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{
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{
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{
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{
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{
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{
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{
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{
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{
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{
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{
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"Sample ID":"MB0573",
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},
{
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{
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},
{
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},
{
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],
"COLLECTION":{"COLLECTION_SUMMARY":"Blood samples were collected by trained nurses on site, and stored at -80℃.","SAMPLE_TYPE":"Blood (serum)","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"N/A"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"see protocol.","SAMPLEPREP_PROTOCOL_FILENAME":"zhengjusheng_SP_Methods_Description_Q300_metabolite_assay_kit.docx"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"UPLC","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"Waters Acquity UPLC BEH C18(100*2.1mm, 1.7um)"},

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

"MS":{"INSTRUMENT_NAME":"Waters Xevo-TQ-S","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"Capillary (Kv):1.5 (ESI+), 2.0 (ESI-) Source Temp (°C):150 Desolvation Temp(°C):550 Desolvation Gas Flow (L/Hr):1000"},

"MS_METABOLITE_DATA":{
"Units":"umol/L",

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"Metabolites":[{"Metabolite":"10Z-Heptadecenoic acid","Group":"Fatty acids","Retention time (min)":"12.737","PubChem ID":"5312435","quantified m/z":"267.2","KEGG ID":"","HMDB":"HMDB0060038"},{"Metabolite":"12-hydroxystearic acid","Group":"Fatty acids","Retention time (min)":"11.762","PubChem ID":"7789","quantified m/z":"299.3","KEGG ID":"","HMDB":"HMDB0061706"},{"Metabolite":"2-Hydroxy-2-methylbutyric acid","Group":"Amino acids","Retention time (min)":"4.07","PubChem ID":"95433","quantified m/z":"117.1","KEGG ID":"","HMDB":"HMDB0001987"},{"Metabolite":"2-Hydroxy-3-methylbutyric acid","Group":"Fatty acids","Retention time (min)":"5.338","PubChem ID":"99823","quantified m/z":"119.1","KEGG ID":"","HMDB":"HMDB0000407"},{"Metabolite":"2-Hydroxybutyric acid","Group":"Organic acids","Retention time (min)":"4.325","PubChem ID":"440864","quantified m/z":"103","KEGG ID":"C05984","HMDB":"HMDB0000008"},{"Metabolite":"2-Hydroxycaproic acid","Group":"Fatty acids","Retention time (min)":"6.546","PubChem ID":"99824","quantified m/z":"133.1","KEGG ID":"","HMDB":"HMDB0001624"},{"Metabolite":"2-Methylbutyroylcarnitine","Group":"Amino acids","Retention time (min)":"5.165","PubChem ID":"6426901","quantified m/z":"246.2","KEGG ID":"","HMDB":"HMDB0000378"},{"Metabolite":"2-Phenylpropionate","Group":"Phenylpropanoic acids","Retention time (min)":"7.583","PubChem ID":"10296","quantified m/z":"151.1","KEGG ID":"","HMDB":"HMDB0011743"},{"Metabolite":"3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid","Group":"Phenylpropanoic acids","Retention time (min)":"4.65","PubChem ID":"102959","quantified m/z":"181.1","KEGG ID":"","HMDB":"HMDB0002643"},{"Metabolite":"3-Hydroxybutyric acid","Group":"Organic acids","Retention time (min)":"3.575","PubChem ID":"92135","quantified m/z":"103","KEGG ID":"C01089","HMDB":"HMDB0000357"},{"Metabolite":"3-Hydroxyisovaleric acid","Group":"Fatty acids","Retention time (min)":"4.293","PubChem ID":"69362","quantified m/z":"117.1","KEGG ID":"","HMDB":"HMDB0000754"},{"Metabolite":"3-Hydroxylisovalerylcarnitine","Group":"Carnitines","Retention time (min)":"3.724","PubChem ID":"53915061","quantified m/z":"262.2","KEGG