{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002778","ANALYSIS_ID":"AN004522","VERSION":"1","CREATED_ON":"July 11, 2023, 12:58 pm"},

"PROJECT":{"PROJECT_TITLE":"Cell Lineage-Guided Microanalytical Mass Spectrometry Reveals Increased Energy Metabolism and Reactive Oxygen Species in the Vertebrate Organizer","PROJECT_SUMMARY":"We performed targeted metabolomic analysis on the Spemann-Mangold Organizer (SMO) tissue in the frog (Xenopus laevis) and the remainder of dissected embryos (RE). The goal of this study is to quantify a panel of targeted metabolite intermediates from glycolysis, phosphate energy pool, and mitochondrial activity including the TCA cycle. Metabolites were extracted from the dissected tissues, reconstituted, and analyzed using liquid chromatography (LC) electrospray ionization (ESI) mass spectrometry (MS). The targeted metabolite measurements were performed on a trapped ion mobility time-of-flight mass spectrometer (timsTOF PRO, Bruker). Targeted MS assays on the metabolite intermediates produced downstream, complemented by classical fluorescence-based metabolite assays when available, revealed local oxidative stress and enrichment of reactive oxygen species (ROS) in the SMO.","INSTITUTE":"University of Maryland","DEPARTMENT":"Chemistry & Biochemistry","LAST_NAME":"Nemes","FIRST_NAME":"Peter","ADDRESS":"8051 Regents Drive, College Park, MD 20742, USA","EMAIL":"nemes@umd.edu","PHONE":"301-405-0373","FUNDING_SOURCE":"National Institutes of Health under Award no. 1R35GM124755","CONTRIBUTORS":"Aparna B. Baxi, Jie Li, Vi M. Quach, and Peter Nemes"},

"STUDY":{"STUDY_TITLE":"Cell Lineage-Guided Microanalytical Mass Spectrometry Reveals Increased Energy Metabolism and Reactive Oxygen Species in the Vertebrate Organizer","STUDY_SUMMARY":"We performed targeted metabolomic analysis on the Spemann-Mangold Organizer (SMO) tissue in the frog (Xenopus laevis) and the remainder of dissected embryos (RE). Metabolites were extracted from the dissected tissues, reconstituted, and analyzed using liquid chromatography (LC) electrospray ionization (ESI) mass spectrometry (MS). The targeted metabolite measurements were performed on a trapped ion mobility time-of-flight mass spectrometer (timsTOF PRO, Bruker).","INSTITUTE":"University of Maryland","DEPARTMENT":"Chemistry & Biochemistry","LAST_NAME":"Nemes","FIRST_NAME":"Peter","ADDRESS":"8051 Regents Drive, College Park, MD 20742, USA","EMAIL":"nemes@umd.edu","PHONE":"3014050373"},

"SUBJECT":{"SUBJECT_TYPE":"Other organism","SUBJECT_SPECIES":"Xenopus laevis","TAXONOMY_ID":"8355"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"1_1_849",
"Sample ID":"2021-02-01 JL02 SO1 MRM LM TR1_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"1","RAW_FILE_NAME":"2021-02-01 JL02 SO1 MRM LM TR1_1-C,1_1_849.d"}
},
{
"Subject ID":"1_1_850",
"Sample ID":"2021-02-01 JL03 SO1 MRM LM TR2_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"1","RAW_FILE_NAME":"2021-02-01 JL03 SO1 MRM LM TR2_1-C,1_1_850.d"}
},
{
"Subject ID":"1_1_851",
"Sample ID":"2021-02-01 JL04 SO1 MRM LM TR3_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"1","RAW_FILE_NAME":"2021-02-01 JL04 SO1 MRM LM TR3_1-C,1_1_851.d"}
},
{
"Subject ID":"1_1_852",
"Sample ID":"2021-02-01 JL05 SO WE 1 MRM LM TR1_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"1","RAW_FILE_NAME":"2021-02-01 JL05 SO WE 1 MRM LM TR1_1-E,1_1_852.d"}
},
{
"Subject ID":"1_1_853",
"Sample ID":"2021-02-01 JL06 SO WE 1 MRM LM TR2_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"1","RAW_FILE_NAME":"2021-02-01 JL06 SO WE 1 MRM LM TR2_1-E,1_1_853.d"}
},
{
"Subject ID":"1_1_854",
"Sample ID":"2021-02-01 JL07 SO WE 1 MRM LM TR3_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"1","RAW_FILE_NAME":"2021-02-01 JL07 SO WE 1 MRM LM TR3_1-E,1_1_854.d"}
},
{
"Subject ID":"2_1_856",
"Sample ID":"2021-02-01 JL09 SO2 MRM LM TR1_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"2","RAW_FILE_NAME":"2021-02-01 JL09 SO2 MRM LM TR1_1-C,2_1_856.d"}
},
{
"Subject ID":"2_1_857",
"Sample ID":"2021-02-01 JL10 SO2 MRM LM TR2_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"2","RAW_FILE_NAME":"2021-02-01 JL10 SO2 MRM LM TR2_1-C,2_1_857.d"}
},
{
"Subject ID":"2_1_858",
"Sample ID":"2021-02-01 JL11 SO2 MRM LM TR3_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"2","RAW_FILE_NAME":"2021-02-01 JL11 SO2 MRM LM TR3_1-C,2_1_858.d"}
},
{
"Subject ID":"2_1_859",
"Sample ID":"2021-02-01 JL12 SO WE 2 MRM LM TR1_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"2","RAW_FILE_NAME":"2021-02-01 JL12 SO WE 2 MRM LM TR1_1-E,2_1_859.d"}
},
{
"Subject ID":"2_1_860",
"Sample ID":"2021-02-01 JL13 SO WE 2 MRM LM TR2_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"2","RAW_FILE_NAME":"2021-02-01 JL13 SO WE 2 MRM LM TR2_1-E,2_1_860.d"}
},
{
"Subject ID":"2_1_861",
"Sample ID":"2021-02-01 JL14 SO WE 2 MRM LM TR3_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"2","RAW_FILE_NAME":"2021-02-01 JL14 SO WE 2 MRM LM TR3_1-E,2_1_861.d"}
},
{
"Subject ID":"3_1_863",
"Sample ID":"2021-02-01 JL16 SO3 MRM LM TR1_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"3","RAW_FILE_NAME":"2021-02-01 JL16 SO3 MRM LM TR1_1-C,3_1_863.d"}
},
{
"Subject ID":"3_1_864",
"Sample ID":"2021-02-01 JL17 SO3 MRM LM TR2_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"3","RAW_FILE_NAME":"2021-02-01 JL17 SO3 MRM LM TR2_1-C,3_1_864.d"}
},
{
"Subject ID":"3_1_865",
"Sample ID":"2021-02-01 JL18 SO3 MRM LM TR3_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"3","RAW_FILE_NAME":"2021-02-01 JL18 SO3 MRM LM TR3_1-C,3_1_865.d"}
},
{
"Subject ID":"3_1_866",
"Sample ID":"2021-02-01 JL19 SO WE 3 MRM LM TR1_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"3","RAW_FILE_NAME":"2021-02-01 JL19 SO WE 3 MRM LM TR1_1-E,3_1_866.d"}
},
{
"Subject ID":"3_1_867",
"Sample ID":"2021-02-01 JL20 SO WE 3 MRM LM TR2_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"3","RAW_FILE_NAME":"2021-02-01 JL20 SO WE 3 MRM LM TR2_1-E,3_1_867.d"}
},
{
"Subject ID":"3_1_868",
"Sample ID":"2021-02-01 JL21 SO WE 3 MRM LM TR3_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"3","RAW_FILE_NAME":"2021-02-01 JL21 SO WE 3 MRM LM TR3_1-E,3_1_868.d"}
},
