{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002121","ANALYSIS_ID":"AN003473","VERSION":"1","CREATED_ON":"March 25, 2022, 11:17 pm"},

"PROJECT":{"PROJECT_TITLE":"Functional metabolomics analysis of pancreatic cancer tissues with gemcitabine treatment","PROJECT_TYPE":"Targeted MS quantitative analysis","PROJECT_SUMMARY":"Characteristics of pancreatic cancer tissues metabolomics with gemcitabine treatment in cell derived xenograft models","INSTITUTE":"Shanghai Center for Systems Biomedicine, Shanghai Jiaotong University","DEPARTMENT":"Shanghai Center for Systems Biomedicine","LABORATORY":"Lu Group","LAST_NAME":"Lu","FIRST_NAME":"Haitao","ADDRESS":"800 Dongchuan RD. Minhang District, Shanghai, Shanghai, 200240, China","EMAIL":"haitao_lu@sjtu.edu.cn","PHONE":"15221478139"},

"STUDY":{"STUDY_TITLE":"Functional metabolic molecule were identified as novel therapeutic targets to facilitate gemcitabine treatment against pancreatic cancer","STUDY_SUMMARY":"With the development of frontier technologies in system biology, traditional omics-drove phenotypic studies are insufficient to decipher the diseases. Therefore, for a thorough understanding of the molecular mechanisms of diseases to investigate novel drug targets, traditional phenotypic studies must be broken through to the functional exploration of molecules. Meanwhile, the intuitive role of small molecule compounds (metabolites) in pathogenesis, precision diagnosis and therapy are gradually recognized compared to macromolecules such as DNA, RNA and proteins. Therefore, we pioneeringly proposed Spatial Temporal Operative Real Metabolomics (STORM) strategy that established a relationship between metabolic phenotypes and functions to accurately character abnormal metabolisms and further identify operative functional molecules as novel therapeutic targets. Here, given the difficulty of pancreatic cancer (PC) treatment and the high resistance of clinical drugs, we were committed to explore new targets and drugs of pancreatic cancer from a small molecular functional perspective via STORM strategy. Fortunately, based on targeted metabolomics, we found that gemcitabine, one of the most effective clinical anti-PC drugs, served as a dual modulator that promote the accumulation of functional metabolic molecules in purine metabolism to activate down-streamed kinases. And the quantitative consequences of related enzymes annotated the unique molecular mechanisms of purine metabolism regulations by gemcitabine. Collectively, we broadened the cognitions of gemcitabine in tumor inhibition, providing potential strategies for treating PC with small molecules modification. Even more importantly, with the integration of multiple frontier technologies, the STORM strategy has proven to be well adapted to the phenotypic era of functional molecules devoted to innovate molecule mechanism annotation and therapeutic discovery.","INSTITUTE":"Shanghai Center for Systems Biomedicine, Shanghai Jiaotong University","LAST_NAME":"Lu","FIRST_NAME":"Haitao","ADDRESS":"800 Dongchuan RD. Minhang District, Shanghai,","EMAIL":"haitao_lu@sjtu.edu.cn","PHONE":"15221478139"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"M-1",
"Factors":{"Treatment":"2 times per week with 3 weeks consecutive respectively intraperitoneal injection with 0.2ml mormal saline"},
"Additional sample data":{"RAW_FILE_NAME":"M-1"}
},
{
