{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000342","ANALYSIS_ID":"AN000554","VERSION":"1","CREATED_ON":"February 11, 2016, 4:20 pm"},

"PROJECT":{"PROJECT_TITLE":"Renal metabolic pathways indicating ischemic or inflammatory changes","PROJECT_SUMMARY":"Tissues were acquired from kidkeys that were deemed unsuitable for transplant and were then analyzed by the lab through normothermic machine perfusion. They were perfused with either whole blood perfusate or with packed red blood cell perfusate. These tissues' metabolic pathways were then analyzed for markers of ischemic or inflammatory responses in the renal tissue","INSTITUTE":"University of California, San Diego","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":"NIH U24DK097154"},

"STUDY":{"STUDY_TITLE":"Renal metabolic pathways indicating ischemic or inflammatory changes","STUDY_SUMMARY":"Tissues were acquired from kidkeys that were deemed unsuitable for transplant and were then analyzed by the lab through normothermic machine perfusion. They were perfused with either whole blood perfusate or with packed red blood cell perfusate. These tissues' metabolic pathways were then analyzed for markers of ischemic or inflammatory responses in the renal tissue","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":"6","TOTAL_SUBJECTS":"34"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Biorec02",
"Sample ID":"Biorec02_Palma",
"Factors":{"Organ":"Plasma","Treatment":"Quality Control"}
},
{
"Subject ID":"Biorec03",
"Sample ID":"Biorec03_Palma",
"Factors":{"Organ":"Plasma","Treatment":"Quality Control"}
},
{
"Subject ID":"Biorec04",
"Sample ID":"Biorec04_Palma",
"Factors":{"Organ":"Plasma","Treatment":"Quality Control"}
},
{
"Subject ID":"Pool01",
"Sample ID":"Palm07 _Pool_50_150",
"Factors":{"Organ":"Renal Tissue","Treatment":"Quality Control"}
},
{
"Subject ID":"Pool02",
"Sample ID":"Palm08 _Pool_150_300",
"Factors":{"Organ":"Renal Tissue","Treatment":"Quality Control"}
},
{
"Subject ID":"Pool03",
"Sample ID":"Palm09 _Pool_300_500",
"Factors":{"Organ":"Renal Tissue","Treatment":"Quality Control"}
},
{
"Subject ID":"Pool04",
"Sample ID":"Palm10 _Pool_500_1600",
"Factors":{"Organ":"Renal Tissue","Treatment":"Quality Control"}
},
{
"Subject ID":"8A_T1",
"Sample ID":"Palm25 _8A_T1_001",
"Factors":{"Organ":"Renal Tissue","Treatment":"WB"}
},
{
"Subject ID":"8A_T2",
"Sample ID":"Palm28 _8A_T2_002",
"Factors":{"Organ":"Renal Tissue","Treatment":"WB"}
},
{
"Subject ID":"8B_T1",
"Sample ID":"Palm26 _8B_T1_003",
"Factors":{"Organ":"Renal Tissue","Treatment":"PRBC"}
},
{
"Subject ID":"8B_T2",
"Sample ID":"Palm16 _8B_T2_004",
"Factors":{"Organ":"Renal Tissue","Treatment":"PRBC"}
},
{
"Subject ID":"9A_T1",
"Sample ID":"Palm11 _9A_T1_005",
"Factors":{"Organ":"Renal Tissue","Treatment":"WB"}
},
{
"Subject ID":"9A_T2",
"Sample ID":"Palm17 _9A_T2_006",
"Factors":{"Organ":"Renal Tissue","Treatment":"WB"}
},
{
"Subject ID":"9B_T1",
"Sample ID":"Palm21 _9B_T1_007",
"Factors":{"Organ":"Renal Tissue","Treatment":"PRBC"}
},
{
"Subject ID":"9B_T2",
"Sample ID":"Palm22 _9B_T2_008",
"Factors":{"Organ":"Renal Tissue","Treatment":"PRBC"}
},
{
"Subject ID":"10A_T1",
"Sample ID":"Palm13 _10A_T1_009",
"Factors":{"Organ":"Renal Tissue","Treatment":"WB"}
},
{
"Subject ID":"10A_T2",
"Sample ID":"Palm20 _10A_T2_010",
"Factors":{"Organ":"Renal Tissue","Treatment":"WB"}
},
{
"Subject ID":"10B_T1",
"Sample ID":"Palm34 _10B_T1_011",
"Factors":{"Organ":"Renal Tissue","Treatment":"PRBC"}
