{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001611","ANALYSIS_ID":"AN002645","VERSION":"1","CREATED_ON":"November 30, 2020, 1:35 pm"},

"PROJECT":{"PROJECT_TITLE":"Mouse model of sarcoma (STS) to characterize tumor vulnerabilities and identify novel targets for anti-cancer treatment","PROJECT_SUMMARY":"Here, we use a genetically engineered mouse model of soft tissue sarcoma (STS) along with metabolomics together with tracing technology to characterize tumor vulnerabilities and identify novel targets for anti-cancer treatment. We identified multiple metabolic pathways which are altered in sarcoma and may also serve as potential targets. As a proof of concept, in this study, we used metabolomics together with in vivo tracing approach and identified proline metabolism as a potential target for anti-tumor treatment.","INSTITUTE":"North Carolina State University","LAST_NAME":"Liu","FIRST_NAME":"Xiaojing","ADDRESS":"Polk Hall, RM 128","EMAIL":"xliu68@ncsu.edu","PHONE":"9195154387"},

"STUDY":{"STUDY_TITLE":"Mouse model of sarcoma (STS) to characterize tumor vulnerabilities and identify novel targets for anti-cancer treatment","STUDY_SUMMARY":"For metabolomics study, tumor-bearing mice were starved for 6 hours before sarcoma and skeletal muscles were harvested.","INSTITUTE":"North Carolina State University","LAST_NAME":"Liu","FIRST_NAME":"Xiaojing","ADDRESS":"Polk Hall, RM 128","EMAIL":"xliu68@ncsu.edu","PHONE":"9195154387"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Sample1-NoISD",
"Factors":{"Treatment":"Skeletal muscle"},
"Additional sample data":{"RAW_FILE_NAME":"Sample1-NoISD.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Sample2-NoISD",
"Factors":{"Treatment":"Skeletal muscle"},
"Additional sample data":{"RAW_FILE_NAME":"Sample2-NoISD.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Sample3-NoISD",
"Factors":{"Treatment":"Skeletal muscle"},
"Additional sample data":{"RAW_FILE_NAME":"Sample3-NoISD.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Sample4-NoISD",
"Factors":{"Treatment":"Skeletal muscle"},
"Additional sample data":{"RAW_FILE_NAME":"Sample4-NoISD.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Sample5-NoISD",
"Factors":{"Treatment":"Skeletal muscle"},
"Additional sample data":{"RAW_FILE_NAME":"Sample5-NoISD.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Sample6-NoISD",
"Factors":{"Treatment":"Sarcoma"},
"Additional sample data":{"RAW_FILE_NAME":"Sample6-NoISD.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Sample7-NoISD",
"Factors":{"Treatment":"Sarcoma"},
"Additional sample data":{"RAW_FILE_NAME":"Sample7-NoISD.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Sample8-NoISD",
"Factors":{"Treatment":"Sarcoma"},
"Additional sample data":{"RAW_FILE_NAME":"Sample8-NoISD.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Sample9-NoISD",
"Factors":{"Treatment":"Sarcoma"},
"Additional sample data":{"RAW_FILE_NAME":"Sample9-NoISD.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Sample10-NoISD",
"Factors":{"Treatment":"Sarcoma"},
"Additional sample data":{"RAW_FILE_NAME":"Sample10-NoISD.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"5 skeletal muscle and 5 sarcoma samples. Tissue polar metabolites were extracted into 80% methanol/water.","SAMPLE_TYPE":"Blood;Sarcoma;Skeletal muscle"},