"Subject ID":"-",
"Sample ID":"M-3",
"Factors":{"Treatment":"2 times per week with 3 weeks consecutive respectively intraperitoneal injection with 0.2ml mormal saline"},
"Additional sample data":{"RAW_FILE_NAME":"M-3"}
},
{
"Subject ID":"-",
"Sample ID":"M-4",
"Factors":{"Treatment":"2 times per week with 3 weeks consecutive respectively intraperitoneal injection with 0.2ml mormal saline"},
"Additional sample data":{"RAW_FILE_NAME":"M-4"}
},
{
"Subject ID":"-",
"Sample ID":"M-5",
"Factors":{"Treatment":"2 times per week with 3 weeks consecutive respectively intraperitoneal injection with 0.2ml mormal saline"},
"Additional sample data":{"RAW_FILE_NAME":"M-5"}
},
{
"Subject ID":"-",
"Sample ID":"M-6",
"Factors":{"Treatment":"2 times per week with 3 weeks consecutive respectively intraperitoneal injection with 0.2ml mormal saline"},
"Additional sample data":{"RAW_FILE_NAME":"M-6"}
},
{
"Subject ID":"-",
"Sample ID":"M-7",
"Factors":{"Treatment":"2 times per week with 3 weeks consecutive respectively intraperitoneal injection with 0.2ml mormal saline"},
"Additional sample data":{"RAW_FILE_NAME":"M-7"}
},
{
"Subject ID":"-",
"Sample ID":"G-1",
"Factors":{"Treatment":"2 times per week with 3 consecutive respectively intraperitoneal injection with 25mg/kg gemcitabine in 0.2ml"},
"Additional sample data":{"RAW_FILE_NAME":"G-1"}
},
{
"Subject ID":"-",
"Sample ID":"G-2",
"Factors":{"Treatment":"2 times per week with 3 consecutive respectively intraperitoneal injection with 25mg/kg gemcitabine in 0.2ml"},
"Additional sample data":{"RAW_FILE_NAME":"G-2"}
},
{
"Subject ID":"-",
"Sample ID":"G-4",
"Factors":{"Treatment":"2 times per week with 3 consecutive respectively intraperitoneal injection with 25mg/kg gemcitabine in 0.2ml"},
"Additional sample data":{"RAW_FILE_NAME":"G-4"}
},
{
"Subject ID":"-",
"Sample ID":"G-5",
"Factors":{"Treatment":"2 times per week with 3 consecutive respectively intraperitoneal injection with 25mg/kg gemcitabine in 0.2ml"},
"Additional sample data":{"RAW_FILE_NAME":"G-5"}
},
{
"Subject ID":"-",
"Sample ID":"G-6",
"Factors":{"Treatment":"2 times per week with 3 consecutive respectively intraperitoneal injection with 25mg/kg gemcitabine in 0.2ml"},
"Additional sample data":{"RAW_FILE_NAME":"G-6"}
},
{
"Subject ID":"-",
"Sample ID":"G-7",
"Factors":{"Treatment":"2 times per week with 3 consecutive respectively intraperitoneal injection with 25mg/kg gemcitabine in 0.2ml"},
"Additional sample data":{"RAW_FILE_NAME":"G-7"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Tumor tissues were stripped from euthanized mice for further assays","SAMPLE_TYPE":"Subcutaneous tumor tissues of pancreatic cancer"},

"TREATMENT":{"TREATMENT_SUMMARY":"All mice are fed at a constant temperature of 20-26℃ with a free choice of standard food and water with 12-hour light/dark cycle.After 2 weeks acclimatized breeding, Aspc-1 cells were injected into right armpit of nude mice when they 8 weeks old. When solid tumors can be stably observed, treating mice with 25mg/kg gemcitabine twice a week by intraperitoneal injection of Gem-treated group, meanwhile, the control group received the same volume of saline. Measuring tumor volume every two days. 21 days later, tumors were stripped and weighed, parts of which were embedded in paraffin for immunohistochemistry, and the residues were kept in -80 degree refrigerator."