},
{
"Subject ID":"10B_T2",
"Sample ID":"Palm33 _10B_T2_012",
"Factors":{"Organ":"Renal Tissue","Treatment":"PRBC"}
},
{
"Subject ID":"11A_T1",
"Sample ID":"Palm36 _11A_T1_013",
"Factors":{"Organ":"Renal Tissue","Treatment":"WB"}
},
{
"Subject ID":"11A_T2",
"Sample ID":"Palm18 _11A_T2_014",
"Factors":{"Organ":"Renal Tissue","Treatment":"WB"}
},
{
"Subject ID":"11B_T1",
"Sample ID":"Palm32 _11B_T1_015",
"Factors":{"Organ":"Renal Tissue","Treatment":"PRBC"}
},
{
"Subject ID":"11B_T2",
"Sample ID":"Palm27 _11B_T2_016",
"Factors":{"Organ":"Renal Tissue","Treatment":"PRBC"}
},
{
"Subject ID":"29_T0",
"Sample ID":"Palm31 _29_T0_017",
"Factors":{"Organ":"Renal Tissue","Treatment":"WB"}
},
{
"Subject ID":"29_T6",
"Sample ID":"Palm14 _29_T6_018",
"Factors":{"Organ":"Renal Tissue","Treatment":"WB"}
},
{
"Subject ID":"28A_T0",
"Sample ID":"Palm15 _28A_T0_019",
"Factors":{"Organ":"Renal Tissue","Treatment":"PRBC+FST"}
},
{
"Subject ID":"28A_T2",
"Sample ID":"Palm29 _28A_T2_020",
"Factors":{"Organ":"Renal Tissue","Treatment":"PRBC+FST"}
},
{
"Subject ID":"28A_T4",
"Sample ID":"Palm24 _28A_T4_021",
"Factors":{"Organ":"Renal Tissue","Treatment":"PRBC+FST"}
},
{
"Subject ID":"28A_T6",
"Sample ID":"Palm19 _28A_T6_022",
"Factors":{"Organ":"Renal Tissue","Treatment":"PRBC+FST"}
},
{
"Subject ID":"28B_T0",
"Sample ID":"Palm12 _28B_T0_023",
"Factors":{"Organ":"Renal Tissue","Treatment":"PRBC-FST"}
},
{
"Subject ID":"28B_T2",
"Sample ID":"Palm35 _28B_T2_024",
"Factors":{"Organ":"Renal Tissue","Treatment":"PRBC-FST"}
},
{
"Subject ID":"28B_T4",
"Sample ID":"Palm30 _28B_T4_025",
"Factors":{"Organ":"Renal Tissue","Treatment":"PRBC-FST"}
},
{
"Subject ID":"28B_T6",
"Sample ID":"Palm23 _28B_T6_026",
"Factors":{"Organ":"Renal Tissue","Treatment":"PRBC-FST"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Samples are renal tissues samples. These are from kidneys that were deemed unsuitable for transplantation and discarded. After being discarded these kidneys were brought to our lab where we conducted normothermic machine perfusion on them, where they were perfused with a blood based perfusate to analyze function. The samples are core needle biopsies taken by a surgical instrument. The samples were then snap frozen in liquid nitrogen and stored in -80C till analysis.","COLLECTION_PROTOCOL_FILENAME":"StudyDesign_IvonnePalma_090815.pdf","SAMPLE_TYPE":"Renal Tissue"},

"TREATMENT":{"TREATMENT_SUMMARY":"Human 8A/B, 9A/B, 10A/B, 11A/B were perfused with either a Whole Blood perfusate or a Packed Red Blood Cells. We had previously sent samples from this group but we want to analyze other time points from this group. Group A was perfused with a whole blood perfusate while Group B was perfused with a packed red blood cell perfusate. Human 29 was perfused with a whole blood perfusate and this is from a pediatric patient. We are trying to compare young and old donors and we had previously submitted other pediatric patients. Huma 28A and B were perfused with a packed red blood perfusate. 28A was given Furosemide (a diuretic) to test urine output with acute kidney injury, Human 28B was not given the Furosemide since it is a control.","TREATMENT_PROTOCOL_FILENAME":"StudyDesign_IvonnePalma_090815.pdf"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"None","SAMPLEPREP_PROTOCOL_FILENAME":"Sample_Prep_Ivonne_Palma_mx_234649.