"TREATMENT":{"TREATMENT_SUMMARY":"The mouse model of soft-tissue sarcoma was generated on a mixed background (129/SvJae and C57BL/6) using a combination of alleles that were previously described: Pax7CreER-T2 20, p53FL/FL 21, LSL-NrasG12D 22 and ROSA26mTmG Primary mouse soft tissue sarcomas were generated in the mouse hind limb as previously described 19 by intramuscular (IM) injection of (Z)-4-hydroxytamoxifen (4-OHT). 4-OHT was dissolved in 100% DMSO at a concentration of 10 mg/ml and 50 ul of the solution was injected into the gastrocnemius muscle."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"The tumor sample was first homogenized in liquid nitrogen and then 5 to 10 mg was weighed in a new Eppendorf tube. Ice cold extraction solvent (250 ul 80% MeOH/water) was added to the tissue sample, and a pellet mixer was used to further break down the tissue chunk and form an even suspension, followed by the addition of 250 ul to rinse the pellet mixer. After incubation on ice for an additional 10 min, the tissue extract was centrifuged with a speed of 20,000 g at 4 °C for 10 min. The dry pellets were reconstituted into 30 ul (per 3 mg tissue) sample solvent (water:methanol: acetonitrile, 2:1:1, v/v), and 3 ul was injected to LC-HRMS. 5 ul mouse plasma was mixed with 5 ul water, and 40 ul ice cold methanol was added. After vortex for 1 min, the mixture was centrifuged with a speed of 20,000 g at 4 °C for 10 min, and 3 l was injected to LC-HRMS."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"HILIC method is for general metabolomics analysis.","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000","COLUMN_NAME":"Waters Xbridge amide (100 × 2.1 mm i.d., 3.5 µm)"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Exactive Plus Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"It was operated in the full-scan mode with the resolution set at 70 000 (at m/z 200).LC-MS data were analyzed using Sieve 2.0 (Thermo Scientific), and the integrated area under metabolite peak was used to compare the relative abundance of each metabolite in different samples in the same batch."},

"MS_METABOLITE_DATA":{
"Units":"peak area",

"Data":[{"Metabolite":"creatinine","Sample1-NoISD":"554913622.5","Sample2-NoISD":"496194424","Sample3-NoISD":"558919202.1","Sample4-NoISD":"551372381","Sample5-NoISD":"560927349.2","Sample6-NoISD":"476801064.3","Sample7-NoISD":"379684299.4","Sample8-NoISD":"522477688.3","Sample9-NoISD":"650711484.2","Sample10-NoISD":"460830019.9"},{"Metabolite":"creatine","Sample1-NoISD":"13551413312","Sample2-NoISD":"13172035737","Sample3-NoISD":"14158318517","Sample4-NoISD":"12220350453","Sample5-NoISD":"14223296088","Sample6-NoISD":"11797574285","Sample7-NoISD":"11699527167","Sample8-NoISD":"14075295796","Sample9-NoISD":"14409189156","Sample10-NoISD":"13304903348"},{"Metabolite":"Phosphodimethylethanolamine","Sample1-NoISD":"69185.115","Sample2-NoISD":"449426.472","Sample3-NoISD":"192108.279","Sample4-NoISD":"92442.165","Sample5-NoISD":"37395.15","Sample6-NoISD":"151454.163","Sample7-NoISD":"1330584.687","Sample8-NoISD":"17930.4","Sample9-NoISD":"35472.18","Sample10-NoISD":"548540.07"},{"Metabolite":"2-deoxy-D-ribose","Sample1-NoISD":"1000","Sample2-NoISD":"78842.325","Sample3-NoISD":"1000","Sample4-NoISD":"4583.16","Sample5-NoISD":"1000","Sample6-NoISD":"34127.334","Sample7-NoISD":"122012.949","Sample8-NoISD":"1000","Sample9-NoISD":"30811.869","Sample10-NoISD":"75227.61"},{"Metabolite":"L-cysteinylglycine","Sample1-NoISD":"4542500.445","Sample2-NoISD":"6144482.751","Sample3-NoISD":"5315696.505","Sample4-NoISD":"4258422.735","Sample5-NoISD":"5641769.889","Sample6-NoISD":"6512855.766","Sample7-NoISD":"6118770.078","Sample8-NoISD":"3340165.254","Sample9-NoISD":"4861532.268","Sample10-NoISD":"4955149.962"},{"Metabolite":"choline phosphate","Sample1-NoISD":"256914872","Sample2-NoISD":"218726188.4","Sample3-NoISD":"160032251.5","Sample4-NoISD":"262693514.6","Sample5-NoISD":"155547411.1","Sample6-NoISD":"378054653.8","Sample7-NoISD":"1127831732","Sample8-NoISD":"173827174.5","Sample9-NoISD":"266088618.1","Sample10-NoISD":"503481469.6"},{"Metabolite":"Nicotinamide","Sample1-NoISD":"712871493.6","Sample2-NoISD":"821044872.4","Sample3-NoISD":"725469557.8","Sample4-NoISD":"970127514.2","Sample5-NoISD":"992540262.7","Sample6-NoISD":"1955754327","Sample7-NoISD":"1031436403","Sample8-NoISD":"1637346824","Sample9-NoISD":"1763955947","Sample10-NoISD":"1077277257"},{"Metabolite":"Urocanate","Sample1-NoISD":"21048472.97","Sample2-NoISD":"2342860.671","Sample3-NoISD":"2473082.676","Sample4-NoISD":"5248479.726","Sample5-NoISD":"2828313.831","Sample6-NoISD":"6857905.65","Sample7-NoISD":"4013651.841","Sample8-NoISD":"1588718.58","Sample9-NoISD":"7068298.92","Sample10-NoISD":"1739567.274"},{"Metabolite":"Methylimidazoleacetic