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"100-130 mg tissue samples tumor tissues have to be broken by oscillation with 60HZ and 2 minutes in iced 80% methanol solution (mixed with internal standard 0.001mg/ml 4-chloro-DL-phenylalanine). centrifuging at 20,000 g for 10 min at 4 °C, and mixing the supernatants with 800 μL ice-cold acetonitrile. Then the supernatant obtained by centrifugation was filtered through a 0.22 µm organic phase membrane, blown dry in nitrogen, reconstituted in 100 µL of water and transferred to vials for metabolomics assay."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 1290 Infinity","COLUMN_NAME":"Waters Acquity HSS T3 column (100 mm×2.1, 1.8 μm)"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6495 QQQ","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Agilent MassHunter Workstation Data Acquisition Agilent MassHunter"},

"MS_METABOLITE_DATA":{
"Units":"13",

"Data":[{"Metabolite":"Citrate","M-1":"45172579.98","M-3":"41062444.66","M-4":"61394756.16","M-5":"45003714.71","M-6":"35228968.89","M-7":"38090727.16","G-1":"50774017.92","G-2":"47699342.89","G-4":"59684517.03","G-5":"64543934.42","G-6":"49528116.85","G-7":"42501022.41"},{"Metabolite":"Taurocholic acid","M-1":"19645.48376","M-3":"21730.80117","M-4":"12886.646","M-5":"137518.0565","M-6":"7149.574663","M-7":"6667.871281","G-1":"31354.1961","G-2":"9342.97996","G-4":"16558.19322","G-5":"7254.299391","G-6":"229875.2907","G-7":"204648.5543"},{"Metabolite":"Cinnamoylglycine","M-1":"30303.20173","M-3":"27339.15502","M-4":"62028.42036","M-5":"38425.03348","M-6":"16548.90833","M-7":"26212.46056","G-1":"23448.09635","G-2":"39140.95513","G-4":"26137.42471","G-5":"42430.85438","G-6":"15394.30802","G-7":"57240.26246"},{"Metabolite":"Isocitric acid","M-1":"32665618.55","M-3":"38601395.89","M-4":"47171450.63","M-5":"34620235.97","M-6":"33590105.33","M-7":"38254428.26","G-1":"38649213.77","G-2":"30106026.86","G-4":"47333753.32","G-5":"46826498.89","G-6":"44592182.89","G-7":"33906813.05"},{"Metabolite":"Taurochenodeoxycholic acid","M-1":"5265.52459","M-3":"4895.72457","M-4":"11960.95575","M-5":"19372.04797","M-6":"1831.421914","M-7":"8263.859124","G-1":"8128.820797","G-2":"5741.647108","G-4":"8938.733105","G-5":"7067.714455","G-6":"26865.27291","G-7":"33887.97652"},{"Metabolite":"Citraconic acid","M-1":"347822.5884","M-3":"235341.5354","M-4":"292062.8603","M-5":"601573.0478","M-6":"240792.7042","M-7":"406274.0196","G-1":"252203.1673","G-2":"340120.3446","G-4":"411193.1294","G-5":"334125.1724","G-6":"372738.385","G-7":"303879.6155"},{"Metabolite":"Methylmalonic acid","M-1":"10262175.02","M-3":"12304771.87","M-4":"10566728.61","M-5":"9527978.565","M-6":"15479423.84","M-7":"13072131.55","G-1":"10343217.98","G-2":"11027647.65","G-4":"16523961.64","G-5":"12976911","G-6":"16094005.42","G-7":"11128933.26"},{"Metabolite":"3-Hydroxybenzoic acid","M-1":"27636.71874","M-3":"27186.96957","M-4":"41239.55769","M-5":"47380.66736","M-6":"17564.42741","M-7":"32382.61177","G-1":"35769.81874","G-2":"29705.29206","G-4":"37677.80839","G-5":"37293.44251","G-6":"24847.47792","G-7":"29987.27688"},{"Metabolite":"Uridine","M-1":"3647511.293","M-3":"5151176.633","M-4":"2747837.169","M-5":"3137497.862","M-6":"3606412.076","M-7":"3550243.332","G-1":"3274481.58","G-2":"3029662.833","G-4":"5396667.477","G-5":"3026953.215","G-6":"3616212.682","G-7":"3887594.113"},{"Metabolite":"L-Lactate","M-1":"13430319.25","M-3":"13291584.69","M-4":"12080827.05","M-5":"10593406.31","M-6":"13897443.59","M-7":"12285680.49","G-1":"12416600.85","G-2":"11639375.42","G-4":"13513366.36","G-5":"13773044.12","G-6":"13373707.42","G-7":"12831753.11"},{"Metabolite":"Oxalic