{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002743","ANALYSIS_ID":"AN004447","VERSION":"1","CREATED_ON":"June 26, 2023, 10:29 am"},

"PROJECT":{"PROJECT_TITLE":"Metabolomics comparison of lung fibroblasts from Pteropus alecto and Homo sapiens","PROJECT_TYPE":"MS quantitative analysis","PROJECT_SUMMARY":"Targeted Metabolomics was performed to identify differences in central carbon metabolism between lung fibroblasts from black flying fox fruit bat Pteropus alecto (PaLung cells) and Humans (WI-38 cells).","INSTITUTE":"Duke-NUS Medical School","LAST_NAME":"Jagannathan","FIRST_NAME":"Narendra Suhas","ADDRESS":"Centre for Computational Biology, 8 College Road, Singapore, Singapore, 169857, Singapore","EMAIL":"gmsnsja@nus.edu.sg","PHONE":"(65) 66015073","PROJECT_COMMENTS":"Metabolomics was performed by commissioning to Human Metabolome Technologies (HMT) service.","CONTRIBUTORS":"Javier Yu Peng Koh, Yoko Itahana, Koji Itahana, Lisa Tucker-Kellogg"},

"STUDY":{"STUDY_TITLE":"Metabolomics comparison of lung fibroblasts from Pteropus alecto and Homo sapiens","STUDY_TYPE":"MS Quantitative analysis","STUDY_SUMMARY":"Targeted Metabolomics was performed to identify differences in central carbon metabolism between lung fibroblasts from black flying fox fruit bat Pteropus alecto (PaLung cells) and Humans (WI-38 cells). For both PaLung and WI-38 cells, metabolomics measurements were carried out for n = 3 biological replicates.","INSTITUTE":"Duke-NUS Medical School","LAST_NAME":"Jagannathan","FIRST_NAME":"Narendra Suhas","ADDRESS":"8 College Road, Singapore, Singapore, 169857, Singapore","EMAIL":"gmsnsja@nus.edu.sg","PHONE":"(65) 66015073"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Pteropus alecto / Homo sapiens"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"WI38-1",
"Factors":{"Genotype":"Wild-type","Species":"H. sapiens"}
},
{
"Subject ID":"-",
"Sample ID":"WI38-2",
"Factors":{"Genotype":"Wild-type","Species":"H. sapiens"}
},
{
"Subject ID":"-",
"Sample ID":"WI38-3",
"Factors":{"Genotype":"Wild-type","Species":"H. sapiens"}
},
{
"Subject ID":"-",
"Sample ID":"PaLung-1",
"Factors":{"Genotype":"Wild-type","Species":"P. alecto"}
},
{
"Subject ID":"-",
"Sample ID":"PaLung-2",
"Factors":{"Genotype":"Wild-type","Species":"P. alecto"}
},
{
"Subject ID":"-",
"Sample ID":"PaLung-3",
"Factors":{"Genotype":"Wild-type","Species":"P. alecto"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"WI-38 and PaLung cells were seeded in a 100 mm dish and harvested 2 days after seeding according to the protocol provided by Human Metabolome Technologies (HMT Japan).","SAMPLE_TYPE":"Cultured fibroblasts"},