acid","Sample1-NoISD":"5778530.703","Sample2-NoISD":"1340838.855","Sample3-NoISD":"1963165.353","Sample4-NoISD":"7425633.843","Sample5-NoISD":"2998272.711","Sample6-NoISD":"5541775.341","Sample7-NoISD":"1121015.874","Sample8-NoISD":"2230411.233","Sample9-NoISD":"2807215.734","Sample10-NoISD":"1749615.969"},{"Metabolite":"4-Imidazolone-5-propanoate","Sample1-NoISD":"402352.86","Sample2-NoISD":"1552204.53","Sample3-NoISD":"1368339.63","Sample4-NoISD":"621119.229","Sample5-NoISD":"684633.492","Sample6-NoISD":"2823136.539","Sample7-NoISD":"1870606.839","Sample8-NoISD":"897043.722","Sample9-NoISD":"862043.127","Sample10-NoISD":"1031644.383"},{"Metabolite":"D-Alanyl-D-alanine","Sample1-NoISD":"157804.965","Sample2-NoISD":"353160.861","Sample3-NoISD":"370970.955","Sample4-NoISD":"137578.506","Sample5-NoISD":"121277.532","Sample6-NoISD":"593913.747","Sample7-NoISD":"419161.128","Sample8-NoISD":"240072.18","Sample9-NoISD":"542094.861","Sample10-NoISD":"564845.874"},{"Metabolite":"citr_L[e]","Sample1-NoISD":"116280400.1","Sample2-NoISD":"79623890.96","Sample3-NoISD":"106746082.4","Sample4-NoISD":"113381977.8","Sample5-NoISD":"128521035.5","Sample6-NoISD":"84670704.62","Sample7-NoISD":"81455824.79","Sample8-NoISD":"101833761.4","Sample9-NoISD":"96936708.68","Sample10-NoISD":"108872939.6"},{"Metabolite":"D-Glucosamine","Sample1-NoISD":"2183110.596","Sample2-NoISD":"2516708.325","Sample3-NoISD":"1917675.975","Sample4-NoISD":"1991298.78","Sample5-NoISD":"1295816.337","Sample6-NoISD":"2025400.308","Sample7-NoISD":"1630365.153","Sample8-NoISD":"1265065.917","Sample9-NoISD":"2637234.264","Sample10-NoISD":"1597090.764"},{"Metabolite":"benzoate","Sample1-NoISD":"6498963.402","Sample2-NoISD":"5693049.15","Sample3-NoISD":"4943341.167","Sample4-NoISD":"5288562.219","Sample5-NoISD":"5619015.822","Sample6-NoISD":"7762170.486","Sample7-NoISD":"5557989.507","Sample8-NoISD":"5796370.242","Sample9-NoISD":"7762147.65","Sample10-NoISD":"4356450.255"},{"Metabolite":"1-methylnicotinamide","Sample1-NoISD":"70124856.48","Sample2-NoISD":"103766338.5","Sample3-NoISD":"32650867.78","Sample4-NoISD":"39912518.77","Sample5-NoISD":"42440016.01","Sample6-NoISD":"130302796.9","Sample7-NoISD":"107101754.2","Sample8-NoISD":"15529514.48","Sample9-NoISD":"20457379.94","Sample10-NoISD":"30879102.59"},{"Metabolite":"N(2)-acetyl-L-ornithine","Sample1-NoISD":"5465011.926","Sample2-NoISD":"3267504.588","Sample3-NoISD":"5121983.682","Sample4-NoISD":"2590379.643","Sample5-NoISD":"3428371.719","Sample6-NoISD":"3462901.122","Sample7-NoISD":"2050215.9","Sample8-NoISD":"2364774.411","Sample9-NoISD":"1897806.639","Sample10-NoISD":"3334799.826"},{"Metabolite":"sn-Glycero-3-phosphocholine","Sample1-NoISD":"474813645.6","Sample2-NoISD":"545018123.7","Sample3-NoISD":"289599604.5","Sample4-NoISD":"602800202.9","Sample5-NoISD":"379236032.9","Sample6-NoISD":"2192168895","Sample7-NoISD":"1272522214","Sample8-NoISD":"467228357.9","Sample9-NoISD":"531010504.7","Sample10-NoISD":"805254198"},{"Metabolite":"5-amino-1-(5-phospho-D-ribosyl)imidazole","Sample1-NoISD":"1000","Sample2-NoISD":"1000","Sample3-NoISD":"1000","Sample4-NoISD":"1000","Sample5-NoISD":"1000","Sample6-NoISD":"1000","Sample7-NoISD":"24735.672","Sample8-NoISD":"1000","Sample9-NoISD":"11485.188","Sample10-NoISD":"17929.197"},{"Metabolite":"coumarin","Sample1-NoISD":"3881242.716","Sample2-NoISD":"2961425.268","Sample3-NoISD":"2690409.6","Sample4-NoISD":"3160627.53","Sample5-NoISD":"3257