ID":"","HMDB":"HMDB0061189"},{"Metabolite":"Indole-3-propionic acid","Group":"Indoles","Retention time (min)":"7.264","PubChem ID":"3744","quantified m/z":"190.1","KEGG ID":"","HMDB":"HMDB0002302"},{"Metabolite":"3-Methy2-oxovaleric acid","Group":"Organic acids","Retention time (min)":"9.915","PubChem ID":"47","quantified m/z":"131.1","KEGG ID":"C00671","HMDB":"HMDB0000491"},{"Metabolite":"3-Methyladipic acid","Group":"Fatty acids","Retention time (min)":"7.002","PubChem ID":"6999745","quantified m/z":"159.1","KEGG ID":"","HMDB":"HMDB0000555"},{"Metabolite":"4-Hydroxyphenylpyruvic acid","Group":"Benzenoids","Retention time (min)":"8.689","PubChem ID":"979","quantified m/z":"181","KEGG ID":"C01179","HMDB":"HMDB0000707"},{"Metabolite":"5-Aminolevulinic acid","Group":"Amino acids","Retention time (min)":"3.375","PubChem ID":"137","quantified m/z":"130.1","KEGG ID":"C00430","HMDB":"HMDB0001149"},{"Metabolite":"5Z-Dodecenoic acid","Group":"Fatty acids","Retention time (min)":"11.302","PubChem ID":"5312378","quantified m/z":"197.2","KEGG ID":"","HMDB":"HMDB0000529"},{"Metabolite":"5-Hydroxy-tryptophan","Group":"Indoles","Retention time (min)":"3.571","PubChem ID":"439280","quantified m/z":"221.1","KEGG ID":"C00643","HMDB":"HMDB0000472"},{"Metabolite":"Dihomo-gamma-linolenic acid","Group":"Fatty acids","Retention time (min)":"12.729","PubChem ID":"5280581","quantified m/z":"305.3","KEGG ID":"C03242","HMDB":"HMDB0002925"},{"Metabolite":"Acetic acid","Group":"Fatty acids","Retention time (min)":"3.476","PubChem ID":"176","quantified m/z":"59","KEGG ID":"C00033","HMDB":"HMDB0000042"},{"Metabolite":"Acetoacetic acid","Group":"Organic acids","Retention time (min)":"9.82","PubChem ID":"96","quantified m/z":"101","KEGG ID":"C00164","HMDB":"HMDB0000060"},{"Metabolite":"Acetylglycine","Group":"Amino acids","Retention time (min)":"2.849","PubChem ID":"10972","quantified m/z":"116","KEGG ID":"","HMDB":"HMDB0000532"},{"Metabolite":"Adenosine monophosphate","Group":"Nucleosides","Retention time (min)":"2.33","PubChem ID":"6083","quantified m/z":"348.1","KEGG ID":"C00020","HMDB":"HMDB0000045"},{"Metabolite":"Adipic acid","Group":"Fatty acids","Retention time (min)":"6.504","PubChem ID":"196","quantified m/z":"145.1","KEGG ID":"C06104","HMDB":"HMDB0000448"},{"Metabolite":"Adipoylcarnitine","Group":"Carnitines","Retention time (min)":"5.395","PubChem ID":"91826562","quantified m/z":"290.2","KEGG ID":"","HMDB":"HMDB0061677"},{"Metabolite":"Adrenic acid","Group":"Fatty acids","Retention time (min)":"12.921","PubChem ID":"5497181","quantified m/z":"331.3","KEGG ID":"C16527","HMDB":"HMDB0002226"},{"Metabolite":"alpha-Hydroxyisobutyric acid","Group":"Organic acids","Retention time (min)":"3.91","PubChem ID":"11671","quantified m/z":"103","KEGG ID":"","HMDB":"HMDB0000729"},{"Metabolite":"Alpha-ketoisovaleric acid","Group":"Organic acids","Retention time (min)":"9.35","PubChem ID":"49","quantified m/z":"117","KEGG ID":"C00141","HMDB":"HMDB0000019"},{"Metabolite":"Alpha-Linolenic acid","Group":"Fatty acids","Retention time (min)":"12.197","PubChem ID":"5280934","quantified m/z":"277.2","KEGG ID":"C06427","HMDB":"HMDB0001388"},{"Metabolite":"Phenylacetylglutamine","Group":"Amino acids","Retention time (min)":"8.802","PubChem ID":"92258","quantified m/z":"265.1","KEGG ID":"C04148","HMDB":"HMDB0006344"},{"Metabolite":"Aminoadipic acid","Group":"Amino acids","Retention time (min)":"4.973","PubChem ID":"92136","quantified m/z":"162.1","KEGG ID":"C00956","HMDB":"HMDB0000510"},{"Metabolite":"Arachidonic acid","Group":"Fatty acids","Retention time (min)":"12.511","PubChem ID":"444899","quantified m/z":"303.2","KEGG ID":"C00219","HMDB":"HMDB0001043"},{"Metabolite":"Azelaic acid","Group":"Fatty 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acids","Retention time (min)":"7.764","PubChem ID":"8892","quantified m/z":"115.1","KEGG ID":"C01585","HMDB":"HMDB0000535"},{"Metabolite":"Carnitine","Group":"Carnitines","Retention time (min)":"1.688","PubChem ID":"10917","quantified m/z":"162.1","KEGG