{
"Subject ID":"4_1_870",
"Sample ID":"2021-02-01 JL23 SO4 MRM LM TR1_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"4","RAW_FILE_NAME":"2021-02-01 JL23 SO4 MRM LM TR1_1-C,4_1_870.d"}
},
{
"Subject ID":"4_1_871",
"Sample ID":"2021-02-01 JL24 SO4 MRM LM TR2_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"4","RAW_FILE_NAME":"2021-02-01 JL24 SO4 MRM LM TR2_1-C,4_1_871.d"}
},
{
"Subject ID":"4_1_872",
"Sample ID":"2021-02-01 JL25 SO4 MRM LM TR3_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"4","RAW_FILE_NAME":"2021-02-01 JL25 SO4 MRM LM TR3_1-C,4_1_872.d"}
},
{
"Subject ID":"4_1_873",
"Sample ID":"2021-02-01 JL26 SO WE 4 MRM LM TR1_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"4","RAW_FILE_NAME":"2021-02-01 JL26 SO WE 4 MRM LM TR1_1-E,4_1_873.d"}
},
{
"Subject ID":"4_1_874",
"Sample ID":"2021-02-01 JL27 SO WE 4 MRM LM TR2_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"4","RAW_FILE_NAME":"2021-02-01 JL27 SO WE 4 MRM LM TR2_1-E,4_1_874.d"}
},
{
"Subject ID":"4_1_875",
"Sample ID":"2021-02-01 JL28 SO WE 4 MRM LM TR3_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"4","RAW_FILE_NAME":"2021-02-01 JL28 SO WE 4 MRM LM TR3_1-E,4_1_875.d"}
},
{
"Subject ID":"5_1_877",
"Sample ID":"2021-02-01 JL30 SO5 MRM LM TR1_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"5","RAW_FILE_NAME":"2021-02-01 JL30 SO5 MRM LM TR1_1-C,5_1_877.d"}
},
{
"Subject ID":"5_1_878",
"Sample ID":"2021-02-01 JL31 SO5 MRM LM TR2_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"5","RAW_FILE_NAME":"2021-02-01 JL31 SO5 MRM LM TR2_1-C,5_1_878.d"}
},
{
"Subject ID":"5_1_879",
"Sample ID":"2021-02-01 JL32 SO5 MRM LM TR3_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"5","RAW_FILE_NAME":"2021-02-01 JL32 SO5 MRM LM TR3_1-C,5_1_879.d"}
},
{
"Subject ID":"5_1_880",
"Sample ID":"2021-02-01 JL33 SO WE 5 MRM LM TR1_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"5","RAW_FILE_NAME":"2021-02-01 JL33 SO WE 5 MRM LM TR1_1-E,5_1_880.d"}
},
{
"Subject ID":"5_1_881",
"Sample ID":"2021-02-01 JL34 SO WE 5 MRM LM TR2_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"5","RAW_FILE_NAME":"2021-02-01 JL34 SO WE 5 MRM LM TR2_1-E,5_1_881.d"}
},
{
"Subject ID":"5_1_882",
"Sample ID":"2021-02-01 JL35 SO WE 5 MRM LM TR3_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"5","RAW_FILE_NAME":"2021-02-01 JL35 SO WE 5 MRM LM TR3_1-E,5_1_882.d"}
},
{
"Subject ID":"6_1_884",
"Sample ID":"2021-02-01 JL37 SO6 MRM LM TR1_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"6","RAW_FILE_NAME":"2021-02-01 JL37 SO6 MRM LM TR1_1-C,6_1_884.d"}
},
{
"Subject ID":"6_1_885",
"Sample ID":"2021-02-01 JL38 SO6 MRM LM TR2_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"6","RAW_FILE_NAME":"2021-02-01 JL38 SO6 MRM LM TR2_1-C,6_1_885.d"}
},
{
"Subject ID":"6_1_886",
"Sample ID":"2021-02-01 JL39 SO6 MRM LM TR3_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"6","RAW_FILE_NAME":"2021-02-01 JL39 SO6 MRM LM TR3_1-C,6_1_886.d"}
},
{
"Subject ID":"6_1_887",
"Sample ID":"2021-02-01 JL40 SO WE 6 MRM LM TR1_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"6","RAW_FILE_NAME":"2021-02-01 JL40 SO WE 6 MRM LM TR1_1-E,6_1_887.d"}
},
{
"Subject ID":"6_1_888",
"Sample ID":"2021-02-01 JL41 SO WE 6 MRM LM TR2_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"6","RAW_FILE_NAME":"2021-02-01 JL41 SO WE 6 MRM LM TR2_1-E,6_1_888.d"}
},
{
"Subject ID":"6_1_889",
"Sample ID":"2021-02-01 JL42 SO WE 6 MRM LM TR3_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"6","RAW_FILE_NAME":"2021-02-01 JL42 SO WE 6 MRM LM TR3_1-E,6_1_889.d"}
},
{
"Subject ID":"7_1_891",
"Sample ID":"2021-02-01 JL44 SO7 MRM LM TR1_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"7","RAW_FILE_NAME":"2021-02-01 JL44 SO7 MRM LM TR1_1-C,7_1_891.d"}
},
{
"Subject ID":"7_1_892",
"Sample ID":"2021-02-01 JL45 SO7 MRM LM TR2_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"7","RAW_FILE_NAME":"2021-02-01 JL45 SO7 MRM LM TR2_1-C,7_1_892.d"}
},
{
"Subject ID":"7_1_893",
"Sample ID":"2021-02-01 JL46 SO7 MRM LM TR3_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"7","RAW_FILE_NAME":"2021-02-01 JL46 SO7 MRM LM TR3_1-C,7_1_893.d"}
},
{
"Subject ID":"7_1_894",
"Sample ID":"2021-02-01 JL47 SO WE 7 MRM LM TR1_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"7","RAW_FILE_NAME":"2021-02-01 JL47 SO WE 7 MRM LM TR1_1-E,7_1_894.d"}
},
{
"Subject ID":"7_1_895",
"Sample ID":"2021-02-01 JL48 SO WE 7 MRM LM TR2_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"7","RAW_FILE_NAME":"2021-02-01 JL48 SO WE 7 MRM LM TR2_1-E,7_1_895.d"}
},
{
"Subject ID":"7_1_896",
"Sample ID":"2021-02-01 JL49 SO WE 7 MRM LM TR3_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"7","RAW_FILE_NAME":"2021-02-01 JL49 SO WE 7 MRM LM TR3_1-E,7_1_896.d"}
},
{
"Subject ID":"8_1_898",
"Sample ID":"2021-02-01 JL51 SO8 MRM LM TR1_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"8","RAW_FILE_NAME":"2021-02-01 JL51 SO8 MRM LM TR1_1-C,8_1_898.d"}
},
{
"Subject ID":"8_1_899",
"Sample ID":"2021-02-01 JL52 SO8 MRM LM TR2_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"8","RAW_FILE_NAME":"2021-02-01 JL52 SO8 MRM LM TR2_1-C,8_1_899.d"}
},
{
"Subject ID":"8_1_900",
"Sample ID":"2021-02-01 JL53 SO8 MRM LM TR3_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"8","RAW_FILE_NAME":"2021-02-01 JL53 SO8 MRM LM TR3_1-C,8_1_900.d"}
},
{
"Subject ID":"8_1_901",
"Sample ID":"2021-02-01 JL54 SO WE 8 MRM LM TR1_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"8","RAW_FILE_NAME":"2021-02-01 JL54 SO WE 8 MRM LM TR1_1-E,8_1_901.d"}
},
{
"Subject ID":"8_1_902",
"Sample ID":"2021-02-01 JL55 SO WE 8 MRM LM TR2_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"8","RAW_FILE_NAME":"2021-02-01 JL55 SO WE 8 MRM LM TR2_1-E,8_1_902.d"}
},
{
"Subject ID":"8_1_903",
"Sample ID":"2021-02-01 JL56 SO WE 8 MRM LM TR3_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"8","RAW_FILE_NAME":"2021-02-01 JL56 SO WE 8 MRM LM TR3_1-E,8_1_903.d"}
},
{
"Subject ID":"1_1_905",
"Sample ID":"2021-02-01 JL58 SO9 MRM LM TR1_1-D",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"9","RAW_FILE_NAME":"2021-02-01 JL58 SO9 MRM LM TR1_1-D,1_1_905.d"}
},
{
"Subject ID":"1_1_906",