982.339","Sample6-NoISD":"4790703.441","Sample7-NoISD":"2934197.139","Sample8-NoISD":"3052891.776","Sample9-NoISD":"4302968.346","Sample10-NoISD":"2330944.434"},{"Metabolite":"N6N6N6-Trimethyl-L-lysine","Sample1-NoISD":"267173679.4","Sample2-NoISD":"158875267.1","Sample3-NoISD":"133929003.5","Sample4-NoISD":"119431459.6","Sample5-NoISD":"177047756.1","Sample6-NoISD":"161512544.1","Sample7-NoISD":"109461767.5","Sample8-NoISD":"244972077.9","Sample9-NoISD":"364808862.5","Sample10-NoISD":"305697823.8"},{"Metabolite":"L-Alanyl-L-leucine","Sample1-NoISD":"232358.475","Sample2-NoISD":"65388.438","Sample3-NoISD":"60071.289","Sample4-NoISD":"263329.368","Sample5-NoISD":"158235.495","Sample6-NoISD":"176505.984","Sample7-NoISD":"147534.825","Sample8-NoISD":"194076.582","Sample9-NoISD":"156368.742","Sample10-NoISD":"186504.672"},{"Metabolite":"3-Hydroxy-N6N6N6-trimethyl-L-lysine","Sample1-NoISD":"5684199.783","Sample2-NoISD":"1166668.878","Sample3-NoISD":"1305034.92","Sample4-NoISD":"2042447.979","Sample5-NoISD":"5928563.748","Sample6-NoISD":"2228844.879","Sample7-NoISD":"1532991.21","Sample8-NoISD":"7375510.116","Sample9-NoISD":"2844759.231","Sample10-NoISD":"2493077.325"},{"Metabolite":"C9H13N5O3(4)","Sample1-NoISD":"524320.29","Sample2-NoISD":"885643.659","Sample3-NoISD":"224678.604","Sample4-NoISD":"130312.668","Sample5-NoISD":"98568.816","Sample6-NoISD":"644264.658","Sample7-NoISD":"604738.929","Sample8-NoISD":"95464.365","Sample9-NoISD":"287784.927","Sample10-NoISD":"290182.842"},{"Metabolite":"5-Hydroxyindoleacetate","Sample1-NoISD":"609779.22","Sample2-NoISD":"215966.409","Sample3-NoISD":"96355.683","Sample4-NoISD":"1783495.998","Sample5-NoISD":"216358.077","Sample6-NoISD":"316679.763","Sample7-NoISD":"168608.679","Sample8-NoISD":"574092.639","Sample9-NoISD":"557498.772","Sample10-NoISD":"604462.356"},{"Metabolite":"N-methyl-467-trihydroxy-1234-tetrahydroisoquinoline","Sample1-NoISD":"1645317.516","Sample2-NoISD":"1917048.294","Sample3-NoISD":"2447622.543","Sample4-NoISD":"2872715.775","Sample5-NoISD":"4423548.96","Sample6-NoISD":"1714595.583","Sample7-NoISD":"1512953.703","Sample8-NoISD":"2032038.291","Sample9-NoISD":"2042905.659","Sample10-NoISD":"1314960.399"},{"Metabolite":"xanthosine","Sample1-NoISD":"4631.328","Sample2-NoISD":"1000","Sample3-NoISD":"3740.166","Sample4-NoISD":"4461.408","Sample5-NoISD":"1000","Sample6-NoISD":"158157.216","Sample7-NoISD":"1000","Sample8-NoISD":"1000","Sample9-NoISD":"5413.68","Sample10-NoISD":"36008.577"},{"Metabolite":"glutathione","Sample1-NoISD":"298809903.3","Sample2-NoISD":"417641055.2","Sample3-NoISD":"360573453.3","Sample4-NoISD":"280860222.3","Sample5-NoISD":"384350949.4","Sample6-NoISD":"429057811.7","Sample7-NoISD":"412134901.3","Sample8-NoISD":"228426404.9","Sample9-NoISD":"324883519.4","Sample10-NoISD":"335233734.5"},{"Metabolite":"N-Ribosylnicotinamide","Sample1-NoISD":"271539.231","Sample2-NoISD":"257879.262","Sample3-NoISD":"270007.194","Sample4-NoISD":"370525.488","Sample5-NoISD":"278300.898","Sample6-NoISD":"677209.065","Sample7-NoISD":"406706.154","Sample8-NoISD":"675657.912","Sample9-NoISD":"172356.27","Sample10-NoISD":"599321.595"},{"Metabolite":"5-Methylthioadenosine","Sample1-NoISD":"3059239.011","Sample2-NoISD":"3963651.372","Sample3-NoISD":"4724731.464","Sample4-NoISD":"3948191.592","Sample5-NoISD":"4147149.327","Sample6-NoISD":"4808281.035","Sample7-NoISD":"3930626.73","Sample8-NoISD":"5537287.011","Sample9-NoISD":"6319736.286","Sample10-NoISD":"5499239.334"},{"Metabolite":"N-acetylneuraminic