ID":"C00318","HMDB":"HMDB0000062"},{"Metabolite":"Chenodeoxycholic acid","Group":"Bile acids","Retention time (min)":"10.969","PubChem ID":"10133","quantified m/z":"391.3","KEGG ID":"C02528","HMDB":"HMDB0000518"},{"Metabolite":"Cholic acid","Group":"Bile acids","Retention time (min)":"10.291","PubChem ID":"221493","quantified m/z":"407.3","KEGG ID":"C00695","HMDB":"HMDB0000619"},{"Metabolite":"Cinnamic acid","Group":"Organic acids","Retention time (min)":"7.7","PubChem ID":"5372954","quantified m/z":"149.1","KEGG ID":"C10438","HMDB":""},{"Metabolite":"cis-Aconitic acid","Group":"Organic acids","Retention time (min)":"6.14","PubChem ID":"643757","quantified m/z":"173","KEGG ID":"C00417","HMDB":"HMDB0000072"},{"Metabolite":"Citramalic 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ID":"C01571","HMDB":"HMDB0000511"},{"Metabolite":"Decanoylcarnitine","Group":"Carnitines","Retention time (min)":"9.53","PubChem ID":"10245190","quantified m/z":"316.2","KEGG ID":"","HMDB":"HMDB0000651"},{"Metabolite":"Deoxycholic acid","Group":"Bile acids","Retention time (min)":"11.143","PubChem ID":"222528","quantified m/z":"391.3","KEGG ID":"C04483","HMDB":"HMDB0000626"},{"Metabolite":"Fructose","Group":"Carbohydrates","Retention time (min)":"3.829","PubChem ID":"439709","quantified m/z":"179.1","KEGG ID":"C02336","HMDB":"HMDB0000660"},{"Metabolite":"Gluconolactone","Group":"Carbohydrates","Retention time (min)":"1.886","PubChem ID":"7027","quantified m/z":"177","KEGG ID":"C00198","HMDB":"HMDB0000150"},{"Metabolite":"Glucose","Group":"Carbohydrates","Retention time (min)":"3.37","PubChem ID":"64689","quantified m/z":"179.1","KEGG ID":"C00221","HMDB":"HMDB0000122"},{"Metabolite":"Dimethylglycine","Group":"Amino acids","Retention time (min)":"1.679","PubChem ID":"673","quantified m/z":"104.1","KEGG ID":"C01026","HMDB":"HMDB0000092"},{"Metabolite":"D-Maltose and Alpha-Lactose","Group":"Carbohydrates","Retention time (min)":"3.286","PubChem ID":"10991489/84571","quantified m/z":"341.1","KEGG ID":"C00208/C00243","HMDB":"HMDB0000163/HMDB0000186"},{"Metabolite":"Docosahexaenoic acid DHA","Group":"Fatty acids","Retention time (min)":"12.381","PubChem ID":"445580","quantified m/z":"327.2","KEGG ID":"C06429","HMDB":"HMDB0002183"},{"Metabolite":"Docosapentaenoic acid (22n-6)","Group":"Fatty acids","Retention time (min)":"12.748","PubChem ID":"6441454","quantified m/z":"329.3","KEGG ID":"","HMDB":"HMDB0001976"},{"Metabolite":"Docosapentaenoic acid (22n-3)","Group":"Fatty acids","Retention time (min)":"12.6","PubChem ID":"5497182","quantified m/z":"329.3","KEGG ID":"C16513","HMDB":"HMDB0006528"},{"Metabolite":"Dodecanoic acid","Group":"Fatty acids","Retention time (min)":"11.725","PubChem ID":"3893","quantified m/z":"199.2","KEGG ID":"C02679","HMDB":"HMDB0000638"},{"Metabolite":"Xylose","Group":"Carbohydrates","Retention time (min)":"3.902","PubChem ID":"135191","quantified m/z":"149.1","KEGG ID":"C00181","HMDB":"HMDB0000098"},{"Metabolite":"Xylulose","Group":"Carbohydrates","Retention time (min)":"4.186","PubChem ID":"12358757","quantified m/z":"149.1","KEGG ID":"C00310","HMDB":"HMDB0001644"},{"Metabolite":"Eicosapentaenoic acid EPA","Group":"Fatty acids","Retention time (min)":"12.2","PubChem ID":"446284","quantified m/z":"301.2","KEGG ID":"C06428","HMDB":"HMDB0001999"},{"Metabolite":"Erythronic acid","Group":"Carbohydrates","Retention time (min)":"2.05","PubChem ID":"2781043","quantified m/z":"135","KEGG ID":"","HMDB":"HMDB0000613"},{"Metabolite":"Fructose 1,6-bisphosphate","Group":"Carbohydrates","Retention time (min)":"7.677","PubChem ID":"10267","quantified m/z":"339","KEGG ID":"C05378","HMDB":"HMDB0001058"},{"Metabolite":"Fumaric acid","Group":"Organic acids","Retention time (min)":"6.666","PubChem ID":"444972","quantified m/z":"117","KEGG ID":"C00122","HMDB":"HMDB0000134"},{"Metabolite":"Galactonic acid","Group":"Organic acids","Retention time (min)":"1.749","PubChem ID":"128869","quantified m/z":"195.1","KEGG ID":"C00880","HMDB":"HMDB0000565"},{"Metabolite":"Gamma-Aminobutyric acid","Group":"Amino acids","Retention