"TREATMENT":{"TREATMENT_SUMMARY":"PaLung and WI-38 cells were washed with 5% (w/w) mannitol twice and fixed with methanol containing the internal standard solution. The internal standard solution was provided by HMT. Lysates were centrifuged at 2,300 x g for 5 min at 4°C, and supernatants were filtered using the provided filter units by centrifuging at 9,100 × g for 3 hours at 4 °C. Filtrates were evaporated by SpeedVac Concentrator SPD1010 (Thermo Fisher Scientific) and submitted to HMT for analysis. The total cell numbers at the time of harvest were about 1.4 x 107 cells for each cell line. Targeted quantitative analysis was performed by HMT using capillary electrophoresis mass spectrometry (CE-TOFMS and CE-QqQMS). Absolute abundances (normalized by cell numbers) were obtained for a total of 116 metabolites (54 and 62 metabolites in the cation and anion modes, respectively)."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"PaLung and WI-38 cells were washed with 5% (w/w) mannitol twice and fixed with methanol containing the internal standard solution. The internal standard solution was provided by HMT. Lysates were centrifuged at 2,300 x g for 5 min at 4°C, and supernatants were filtered using the provided filter units by centrifuging at 9,100 × g for 3 hours at 4 °C. Filtrates were evaporated by SpeedVac Concentrator SPD1010 (Thermo Fisher Scientific) and submitted to HMT for analysis. The total cell numbers at the time of harvest were about 1.4 x 107 cells for each cell line. Targeted quantitative analysis was performed by HMT using capillary electrophoresis mass spectrometry (CE-TOFMS and CE-QqQMS). Absolute abundances (normalized by cell numbers) were obtained for a total of 116 metabolites (54 and 62 metabolites in the cation and anion modes, respectively)."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"CE","INSTRUMENT_NAME":"Agilent CE","COLUMN_NAME":"Fused silica capillary, i.d. 50 μm × 80 cm","SOLVENT_A":"NA","SOLVENT_B":"NA","FLOW_GRADIENT":"NA","FLOW_RATE":"NA","COLUMN_TEMPERATURE":"NA"},

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

"MS":{"INSTRUMENT_NAME":"Agilent CE-TOFMS","INSTRUMENT_TYPE":"Other","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Peaks detected in CE-TOFMS analysis were extracted using automatic integration software (MasterHands ver.2.18.0.1 developed at Keio University) (4) and those in CE-QqQMS analysis were extracted using automatic integration software (MassHunter Quantitative Analysis B.06.00 Agilent Technologies, Santa Clara, CA, USA) in order to obtain peak information, which includes m/z, migration time (MT), and peak area."},

"MS_METABOLITE_DATA":{
"Units":"pmol/10^6 cells",