acid","M-1":"1929631.662","M-3":"2075042.938","M-4":"1855046.851","M-5":"1663249.743","M-6":"1962335.447","M-7":"1887535.116","G-1":"1800374.462","G-2":"1774855.57","G-4":"2153950.58","G-5":"1902151.709","G-6":"2023540.496","G-7":"1979743.143"},{"Metabolite":"Malonic acid","M-1":"2990925.077","M-3":"2196115.487","M-4":"819300.9076","M-5":"2989902.914","M-6":"2616162.087","M-7":"3009578.096","G-1":"554604.1869","G-2":"1451534.782","G-4":"4165497.884","G-5":"2370677.724","G-6":"4642656.133","G-7":"1586875.397"},{"Metabolite":"4-Hydroxybenzoic acid","M-1":"32302.09226","M-3":"34064.60709","M-4":"46397.07714","M-5":"49653.05696","M-6":"19114.42894","M-7":"33753.58971","G-1":"37793.73164","G-2":"34588.27019","G-4":"42174.69539","G-5":"48219.9026","G-6":"26488.98887","G-7":"34958.54169"},{"Metabolite":"Azelaic acid","M-1":"928120.875","M-3":"599379.5366","M-4":"897255.7432","M-5":"1026170.948","M-6":"486079.9367","M-7":"723083.1296","G-1":"755238.8513","G-2":"542680.1834","G-4":"500950.0973","G-5":"866609.7098","G-6":"822168.9801","G-7":"283769.555"},{"Metabolite":"Maleic acid","M-1":"843369.8122","M-3":"725568.8775","M-4":"730540.7571","M-5":"476044.8251","M-6":"752089.7314","M-7":"894694.1559","G-1":"857859.8184","G-2":"1162977.578","G-4":"923850.7099","G-5":"1247035.129","G-6":"847698.8558","G-7":"1578256.603"},{"Metabolite":"N-Acetyl-L-tryptophan","M-1":"12637.37194","M-3":"10846.5588","M-4":"26151.9833","M-5":"8261.903403","M-6":"13328.69448","M-7":"8764.747042","G-1":"12343.48711","G-2":"13822.34458","G-4":"37318.86708","G-5":"33347.71032","G-6":"21339.28871","G-7":"18697.59019"},{"Metabolite":"Sebacic acid","M-1":"115903.8727","M-3":"75391.9655","M-4":"97200.24903","M-5":"143956.0855","M-6":"53048.29695","M-7":"82262.02195","G-1":"103775.048","G-2":"86282.41491","G-4":"84105.29679","G-5":"115567.7102","G-6":"93229.97832","G-7":"118330.0225"},{"Metabolite":"N-Acetylglutamic acid","M-1":"157552.7928","M-3":"103400.2267","M-4":"269395.5845","M-5":"62630.43931","M-6":"116565.9989","M-7":"104370.3221","G-1":"139923.9752","G-2":"147399.3324","G-4":"174411.7635","G-5":"341631.9781","G-6":"274490.0694","G-7":"132865.0132"},{"Metabolite":"Allantoin","M-1":"26173.45168","M-3":"24442.00645","M-4":"41401.2416","M-5":"50587.23924","M-6":"21493.25741","M-7":"30947.11775","G-1":"22660.25814","G-2":"19177.23681","G-4":"28816.07689","G-5":"22901.85985","G-6":"17760.74241","G-7":"22996.13844"},{"Metabolite":"dUMP","M-1":"36602.89418","M-3":"41296.2468","M-4":"43677.29564","M-5":"32824.35072","M-6":"19377.01624","M-7":"34322.47741","G-1":"47211.32536","G-2":"70281.91161","G-4":"46626.90529","G-5":"74559.40476","G-6":"50399.00819","G-7":"73438.81532"},{"Metabolite":"Indoxyl sulfate","M-1":"216711.5429","M-3":"386174.652","M-4":"912610.4466","M-5":"342709.1821","M-6":"199493.803","M-7":"416573.9966","G-1":"1437799.549","G-2":"1040026.035","G-4":"889238.3142","G-5":"970177.399","G-6":"594867.4892","G-7":"954022.7126"},{"Metabolite":"2'-Deoxyinosine","M-1":"1706577.201","M-3":"1610218.805","M-4":"1002763.952","M-5":"910480.1672","M-6":"2028078.448","M-7":"1776796.79","G-1":"1470159.873","G-2":"1489556.31","G-4":"1898027.912","G-5":"1255986.28","G-6":"1760496.379","G-7":"1285836.913"},{"Metabolite":"Cis-Aconitic