time (min)":"1.767","PubChem ID":"119","quantified m/z":"104.1","KEGG ID":"C00334","HMDB":"HMDB0000112"},{"Metabolite":"Gamma-Linolenic acid","Group":"Fatty acids","Retention time (min)":"12.284","PubChem ID":"5280933","quantified m/z":"277.2","KEGG ID":"C06426","HMDB":"HMDB0003073"},{"Metabolite":"Sulfolithocholylglycine","Group":"Bile acids","Retention time (min)":"10.62","PubChem ID":"72222","quantified m/z":"512.3","KEGG ID":"C11301","HMDB":"HMDB0002639"},{"Metabolite":"Glucaric acid","Group":"Carbohydrates","Retention time (min)":"5.004","PubChem ID":"33037","quantified m/z":"211","KEGG ID":"C00818","HMDB":"HMDB0000663"},{"Metabolite":"Glutaconic acid","Group":"Organic acids","Retention time (min)":"3.776","PubChem ID":"5280498","quantified m/z":"129","KEGG ID":"C02214","HMDB":"HMDB0000620"},{"Metabolite":"Glutaric acid","Group":"Organic acids","Retention time (min)":"6.329","PubChem ID":"743","quantified m/z":"133","KEGG ID":"C00489","HMDB":"HMDB0000661"},{"Metabolite":"Glutarylcarnitine","Group":"Carnitines","Retention time (min)":"5.229","PubChem ID":"53481699","quantified m/z":"276.1","KEGG ID":"","HMDB":"HMDB0013130"},{"Metabolite":"Glyceric acid","Group":"Carbohydrates","Retention time (min)":"2.359","PubChem ID":"439194","quantified m/z":"105","KEGG ID":"C00258","HMDB":"HMDB0000139"},{"Metabolite":"Glycine","Group":"Amino acids","Retention time (min)":"1.41","PubChem ID":"750","quantified m/z":"76","KEGG ID":"C00037","HMDB":"HMDB0000123"},{"Metabolite":"Chenodeoxycholic acid glycine conjugate","Group":"Bile acids","Retention time (min)":"10.626","PubChem ID":"12544","quantified m/z":"448.3","KEGG ID":"C05466","HMDB":"HMDB0000637"},{"Metabolite":"Glycocholic acid","Group":"Bile acids","Retention time (min)":"9.825","PubChem ID":"10140","quantified m/z":"464.3","KEGG ID":"C01921","HMDB":"HMDB0000138"},{"Metabolite":"Deoxycholic acid glycine conjugate","Group":"Bile acids","Retention time (min)":"10.854","PubChem ID":"22833539","quantified m/z":"448.3","KEGG ID":"C05464","HMDB":"HMDB0000631"},{"Metabolite":"Glycohyocholic acid","Group":"Bile acids","Retention time (min)":"9.149","PubChem ID":"71361462","quantified m/z":"464.6","KEGG ID":"","HMDB":"HMDB0240607"},{"Metabolite":"Glycolic acid","Group":"Organic acids","Retention time (min)":"2.715","PubChem ID":"757","quantified m/z":"75","KEGG ID":"C00160","HMDB":"HMDB0000115"},{"Metabolite":"Glycoursodeoxycholic acid","Group":"Bile acids","Retention time (min)":"9.453","PubChem ID":"12310288","quantified m/z":"448.3","KEGG ID":"","HMDB":"HMDB0000708"},{"Metabolite":"Glycylproline","Group":"Amino acids","Retention time (min)":"2.702","PubChem ID":"3013625","quantified m/z":"173.1","KEGG ID":"","HMDB":"HMDB0000721"},{"Metabolite":"Guanidoacetic acid","Group":"Amino acids","Retention time (min)":"1.656","PubChem ID":"763","quantified m/z":"116.1","KEGG ID":"C00581","HMDB":"HMDB0000128"},{"Metabolite":"Heptadecanoic acid","Group":"Fatty acids","Retention time (min)":"13.29","PubChem ID":"10465","quantified m/z":"269.3","KEGG ID":"","HMDB":"HMDB0002259"},{"Metabolite":"Hexanoylcarnitine","Group":"Carnitines","Retention time (min)":"6.301","PubChem ID":"3246938","quantified m/z":"260.2","KEGG ID":"","HMDB":"HMDB0000756"},{"Metabolite":"Hippuric acid","Group":"Benzenoids","Retention time (min)":"5.664","PubChem ID":"464","quantified m/z":"180.1","KEGG ID":"C01586","HMDB":"HMDB0000714"},{"Metabolite":"Homovanillic acid","Group":"Benzenoids","Retention time (min)":"4.685","PubChem ID":"1738","quantified m/z":"181.1","KEGG ID":"C05582","HMDB":"HMDB0000118"},{"Metabolite":"Hydrocinnamic acid","Group":"Phenylpropanoic acids","Retention time (min)":"7.585","PubChem ID":"107","quantified m/z":"151.1","KEGG ID":"C05629","HMDB":"HMDB0000764"},{"Metabolite":"Hydroxyphenyllactic acid","Group":"Phenylpropanoic acids","Retention time (min)":"4.683","PubChem ID":"9378","quantified m/z":"183.1","KEGG ID":"C03672","HMDB":"HMDB0000755"},{"Metabolite":"Hydroxypropionic acid","Group":"Organic acids","Retention time (min)":"2.933","PubChem