"Sample ID":"2021-02-01 JL59 SO9 MRM LM TR2_1-D",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"9","RAW_FILE_NAME":"2021-02-01 JL59 SO9 MRM LM TR2_1-D,1_1_906.d"}
},
{
"Subject ID":"1_1_907",
"Sample ID":"2021-02-01 JL60 SO9 MRM LM TR3_1-D",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"9","RAW_FILE_NAME":"2021-02-01 JL60 SO9 MRM LM TR3_1-D,1_1_907.d"}
},
{
"Subject ID":"1_1_908",
"Sample ID":"2021-02-01 JL61 SO WE 9 MRM LM TR1_1-F",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"9","RAW_FILE_NAME":"2021-02-01 JL61 SO WE 9 MRM LM TR1_1-F,1_1_908.d"}
},
{
"Subject ID":"1_1_909",
"Sample ID":"2021-02-01 JL62 SO WE 9 MRM LM TR2_1-F",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"9","RAW_FILE_NAME":"2021-02-01 JL62 SO WE 9 MRM LM TR2_1-F,1_1_909.d"}
},
{
"Subject ID":"1_1_910",
"Sample ID":"2021-02-01 JL63 SO WE 9 MRM LM TR3_1-F",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"Low-mass range metabolites","Biological replicate identifier":"9","RAW_FILE_NAME":"2021-02-01 JL63 SO WE 9 MRM LM TR3_1-F,1_1_910.d"}
},
{
"Subject ID":"1_1_784",
"Sample ID":"2021-01-31 JL02 SO1 MRM TR1_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"1","RAW_FILE_NAME":"2021-01-31 JL02 SO1 MRM TR1_1-C,1_1_784.d"}
},
{
"Subject ID":"1_1_785",
"Sample ID":"2021-01-31 JL03 SO1 MRM TR2_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"1","RAW_FILE_NAME":"2021-01-31 JL03 SO1 MRM TR2_1-C,1_1_785.d"}
},
{
"Subject ID":"1_1_786",
"Sample ID":"2021-01-31 JL04 SO1 MRM TR3_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"1","RAW_FILE_NAME":"2021-01-31 JL04 SO1 MRM TR3_1-C,1_1_786.d"}
},
{
"Subject ID":"1_1_787",
"Sample ID":"2021-01-31 JL05 SO WE 1 MRM TR1_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"1","RAW_FILE_NAME":"2021-01-31 JL05 SO WE 1 MRM TR1_1-E,1_1_787.d"}
},
{
"Subject ID":"1_1_788",
"Sample ID":"2021-01-31 JL06 SO WE 1 MRM TR2_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"1","RAW_FILE_NAME":"2021-01-31 JL06 SO WE 1 MRM TR2_1-E,1_1_788.d"}
},
{
"Subject ID":"1_1_789",
"Sample ID":"2021-01-31 JL07 SO WE 1 MRM TR3_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"1","RAW_FILE_NAME":"2021-01-31 JL07 SO WE 1 MRM TR3_1-E,1_1_789.d"}
},
{
"Subject ID":"2_1_791",
"Sample ID":"2021-01-31 JL09 SO2 MRM TR1_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"2","RAW_FILE_NAME":"2021-01-31 JL09 SO2 MRM TR1_1-C,2_1_791.d"}
},
{
"Subject ID":"2_1_792",
"Sample ID":"2021-01-31 JL10 SO2 MRM TR2_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"2","RAW_FILE_NAME":"2021-01-31 JL10 SO2 MRM TR2_1-C,2_1_792.d"}
},
{
"Subject ID":"2_1_793",
"Sample ID":"2021-01-31 JL11 SO2 MRM TR3_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"2","RAW_FILE_NAME":"2021-01-31 JL11 SO2 MRM TR3_1-C,2_1_793.d"}
},
{
"Subject ID":"2_1_794",
"Sample ID":"2021-01-31 JL12 SO WE 2 MRM TR1_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"2","RAW_FILE_NAME":"2021-01-31 JL12 SO WE 2 MRM TR1_1-E,2_1_794.d"}
},
{
"Subject ID":"2_1_795",
"Sample ID":"2021-01-31 JL13 SO WE 2 MRM TR2_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"2","RAW_FILE_NAME":"2021-01-31 JL13 SO WE 2 MRM TR2_1-E,2_1_795.d"}
},
{
"Subject ID":"2_1_796",
"Sample ID":"2021-01-31 JL14 SO WE 2 MRM TR3_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"2","RAW_FILE_NAME":"2021-01-31 JL14 SO WE 2 MRM TR3_1-E,2_1_796.d"}
},
{
"Subject ID":"3_1_798",
"Sample ID":"2021-01-31 JL16 SO3 MRM TR1_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"3","RAW_FILE_NAME":"2021-01-31 JL16 SO3 MRM TR1_1-C,3_1_798.d"}
},
{
"Subject ID":"3_1_799",
"Sample ID":"2021-01-31 JL17 SO3 MRM TR2_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"3","RAW_FILE_NAME":"2021-01-31 JL17 SO3 MRM TR2_1-C,3_1_799.d"}
},
{
"Subject ID":"3_1_800",
"Sample ID":"2021-01-31 JL18 SO3 MRM TR3_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"3","RAW_FILE_NAME":"2021-01-31 JL18 SO3 MRM TR3_1-C,3_1_800.d"}
},
{
"Subject ID":"3_1_801",
"Sample ID":"2021-01-31 JL19 SO WE 3 MRM TR1_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"3","RAW_FILE_NAME":"2021-01-31 JL19 SO WE 3 MRM TR1_1-E,3_1_801.d"}
},
{
"Subject ID":"3_1_802",
"Sample ID":"2021-01-31 JL20 SO WE 3 MRM TR2_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"3","RAW_FILE_NAME":"2021-01-31 JL20 SO WE 3 MRM TR2_1-E,3_1_802.d"}
},
{
"Subject ID":"3_1_803",
"Sample ID":"2021-01-31 JL21 SO WE 3 MRM TR3_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"3","RAW_FILE_NAME":"2021-01-31 JL21 SO WE 3 MRM TR3_1-E,3_1_803.d"}
},
{
"Subject ID":"4_1_805",
"Sample ID":"2021-01-31 JL23 SO4 MRM TR1_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"4","RAW_FILE_NAME":"2021-01-31 JL23 SO4 MRM TR1_1-C,4_1_805.d"}
},
{
"Subject ID":"4_1_806",
"Sample ID":"2021-01-31 JL24 SO4 MRM TR2_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"4","RAW_FILE_NAME":"2021-01-31 JL24 SO4 MRM TR2_1-C,4_1_806.d"}
},
{
"Subject ID":"4_1_807",
"Sample ID":"2021-01-31 JL25 SO4 MRM TR3_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"4","RAW_FILE_NAME":"2021-01-31 JL25 SO4 MRM TR3_1-C,4_1_807.d"}
},
{
"Subject ID":"4_1_808",
"Sample ID":"2021-01-31 JL26 SO WE 4 MRM TR1_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"4","RAW_FILE_NAME":"2021-01-31 JL26 SO WE 4 MRM TR1_1-E,4_1_808.d"}
},
{
"Subject ID":"4_1_809",
"Sample ID":"2021-01-31 JL27 SO WE 4 MRM TR2_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"4","RAW_FILE_NAME":"2021-01-31 JL27 SO WE 4 MRM TR2_1-E,4_1_809.d"}
},
{
"Subject ID":"4_1_810",
"Sample ID":"2021-01-31 JL28 SO WE 4 MRM TR3_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"4","RAW_FILE_NAME":"2021-01-31 JL28 SO WE 4 MRM TR3_1-E,4_1_810.d"}
},
{
"Subject ID":"5_1_812",
"Sample ID":"2021-01-31 JL30 SO5 MRM TR1_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"5","RAW_FILE_NAME":"2021-01-31 JL30 SO5 MRM TR1_1-C,5_1_812.d"}
},
{
"Subject ID":"5_1_813",
"Sample ID":"2021-01-31 JL31 SO5 MRM TR2_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"5","RAW_FILE_NAME":"2021-01-31 JL31 SO5 MRM TR2_1-C,5_1_813.d"}
},
{
"Subject ID":"5_1_814",
"Sample ID":"2021-01-31 JL32 SO5 MRM TR3_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"5","RAW_FILE_NAME":"2021-01-31 JL32 SO5 MRM TR3_1-C,5_1_814.d"}