acid","M-1":"406025.2483","M-3":"366621.2472","M-4":"390788.0905","M-5":"699300.7983","M-6":"381030.848","M-7":"354044.8371","G-1":"491166.5654","G-2":"335073.4401","G-4":"623720.2539","G-5":"409939.4765","G-6":"409816.016","G-7":"404354.693"},{"Metabolite":"D-Glucose 6-phosphate","M-1":"876994.6114","M-3":"920505.7641","M-4":"587570.1181","M-5":"515015.9433","M-6":"1155988.626","M-7":"1364810.188","G-1":"1073200.778","G-2":"1174495.731","G-4":"1321224.188","G-5":"862294.9038","G-6":"1045095.14","G-7":"1359042.976"},{"Metabolite":"Flavin adenine dinucleotide","M-1":"2511513.233","M-3":"2331275.424","M-4":"2202276.345","M-5":"1748250.814","M-6":"2052786.907","M-7":"2066503.748","G-1":"2445232.545","G-2":"2145927.788","G-4":"2676720.165","G-5":"2380210.519","G-6":"2363701.728","G-7":"2364256.717"},{"Metabolite":"Fumarate","M-1":"843369.8122","M-3":"748994.081","M-4":"730540.7571","M-5":"476044.8251","M-6":"420448.1679","M-7":"894694.1559","G-1":"857859.8184","G-2":"1162977.578","G-4":"923850.7099","G-5":"1229747.049","G-6":"830777.4665","G-7":"1578256.603"},{"Metabolite":"Malic acid","M-1":"22108980.08","M-3":"19328863.01","M-4":"20726060.72","M-5":"18614506.36","M-6":"18904180.7","M-7":"20960258.57","G-1":"21685047.71","G-2":"22488028.68","G-4":"23320485.41","G-5":"23345238","G-6":"21663062.83","G-7":"23191530.74"},{"Metabolite":"D-Fructose","M-1":"2445575.712","M-3":"3342083.218","M-4":"2596066.752","M-5":"1863970.718","M-6":"2895747.837","M-7":"2480991.012","G-1":"2898635.726","G-2":"2306808.227","G-4":"2842074.383","G-5":"2917088.777","G-6":"3161895.67","G-7":"2189390.102"},{"Metabolite":"Succinic acid","M-1":"10293883.96","M-3":"11039360.88","M-4":"10661151.27","M-5":"9108569.868","M-6":"14007734.3","M-7":"12099899.93","G-1":"10322404.97","G-2":"11043405.73","G-4":"15637607.51","G-5":"11794805.2","G-6":"16152471.17","G-7":"9709185.817"},{"Metabolite":"Gluconic acid","M-1":"67730.10465","M-3":"83469.80968","M-4":"113102.9895","M-5":"84095.15218","M-6":"59598.30233","M-7":"101128.632","G-1":"86274.71298","G-2":"73545.11188","G-4":"131775.9376","G-5":"175161.0839","G-6":"94043.46465","G-7":"109513.6684"},{"Metabolite":"Glucose","M-1":"3453200.26","M-3":"4056576.207","M-4":"3407530.455","M-5":"3101665.953","M-6":"4123298.188","M-7":"3841600.466","G-1":"4072175.34","G-2":"3374661.022","G-4":"4166156.066","G-5":"3757564.823","G-6":"4611976.391","G-7":"3531337.118"},{"Metabolite":"2-hydroxy-2-phenylpropanoic acid","M-1":"633396.2675","M-3":"476599.989","M-4":"804634.4719","M-5":"1105647.527","M-6":"470868.6053","M-7":"634929.7779","G-1":"709441.2235","G-2":"814818.6217","G-4":"655515.834","G-5":"983600.8236","G-6":"564194.111","G-7":"570318.7426"},{"Metabolite":"p-Hydroxyphenylpropionic acid","M-1":"288898.4919","M-3":"253652.8129","M-4":"516426.0674","M-5":"431988.739","M-6":"120742.2804","M-7":"411942.7118","G-1":"228315.8946","G-2":"232263.049","G-4":"429908.8878","G-5":"277792.666","G-6":"330104.1834","G-7":"364564.8206"},{"Metabolite":"3-Hydroxyphenylpropionic acid","M-1":"633396.2675","M-3":"476599.989","M-4":"804634.4719","M-5":"1105647.527","M-6":"470868.6053","M-7":"634929.7779","G-1":"709441.2235","G-2":"814818.6217","G-4":"655515.834","G-5":"983600.8236","G-6":"564194.111","G-7":"531550.4489"},{"Metabolite":"Docosahexaenoic