ID":"68152","quantified m/z":"91","KEGG ID":"C01013","HMDB":"HMDB0000700"},{"Metabolite":"Hyodeoxycholic acid","Group":"Bile acids","Retention time (min)":"10.2","PubChem ID":"9963687","quantified m/z":"391.3","KEGG ID":"","HMDB":"HMDB0000733"},{"Metabolite":"Indoleacetic acid","Group":"Indoles","Retention time (min)":"6.725","PubChem ID":"802","quantified m/z":"176.1","KEGG ID":"C00954","HMDB":"HMDB0000197"},{"Metabolite":"Isocaproic acid","Group":"Fatty acids","Retention time (min)":"7.592","PubChem ID":"12587","quantified m/z":"115.1","KEGG ID":"","HMDB":"HMDB0000689"},{"Metabolite":"Isocitric acid","Group":"Organic acids","Retention time (min)":"7.274","PubChem ID":"1198","quantified m/z":"191","KEGG ID":"C00311","HMDB":"HMDB0000193"},{"Metabolite":"Isovaleric acid","Group":"Fatty acids","Retention time (min)":"6.368","PubChem ID":"10430","quantified m/z":"101.1","KEGG ID":"C08262","HMDB":"HMDB0000718"},{"Metabolite":"Isovalerylcarnitine","Group":"Carnitines","Retention time (min)":"5.325","PubChem ID":"6426851","quantified m/z":"246.2","KEGG ID":"","HMDB":"HMDB0000688"},{"Metabolite":"Ketoleucine","Group":"Organic acids","Retention time (min)":"10.014","PubChem ID":"70","quantified m/z":"131.1","KEGG ID":"C00233","HMDB":"HMDB0000695"},{"Metabolite":"Acetylcarnitine","Group":"Carnitines","Retention time (min)":"2.828","PubChem ID":"7045767","quantified m/z":"204.1","KEGG ID":"C02571","HMDB":"HMDB0000201"},{"Metabolite":"Alanine","Group":"Amino acids","Retention time (min)":"1.701","PubChem ID":"5950","quantified m/z":"90","KEGG ID":"C00041","HMDB":"HMDB0000161"},{"Metabolite":"3-Aminoisobutanoic acid","Group":"Amino acids","Retention time (min)":"2.25","PubChem ID":"64956","quantified m/z":"104.1","KEGG ID":"C05145","HMDB":"HMDB0003911"},{"Metabolite":"Arginine","Group":"Amino acids","Retention time (min)":"0.849","PubChem ID":"6322","quantified m/z":"175.1","KEGG ID":"C00062","HMDB":"HMDB0000517"},{"Metabolite":"Asparagine","Group":"Amino acids","Retention time (min)":"3.409","PubChem ID":"6267","quantified m/z":"133.1","KEGG ID":"C00152","HMDB":"HMDB0000168"},{"Metabolite":"Aspartic acid","Group":"Amino acids","Retention time (min)":"4.659","PubChem ID":"5960","quantified m/z":"134","KEGG ID":"C00049","HMDB":"HMDB0000191"},{"Metabolite":"Dodecanoylcarnitine","Group":"Carnitines","Retention time (min)":"10.655","PubChem ID":"168381","quantified m/z":"344.3","KEGG ID":"","HMDB":"HMDB0002250"},{"Metabolite":"Cystine","Group":"Amino acids","Retention time (min)":"2.391","PubChem ID":"67678","quantified m/z":"241","KEGG ID":"C00491","HMDB":"HMDB0000192"},{"Metabolite":"Glutamic acid","Group":"Amino acids","Retention time (min)":"3.284","PubChem ID":"33032","quantified m/z":"148.1","KEGG ID":"C00025","HMDB":"HMDB0000148"},{"Metabolite":"Glutamine","Group":"Amino acids","Retention time (min)":"1.524","PubChem ID":"5961","quantified m/z":"147.1","KEGG ID":"C00064","HMDB":"HMDB0000641"},{"Metabolite":"Histidine","Group":"Amino acids","Retention time (min)":"0.819","PubChem ID":"6274","quantified m/z":"156.1","KEGG ID":"C00135","HMDB":"HMDB0000177"},{"Metabolite":"Homocitrulline","Group":"Amino acids","Retention time (min)":"2.272","PubChem ID":"65072","quantified m/z":"190.1","KEGG ID":"C02427","HMDB":"HMDB0000679"},{"Metabolite":"Homoserine","Group":"Amino acids","Retention time (min)":"1.56","PubChem ID":"12647","quantified m/z":"120.1","KEGG ID":"C00263","HMDB":"HMDB0000719"},{"Metabolite":"Linoelaidic acid","Group":"Fatty acids","Retention time (min)":"12.729","PubChem ID":"5282457","quantified m/z":"279.2","KEGG ID":"","HMDB":"HMDB0006270"},{"Metabolite":"Linoleic acid","Group":"Fatty acids","Retention time (min)":"12.589","PubChem ID":"5280450","quantified m/z":"279.2","KEGG ID":"C01595","HMDB":"HMDB0000673"},{"Metabolite":"Linoleyl carnitine","Group":"Carnitines","Retention time (min)":"11.44","PubChem ID":"6450015","quantified m/z":"424.3","KEGG ID":"","HMDB":"HMDB0006469"},{"Metabolite":"Lactic acid","Group":"Organic acids","Retention time (min)":"3.361","PubChem