},
{
"Subject ID":"5_1_815",
"Sample ID":"2021-01-31 JL33 SO WE 5 MRM TR1_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"5","RAW_FILE_NAME":"2021-01-31 JL33 SO WE 5 MRM TR1_1-E,5_1_815.d"}
},
{
"Subject ID":"5_1_816",
"Sample ID":"2021-01-31 JL34 SO WE 5 MRM TR2_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"5","RAW_FILE_NAME":"2021-01-31 JL34 SO WE 5 MRM TR2_1-E,5_1_816.d"}
},
{
"Subject ID":"5_1_817",
"Sample ID":"2021-01-31 JL35 SO WE 5 MRM TR3_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"5","RAW_FILE_NAME":"2021-01-31 JL35 SO WE 5 MRM TR3_1-E,5_1_817.d"}
},
{
"Subject ID":"6_1_819",
"Sample ID":"2021-01-31 JL37 SO6 MRM TR1_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"6","RAW_FILE_NAME":"2021-01-31 JL37 SO6 MRM TR1_1-C,6_1_819.d"}
},
{
"Subject ID":"6_1_820",
"Sample ID":"2021-01-31 JL38 SO6 MRM TR2_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"6","RAW_FILE_NAME":"2021-01-31 JL38 SO6 MRM TR2_1-C,6_1_820.d"}
},
{
"Subject ID":"6_1_821",
"Sample ID":"2021-01-31 JL39 SO6 MRM TR3_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"6","RAW_FILE_NAME":"2021-01-31 JL39 SO6 MRM TR3_1-C,6_1_821.d"}
},
{
"Subject ID":"6_1_822",
"Sample ID":"2021-01-31 JL40 SO WE 6 MRM TR1_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"6","RAW_FILE_NAME":"2021-01-31 JL40 SO WE 6 MRM TR1_1-E,6_1_822.d"}
},
{
"Subject ID":"6_1_823",
"Sample ID":"2021-01-31 JL41 SO WE 6 MRM TR2_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"6","RAW_FILE_NAME":"2021-01-31 JL41 SO WE 6 MRM TR2_1-E,6_1_823.d"}
},
{
"Subject ID":"6_1_824",
"Sample ID":"2021-01-31 JL42 SO WE 6 MRM TR3_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"6","RAW_FILE_NAME":"2021-01-31 JL42 SO WE 6 MRM TR3_1-E,6_1_824.d"}
},
{
"Subject ID":"7_1_826",
"Sample ID":"2021-01-31 JL44 SO7 MRM TR1_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"7","RAW_FILE_NAME":"2021-01-31 JL44 SO7 MRM TR1_1-C,7_1_826.d"}
},
{
"Subject ID":"7_1_827",
"Sample ID":"2021-01-31 JL45 SO7 MRM TR2_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"7","RAW_FILE_NAME":"2021-01-31 JL45 SO7 MRM TR2_1-C,7_1_827.d"}
},
{
"Subject ID":"7_1_828",
"Sample ID":"2021-01-31 JL46 SO7 MRM TR3_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"7","RAW_FILE_NAME":"2021-01-31 JL46 SO7 MRM TR3_1-C,7_1_828.d"}
},
{
"Subject ID":"7_1_829",
"Sample ID":"2021-01-31 JL47 SO WE 7 MRM TR1_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"7","RAW_FILE_NAME":"2021-01-31 JL47 SO WE 7 MRM TR1_1-E,7_1_829.d"}
},
{
"Subject ID":"7_1_830",
"Sample ID":"2021-01-31 JL48 SO WE 7 MRM TR2_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"7","RAW_FILE_NAME":"2021-01-31 JL48 SO WE 7 MRM TR2_1-E,7_1_830.d"}
},
{
"Subject ID":"7_1_831",
"Sample ID":"2021-01-31 JL49 SO WE 7 MRM TR3_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"7","RAW_FILE_NAME":"2021-01-31 JL49 SO WE 7 MRM TR3_1-E,7_1_831.d"}
},
{
"Subject ID":"8_1_833",
"Sample ID":"2021-01-31 JL51 SO8 MRM TR1_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"8","RAW_FILE_NAME":"2021-01-31 JL51 SO8 MRM TR1_1-C,8_1_833.d"}
},
{
"Subject ID":"8_1_834",
"Sample ID":"2021-01-31 JL52 SO8 MRM TR2_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"8","RAW_FILE_NAME":"2021-01-31 JL52 SO8 MRM TR2_1-C,8_1_834.d"}
},
{
"Subject ID":"8_1_835",
"Sample ID":"2021-01-31 JL53 SO8 MRM TR3_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"8","RAW_FILE_NAME":"2021-01-31 JL53 SO8 MRM TR3_1-C,8_1_835.d"}
},
{
"Subject ID":"8_1_836",
"Sample ID":"2021-01-31 JL54 SO WE 8 MRM TR1_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"8","RAW_FILE_NAME":"2021-01-31 JL54 SO WE 8 MRM TR1_1-E,8_1_836.d"}
},
{
"Subject ID":"8_1_837",
"Sample ID":"2021-01-31 JL55 SO WE 8 MRM TR2_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"8","RAW_FILE_NAME":"2021-01-31 JL55 SO WE 8 MRM TR2_1-E,8_1_837.d"}
},
{
"Subject ID":"8_1_838",
"Sample ID":"2021-01-31 JL56 SO WE 8 MRM TR3_1-E",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"8","RAW_FILE_NAME":"2021-01-31 JL56 SO WE 8 MRM TR3_1-E,8_1_838.d"}
},
{
"Subject ID":"1_1_840",
"Sample ID":"2021-01-31 JL58 SO9 MRM TR1_1-D",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"9","RAW_FILE_NAME":"2021-01-31 JL58 SO9 MRM TR1_1-D,1_1_840.d"}
},
{
"Subject ID":"1_1_841",
"Sample ID":"2021-01-31 JL59 SO9 MRM TR2_1-D",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"9","RAW_FILE_NAME":"2021-01-31 JL59 SO9 MRM TR2_1-D,1_1_841.d"}
},
{
"Subject ID":"1_1_842",
"Sample ID":"2021-01-31 JL60 SO9 MRM TR3_1-D",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"9","RAW_FILE_NAME":"2021-01-31 JL60 SO9 MRM TR3_1-D,1_1_842.d"}
},
{
"Subject ID":"1_1_843",
"Sample ID":"2021-01-31 JL61 SO WE 9 MRM TR1_1-F",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"9","RAW_FILE_NAME":"2021-01-31 JL61 SO WE 9 MRM TR1_1-F,1_1_843.d"}
},
{
"Subject ID":"1_1_844",
"Sample ID":"2021-01-31 JL62 SO WE 9 MRM TR2_1-F",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"9","RAW_FILE_NAME":"2021-01-31 JL62 SO WE 9 MRM TR2_1-F,1_1_844.d"}
},
{
"Subject ID":"1_1_845",
"Sample ID":"2021-01-31 JL63 SO WE 9 MRM TR3_1-F",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"High-mass range metabolites","Biological replicate identifier":"9","RAW_FILE_NAME":"2021-01-31 JL63 SO WE 9 MRM TR3_1-F,1_1_845.d"}
},
{
"Subject ID":"1_1_1806",
"Sample ID":"2021-09-10 JL48 SOWE1 3x dilution GSH GSSG MRM TR1_1-B",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"1","RAW_FILE_NAME":"2021-09-10 JL48 SOWE1 3x dilution GSH GSSG MRM TR1_1-B,1_1_1806.d"}
},
{
"Subject ID":"1_1_1807",
"Sample ID":"2021-09-10 JL49 SOWE1 3x dilution GSH GSSG MRM TR2_1-B",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"1","RAW_FILE_NAME":"2021-09-10 JL49 SOWE1 3x dilution GSH GSSG MRM TR2_1-B,1_1_1807.d"}
},
{
"Subject ID":"1_1_1808",
"Sample ID":"2021-09-10 JL50 SOWE1 3x dilution GSH GSSG MRM TR3_1-B",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"1","RAW_FILE_NAME":"2021-09-10 JL50 SOWE1 3x dilution GSH GSSG MRM TR3_1-B,1_1_1808.d"}
},
{
"Subject ID":"2_1_1810",
"Sample ID":"2021-09-10 JL52 SO1 3x dilution GSH GSSG MRM TR1_1-B",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"1","RAW_FILE_NAME":"2021-09-10 JL52 SO1 3x dilution GSH GSSG MRM TR1_1-B,2_1_1810.d"}