"Data":[{"Metabolite":"Urea","WI38-1":"N.D.","WI38-2":"N.D.","WI38-3":"N.D.","PaLung-1":"N.D.","PaLung-2":"N.D.","PaLung-3":"N.D."},{"Metabolite":"Gly","WI38-1":"24307.2","WI38-2":"22607.3","WI38-3":"21737.1","PaLung-1":"9857.7","PaLung-2":"10531.9","PaLung-3":"10572.5"},{"Metabolite":"Putrescine","WI38-1":"N.D.","WI38-2":"N.D.","WI38-3":"N.D.","PaLung-1":"N.D.","PaLung-2":"N.D.","PaLung-3":"N.D."},{"Metabolite":"Ala","WI38-1":"41203.7","WI38-2":"38676.5","WI38-3":"40866.5","PaLung-1":"11938.4","PaLung-2":"11644.3","PaLung-3":"11543.4"},{"Metabolite":"Beta-Ala","WI38-1":"422.1","WI38-2":"428.3","WI38-3":"423.1","PaLung-1":"1977.6","PaLung-2":"1877.6","PaLung-3":"2113.9"},{"Metabolite":"Sarcosine","WI38-1":"224.5","WI38-2":"129.5","WI38-3":"209.1","PaLung-1":"N.D.","PaLung-2":"N.D.","PaLung-3":"N.D."},{"Metabolite":"N,N-Dimethylglycine","WI38-1":"N.D.","WI38-2":"N.D.","WI38-3":"N.D.","PaLung-1":"N.D.","PaLung-2":"N.D.","PaLung-3":"N.D."},{"Metabolite":"Gamma-Aminobutyric acid","WI38-1":"250.0","WI38-2":"238.6","WI38-3":"274.4","PaLung-1":"527.0","PaLung-2":"452.8","PaLung-3":"468.6"},{"Metabolite":"Choline","WI38-1":"127.7","WI38-2":"90.7","WI38-3":"52.5","PaLung-1":"858.6","PaLung-2":"842.8","PaLung-3":"795.2"},{"Metabolite":"Ser","WI38-1":"41175.2","WI38-2":"38109.1","WI38-3":"38737.3","PaLung-1":"13256.0","PaLung-2":"13219.5","PaLung-3":"12711.0"},{"Metabolite":"Carnosine","WI38-1":"N.D.","WI38-2":"N.D.","WI38-3":"N.D.","PaLung-1":"1183.7","PaLung-2":"1137.9","PaLung-3":"1258.7"},{"Metabolite":"Creatinine","WI38-1":"227.0","WI38-2":"224.2","WI38-3":"242.6","PaLung-1":"456.7","PaLung-2":"313.9","PaLung-3":"342.8"},{"Metabolite":"Pro","WI38-1":"17069.0","WI38-2":"16121.9","WI38-3":"17025.3","PaLung-1":"13000.1","PaLung-2":"11737.3","PaLung-3":"11132.3"},{"Metabolite":"Val","WI38-1":"16022.6","WI38-2":"14944.9","WI38-3":"16280.9","PaLung-1":"7668.2","PaLung-2":"6689.5","PaLung-3":"6315.9"},{"Metabolite":"Betaine","WI38-1":"429.0","WI38-2":"417.3","WI38-3":"417.3","PaLung-1":"N.D.","PaLung-2":"184.1","PaLung-3":"187.3"},{"Metabolite":"Homoserine","WI38-1":"23.6","WI38-2":"24.8","WI38-3":"24.4","PaLung-1":"N.D.","PaLung-2":"N.D.","PaLung-3":"N.D."},{"Metabolite":"Thr","WI38-1":"72006.1","WI38-2":"65802.5","WI38-3":"65521.4","PaLung-1":"18867.8","PaLung-2":"18793.6","PaLung-3":"17106.3"},{"Metabolite":"Betaine aldehyde","WI38-1":"N.D.","WI38-2":"N.D.","WI38-3":"N.D.","PaLung-1":"N.D.","PaLung-2":"N.D.","PaLung-3":"N.D."},{"Metabolite":"Cys","WI38-1":"N.D.","WI38-2":"N.D.","WI38-3":"N.D.","PaLung-1":"N.D.","PaLung-2":"N.D.","PaLung-3":"N.D."