ID":"107689","quantified m/z":"89","KEGG ID":"C00186","HMDB":"HMDB0000190"},{"Metabolite":"Leucine","Group":"Amino acids","Retention time (min)":"4.328","PubChem ID":"6106","quantified m/z":"130.1","KEGG ID":"C00123","HMDB":"HMDB0000687"},{"Metabolite":"Lysine","Group":"Amino acids","Retention time (min)":"0.823","PubChem ID":"5962","quantified m/z":"147.1","KEGG ID":"C00047","HMDB":"HMDB0000182"},{"Metabolite":"Malic acid","Group":"Organic acids","Retention time (min)":"5.693","PubChem ID":"222656","quantified m/z":"135","KEGG ID":"C00149","HMDB":"HMDB0000156"},{"Metabolite":"Methionine","Group":"Amino acids","Retention time (min)":"3.646","PubChem ID":"6137","quantified m/z":"150.1","KEGG ID":"C00073","HMDB":"HMDB0000696"},{"Metabolite":"Phenylalanine","Group":"Amino acids","Retention time (min)":"4.75","PubChem ID":"6140","quantified m/z":"166.1","KEGG ID":"C00079","HMDB":"HMDB0000159"},{"Metabolite":"Pipecolic acid","Group":"Amino acids","Retention time (min)":"2.74","PubChem ID":"439227","quantified m/z":"128.1","KEGG ID":"C00408","HMDB":"HMDB0000716"},{"Metabolite":"Proline","Group":"Amino acids","Retention time (min)":"2.387","PubChem ID":"145742","quantified m/z":"116.1","KEGG ID":"C00148","HMDB":"HMDB0000162"},{"Metabolite":"Serine","Group":"Amino acids","Retention time (min)":"1.433","PubChem ID":"5951","quantified m/z":"106","KEGG ID":"C00065","HMDB":"HMDB0000187"},{"Metabolite":"threonine","Group":"Amino acids","Retention time (min)":"1.822","PubChem ID":"6288","quantified m/z":"120.1","KEGG ID":"C00188","HMDB":"HMDB0000167"},{"Metabolite":"Tryptophan","Group":"Amino acids","Retention time (min)":"4.93","PubChem ID":"6305","quantified m/z":"205.1","KEGG ID":"C00078","HMDB":"HMDB0000929"},{"Metabolite":"Tyrosine","Group":"Amino acids","Retention time (min)":"3.358","PubChem ID":"6057","quantified m/z":"182.1","KEGG ID":"C00082","HMDB":"HMDB0000158"},{"Metabolite":"Valine","Group":"Amino acids","Retention time (min)":"3.284","PubChem ID":"6287","quantified m/z":"116.1","KEGG ID":"C00183","HMDB":"HMDB0000883"},{"Metabolite":"Maleic acid","Group":"Organic acids","Retention time (min)":"6.513","PubChem ID":"444266","quantified m/z":"115","KEGG ID":"C01384","HMDB":"HMDB0000176"},{"Metabolite":"Malonic acid","Group":"Organic acids","Retention time (min)":"5.942","PubChem ID":"867","quantified m/z":"103","KEGG ID":"C00383","HMDB":"HMDB0000691"},{"Metabolite":"Malonylcarnitine","Group":"Carnitines","Retention time (min)":"4.978","PubChem ID":"91825606","quantified m/z":"248.1","KEGG ID":"","HMDB":"HMDB0002095"},{"Metabolite":"Mandelic acid","Group":"Benzenoids","Retention time (min)":"5.833","PubChem ID":"439616","quantified m/z":"151","KEGG ID":"C01984","HMDB":"HMDB0000703"},{"Metabolite":"Methionine sulfoxide","Group":"Amino acids","Retention time (min)":"1.71","PubChem ID":"158980","quantified m/z":"164","KEGG ID":"C02989","HMDB":"HMDB0002005"},{"Metabolite":"Methylcysteine","Group":"Amino acids","Retention time (min)":"3.169","PubChem ID":"24417","quantified m/z":"136","KEGG ID":"","HMDB":"HMDB0002108"},{"Metabolite":"Methylglutaric acid","Group":"Fatty acids","Retention time (min)":"6.737","PubChem ID":"12284","quantified m/z":"145.1","KEGG ID":"","HMDB":"HMDB0000752"},{"Metabolite":"Methylmalonic acid","Group":"Organic acids","Retention time (min)":"5.997","PubChem ID":"487","quantified m/z":"119","KEGG ID":"C02170","HMDB":"HMDB0000202"},{"Metabolite":"Methylmalonylcarnitine","Group":"Carnitines","Retention time (min)":"5.36","PubChem ID":"","quantified m/z":"262.1","KEGG ID":"","HMDB":"HMDB0013133"},{"Metabolite":"Methylsuccinic acid","Group":"Fatty acids","Retention time (min)":"6.342","PubChem ID":"6950476","quantified m/z":"131","KEGG ID":"","HMDB":"HMDB0001844"},{"Metabolite":"9E-tetradecenoic acid","Group":"Fatty acids","Retention time (min)":"11.867","PubChem ID":"5312402","quantified m/z":"225.2","KEGG ID":"","HMDB":"HMDB0062248"},{"Metabolite":"Myristic acid","Group":"Fatty acids","Retention time (min)":"12.349","PubChem ID":"11005","quantified