},
{
"Subject ID":"2_1_1811",
"Sample ID":"2021-09-10 JL53 SO1 3x dilution GSH GSSG MRM TR2_1-B",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"1","RAW_FILE_NAME":"2021-09-10 JL53 SO1 3x dilution GSH GSSG MRM TR2_1-B,2_1_1811.d"}
},
{
"Subject ID":"2_1_1812",
"Sample ID":"2021-09-10 JL54 SO1 3x dilution GSH GSSG MRM TR3_1-B",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"1","RAW_FILE_NAME":"2021-09-10 JL54 SO1 3x dilution GSH GSSG MRM TR3_1-B,2_1_1812.d"}
},
{
"Subject ID":"3_1_1814",
"Sample ID":"2021-09-10 JL56 SOWE2 3x dilution GSH GSSG MRM TR1_1-B",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"2","RAW_FILE_NAME":"2021-09-10 JL56 SOWE2 3x dilution GSH GSSG MRM TR1_1-B,3_1_1814.d"}
},
{
"Subject ID":"3_1_1815",
"Sample ID":"2021-09-10 JL57 SOWE2 3x dilution GSH GSSG MRM TR2_1-B",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"2","RAW_FILE_NAME":"2021-09-10 JL57 SOWE2 3x dilution GSH GSSG MRM TR2_1-B,3_1_1815.d"}
},
{
"Subject ID":"3_1_1816",
"Sample ID":"2021-09-10 JL58 SOWE2 3x dilution GSH GSSG MRM TR3_1-B",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"2","RAW_FILE_NAME":"2021-09-10 JL58 SOWE2 3x dilution GSH GSSG MRM TR3_1-B,3_1_1816.d"}
},
{
"Subject ID":"4_1_1818",
"Sample ID":"2021-09-10 JL60 SO2 3x dilution GSH GSSG MRM TR1_1-B",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"2","RAW_FILE_NAME":"2021-09-10 JL60 SO2 3x dilution GSH GSSG MRM TR1_1-B,4_1_1818.d"}
},
{
"Subject ID":"4_1_1819",
"Sample ID":"2021-09-10 JL61 SO2 3x dilution GSH GSSG MRM TR2_1-B",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"2","RAW_FILE_NAME":"2021-09-10 JL61 SO2 3x dilution GSH GSSG MRM TR2_1-B,4_1_1819.d"}
},
{
"Subject ID":"4_1_1820",
"Sample ID":"2021-09-10 JL62 SO2 3x dilution GSH GSSG MRM TR3_1-B",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"2","RAW_FILE_NAME":"2021-09-10 JL62 SO2 3x dilution GSH GSSG MRM TR3_1-B,4_1_1820.d"}
},
{
"Subject ID":"5_1_1822",
"Sample ID":"2021-09-10 JL64 SOWE3 3x dilution GSH GSSG MRM TR1_1-B",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"3","RAW_FILE_NAME":"2021-09-10 JL64 SOWE3 3x dilution GSH GSSG MRM TR1_1-B,5_1_1822.d"}
},
{
"Subject ID":"5_1_1823",
"Sample ID":"2021-09-10 JL65 SOWE3 3x dilution GSH GSSG MRM TR2_1-B",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"3","RAW_FILE_NAME":"2021-09-10 JL65 SOWE3 3x dilution GSH GSSG MRM TR2_1-B,5_1_1823.d"}
},
{
"Subject ID":"5_1_1824",
"Sample ID":"2021-09-10 JL66 SOWE3 3x dilution GSH GSSG MRM TR3_1-B",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"3","RAW_FILE_NAME":"2021-09-10 JL66 SOWE3 3x dilution GSH GSSG MRM TR3_1-B,5_1_1824.d"}
},
{
"Subject ID":"6_1_1826",
"Sample ID":"2021-09-10 JL68 SO3 3x dilution GSH GSSG MRM TR1_1-B",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"3","RAW_FILE_NAME":"2021-09-10 JL68 SO3 3x dilution GSH GSSG MRM TR1_1-B,6_1_1826.d"}
},
{
"Subject ID":"6_1_1827",
"Sample ID":"2021-09-10 JL69 SO3 3x dilution GSH GSSG MRM TR2_1-B",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"3","RAW_FILE_NAME":"2021-09-10 JL69 SO3 3x dilution GSH GSSG MRM TR2_1-B,6_1_1827.d"}
},
{
"Subject ID":"6_1_1828",
"Sample ID":"2021-09-10 JL70 SO3 3x dilution GSH GSSG MRM TR3_1-B",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"3","RAW_FILE_NAME":"2021-09-10 JL70 SO3 3x dilution GSH GSSG MRM TR3_1-B,6_1_1828.d"}
},
{
"Subject ID":"7_1_1830",
"Sample ID":"2021-09-10 JL72 SOWE4 3x dilution GSH GSSG MRM TR1_1-B",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"4","RAW_FILE_NAME":"2021-09-10 JL72 SOWE4 3x dilution GSH GSSG MRM TR1_1-B,7_1_1830.d"}
},
{
"Subject ID":"7_1_1831",
"Sample ID":"2021-09-10 JL73 SOWE4 3x dilution GSH GSSG MRM TR2_1-B",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"4","RAW_FILE_NAME":"2021-09-10 JL73 SOWE4 3x dilution GSH GSSG MRM TR2_1-B,7_1_1831.d"}
},
{
"Subject ID":"7_1_1832",
"Sample ID":"2021-09-10 JL74 SOWE4 3x dilution GSH GSSG MRM TR3_1-B",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"4","RAW_FILE_NAME":"2021-09-10 JL74 SOWE4 3x dilution GSH GSSG MRM TR3_1-B,7_1_1832.d"}
},
{
"Subject ID":"8_1_1834",
"Sample ID":"2021-09-10 JL76 SO4 3x dilution GSH GSSG MRM TR1_1-B",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"4","RAW_FILE_NAME":"2021-09-10 JL76 SO4 3x dilution GSH GSSG MRM TR1_1-B,8_1_1834.d"}
},
{
"Subject ID":"8_1_1835",
"Sample ID":"2021-09-10 JL77 SO4 3x dilution GSH GSSG MRM TR2_1-B",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"4","RAW_FILE_NAME":"2021-09-10 JL77 SO4 3x dilution GSH GSSG MRM TR2_1-B,8_1_1835.d"}
},
{
"Subject ID":"8_1_1836",
"Sample ID":"2021-09-10 JL78 SO4 3x dilution GSH GSSG MRM TR3_1-B",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"4","RAW_FILE_NAME":"2021-09-10 JL78 SO4 3x dilution GSH GSSG MRM TR3_1-B,8_1_1836.d"}
},
{
"Subject ID":"1_1_1838",
"Sample ID":"2021-09-10 JL80 SOWE5 3x dilution GSH GSSG MRM TR1_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"5","RAW_FILE_NAME":"2021-09-10 JL80 SOWE5 3x dilution GSH GSSG MRM TR1_1-C,1_1_1838.d"}
},
{
"Subject ID":"1_1_1839",
"Sample ID":"2021-09-10 JL81 SOWE5 3x dilution GSH GSSG MRM TR2_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"5","RAW_FILE_NAME":"2021-09-10 JL81 SOWE5 3x dilution GSH GSSG MRM TR2_1-C,1_1_1839.d"}
},
{
"Subject ID":"1_1_1840",
"Sample ID":"2021-09-10 JL82 SOWE5 3x dilution GSH GSSG MRM TR3_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"5","RAW_FILE_NAME":"2021-09-10 JL82 SOWE5 3x dilution GSH GSSG MRM TR3_1-C,1_1_1840.d"}
},
{
"Subject ID":"2_1_1842",
"Sample ID":"2021-09-10 JL84 SO5 3x dilution GSH GSSG MRM TR1_1-C",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"5","RAW_FILE_NAME":"2021-09-10 JL84 SO5 3x dilution GSH GSSG MRM TR1_1-C,2_1_1842.d"}
},
{
"Subject ID":"2_1_1843",
"Sample ID":"2021-09-10 JL85 SO5 3x dilution GSH GSSG MRM TR2_1-C",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"5","RAW_FILE_NAME":"2021-09-10 JL85 SO5 3x dilution GSH GSSG MRM TR2_1-C,2_1_1843.d"}
},
{
"Subject ID":"2_1_1844",