},{"Metabolite":"Hydroxyproline","WI38-1":"1001.8","WI38-2":"909.0","WI38-3":"940.6","PaLung-1":"642.2","PaLung-2":"560.8","PaLung-3":"571.5"},{"Metabolite":"Creatine","WI38-1":"3846.0","WI38-2":"3768.5","WI38-3":"4270.7","PaLung-1":"22335.2","PaLung-2":"18029.6","PaLung-3":"18300.5"},{"Metabolite":"Leu","WI38-1":"23711.8","WI38-2":"23523.0","WI38-3":"23828.8","PaLung-1":"8223.7","PaLung-2":"8006.9","PaLung-3":"7463.5"},{"Metabolite":"Ile","WI38-1":"15459.3","WI38-2":"15474.3","WI38-3":"15853.3","PaLung-1":"6871.8","PaLung-2":"6553.0","PaLung-3":"6036.0"},{"Metabolite":"Asn","WI38-1":"973.3","WI38-2":"1005.4","WI38-3":"1074.4","PaLung-1":"576.5","PaLung-2":"476.9","PaLung-3":"501.9"},{"Metabolite":"Ornithine","WI38-1":"178.8","WI38-2":"185.8","WI38-3":"196.4","PaLung-1":"302.1","PaLung-2":"253.7","PaLung-3":"271.2"},{"Metabolite":"Asp","WI38-1":"15632.0","WI38-2":"15511.5","WI38-3":"15818.9","PaLung-1":"3632.8","PaLung-2":"3454.4","PaLung-3":"3153.5"},{"Metabolite":"Homocysteine","WI38-1":"N.D.","WI38-2":"N.D.","WI38-3":"N.D.","PaLung-1":"N.D.","PaLung-2":"N.D.","PaLung-3":"N.D."},{"Metabolite":"Adenine","WI38-1":"N.D.","WI38-2":"N.D.","WI38-3":"N.D.","PaLung-1":"N.D.","PaLung-2":"N.D.","PaLung-3":"N.D."},{"Metabolite":"Hypoxanthine","WI38-1":"N.D.","WI38-2":"N.D.","WI38-3":"N.D.","PaLung-1":"253.9","PaLung-2":"242.1","PaLung-3":"252.3"},{"Metabolite":"Spermidine","WI38-1":"68.4","WI38-2":"45.1","WI38-3":"43.2","PaLung-1":"N.D.","PaLung-2":"N.D.","PaLung-3":"N.D."},{"Metabolite":"Gln","WI38-1":"22904.3","WI38-2":"22961.9","WI38-3":"23511.8","PaLung-1":"4120.1","PaLung-2":"3821.3","PaLung-3":"4147.9"},{"Metabolite":"Lys","WI38-1":"1550.7","WI38-2":"1441.7","WI38-3":"1443.2","PaLung-1":"1061.2","PaLung-2":"910.5","PaLung-3":"928.8"},{"Metabolite":"Glu","WI38-1":"126774.1","WI38-2":"124192.7","WI38-3":"130893.5","PaLung-1":"69337.8","PaLung-2":"67267.4","PaLung-3":"64394.4"},{"Metabolite":"Met","WI38-1":"91.7","WI38-2":"210.7","WI38-3":"74.8","PaLung-1":"N.D.","PaLung-2":"N.D.","PaLung-3":"N.D."},{"Metabolite":"Guanine","WI38-1":"N.D.","WI38-2":"N.D.","WI38-3":"N.D.","PaLung-1":"N.D.","PaLung-2":"N.D.","PaLung-3":"N.D."},{"Metabolite":"His","WI38-1":"8159.1","WI38-2":"7417.6","WI38-3":"7001.5","PaLung-1":"2452.4","PaLung-2":"2272.4","PaLung-3":"2345.2"},{"Metabolite":"Carnitine","WI38-1":"47.6","WI38-2":"54.7","WI38-3":"68.0","PaLung-1":"213.6","PaLung-2":"175.1","PaLung-3":"161.3"},{"Metabolite":"Phe","WI38-1":"11686.6","WI38-2":"10972.6","WI38-3":"11209.7","PaLung-1":"3545.7","PaLung-2":"3489.9","PaLung-3":"3340.1"},{"Metabolite":"Arg","WI38-1":"1192.2","WI38-2":"1128.8","WI38-3":"1141.6","PaLung-1":"535.3","PaLung-2":"433.8","PaLung-3":"436.1"},{"Metabolite":"Citrulline","WI38-1":"348.1","WI38-2":"353.2","WI38-3":"350.7","PaLung-1":"150.4","PaLung-2":"114.6","PaLung-3":"132.3"},{"Metabolite":"Tyr","WI38-1":"10158.3","WI38-2":"9696.5","WI38-3":"10487.8","PaLung-1":"3178.2","PaLung-2":"3107.7","PaLung-3":"2833.0"},{"Metabolite":"S-Adenosylhomocysteine","WI38-1":"N.D.","WI38-2":"N.D.","WI38-3":"N.D.","PaLung-1":"N.D.","PaLung-2":"N.D.","PaLung-3":"N.D."