m/z":"227.2","KEGG ID":"C06424","HMDB":"HMDB0000806"},{"Metabolite":"Myristoleic acid","Group":"Fatty acids","Retention time (min)":"11.867","PubChem ID":"5281119","quantified m/z":"225.2","KEGG ID":"C08322","HMDB":"HMDB0002000"},{"Metabolite":"Tetradecanoylcarnitine","Group":"Carnitines","Retention time (min)":"11.22","PubChem ID":"53477791","quantified m/z":"372.3","KEGG ID":"","HMDB":"HMDB0005066"},{"Metabolite":"N-Acetylglutamine","Group":"Amino acids","Retention time (min)":"2.792","PubChem ID":"182230","quantified m/z":"187.1","KEGG ID":"","HMDB":"HMDB0006029"},{"Metabolite":"N-Acetyaspartic acid","Group":"Amino acids","Retention time (min)":"5.623","PubChem ID":"65065","quantified m/z":"176","KEGG ID":"C01042","HMDB":"HMDB0000812"},{"Metabolite":"N-Acetylneuraminic acid","Group":"Carbohydrates","Retention time (min)":"2.237","PubChem ID":"445063","quantified m/z":"308.1","KEGG ID":"C00270","HMDB":"HMDB0000230"},{"Metabolite":"N-Acetylserine","Group":"Amino acids","Retention time (min)":"2.659","PubChem ID":"65249","quantified m/z":"146.1","KEGG ID":"","HMDB":"HMDB0002931"},{"Metabolite":"N-Methylnicotinamide","Group":"Pyridines","Retention time (min)":"6.774","PubChem ID":"64950","quantified m/z":"135.1","KEGG ID":"","HMDB":"HMDB0003152"},{"Metabolite":"10Z-Nonadecenoic acid","Group":"Fatty acids","Retention time (min)":"13.323","PubChem ID":"5312513","quantified m/z":"295.3","KEGG ID":"C00174","HMDB":"HMDB0013622"},{"Metabolite":"Pelargonic acid","Group":"Fatty acids","Retention time (min)":"10.555","PubChem ID":"8158","quantified m/z":"157.1","KEGG ID":"C01601","HMDB":"HMDB0000847"},{"Metabolite":"Norvaline","Group":"Amino acids","Retention time (min)":"3.58","PubChem ID":"439575","quantified m/z":"118.1","KEGG ID":"C01799","HMDB":"HMDB0013716"},{"Metabolite":"Caprylic acid","Group":"Fatty acids","Retention time (min)":"9.883","PubChem ID":"379","quantified m/z":"143.1","KEGG ID":"C06423","HMDB":"HMDB0000482"},{"Metabolite":"Octanoylcarnitine","Group":"Carnitines","Retention time (min)":"8.01","PubChem ID":"11953814","quantified m/z":"288.2","KEGG ID":"C02838","HMDB":"HMDB0000791"},{"Metabolite":"Oleic acid","Group":"Fatty acids","Retention time (min)":"13.054","PubChem ID":"445639","quantified m/z":"281.3","KEGG ID":"C00712","HMDB":"HMDB0000207"},{"Metabolite":"Oleylcarnitine","Group":"Carnitines","Retention time (min)":"11.76","PubChem ID":"46907933","quantified m/z":"426.4","KEGG ID":"","HMDB":"HMDB0005065"},{"Metabolite":"Ornithine","Group":"Amino acids","Retention time (min)":"0.791","PubChem ID":"6262","quantified m/z":"133.1","KEGG ID":"C00077","HMDB":"HMDB0000214"},{"Metabolite":"Ortho-Hydroxyphenylacetic acid","Group":"Benzenoids","Retention time (min)":"5.819","PubChem ID":"11970","quantified m/z":"153","KEGG ID":"C05852","HMDB":"HMDB0000669"},{"Metabolite":"Oxalic acid","Group":"Organic acids","Retention time (min)":"6.445","PubChem ID":"971","quantified m/z":"89","KEGG ID":"C00209","HMDB":"HMDB0002329"},{"Metabolite":"Oxoadipic acid","Group":"Organic acids","Retention time (min)":"9.768","PubChem ID":"71","quantified m/z":"159","KEGG ID":"C00322","HMDB":"HMDB0000225"},{"Metabolite":"Oxoglutaric acid","Group":"Organic acids","Retention time (min)":"9.469","PubChem ID":"51","quantified m/z":"145","KEGG ID":"C00026","HMDB":"HMDB0000208"},{"Metabolite":"Palmitelaidic acid","Group":"Fatty acids","Retention time (min)":"12.543","PubChem ID":"5282745","quantified m/z":"253.2","KEGG ID":"","HMDB":"HMDB0012328"},{"Metabolite":"Palmitic acid","Group":"Fatty acids","Retention time (min)":"12.98","PubChem ID":"985","quantified m/z":"255.2","KEGG ID":"C00249","HMDB":"HMDB0000220"},{"Metabolite":"Palmitoleic acid","Group":"Fatty acids","Retention time (min)":"12.451","PubChem ID":"445638","quantified m/z":"253.2","KEGG ID":"C08362","HMDB":"HMDB0003229"},{"Metabolite":"Palmitoylcarnitine","Group":"Carnitines","Retention time (min)":"11.66","PubChem ID":"11953816","quantified m/z":"400.3","KEGG ID":"C02990","HMDB":"HMDB0000222"},{"Metabolite":"Pentadecanoic