"Sample ID":"2021-09-10 JL86 SO5 3x dilution GSH GSSG MRM TR3_1-C",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"5","RAW_FILE_NAME":"2021-09-10 JL86 SO5 3x dilution GSH GSSG MRM TR3_1-C,2_1_1844.d"}
},
{
"Subject ID":"3_1_1846",
"Sample ID":"2021-09-10 JL88 SOWE6 3x dilution GSH GSSG MRM TR1_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"6","RAW_FILE_NAME":"2021-09-10 JL88 SOWE6 3x dilution GSH GSSG MRM TR1_1-C,3_1_1846.d"}
},
{
"Subject ID":"3_1_1847",
"Sample ID":"2021-09-10 JL89 SOWE6 3x dilution GSH GSSG MRM TR2_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"6","RAW_FILE_NAME":"2021-09-10 JL89 SOWE6 3x dilution GSH GSSG MRM TR2_1-C,3_1_1847.d"}
},
{
"Subject ID":"3_1_1848",
"Sample ID":"2021-09-10 JL90 SOWE6 3x dilution GSH GSSG MRM TR3_1-C",
"Factors":{"Sample type":"SMO"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"6","RAW_FILE_NAME":"2021-09-10 JL90 SOWE6 3x dilution GSH GSSG MRM TR3_1-C,3_1_1848.d"}
},
{
"Subject ID":"4_1_1850",
"Sample ID":"2021-09-10 JL92 SO6 3x dilution GSH GSSG MRM TR1_1-C",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"6","RAW_FILE_NAME":"2021-09-10 JL92 SO6 3x dilution GSH GSSG MRM TR1_1-C,4_1_1850.d"}
},
{
"Subject ID":"4_1_1851",
"Sample ID":"2021-09-10 JL93 SO6 3x dilution GSH GSSG MRM TR2_1-C",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"6","RAW_FILE_NAME":"2021-09-10 JL93 SO6 3x dilution GSH GSSG MRM TR2_1-C,4_1_1851.d"}
},
{
"Subject ID":"4_1_1852",
"Sample ID":"2021-09-10 JL94 SO6 3x dilution GSH GSSG MRM TR3_1-C",
"Factors":{"Sample type":"RE"},
"Additional sample data":{"Targeted metabolites":"GSH and GSSG","Biological replicate identifier":"6","RAW_FILE_NAME":"2021-09-10 JL94 SO6 3x dilution GSH GSSG MRM TR3_1-C,4_1_1852.d"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"The Spemann-Mangold Organizer (SMO) was lineage-traced under epifluorescence and isolated in a 2% (w/v) agarose-coated Petri dish containing 50% SS. The dissected SMO tissues and the remainder embryo (RE) were collected in LoBind Eppendorf tubes separately, and processed using our established protocols for metabolomic analysis. For MS-based metabolomics of the TCA cycle and glycolysis, 10 dissections of SMO and RE were pooled as 1 BR. For targeted quantification of reduced and oxidized glutathione, 20 tissues of SMO and RE were dissected and pooled as one BR. The dissected tissues were stored in LC-MS-grade methanol at −80 °C until sample processing.","SAMPLE_TYPE":"Dissected organizer from Xenopus laevis"},

"TREATMENT":{"TREATMENT_SUMMARY":"NA"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"The supernatant was transferred to a new 1.5 mL Eppendorf vial, vacuum-dried at 20 °C, and reconstituted in 45 uL of LC-MS grade water. For GSH/GSSG analysis, the supernatant was reconstituted in 45 uL of 50% ACN. The supernatant was centrifuged at 13,000 g for 10 min at 4 °C, then stored at -80 °C until LC-MS analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"A 2.5 µL of the metabolite extract was loaded onto a reversed-phase LC column featuring anion-exchange chemistry (Atlantis PREMIER BEH C18 AX Column, Waters, 1.7 µm, 2.1 × 100 mm) and separated at 500 uL/min in a micro-flow LC system (ACQUITY I-Class, Waters) using a gradient of buffer A (100% ACN) and buffer B (95% water, 5% ACN with 1 mM ammonium acetate; pH 7.8) as follows: 5% was held 0–¬0.5 min, then linearly increased to 90% over 9.5 min, and held at 90% for 3 min. To recover and recondition the analytical column before the next sample injection, solvent B was then decreased to 5% over 2 min and the column was rinsed for 7 min. The column temperature was set to 30 °C.","CHROMATOGRAPHY_TYPE":"Ion exchange","INSTRUMENT_NAME":"Waters ACQUITY I-Class","COLUMN_NAME":"Waters Atlantis Premier BEH C18 AX (100 x 2.1mm, 1.7um)","SOLVENT_A":"100% ACN","SOLVENT_B":"95% water/5% acetonitrile; 1 mM ammonium acetate; pH 7.8","FLOW_GRADIENT":"5% B was held 0–0.5 min, then linearly increased to 90% over 9.5 min, and held at 90% for 3 min","FLOW_RATE":"500 uL/min","COLUMN_TEMPERATURE":"30"},

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

"MS":{"INSTRUMENT_NAME":"Bruker timsTOF PRO","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"The metabolites were ionized in a micro-flow electrospray source equipped with an ionBooster-ESI device with the following settings: end plate, 400 V; capillary voltage, 1,000 V; charge voltage, 300 V; vaporizer temperature, 240 °C; sheath gas, 1.5 L/min; nebulizer, 4.1 bar; dry gas, 2.6 L/min; dry temperature, 200 °C. The ions were detected in the negative ionization mode using the following settings: survey (MS1) low- and middle-mass range, m/z 20–300 and m/z 50–1,300, respectively; spectral acquisition rate, 2 Hz. A list of metabolite ions was targeted using multiple reaction monitoring. Ions were isolated with 4-Da window (± 2 Da) for collision-induced dissociation (CID). The low-mass range (m/z 20–300) employed the following optimization for collision energy and m/z tuning: 12 eV at 115.0026; 12 eV at 145.0132; 12 eV at 168.9897; 12 eV at 184.9846; 10 eV at 191.0186."},

"MS_METABOLITE_DATA":{
"Units":"Counts",

"Data":[{"Metabolite":"2-Ketoglutaric acid","2021-02-01 JL02 SO1 MRM LM TR1_1-C":"9897","2021-02-01 JL03 SO1 MRM LM TR2_1-C":"3265","2021-02-01 JL04 SO1 MRM LM TR3_1-C":"7883","2021-02-01 JL05 SO WE 1 MRM LM TR1_1-E":"37708","2021-02-01 JL06 SO WE 1 MRM LM TR2_1-E":"40931","2021-02-01 JL07 SO WE 1 MRM LM TR3_1-E":"42120","2021-02-01 JL09 SO2 MRM LM TR1_1-C":"8618","2021-02-01 JL10 SO2 MRM LM TR2_1-C":"17607","2021-02-01 JL11 SO2 MRM LM TR3_1-C":"3844","2021-02-01 JL12 SO WE 2 MRM LM TR1_1-E":"56065","2021-02-01 JL13 SO WE 2 MRM LM TR2_1-E":"69378","2021-02-01 JL14 SO WE 2 MRM LM TR3_1-E":"59113","2021-02-01 JL16 SO3 MRM LM TR1_1-C":"23799","2021-02-01 JL17 SO3 MRM LM TR2_1-C":"63719","2021-02-01 JL18 SO3 MRM LM TR3_1-C":"55097","2021-02-01 JL19 SO WE 3 MRM LM TR1_1-E":"179704","2021-02-01 JL20 SO WE 3 MRM LM TR2_1-E":"172638","2021-02-01 JL21 SO WE 3 MRM LM TR3_1-E":"163336","2021-02-01 JL23 SO4 MRM LM TR1_1-C":"47905","2021-02-01 JL24 SO4 MRM LM TR2_1-C":"33332","2021-02-01 JL25 SO4 MRM LM TR3_1-C":"32774","2021-02-01 JL26 SO WE 4 MRM LM TR1_1-E":"131918","2021-02-01 JL27 SO WE 4 MRM LM