},{"Metabolite":"Spermine","WI38-1":"16.4","WI38-2":"N.D.","WI38-3":"N.D.","PaLung-1":"N.D.","PaLung-2":"N.D.","PaLung-3":"N.D."},{"Metabolite":"Trp","WI38-1":"260.4","WI38-2":"287.5","WI38-3":"320.8","PaLung-1":"147.1","PaLung-2":"N.D.","PaLung-3":"102.9"},{"Metabolite":"Cystathionine","WI38-1":"N.D.","WI38-2":"N.D.","WI38-3":"N.D.","PaLung-1":"N.D.","PaLung-2":"N.D.","PaLung-3":"N.D."},{"Metabolite":"Adenosine","WI38-1":"104.7","WI38-2":"87.7","WI38-3":"99.9","PaLung-1":"119.9","PaLung-2":"103.7","PaLung-3":"116.7"},{"Metabolite":"Inosine","WI38-1":"N.D.","WI38-2":"N.D.","WI38-3":"N.D.","PaLung-1":"N.D.","PaLung-2":"544.2","PaLung-3":"649.8"},{"Metabolite":"Guanosine","WI38-1":"N.D.","WI38-2":"N.D.","WI38-3":"N.D.","PaLung-1":"N.D.","PaLung-2":"N.D.","PaLung-3":"N.D."},{"Metabolite":"Argininosuccinic acid","WI38-1":"83.8","WI38-2":"97.7","WI38-3":"98.5","PaLung-1":"N.D.","PaLung-2":"N.D.","PaLung-3":"N.D."},{"Metabolite":"Glutathione (GSSG)","WI38-1":"3308.3","WI38-2":"3245.4","WI38-3":"3437.3","PaLung-1":"4507.3","PaLung-2":"3799.0","PaLung-3":"3736.9"},{"Metabolite":"Glutathione (GSH)","WI38-1":"492.8","WI38-2":"475.2","WI38-3":"485.8","PaLung-1":"1029.6","PaLung-2":"853.6","PaLung-3":"916.7"},{"Metabolite":"S-Adenosylmethionine","WI38-1":"187.2","WI38-2":"190.9","WI38-3":"170.0","PaLung-1":"181.5","PaLung-2":"160.3","PaLung-3":"170.8"}],

"Metabolites":[{"Metabolite":"Urea","PubChem ID":"1176","HMDB ID":"HMDB0000294"},{"Metabolite":"Gly","PubChem ID":"750","HMDB ID":"HMDB0000123"},{"Metabolite":"Putrescine","PubChem ID":"1045","HMDB ID":"HMDB0001414"},{"Metabolite":"Ala","PubChem ID":"602","HMDB ID":"HMDB0000161,HMDB0001310"},{"Metabolite":"Beta-Ala","PubChem ID":"239","HMDB ID":"HMDB0000056"},{"Metabolite":"Sarcosine","PubChem ID":"1088","HMDB ID":"HMDB0000271"},{"Metabolite":"N,N-Dimethylglycine","PubChem ID":"673","HMDB ID":"HMDB0000092"},{"Metabolite":"Gamma-Aminobutyric acid","PubChem ID":"119","HMDB ID":"HMDB0000112"},{"Metabolite":"Choline","PubChem ID":"305","HMDB ID":"HMDB0000097"},{"Metabolite":"Ser","PubChem ID":"617","HMDB ID":"HMDB0000187,HMDB0003406"},{"Metabolite":"Carnosine","PubChem ID":"439224","HMDB ID":"HMDB0000033"},{"Metabolite":"Creatinine","PubChem ID":"588","HMDB ID":"HMDB0000562"},{"Metabolite":"Pro","PubChem ID":"614","HMDB ID":"HMDB0000162,HMDB0003411"},{"Metabolite":"Val","PubChem ID":"1182","HMDB ID":"HMDB0000883"},{"Metabolite":"Betaine","PubChem ID":"247","HMDB