acid","Sample1-NoISD":"1346746.689","Sample2-NoISD":"3201856.995","Sample3-NoISD":"696658.089","Sample4-NoISD":"743761.449","Sample5-NoISD":"523510.566","Sample6-NoISD":"1292179.035","Sample7-NoISD":"771726.396","Sample8-NoISD":"568750.422","Sample9-NoISD":"1263951.297","Sample10-NoISD":"904400.394"},{"Metabolite":"NeuNGc","Sample1-NoISD":"2248254.312","Sample2-NoISD":"5507579.007","Sample3-NoISD":"1131597.084","Sample4-NoISD":"705594.21","Sample5-NoISD":"802489.626","Sample6-NoISD":"2201780.25","Sample7-NoISD":"1428010.11","Sample8-NoISD":"1244158.779","Sample9-NoISD":"1590177.069","Sample10-NoISD":"2815331.256"},{"Metabolite":"thiamine","Sample1-NoISD":"0","Sample2-NoISD":"0","Sample3-NoISD":"0","Sample4-NoISD":"0","Sample5-NoISD":"0","Sample6-NoISD":"0","Sample7-NoISD":"0","Sample8-NoISD":"0","Sample9-NoISD":"0","Sample10-NoISD":"0"},{"Metabolite":"S-(2-Methylpropanoyl)-dihydrolipoamide","Sample1-NoISD":"0","Sample2-NoISD":"0","Sample3-NoISD":"0","Sample4-NoISD":"0","Sample5-NoISD":"0","Sample6-NoISD":"0","Sample7-NoISD":"0","Sample8-NoISD":"0","Sample9-NoISD":"0","Sample10-NoISD":"0"},{"Metabolite":"3(S)10(R)-OH-octadeca-6-trans-412-cis-trienoate","Sample1-NoISD":"348181.698","Sample2-NoISD":"221138.25","Sample3-NoISD":"170574.681","Sample4-NoISD":"319368.765","Sample5-NoISD":"270626.784","Sample6-NoISD":"281078.325","Sample7-NoISD":"300810.237","Sample8-NoISD":"300544.638","Sample9-NoISD":"349538.796","Sample10-NoISD":"365976.699"},{"Metabolite":"CMP-2-aminoethylphosphonate","Sample1-NoISD":"19141.512","Sample2-NoISD":"1000","Sample3-NoISD":"1000","Sample4-NoISD":"1000","Sample5-NoISD":"15644.88","Sample6-NoISD":"1000","Sample7-NoISD":"1000","Sample8-NoISD":"1000","Sample9-NoISD":"1000","Sample10-NoISD":"1000"},{"Metabolite":"CDP-ethanolamine","Sample1-NoISD":"1422282.108","Sample2-NoISD":"1877835.189","Sample3-NoISD":"651895.818","Sample4-NoISD":"1513652.217","Sample5-NoISD":"982057.326","Sample6-NoISD":"4053426.234","Sample7-NoISD":"2612600.694","Sample8-NoISD":"1844557.908","Sample9-NoISD":"1743053.949","Sample10-NoISD":"1672937.508"},{"Metabolite":"Acetyl adenylate","Sample1-NoISD":"14834.82","Sample2-NoISD":"30751.107","Sample3-NoISD":"1000","Sample4-NoISD":"1000","Sample5-NoISD":"18217.836","Sample6-NoISD":"1000","Sample7-NoISD":"1000","Sample8-NoISD":"16205.085","Sample9-NoISD":"13044.336","Sample10-NoISD":"28194.075"},{"Metabolite":"(S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate","Sample1-NoISD":"0","Sample2-NoISD":"0","Sample3-NoISD":"0","Sample4-NoISD":"0","Sample5-NoISD":"0","Sample6-NoISD":"0","Sample7-NoISD":"0","Sample8-NoISD":"0","Sample9-NoISD":"0","Sample10-NoISD":"0"},{"Metabolite":"beta-1-4-mannose-N-acetylglucosamine","Sample1-NoISD":"232452.147","Sample2-NoISD":"362871.219","Sample3-NoISD":"29052.294","Sample4-NoISD":"38221.872","Sample5-NoISD":"12620.19","Sample6-NoISD":"247188.771","Sample7-NoISD":"224442.108","Sample8-NoISD":"10357.176","Sample9-NoISD":"183397.278","Sample10-NoISD":"26812.26"},{"Metabolite":"CMP-N-trimethyl-2-aminoethylphosphonate","Sample1-NoISD":"1000","Sample2-NoISD":"1000","Sample3-NoISD":"1000","Sample4-NoISD":"1000","Sample5-NoISD":"1000","Sample6-NoISD":"1000","Sample7-NoISD":"1000","Sample8-NoISD":"1000","Sample9-NoISD":"1000","Sample10-NoISD":"1000"},{"Metabolite":"CDPcholine","Sample1-NoISD":"4139518.974","Sample2-NoISD":"4397140.287","Sample3-NoISD":"1981742.217","Sample4-NoISD":"2884633.908","Sample5-NoISD":"2059297.932","Sample6-NoISD":"10686935.3","Sample7-NoISD":"6799533.699","Sample8-NoISD":"5090211.903","Sample9-NoISD":"3735747.855","Sample10-NoISD":"4208132.07"},{"Metabolite":"gama-glutamylglutathione","Sample1-NoISD":"0","Sample2-NoISD":"0","Sample3-NoISD":"0","Sample4-NoISD":"0","Sample5-NoISD":"0","Sample6-NoISD":"0","Sample7-NoISD":"0","Sample8-NoISD":"0","Sample9-NoISD":"0","Sample10-NoISD":"0"},{"Metabolite":"5-S-glutathionyl-dopamine","Sample1-NoISD":"0","Sample2-NoISD":"0","Sample3-NoISD":"0","Sample4-NoISD":"0","Sample5-NoISD":"0","Sample6-NoISD":"0","Sample7-NoISD":"0","Sample8-NoISD":"0","Sample9-NoISD":"0","Sample10-NoISD":"0"},{"Metabolite":"GSSG","Sample1-NoISD":"4478293.59","Sample2-NoISD":"10398757.54","Sample3-NoISD":"6527