TR2_1-E":"118472","2021-02-01 JL28 SO WE 4 MRM LM TR3_1-E":"113916","2021-02-01 JL30 SO5 MRM LM TR1_1-C":"61237","2021-02-01 JL31 SO5 MRM LM TR2_1-C":"59514","2021-02-01 JL32 SO5 MRM LM TR3_1-C":"56641","2021-02-01 JL33 SO WE 5 MRM LM TR1_1-E":"53094","2021-02-01 JL34 SO WE 5 MRM LM TR2_1-E":"52481","2021-02-01 JL35 SO WE 5 MRM LM TR3_1-E":"51204","2021-02-01 JL37 SO6 MRM LM TR1_1-C":"20107","2021-02-01 JL38 SO6 MRM LM TR2_1-C":"21512","2021-02-01 JL39 SO6 MRM LM TR3_1-C":"16470","2021-02-01 JL40 SO WE 6 MRM LM TR1_1-E":"78909","2021-02-01 JL41 SO WE 6 MRM LM TR2_1-E":"73775","2021-02-01 JL42 SO WE 6 MRM LM TR3_1-E":"70612","2021-02-01 JL44 SO7 MRM LM TR1_1-C":"17372","2021-02-01 JL45 SO7 MRM LM TR2_1-C":"14507","2021-02-01 JL46 SO7 MRM LM TR3_1-C":"19137","2021-02-01 JL47 SO WE 7 MRM LM TR1_1-E":"50595","2021-02-01 JL48 SO WE 7 MRM LM TR2_1-E":"66077","2021-02-01 JL49 SO WE 7 MRM LM TR3_1-E":"66651","2021-02-01 JL51 SO8 MRM LM TR1_1-C":"74692","2021-02-01 JL52 SO8 MRM LM TR2_1-C":"78915","2021-02-01 JL53 SO8 MRM LM TR3_1-C":"68064","2021-02-01 JL54 SO WE 8 MRM LM TR1_1-E":"85939","2021-02-01 JL55 SO WE 8 MRM LM TR2_1-E":"96668","2021-02-01 JL56 SO WE 8 MRM LM TR3_1-E":"98130","2021-02-01 JL58 SO9 MRM LM TR1_1-D":"20691","2021-02-01 JL59 SO9 MRM LM TR2_1-D":"47289","2021-02-01 JL60 SO9 MRM LM TR3_1-D":"23534","2021-02-01 JL61 SO WE 9 MRM LM TR1_1-F":"94955","2021-02-01 JL62 SO WE 9 MRM LM TR2_1-F":"80632","2021-02-01 JL63 SO WE 9 MRM LM TR3_1-F":"95678"},{"Metabolite":"Citric acid","2021-02-01 JL02 SO1 MRM LM TR1_1-C":"283670","2021-02-01 JL03 SO1 MRM LM TR2_1-C":"338034","2021-02-01 JL04 SO1 MRM LM TR3_1-C":"317969","2021-02-01 JL05 SO WE 1 MRM LM TR1_1-E":"1822669","2021-02-01 JL06 SO WE 1 MRM LM TR2_1-E":"1761303","2021-02-01 JL07 SO WE 1 MRM LM TR3_1-E":"1772947","2021-02-01 JL09 SO2 MRM LM TR1_1-C":"195094","2021-02-01 JL10 SO2 MRM LM TR2_1-C":"196526","2021-02-01 JL11 SO2 MRM LM TR3_1-C":"174110","2021-02-01 JL12 SO WE 2 MRM LM TR1_1-E":"1523357","2021-02-01 JL13 SO WE 2 MRM LM TR2_1-E":"1515956","2021-02-01 JL14 SO WE 2 MRM LM TR3_1-E":"1589455","2021-02-01 JL16 SO3 MRM LM TR1_1-C":"641248","2021-02-01 JL17 SO3 MRM LM TR2_1-C":"621230","2021-02-01 JL18 SO3 MRM LM TR3_1-C":"691258","2021-02-01 JL19 SO WE 3 MRM LM TR1_1-E":"4098807","2021-02-01 JL20 SO WE 3 MRM LM TR2_1-E":"4773254","2021-02-01 JL21 SO WE 3 MRM LM TR3_1-E":"3635555","2021-02-01 JL23 SO4 MRM LM TR1_1-C":"558373","2021-02-01 JL24 SO4 MRM LM TR2_1-C":"527366","2021-02-01 JL25 SO4 MRM LM TR3_1-C":"466955","2021-02-01 JL26 SO WE 4 MRM LM TR1_1-E":"4818440","2021-02-01 JL27 SO WE 4 MRM LM TR2_1-E":"4749127","2021-02-01 JL28 SO WE 4 MRM LM TR3_1-E":"4837015","2021-02-01 JL30 SO5 MRM LM TR1_1-C":"1326995","2021-02-01 JL31 SO5 MRM LM TR2_1-C":"1332914","2021-02-01 JL32 SO5 MRM LM TR3_1-C":"1182696","2021-02-01 JL33 SO WE 5 MRM LM TR1_1-E":"3058726","2021-02-01 JL34 SO WE 5 MRM LM TR2_1-E":"3209833","2021-02-01 JL35 SO WE 5 MRM LM TR3_1-E":"3406852","2021-02-01 JL37 SO6 MRM LM TR1_1-C":"796617","2021-02-01 JL38 SO6 MRM LM TR2_1-C":"786339","2021-02-01 JL39 SO6 MRM LM TR3_1-C":"892678","2021-02-01 JL40 SO WE 6 MRM LM TR1_1-E":"3626898","2021-02-01 JL41 SO WE 6 MRM LM TR2_1-E":"4148128","2021-02-01 JL42 SO WE 6 MRM LM TR3_1-E":"4295314","2021-02-01 JL44 SO7 MRM LM TR1_1-C":"484833","2021-02-01 JL45 SO7 MRM LM TR2_1-C":"434593","2021-02-01 JL46 SO7 MRM LM TR3_1-C":"483827","2021-02-01 JL47 SO WE 7 MRM LM TR1_1-E":"2282965","2021-02-01 JL48 SO WE 7 MRM LM TR2_1-E":"2130806","2021-02-01 JL49 SO WE 7 MRM LM TR3_1-E":"2093163","2021-02-01 JL51 SO8 MRM LM TR1_1-C":"2788614","2021-02-01 JL52 SO8 MRM LM TR2_1-C":"2450342","2021-02-01 JL53 SO8 MRM LM TR3_1-C":"2308952","2021-02-01 JL54 SO WE 8 MRM LM TR1_1-E":"4879167","2021-02-01 JL55 SO WE 8 MRM LM TR2_1-E":"5377812","2021-02-01 JL56 SO WE 8 MRM LM TR3_1-E":"5191680","2021-02-01 JL58 SO9 MRM LM TR1_1-D":"1802689","2021-02-01 JL59 SO9 MRM LM TR2_1-D":"2244351","2021-02-01 JL60 SO9 MRM LM TR3_1-D":"1332691","2021-02-01 JL61 SO WE 9 MRM LM TR1_1-F":"3401605","2021-02-01 JL62 SO WE 9 MRM LM TR2_1-F":"3859565","2021-02-01 JL63 SO WE 9 MRM LM TR3_1-F":"4059244"},{"Metabolite":"Glyceraldehyde-3-phosphate","2021-02-01 JL02 SO1 MRM LM TR1_1-C":"8562","2021-02-01 JL03 SO1 MRM LM TR2_1-C":"11084","2021-02-01 JL04 SO1 MRM LM TR3_1-C":"10883","2021-02-01 JL05 SO WE 1 MRM LM TR1_1-E":"41303","2021-02-01 JL06 SO WE 1 MRM LM TR2_1-E":"35750","2021-02-01 JL07 SO WE 1 MRM LM TR3_1-E":"35488","2021-02-01 JL09 SO2 MRM LM TR1_1-C":"19468","2021-02-01 JL10 SO2 MRM LM TR2_1-C":"20167","2021-02-01 JL11 SO2 MRM LM TR3_1-C":"18273","2021-02-01 JL12 SO WE 2 MRM LM TR1_1-E":"74041","2021-02-01 JL13 SO WE 2 MRM LM TR2_1-E":"70666","2021-02-01 JL14 SO WE 2 MRM LM TR3_1-E":"85888","2021-02-01 JL16 SO3 MRM LM TR1_1-C":"40270","2021-02-01 JL17 SO3 MRM LM TR2_1-C":"33725","2021-02-01 JL18 SO3 MRM LM TR3_1-C":"40220","2021-02-01 JL19 SO WE 3 MRM LM TR1_1-E":"141696","2021-02-01 JL20 SO WE 3 MRM LM TR2_1-E":"140227","2021-02-01 JL21 SO WE 3 MRM LM TR3_1-E":"136190","2021-02-01 JL23 SO4 MRM LM TR1_1-C":"30142","2021-02-01 JL24 SO4 MRM LM TR2_1-C":"21840","2021-02-01 JL25 SO4 MRM LM TR3_1-C":"24474","2021-02-01 JL26 SO WE 4 MRM LM TR1_1-E":"86196","2021-02-01 JL27 SO WE 4 MRM LM TR2_1-E":"84098","2021-02-01 JL28 SO WE 4 MRM LM TR3_1-E":"73698","2021-02-01 JL30 SO5 MRM LM TR1_1-C":"37542","2021-02-01 JL31 SO5 MRM LM TR2_1-C":"43835","2021-02-01 JL32 SO5 MRM LM TR3_1-C":"33245","2021-02-01 JL33 SO WE 5 MRM LM TR1_1-E":"55432","2021-02-01 JL34 SO WE 5 MRM LM TR2_1-E":"53393","2021-02-01 JL35 SO WE 5 MRM LM TR3_1-E":"55416","2021-02-01 JL37 SO6 MRM LM TR1_1-C":"31091","2021-02-01 JL38 SO6 MRM LM TR2_1-C":"40821","2021-02-01 JL39 SO6 MRM LM TR3_1-C":"35304","2021-02-01 JL40 SO WE 6 MRM LM TR1_1-E":"52420","2021-02-01 JL41 SO WE 6 MRM LM TR2_1-E":"54916","2021-02-01 JL42 SO WE 6 MRM LM TR3_1-E":"59350","2021-02-01 JL44 SO7 MRM LM TR1_1-C":"14867","2021-02-01 JL45 SO7 MRM LM TR2_1-C":"20229","2021-02-01 JL46 SO7 MRM LM TR3_1-C":"20918","2021-02-01 JL47 SO WE 7 MRM LM TR1_1-E":"34588","2021-02-01 JL48 SO WE 7 MRM LM TR2_1-E":"27629","2021-02-01 JL49 SO WE 7 MRM LM TR3_1-E":"34705","2021-02-01 JL51 SO8 MRM LM