acid","M-1":"186139.8519","M-3":"167942.3595","M-4":"173444.2973","M-5":"185820.9929","M-6":"151750.9329","M-7":"176675.4474","G-1":"155481.8168","G-2":"159615.7004","G-4":"198064.4012","G-5":"148035.7328","G-6":"157308.8714","G-7":"181711.4826"},{"Metabolite":"Phenyllactic acid","M-1":"151466.7912","M-3":"126050.0094","M-4":"262114.0609","M-5":"207357.7433","M-6":"122072.967","M-7":"96149.93788","G-1":"184208.979","G-2":"101854.256","G-4":"86986.27215","G-5":"95715.52155","G-6":"105778.6531","G-7":"142711.665"},{"Metabolite":"Citramalic acid","M-1":"59105.66189","M-3":"59254.12699","M-4":"70884.84967","M-5":"75344.01181","M-6":"46744.3431","M-7":"47075.89934","G-1":"44151.20247","G-2":"41096.20078","G-4":"66919.44919","G-5":"80960.68998","G-6":"45835.07173","G-7":"69753.51536"},{"Metabolite":"Glutaric acid","M-1":"63142.17921","M-3":"75629.6069","M-4":"86429.68119","M-5":"68563.98679","M-6":"55387.93047","M-7":"65062.23398","G-1":"76791.60217","G-2":"76355.69319","G-4":"102432.5639","G-5":"96176.66158","G-6":"77918.89656","G-7":"90312.66878"}],

"Metabolites":[{"Metabolite":"Citrate","m/z":"191.11","RT":"1.63"},{"Metabolite":"Taurocholic acid","m/z":"514.28","RT":"10.94"},{"Metabolite":"Cinnamoylglycine","m/z":"204.06","RT":"9.53"},{"Metabolite":"Isocitric acid","m/z":"191.02","RT":"1.64"},{"Metabolite":"Taurochenodeoxycholic acid","m/z":"498.29","RT":"12.39"},{"Metabolite":"Citraconic acid","m/z":"129.09","RT":"1.73"},{"Metabolite":"Methylmalonic acid","m/z":"117.02","RT":"2.11"},{"Metabolite":"3-Hydroxybenzoic acid","m/z":"137.02","RT":"6.46"},{"Metabolite":"Uridine","m/z":"243.1","RT":"1.88"},{"Metabolite":"L-Lactate","m/z":"89.02","RT":"1.51"},{"Metabolite":"Oxalic acid","m/z":"89","RT":"1.51"},{"Metabolite":"Malonic acid","m/z":"103","RT":"2.29"},{"Metabolite":"4-Hydroxybenzoic acid","m/z":"137.02","RT":"6.46"},{"Metabolite":"Azelaic acid","m/z":"187.1","RT":"9.8"},{"Metabolite":"Maleic acid","m/z":"115","RT":"1.88"},{"Metabolite":"N-Acetyl-L-tryptophan","m/z":"245.09","RT":"9.06"},{"Metabolite":"Sebacic acid","m/z":"201.1","RT":"11.11"},{"Metabolite":"N-Acetylglutamic acid","m/z":"188.05","RT":"1.83"},{"Metabolite":"Allantoin","m/z":"157.03","RT":"1.01"},{"Metabolite":"dUMP","m/z":"307.03","RT":"1.47"},{"Metabolite":"Indoxyl sulfate","m/z":"212","RT":"6.59"},{"Metabolite":"2'-Deoxyinosine","m/z":"251.1","RT":"3.88"},{"Metabolite":"Cis-Aconitic acid","m/z":"173","RT":"1.73"},{"Metabolite":"D-Glucose 6-phosphate","m/z":"259.02","RT":"1.02"},{"Metabolite":"Flavin adenine dinucleotide","m/z":"784.15","RT":"6.23"},{"Metabolite":"Fumarate","m/z":"115","RT":"1.84"},{"Metabolite":"Malic acid","m/z":"133.01","RT":"1.25"},{"Metabolite":"D-Fructose","m/z":"179.05","RT":"1.51"},{"Metabolite":"Succinic acid","m/z":"117.02","RT":"2.09"},{"Metabolite":"Gluconic acid","m/z":"195.05","RT":"1"},{"Metabolite":"Glucose","m/z":"179.05","RT":"1.51"},{"Metabolite":"2-hydroxy-2-phenylpropanoic acid","m/z":"165.05","RT":"6.91"},{"Metabolite":"p-Hydroxyphenylpropionic acid","m/z":"165.05","RT":"6.91"},{"Metabolite":"3-Hydroxyphenylpropionic acid","m/z":"165.05","RT":"7.08"},{"Metabolite":"Docosahexaenoic acid","m/z":"327.23","RT":"14.98"},{"Metabolite":"Phenyllactic acid","m/z":"165.05","RT":"8.52"},{"Metabolite":"Citramalic acid","m/z":"147.03","RT":"2.15"},{"Metabolite":"Glutaric acid","m/z":"131.03","RT":"3.74"}]
}

}