763.624","Sample4-NoISD":"5372714.427","Sample5-NoISD":"8614930.809","Sample6-NoISD":"8705164.908","Sample7-NoISD":"10056615.29","Sample8-NoISD":"3995287.131","Sample9-NoISD":"9270120.228","Sample10-NoISD":"7241902.428"},{"Metabolite":"CMP-N-acetyl-beta-neuraminate","Sample1-NoISD":"455399.634","Sample2-NoISD":"788352.723","Sample3-NoISD":"358550.928","Sample4-NoISD":"261859.596","Sample5-NoISD":"388962.231","Sample6-NoISD":"433070.454","Sample7-NoISD":"808693.542","Sample8-NoISD":"50176.71","Sample9-NoISD":"580155.621","Sample10-NoISD":"180722.91"},{"Metabolite":"NAD+","Sample1-NoISD":"31431508.99","Sample2-NoISD":"37504571.26","Sample3-NoISD":"35866287.7","Sample4-NoISD":"25191340.62","Sample5-NoISD":"30530375.99","Sample6-NoISD":"14996393.3","Sample7-NoISD":"25186115.44","Sample8-NoISD":"21608527.54","Sample9-NoISD":"19881686.22","Sample10-NoISD":"22865694.32"},{"Metabolite":"NADP+","Sample1-NoISD":"1000","Sample2-NoISD":"56495.601","Sample3-NoISD":"1000","Sample4-NoISD":"1000","Sample5-NoISD":"1000","Sample6-NoISD":"1000","Sample7-NoISD":"1000","Sample8-NoISD":"1000","Sample9-NoISD":"41701.884","Sample10-NoISD":"1000"},{"Metabolite":"Flavin 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carnitine","Sample1-NoISD":"4837173.06","Sample2-NoISD":"2105665.107","Sample3-NoISD":"1334448.801","Sample4-NoISD":"6538811.961","Sample5-NoISD":"8161312.182","Sample6-NoISD":"4316661.111","Sample7-NoISD":"2268595.527","Sample8-NoISD":"1821945.021","Sample9-NoISD":"4072185.219","Sample10-NoISD":"1886074.233"},{"Metabolite":"stearoylcarnitine","Sample1-NoISD":"33906561.41","Sample2-NoISD":"34200191.18","Sample3-NoISD":"23131256.7","Sample4-NoISD":"72991398.05","Sample5-NoISD":"125034453.5","Sample6-NoISD":"44217704.47","Sample7-NoISD":"31117197.63","Sample8-NoISD":"27477881.06","Sample9-NoISD":"24227702.97","Sample10-NoISD":"33109358.82"},{"Metabolite":"Tetracosatetraenoyl carnitine","Sample1-NoISD":"1000","Sample2-NoISD":"1000","Sample3-NoISD":"13731.822","Sample4-NoISD":"1000","Sample5-NoISD":"1000","Sample6-NoISD":"1000","Sample7-NoISD":"1000","Sample8-NoISD":"1000","Sample9-NoISD":"1000","Sample10-NoISD":"1000"},{"Metabolite":"tetradecanoyl carnitine(myristoyl carnitine)","Sample1-NoISD":"26533055.42","Sample2-NoISD":"49683828.75","Sample3-NoISD":"27425956.54","Sample4-NoISD":"96426721.29","Sample5-NoISD":"136272535.9","Sample6-NoISD":"62353602.58","Sample7-NoISD":"19458224.37","Sample8-NoISD":"27011349.67","Sample9-NoISD":"15162031.2","Sample10-NoISD":"32448351.61"},{"Metabolite":"trans-Hexadec-2-enoyl carnitine","Sample1-NoISD":"54972856.23","Sample2-NoISD":"83929151.71","Sample3-NoISD":"39258573.59","Sample4-NoISD":"100656511","Sample5-NoISD":"146316540.2","Sample6-NoISD":"94110870.79","Sample7-NoISD":"35833698.21","Sample8-NoISD":"71168862.06","Sample9-NoISD":"38415285.57","Sample10-NoISD":"48526264.15"},{"Metabolite":"alpha-linolenyl carnitine/gamma-linolenyl carnitine","Sample1-NoISD":"7007989.527","Sample2-NoISD":"15021925.82","Sample3-NoISD":"6045246.144","Sample4-NoISD":"13065534.16","Sample5-NoISD":"19725886.31","Sample6-NoISD":"9173175.654","Sample7-NoISD":"6429361.725","Sample8-NoISD":"6451371.609","Sample9-NoISD":"4998318.387","Sample10-NoISD":"7723485.453"},{"Metabolite":"Linoleyl carnitine/Linoelaidyl carnitine","Sample1-NoISD":"142779955.4","Sample2-NoISD":"189580175.4","Sample3-NoISD":"77955907.19","Sample4-NoISD":"248040234.9","Sample5-NoISD":"390120588.5","Sample6-NoISD":"152720100","Sample7-NoISD":"86133168.4","Sample8-NoISD":"127894552.3","Sample9-NoISD":"79833238.39","Sample10-NoISD":"123431907.8"},{"Metabolite":"Elaidic carnitine/Vaccenyl carnitine","Sample1-NoISD":"231822567.7","Sample2-NoISD":"204075908.9","Sample3-NoISD":"92531038.1","Sample4-NoISD":"394879616","Sample5-NoISD":"566479846.9","Sample6-NoISD":"232766563.1","Sample7-NoISD":"126722918.9","Sample8-NoISD":"226891339.3","Sample9-NoISD":"156892837","Sample10-NoISD":"176781596.1"},{"Metabolite":"lauroyl