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"UPLC","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 6530","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","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":"Same","TARGET_SAMPLE_TEMPERATURE":"Autosampler temp 4 C","RANDOMIZATION_ORDER":"Excel"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6550 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Lipidomics runs are MS1 data; Identifications made from pooled MS/MS runs Lipidomics runs are performed in negative and positve mode (two filenames)","CAPILLARY_VOLTAGE":"3500","COLLISION_GAS":"Nitrogen","DRY_GAS_FLOW":"8 l/min","DRY_GAS_TEMP":"325","FRAGMENT_VOLTAGE":"175","FRAGMENTATION_METHOD":"Auto MS/MS","ION_SOURCE_TEMPERATURE":"200","ION_SPRAY_VOLTAGE":"1000","IONIZATION":"Neg","PRECURSOR_TYPE":"Intact Molecule","REAGENT_GAS":"Nitrogen","SOURCE_TEMPERATURE":"325 C","DATAFORMAT":".d","DESOLVATION_GAS_FLOW":"11 l/min","DESOLVATION_TEMPERATURE":"350 C","NEBULIZER":"35 psig","OCTPOLE_VOLTAGE":"750","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":"iSTD iSTD Ceramide (d18:1/17:0)","Biorec02_Palma":"240130","Biorec03_Palma":"230098","Biorec04_Palma":"237266","Palm07 _Pool_50_150":"75875","Palm08 _Pool_150_300":"86510","Palm09 _Pool_300_500":"79241","Palm10 _Pool_500_1600":"82615","Palm25 _8A_T1_001":"246901","Palm28 _8A_T2_002":"255954","Palm26 _8B_T1_003":"269751","Palm16 _8B_T2_004":"273872","Palm11 _9A_T1_005":"291024","Palm17 _9A_T2_006":"287109","Palm21 _9B_T1_007":"257651","Palm22 _9B_T2_008":"253953","Palm13 _10A_T1_009":"287525","Palm20 _10A_T2_010":"251355","Palm34 _10B_T1_011":"259813","Palm33 _10B_T2_012":"232733","Palm36 _11A_T1_013":"262165","Palm18 _11A_T2_014":"273226","Palm32 _11B_T1_015":"242912","Palm27 _11B_T2_016":"256322","Palm31 _29_T0_017":"256081","Palm14 _29_T6_018":"266927","Palm15 _28A_T0_019":"254025","Palm29 _28A_T2_020":"263889","Palm24 _28A_T4_021":"275267","Palm19 _28A_T6_022":"273560","Palm12 _28B_T0_023":"278944","Palm35 _28B_T2_024":"256068","Palm30 _28B_T4_025":"241158","Palm23 _28B_T6_026":"264909"},{"Metabolite":"iSTD iSTD Ceramide (d18:1/17:0)","Biorec02_Palma":"82866","Biorec03_Palma":"84529","Biorec04_Palma":"87648","Palm07 _Pool_50_150":"30607","Palm08 _Pool_150_300":"36602","Palm09 _Pool_300_500":"36950","Palm10 _Pool_500_1600":"35144","Palm25 _8A_T1_001":"104748","Palm28 _8A_T2_002":"133030","Palm26 _8B_T1_003":"134773","Palm16 _8B_T2_004":"136645","Palm11 _9A_T1_005":"111037","Palm17 _9A_T2_006":"112433","Palm21 _9B_T1_007":"110769","Palm22 _9B_T2_008":"89874","Palm13 _10A_T1_009":"126812","Palm20 _10A_T2_010":"125144","Palm34 _10B_T1_011":"128294","Palm33 _10B_T2_012":"112662","Palm36 _11A_T1_013":"127456","Palm18 _11A_T2_014":"97500","Palm32 _11B_T1_015":"114424","Palm27 _11B_T2_016":"95209","Palm31 _29_T0_017":"126703","Palm14 _29_T6_018":"129644","Palm15 _28A_T0_019":"127956","Palm29 _28A_T2_020":"139674","Palm24 _28A_T4_021":"134751","Palm19 _28A_T6_022":"97055","Palm12 _28B_T0_023":"117336","Palm35 _28B_T2_024":"126734","Palm30 _28B_T4_025":"117462","Palm23 _28B_T6_026":"147224"},{"Metabolite":"iSTD iSTD CUDA","Biorec02_Palma":"15554","Biorec03_Palma":"16310","Biorec04_Palma":"15505","Palm07 _Pool_50_150":"4089","Palm08 _Pool_150_300":"4685","Palm09 _Pool_300_500":"4498","Palm10 _Pool_500_1600":"5557","Palm25 _8A_T1_001":"12419","Palm28 _8A_T2_002":"12438","Palm26 _8B_T1_003":"13928","Palm16 _8B_T2_004":"13810","Palm11 _9A_T1_005":"15534","Palm17 _9A_T2_006":"14073","Palm21 _9B_T1_007":"12950","Palm22 _9B_T2_008":"14124","Palm13 _10A_T1_009":"14559","Palm20 _10A_T2_010":"12115","Palm34 _10B_T1_011":"11814","Palm33 _10B_T2_012":"11659","Palm36 _11A_T1_013":"13287","Palm18 _11A_T2_014":"12631","Palm32 _11B_T1_015":"11207","Palm27 _11B_T2_016":"12769","Palm31 _29_T0_017":"13637","Palm14 _29_T6_018":"12656","Palm15 _28A_T0_019":"11951","Palm29 _28A_T2_020":"13880","Palm24 _28A_T4_021":"14918","Palm19 _28A_T6_022":"10726","Palm12 _28B_T0_023":"13638","Palm35 _28B_T2_024":"12583","Palm30 _28B_T4_025":"13859","Palm23 _28B_T6_026":"14118"},{"Metabolite":"iSTD iSTD FA (16:0)-d3","Biorec02_Palma":"2903019","Biorec03_Palma":"3004158","Biorec04_Palma":"3037713","Palm07 _Pool_50_150":"991910","Palm08 _Pool_150_300":"973871","Palm09 _Pool_300_500":"984738","Palm10 _Pool_500_1600":"999274","Palm25 _8A_T1_001":"2670201","Palm28 _8A_T2_002":"3090549","Palm26 _8B_T1_003":"3332609","Palm16 _8B_T2_004":"3205627","Palm11 _9A_T1_005":"2980542","Palm17 _9A_T2_006":"3256624","Palm21 _9B_T1_007":"2796635","Palm22 _9B_T2_008":"2889941","Palm13 _10A_T1_009":"3156788","Palm20 _10A_T2_010":"2844585","Palm34 _10B_T1_011":"3080855","Palm33 _10B_T2_012":"2657580","Palm36 _11A_T1_013":"3153595","Palm18 _11A_T2_014":"2808421","Palm32 _11B_T1_015":"2760447","Palm27 _11B_T2_016":"2759635","Palm31 _29_T0_017":"3179207","Palm14 _29_T6_018":"2969842","Palm15 _28A_T0_019":"2847422","Palm29 _28A_T2_020":"3331695","Palm24 _28A_T4_021":"3165056","Palm19 _28A_T6_022":"2944968","Palm12 _28B_T0_023":"3028054","Palm35 _28B_T2_024":"3098845","Palm30 _28B_T4_025":"2774321","Palm23 _28B_T6_026":"3377022"},{"Metabolite":"iSTD iSTD LPC (17:0)","Biorec02_Palma":"12541","Biorec03_Palma":"13474","Biorec04_Palma":"13411","Palm07 _Pool_50_150":"3345","Palm08 _Pool_150_300":"3753","Palm09 _Pool_300_500":"4463","Palm10 _Pool_500_1600":"4474","Palm25 _8A_T1_001":"10485","Palm28 _8A_T2_002":"12211","Palm26 _8B_T1_003":"13259","Palm16 _8B_T2_004":"12789","Palm11 _9A_T1_005":"11081","Palm17 _9A_T2_006":"10200","Palm21 _9B_T1_007":"9972","Palm22 _9B_T2_008":"11445","Palm13 _10A_T1_009":"11919","Palm20 _10A_T2_010":"10187","Palm34 _10B_T1_011":"11877","Palm33 _10B_T2_012":"9585","Palm36 _11A_T1_013":"12584","Palm18 _11A_T2_014":"10596","Palm32 _11B_T1_015":"9994","Palm27 _11B_T2_016":"9918","Palm31 _29_T0_017":"12121","Palm14 _29_T6_018":"11155","Palm15 _28A_T0_019":"10256","Palm29 _28A_T2_020":"12783","Palm24 _28A_T4_021":"12272","Palm19 _28A_T6_022":"10881","Palm12 _28B_T0_023":"10712","Palm35 _28B_T2_024":"11804","Palm30 _28B_T4_025":"9916","Palm23 _28B_T6_026":"13404"},{"Metabolite":"iSTD iSTD LPE (17:1)","Biorec02_Palma":"15051","Biorec03_Palma":"16140","Biorec04_Palma":"16757","Palm07 _Pool_50_150":"5606","Palm08 _Pool_150_300":"6256","Palm09 _Pool_300_500":"6379","Palm10 _Pool_500_1600":"7269","Palm25 _8A_T1_001":"14181","Palm28 _8A_T2_002":"17459","Palm26 _8B_T1_003":"19111","Palm16 _8B_T2_004":"17414","Palm11 _9A_T1_005":"16091","Palm17 _9A_T2_006":"16980","Palm21 _9B_T1_007":"15725","Palm22 _9B_T2_008":"15568","Palm13 _10A_T1_009":"18204","Palm20 _10A_T2_010":"14997","Palm34 _10B_T1_011":"17157","Palm33 _10B_T2_012":"14018","Palm36 _11A_T1_013":"18598","Palm18 _11A_T2_014":"15081","Palm32 _11B_T1_015":"14972","Palm27 _11B_T2_016":"14786","Palm31 _29_T0_017":"18227","Palm14 _29_T6_018":"16611","Palm15 _28A_T0_019":"15559","Palm29 _28A_T2_020":"19028","Palm24 _28A_T4_021":"17701","Palm19 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