"927.7413","RT":"10.285","Adduct":"[M+Na]+","InChI Key":"DODZUDCYRVWEOJ-GKZBLMSTSA-N","Molecular Formula":"C59H100O6"},{"Metabolite":"TG (56:8)","Identifier":"10.04_920.77_10.05_925.73","m/z":"920.7687_925.7288","RT":"10.0415","Adduct":"[M+NH4]+_[M+Na]+","InChI Key":"UBGUHMDKBGQUND-VPFWBQFRSA-N","Molecular Formula":"C59H98O6"},{"Metabolite":"TG (58:1)","Identifier":"12.06_967.87_12.07_962.91","m/z":"967.8670_962.9102","RT":"12.064","Adduct":"[M+Na]+_[M+NH4]+","InChI Key":"OWZMHFAFGQCCNI-FBXRAONGSA-N","Molecular Formula":"C61H116O6"},{"Metabolite":"TG (58:10)","Identifier":"9.66_944.77_9.66_949.73","m/z":"944.7703_949.7268","RT":"9.6615","Adduct":"[M+NH4]+_[M+Na]+","InChI Key":"","Molecular Formula":"C61H98O6"},{"Metabolite":"TG (58:2)","Identifier":"11.97_960.89_11.97_965.85","m/z":"960.8933_965.8507","RT":"11.968","Adduct":"[M+NH4]+_[M+Na]+","InChI Key":"GXWBCAVCOMAOHT-VMCJOIRWSA-N","Molecular Formula":"C61H114O6"},{"Metabolite":"TG (58:3)","Identifier":"11.81_958.88_11.82_963.84","m/z":"958.8806_963.8371","RT":"11.8175","Adduct":"[M+NH4]+_[M+Na]+","InChI Key":"RFMSTHTUAZETPD-JJPHLYBUSA-N","Molecular Formula":"C61H112O6"},{"Metabolite":"TG (58:4)","Identifier":"11.49_956.86","m/z":"956.8634","RT":"11.492","Adduct":"[M+NH4]+","InChI Key":"CCKRHDUCFMOBKX-AAINFQTBSA-N","Molecular Formula":"C61H110O6"},{"Metabolite":"TG (58:6)","Identifier":"10.91_957.79_10.86_952.83","m/z":"957.7923_952.827","RT":"10.882","Adduct":"[M+Na]+_[M+NH4]+","InChI Key":"YONCDTJKIZDSKQ-IYASBODOSA-N","Molecular Formula":"C59H106O7"},{"Metabolite":"TG (58:8) A","Identifier":"10.48_953.76","m/z":"953.7575","RT":"10.481","Adduct":"[M+Na]+","InChI Key":"KWIGMCRWEINBIR-HUPVKWKYSA-N","Molecular Formula":"C61H102O6"},{"Metabolite":"TG (58:8) B","Identifier":"10.12_948.79","m/z":"948.7935","RT":"10.116","Adduct":"[M+NH4]+","InChI Key":"KWIGMCRWEINBIR-HUPVKWKYSA-N","Molecular Formula":"C61H102O6"},{"Metabolite":"TG (58:9)","Identifier":"10.06_946.79_10.07_951.74","m/z":"946.7851_951.7438","RT":"10.0645","Adduct":"[M+NH4]+_[M+Na]+","InChI Key":"RVXFSLZMZOFGEQ-SWIIBWKZSA-N","Molecular Formula":"C61H100O6"},{"Metabolite":"TG (60:2)","Identifier":"12.07_988.93_12.07_993.88","m/z":"988.9274_993.8828","RT":"12.0725","Adduct":"[M+NH4]+_[M+Na]+","InChI Key":"QPNVLDQSHXVPMG-JMYPUKFOSA-N","Molecular Formula":"C63H118O6"}]
}

}