carnitine","Sample1-NoISD":"12182535.14","Sample2-NoISD":"17305683.54","Sample3-NoISD":"18305250.62","Sample4-NoISD":"39232602.48","Sample5-NoISD":"59019605.18","Sample6-NoISD":"30791577.96","Sample7-NoISD":"11251059.33","Sample8-NoISD":"17948490.99","Sample9-NoISD":"9144323.226","Sample10-NoISD":"20178815.52"},{"Metabolite":"1-methylpyrrolinium","Sample1-NoISD":"48819544.57","Sample2-NoISD":"30319372.88","Sample3-NoISD":"20044409.03","Sample4-NoISD":"22649174.98","Sample5-NoISD":"36898474.19","Sample6-NoISD":"19678276.92","Sample7-NoISD":"14847169.88","Sample8-NoISD":"31306084.58","Sample9-NoISD":"68718117.22","Sample10-NoISD":"46566456.49"},{"Metabolite":"glycine","Sample1-NoISD":"21200993.04","Sample2-NoISD":"35336674.94","Sample3-NoISD":"27434467.13","Sample4-NoISD":"18908876.27","Sample5-NoISD":"18445702.96","Sample6-NoISD":"28149126.9","Sample7-NoISD":"41750664.49","Sample8-NoISD":"38103159.45","Sample9-NoISD":"48834574.75","Sample10-NoISD":"34859416.81"},{"Metabolite":"Trimethylamine N-oxide","Sample1-NoISD":"33599930.82","Sample2-NoISD":"21304503.84","Sample3-NoISD":"4889767.92","Sample4-NoISD":"24897911.79","Sample5-NoISD":"8347965.993","Sample6-NoISD":"19148094.8","Sample7-NoISD":"7795439.268","Sample8-NoISD":"25077866.57","Sample9-NoISD":"56736889.89","Sample10-NoISD":"27156128.36"},{"Metabolite":"Methionine sulfoxide","Sample1-NoISD":"1710095.229","Sample2-NoISD":"1903311.702","Sample3-NoISD":"1498390.005","Sample4-NoISD":"853487.748","Sample5-NoISD":"1186135.5","Sample6-NoISD":"1202047.356","Sample7-NoISD":"1283480.052","Sample8-NoISD":"1198259.148","Sample9-NoISD":"2275692.177","Sample10-NoISD":"1428333.144"}],

"Metabolites":[{"metabolite_name":"creatinine"},{"metabolite_name":"creatine"},{"metabolite_name":"Phosphodimethylethanolamine"},{"metabolite_name":"2-deoxy-D-ribose"},{"metabolite_name":"L-cysteinylglycine"},{"metabolite_name":"choline phosphate"},{"metabolite_name":"Nicotinamide"},{"metabolite_name":"Urocanate"},{"metabolite_name":"Methylimidazoleacetic acid"},{"metabolite_name":"4-Imidazolone-5-propanoate"},{"metabolite_name":"D-Alanyl-D-alanine"},{"metabolite_name":"citr_L[e]"},{"metabolite_name":"D-Glucosamine"},{"metabolite_name":"benzoate"},{"metabolite_name":"1-methylnicotinamide"},{"metabolite_name":"N(2)-acetyl-L-ornithine"},{"metabolite_name":"sn-Glycero-3-phosphocholine"},{"metabolite_name":"5-amino-1-(5-phospho-D-ribosyl)imidazole"},{"metabolite_name":"coumarin"},{"metabolite_name":"N6N6N6-Trimethyl-L-lysine"},{"metabolite_name":"L-Alanyl-L-leucine"},{"metabolite_name":"3-Hydroxy-N6N6N6-trimethyl-L-lysine"},{"metabolite_name":"C9H13N5O3(4)"},{"metabolite_name":"5-Hydroxyindoleacetate"},{"metabolite_name":"N-methyl-467-trihydroxy-1234-tetrahydroisoquinoline"},{"metabolite_name":"xanthosine"},{"metabolite_name":"glutathione"},{"metabolite_name":"N-Ribosylnicotinamide"},{"metabolite_name":"5-Methylthioadenosine"},{"metabolite_name":"N-acetylneuraminic acid"},{"metabolite_name":"NeuNGc"},{"metabolite_name":"thiamine"},{"metabolite_name":"S-(2-Methylpropanoyl)-dihydrolipoamide"},{"metabolite_name":"3(S)10(R)-OH-octadeca-6-trans-412-cis-trienoate"},{"metabolite_name":"CMP-2-aminoethylphosphonate"},{"metabolite_name":"CDP-ethanolamine"},{"metabolite_name":"Acetyl adenylate"},{"metabolite_name":"(S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate"},{"metabolite_name":"beta-1-4-mannose-N-acetylglucosamine"},{"metabolite_name":"CMP-N-trimethyl-2-aminoethylphosphonate"},{"metabolite_name":"CDPcholine"},{"metabolite_name":"gama-glutamylglutathione"},{"metabolite_name":"5-S-glutathionyl-dopamine"},{"metabolite_name":"GSSG"},{"metabolite_name":"CMP-N-acetyl-beta-neuraminate"},{"metabolite_name":"NAD+"},{"metabolite_name":"NADP+"},{"metabolite_name":"Flavin