ID":"HMDB0000043"},{"Metabolite":"Homoserine","PubChem ID":"12647","HMDB ID":"HMDB0000719"},{"Metabolite":"Thr","PubChem ID":"6288","HMDB ID":"HMDB0000167"},{"Metabolite":"Betaine aldehyde","PubChem ID":"249","HMDB ID":"HMDB0001252"},{"Metabolite":"Cys","PubChem ID":"594","HMDB ID":"HMDB0000574,HMDB0003417"},{"Metabolite":"Hydroxyproline","PubChem ID":"5810","HMDB ID":"HMDB0000725"},{"Metabolite":"Creatine","PubChem ID":"586","HMDB ID":"HMDB0000064"},{"Metabolite":"Leu","PubChem ID":"857","HMDB ID":"HMDB0000687"},{"Metabolite":"Ile","PubChem ID":"791","HMDB ID":"HMDB0000172"},{"Metabolite":"Asn","PubChem ID":"236","HMDB ID":"HMDB0000168,HMDB0033780"},{"Metabolite":"Ornithine","PubChem ID":"389","HMDB ID":"HMDB0000214,HMDB0003374"},{"Metabolite":"Asp","PubChem ID":"424","HMDB ID":"HMDB0000191,HMDB0006483"},{"Metabolite":"Homocysteine","PubChem ID":"778","HMDB ID":"HMDB0000742"},{"Metabolite":"Adenine","PubChem ID":"190","HMDB ID":"HMDB0000034"},{"Metabolite":"Hypoxanthine","PubChem ID":"790","HMDB ID":"HMDB0000157"},{"Metabolite":"Spermidine","PubChem ID":"1102","HMDB ID":"HMDB0001257"},{"Metabolite":"Gln","PubChem ID":"738","HMDB ID":"HMDB0000641,HMDB0003423"},{"Metabolite":"Lys","PubChem ID":"866","HMDB ID":"HMDB0000182,HMDB0003405"},{"Metabolite":"Glu","PubChem ID":"611","HMDB ID":"HMDB0000148,HMDB0003339"},{"Metabolite":"Met","PubChem ID":"876","HMDB ID":"HMDB0000696"},{"Metabolite":"Guanine","PubChem ID":"764","HMDB ID":"HMDB0000132"},{"Metabolite":"His","PubChem ID":"773","HMDB ID":"HMDB0000177"},{"Metabolite":"Carnitine","PubChem ID":"85","HMDB ID":"HMDB0000062"},{"Metabolite":"Phe","PubChem ID":"994","HMDB ID":"HMDB0000159"},{"Metabolite":"Arg","PubChem ID":"6322","HMDB ID":"HMDB0000517,HMDB0003416"},{"Metabolite":"Citrulline","PubChem ID":"9750","HMDB ID":"HMDB0000904"},{"Metabolite":"Tyr","PubChem ID":"1153","HMDB ID":"HMDB0000158"},{"Metabolite":"S-Adenosylhomocysteine","PubChem ID":"439155","HMDB ID":"HMDB0000939"},{"Metabolite":"Spermine","PubChem ID":"1103","HMDB ID":"HMDB0001256"},{"Metabolite":"Trp","PubChem ID":"1148","HMDB ID":"HMDB0000929"},{"Metabolite":"Cystathionine","PubChem ID":"834","HMDB ID":"HMDB0000099"},{"Metabolite":"Adenosine","PubChem ID":"60961","HMDB ID":"HMDB0000050"},{"Metabolite":"Inosine","PubChem ID":"6021","HMDB ID":"HMDB0000195"},{"Metabolite":"Guanosine","PubChem ID":"6802","HMDB ID":"HMDB0000133"},{"Metabolite":"Argininosuccinic acid","PubChem ID":"16950","HMDB ID":"HMDB0000052"},{"Metabolite":"Glutathione (GSSG)","PubChem ID":"65359","HMDB ID":"HMDB0003337"},{"Metabolite":"Glutathione (GSH)","PubChem ID":"124886","HMDB ID":"HMDB0000125"},{"Metabolite":"S-Adenosylmethionine","PubChem ID":"34755","HMDB ID":"HMDB0001185"}]
}

}