TR1_1-C":"86511","2021-02-01 JL52 SO8 MRM LM TR2_1-C":"80946","2021-02-01 JL53 SO8 MRM LM TR3_1-C":"85702","2021-02-01 JL54 SO WE 8 MRM LM TR1_1-E":"77638","2021-02-01 JL55 SO WE 8 MRM LM TR2_1-E":"107402","2021-02-01 JL56 SO WE 8 MRM LM TR3_1-E":"100759","2021-02-01 JL58 SO9 MRM LM TR1_1-D":"57737","2021-02-01 JL59 SO9 MRM LM TR2_1-D":"69994","2021-02-01 JL60 SO9 MRM LM TR3_1-D":"56452","2021-02-01 JL61 SO WE 9 MRM LM TR1_1-F":"86373","2021-02-01 JL62 SO WE 9 MRM LM TR2_1-F":"101038","2021-02-01 JL63 SO WE 9 MRM LM TR3_1-F":"92014"},{"Metabolite":"Glutamic acid","2021-02-01 JL02 SO1 MRM LM TR1_1-C":"39786","2021-02-01 JL03 SO1 MRM LM TR2_1-C":"71488","2021-02-01 JL04 SO1 MRM LM TR3_1-C":"88373","2021-02-01 JL05 SO WE 1 MRM LM TR1_1-E":"697568","2021-02-01 JL06 SO WE 1 MRM LM TR2_1-E":"758914","2021-02-01 JL07 SO WE 1 MRM LM TR3_1-E":"774817","2021-02-01 JL09 SO2 MRM LM TR1_1-C":"41247","2021-02-01 JL10 SO2 MRM LM TR2_1-C":"62520","2021-02-01 JL11 SO2 MRM LM TR3_1-C":"37447","2021-02-01 JL12 SO WE 2 MRM LM TR1_1-E":"466378","2021-02-01 JL13 SO WE 2 MRM LM TR2_1-E":"526000","2021-02-01 JL14 SO WE 2 MRM LM TR3_1-E":"511698","2021-02-01 JL16 SO3 MRM LM TR1_1-C":"51296","2021-02-01 JL17 SO3 MRM LM TR2_1-C":"51475","2021-02-01 JL18 SO3 MRM LM TR3_1-C":"59334","2021-02-01 JL19 SO WE 3 MRM LM TR1_1-E":"533673","2021-02-01 JL20 SO WE 3 MRM LM TR2_1-E":"446326","2021-02-01 JL21 SO WE 3 MRM LM TR3_1-E":"475050","2021-02-01 JL23 SO4 MRM LM TR1_1-C":"84859","2021-02-01 JL24 SO4 MRM LM TR2_1-C":"87748","2021-02-01 JL25 SO4 MRM LM TR3_1-C":"81523","2021-02-01 JL26 SO WE 4 MRM LM TR1_1-E":"641592","2021-02-01 JL27 SO WE 4 MRM LM TR2_1-E":"672473","2021-02-01 JL28 SO WE 4 MRM LM TR3_1-E":"648007","2021-02-01 JL30 SO5 MRM LM TR1_1-C":"130977","2021-02-01 JL31 SO5 MRM LM TR2_1-C":"139089","2021-02-01 JL32 SO5 MRM LM TR3_1-C":"118608","2021-02-01 JL33 SO WE 5 MRM LM TR1_1-E":"447354","2021-02-01 JL34 SO WE 5 MRM LM TR2_1-E":"443261","2021-02-01 JL35 SO WE 5 MRM LM TR3_1-E":"475387","2021-02-01 JL37 SO6 MRM LM TR1_1-C":"84510","2021-02-01 JL38 SO6 MRM LM TR2_1-C":"80649","2021-02-01 JL39 SO6 MRM LM TR3_1-C":"88582","2021-02-01 JL40 SO WE 6 MRM LM TR1_1-E":"532496","2021-02-01 JL41 SO WE 6 MRM LM TR2_1-E":"500258","2021-02-01 JL42 SO WE 6 MRM LM TR3_1-E":"504366","2021-02-01 JL44 SO7 MRM LM TR1_1-C":"52970","2021-02-01 JL45 SO7 MRM LM TR2_1-C":"60155","2021-02-01 JL46 SO7 MRM LM TR3_1-C":"49509","2021-02-01 JL47 SO WE 7 MRM LM TR1_1-E":"383834","2021-02-01 JL48 SO WE 7 MRM LM TR2_1-E":"361485","2021-02-01 JL49 SO WE 7 MRM LM TR3_1-E":"344394","2021-02-01 JL51 SO8 MRM LM TR1_1-C":"136580","2021-02-01 JL52 SO8 MRM LM TR2_1-C":"114656","2021-02-01 JL53 SO8 MRM LM TR3_1-C":"159651","2021-02-01 JL54 SO WE 8 MRM LM TR1_1-E":"427648","2021-02-01 JL55 SO WE 8 MRM LM TR2_1-E":"343377","2021-02-01 JL56 SO WE 8 MRM LM TR3_1-E":"358293","2021-02-01 JL58 SO9 MRM LM TR1_1-D":"114189","2021-02-01 JL59 SO9 MRM LM TR2_1-D":"86851","2021-02-01 JL60 SO9 MRM LM TR3_1-D":"117341","2021-02-01 JL61 SO WE 9 MRM LM TR1_1-F":"317774","2021-02-01 JL62 SO WE 9 MRM LM TR2_1-F":"363666","2021-02-01 JL63 SO WE 9 MRM LM TR3_1-F":"303308"},{"Metabolite":"Malic acid","2021-02-01 JL02 SO1 MRM LM TR1_1-C":"763716","2021-02-01 JL03 SO1 MRM LM TR2_1-C":"748752","2021-02-01 JL04 SO1 MRM LM TR3_1-C":"795600","2021-02-01 JL05 SO WE 1 MRM LM TR1_1-E":"2492106","2021-02-01 JL06 SO WE 1 MRM LM TR2_1-E":"2994412","2021-02-01 JL07 SO WE 1 MRM LM TR3_1-E":"2223816","2021-02-01 JL09 SO2 MRM LM TR1_1-C":"607128","2021-02-01 JL10 SO2 MRM LM TR2_1-C":"598111","2021-02-01 JL11 SO2 MRM LM TR3_1-C":"564539","2021-02-01 JL12 SO WE 2 MRM LM TR1_1-E":"3303316","2021-02-01 JL13 SO WE 2 MRM LM TR2_1-E":"2650586","2021-02-01 JL14 SO WE 2 MRM LM TR3_1-E":"3266591","2021-02-01 JL16 SO3 MRM LM TR1_1-C":"1626117","2021-02-01 JL17 SO3 MRM LM TR2_1-C":"1954066","2021-02-01 JL18 SO3 MRM LM TR3_1-C":"1094477","2021-02-01 JL19 SO WE 3 MRM LM TR1_1-E":"5241792","2021-02-01 JL20 SO WE 3 MRM LM TR2_1-E":"5511307","2021-02-01 JL21 SO WE 3 MRM LM TR3_1-E":"5425216","2021-02-01 JL23 SO4 MRM LM TR1_1-C":"1328520","2021-02-01 JL24 SO4 MRM LM TR2_1-C":"540370","2021-02-01 JL25 SO4 MRM LM TR3_1-C":"428982","2021-02-01 JL26 SO WE 4 MRM LM TR1_1-E":"3845123","2021-02-01 JL27 SO WE 4 MRM LM TR2_1-E":"4549342","2021-02-01 JL28 SO WE 4 MRM LM TR3_1-E":"3803339","2021-02-01 JL30 SO5 MRM LM TR1_1-C":"2073552","2021-02-01 JL31 SO5 MRM LM TR2_1-C":"2210662","2021-02-01 JL32 SO5 MRM LM TR3_1-C":"1402977","2021-02-01 JL33 SO WE 5 MRM LM TR1_1-E":"3010956","2021-02-01 JL34 SO WE 5 MRM LM TR2_1-E":"2897700","2021-02-01 JL35 SO WE 5 MRM LM TR3_1-E":"2879267","2021-02-01 JL37 SO6 MRM LM TR1_1-C":"606142","2021-02-01 JL38 SO6 MRM LM TR2_1-C":"859248","2021-02-01 JL39 SO6 MRM LM TR3_1-C":"1711529","2021-02-01 JL40 SO WE 6 MRM LM TR1_1-E":"3286901","2021-02-01 JL41 SO WE 6 MRM LM TR2_1-E":"4041477","2021-02-01 JL42 SO WE 6 MRM LM TR3_1-E":"3948559","2021-02-01 JL44 SO7 MRM LM TR1_1-C":"894936","2021-02-01 JL45 SO7 MRM LM TR2_1-C":"954864","2021-02-01 JL46 SO7 MRM LM TR3_1-C":"710307","2021-02-01 JL47 SO WE 7 MRM LM TR1_1-E":"3892412","2021-02-01 JL48 SO WE 7 MRM LM TR2_1-E":"2895950","2021-02-01 JL49 SO WE 7 MRM LM TR3_1-E":"2896242","2021-02-01 JL51 SO8 MRM LM TR1_1-C":"1107610","2021-02-01 JL52 SO8 MRM LM TR2_1-C":"1138453","2021-02-01 JL53 SO8 MRM LM TR3_1-C":"1016832","2021-02-01 JL54 SO WE 8 MRM LM TR1_1-E":"2494553","2021-02-01 JL55 SO WE 8 MRM LM TR2_1-E":"2834861","2021-02-01 JL56 SO WE 8 MRM LM TR3_1-E":"2843900","2021-02-01 JL58 SO9 MRM LM TR1_1-D":"896073","2021-02-01 JL59 SO9 MRM LM TR2_1-D":"1241873","2021-02-01 JL60 SO9 MRM LM TR3_1-D":"1106636","2021-02-01 JL61 SO WE 9 MRM LM TR1_1-F":"2587742","2021-02-01 JL62 SO WE 9 MRM LM TR2_1-F":"2639987","2021-02-01 JL63 SO WE 9 MRM LM TR3_1-F":"2772059"}],

"Metabolites":[{"Metabolite":"2-Ketoglutaric acid","kegg id":"C00026 ","formula":"C5H6O5"},{"Metabolite":"Citric acid","kegg id":"C00158","formula":"C6H8O7"},{"Metabolite":"Glyceraldehyde-3-phosphate","kegg id":"C00118","formula":"C3H7O6P"},{"Metabolite":"Glutamic acid","kegg id":"C00025","formula":"C5H9NO4"},{"Metabolite":"Malic acid","kegg id":"C00149","formula":"C4H6O5"}]
}

}