adenine dinucleotide oxidized"},{"metabolite_name":"bilirubin"},{"metabolite_name":"Ureidopropionic acid/Glycyl-glycine"},{"metabolite_name":"acetamidopropanal"},{"metabolite_name":"Ornithine"},{"metabolite_name":"3-Ureidoisobutyrate/Glycylsarcosine"},{"metabolite_name":"C6H11NO3(4)"},{"metabolite_name":"(R)-mevalonate"},{"metabolite_name":"spermidine dialdehyde-2"},{"metabolite_name":"acetylcholine/4-(trimethylammonio)butanoate"},{"metabolite_name":"isoputreanine/putreanine"},{"metabolite_name":"Glycylproline/L-Prolinylglycine"},{"metabolite_name":"gama-L-glutamyl-L-alanine/5-L-Glutamyl-L-alanine-1"},{"metabolite_name":"C9H8O3(3)"},{"metabolite_name":"(-)-Salsolinol/NN-dimethyldopaminequinone-1"},{"metabolite_name":"L-kynurenine"},{"metabolite_name":"methyl indole-3-acetate"},{"metabolite_name":"sphingosine/(2S)-1-hydroxy-3-oxooctadecan-2-aminium"},{"metabolite_name":"C20H30O(4)"},{"metabolite_name":"C27H44O2(5)"},{"metabolite_name":"C27H44O3(5)"},{"metabolite_name":"C27H42O4(3)"},{"metabolite_name":"5-guanidino-2-oxopentanoic acid"},{"metabolite_name":"phenylacetaldehyde"},{"metabolite_name":"L-serine"},{"metabolite_name":"L-cysteine"},{"metabolite_name":"NN-dimethylglycine"},{"metabolite_name":"L-asparagine"},{"metabolite_name":"choline"},{"metabolite_name":"L-methionine"},{"metabolite_name":"L-histidine"},{"metabolite_name":"L-phenylalanine"},{"metabolite_name":"Biotin"},{"metabolite_name":"S-Adenosyl-L-homocysteine"},{"metabolite_name":"S-adenosyl-L-methionine"},{"metabolite_name":"Riboflavin"},{"metabolite_name":"Folate"},{"metabolite_name":"Coenzyme A"},{"metabolite_name":"L-threonine"},{"metabolite_name":"glycine betaine"},{"metabolite_name":"L-glutamine"},{"metabolite_name":"L-tyrosine"},{"metabolite_name":"L-alanine"},{"metabolite_name":"L-proline"},{"metabolite_name":"acetyl-CoA"},{"metabolite_name":"Propanoyl-CoA"},{"metabolite_name":"crotonoyl-CoA"},{"metabolite_name":"isobutyryl-CoA"},{"metabolite_name":"Isovaleryl-CoA"},{"metabolite_name":"malonyl-CoA"},{"metabolite_name":"(S)-3-hydroxybutanoyl-CoA"},{"metabolite_name":"Succinyl-CoA"},{"metabolite_name":"Hydroxymethylglutaryl-CoA"},{"metabolite_name":"Cystathionine"},{"metabolite_name":"adenosine"},{"metabolite_name":"2-deoxycytidine"},{"metabolite_name":"adenine"},{"metabolite_name":"Guanine"},{"metabolite_name":"cytosine"},{"metabolite_name":"thymine/imidazol-4-ylacetate"},{"metabolite_name":"(R)-carnitine"},{"metabolite_name":"O-acetylcarnitine"},{"metabolite_name":"propionyl-carnitine"},{"metabolite_name":"butyryl carnitine"},{"metabolite_name":"3-Hydroxybutyrylcarnitine"},{"metabolite_name":"succinyl carnitine"},{"metabolite_name":"tiglyl carnitine"},{"metabolite_name":"3-hydroxy-isovaleryl carnitine"},{"metabolite_name":"glutaryl carnitine"},{"metabolite_name":"octenoyl carnitine"},{"metabolite_name":"octanoyl carnitine/L-Octanoylcarnitine"},{"metabolite_name":"decenoyl carnitine"},{"metabolite_name":"decanoyl carnitine"},{"metabolite_name":"tetradecenoyl carnitine"},{"metabolite_name":"pendtadenoyl carnitine"},{"metabolite_name":"L-palmitoylcarnitine"},{"metabolite_name":"3-hydroxyhexadecenoylcarnitine"},{"metabolite_name":"3-hydroxyhexadecanoylcarnitine"},{"metabolite_name":"heptadecanoyl carnitine"},{"metabolite_name":"stearoylcarnitine"},{"metabolite_name":"Tetracosatetraenoyl carnitine"},{"metabolite_name":"tetradecanoyl carnitine(myristoyl carnitine)"},{"metabolite_name":"trans-Hexadec-2-enoyl carnitine"},{"metabolite_name":"alpha-linolenyl carnitine/gamma-linolenyl carnitine"},{"metabolite_name":"Linoleyl carnitine/Linoelaidyl carnitine"},{"metabolite_name":"Elaidic carnitine/Vaccenyl carnitine"},{"metabolite_name":"lauroyl carnitine"},{"metabolite_name":"1-methylpyrrolinium"},{"metabolite_name":"glycine"},{"metabolite_name":"Trimethylamine N-oxide"},{"metabolite_name":"Methionine sulfoxide"}]
}

}