acid","Group":"Fatty acids","Retention time (min)":"12.669","PubChem ID":"13849","quantified m/z":"241.2","KEGG ID":"C16537","HMDB":"HMDB0000826"},{"Metabolite":"Phenylacetic acid","Group":"Benzenoids","Retention time (min)":"6.774","PubChem ID":"999","quantified m/z":"137.1","KEGG ID":"C07086","HMDB":"HMDB0000209"},{"Metabolite":"Phenyllactic acid","Group":"Benzenoids","Retention time (min)":"6.703","PubChem ID":"3848","quantified m/z":"165.1","KEGG ID":"","HMDB":"HMDB0000779"},{"Metabolite":"Phenylpyruvic acid","Group":"Benzenoids","Retention time (min)":"10.03","PubChem ID":"997","quantified m/z":"165","KEGG ID":"C00166","HMDB":"HMDB0000205"},{"Metabolite":"Phosphoribosyl pyrophosphate","Group":"Carbohydrates","Retention time (min)":"7.43","PubChem ID":"7339","quantified m/z":"389","KEGG ID":"C00119","HMDB":"HMDB0000280"},{"Metabolite":"Phthalic acid","Group":"Benzenoids","Retention time (min)":"6.676","PubChem ID":"1017","quantified m/z":"165","KEGG ID":"C01606","HMDB":"HMDB0002107"},{"Metabolite":"p-Hydroxyphenylacetic acid","Group":"Benzenoids","Retention time (min)":"4.947","PubChem ID":"127","quantified m/z":"151","KEGG ID":"C00642","HMDB":"HMDB0000020"},{"Metabolite":"Picolinic acid","Group":"Pyridines","Retention time (min)":"5.753","PubChem ID":"1018","quantified m/z":"124","KEGG ID":"C10164","HMDB":"HMDB0002243"},{"Metabolite":"Pimelic acid","Group":"Fatty acids","Retention time (min)":"6.852","PubChem ID":"385","quantified m/z":"159.1","KEGG ID":"C02656","HMDB":"HMDB0000857"},{"Metabolite":"Propionic acid","Group":"Fatty acids","Retention time (min)":"4.398","PubChem ID":"1032","quantified m/z":"73","KEGG ID":"C00163","HMDB":"HMDB0000237"},{"Metabolite":"Propionylcarnitine","Group":"Carnitines","Retention time (min)":"3.679","PubChem ID":"188824","quantified m/z":"218.1","KEGG ID":"C03017","HMDB":"HMDB0000824"},{"Metabolite":"Protocatechuic acid","Group":"Benzenoids","Retention time (min)":"4.655","PubChem ID":"72","quantified m/z":"155","KEGG ID":"C00230","HMDB":"HMDB0001856"},{"Metabolite":"Pyroglutamic acid","Group":"Amino acids","Retention time (min)":"3.286","PubChem ID":"7405","quantified m/z":"128","KEGG ID":"C01879","HMDB":"HMDB0000267"},{"Metabolite":"Pyruvic acid","Group":"Organic acids","Retention time (min)":"8.368","PubChem ID":"1060","quantified m/z":"87","KEGG ID":"C00022","HMDB":"HMDB0000243"},{"Metabolite":"Rhamnose","Group":"Carbohydrates","Retention time (min)":"4.259","PubChem ID":"25310","quantified m/z":"163.1","KEGG ID":"C00507","HMDB":"HMDB0000849"},{"Metabolite":"Ricinoleic acid","Group":"Fatty acids","Retention time (min)":"11.49","PubChem ID":"5282942","quantified m/z":"297.3","KEGG ID":"C08365","HMDB":"HMDB0034297"},{"Metabolite":"Sarcosine","Group":"Amino acids","Retention time (min)":"1.555","PubChem ID":"1088","quantified m/z":"90","KEGG ID":"C00213","HMDB":"HMDB0000271"},{"Metabolite":"Sebacic acid","Group":"Fatty acids","Retention time (min)":"8.336","PubChem ID":"5192","quantified m/z":"203.1","KEGG ID":"C08277","HMDB":"HMDB0000792"},{"Metabolite":"Selenomethionine","Group":"Amino acids","Retention time (min)":"6.6","PubChem ID":"105024","quantified m/z":"196","KEGG ID":"C05335","HMDB":"HMDB0003966"},{"Metabolite":"Shikimic acid","Group":"Organooxygen compounds","Retention time (min)":"2.774","PubChem ID":"8742","quantified m/z":"173.1","KEGG ID":"C00493","HMDB":"HMDB0003070"},{"Metabolite":"Stearic acid","Group":"Fatty acids","Retention time (min)":"13.599","PubChem ID":"5281","quantified m/z":"283.3","KEGG ID":"C01530","HMDB":"HMDB0000827"},{"Metabolite":"Stearylcarnitine","Group":"Carnitines","Retention time (min)":"11.71","PubChem ID":"52922056","quantified m/z":"428.4","KEGG ID":"","HMDB":"HMDB0000848"},{"Metabolite":"Suberic acid","Group":"Fatty acids","Retention time (min)":"7.272","PubChem ID":"10457","quantified m/z":"173.1","KEGG ID":"C08278","HMDB":"HMDB0000893"},{"Metabolite":"Succinic acid","Group":"Organic acids","Retention time (min)":"5.994","PubChem ID":"1738118","quantified m/z":"117","KEGG ID":"C00042","HMDB":"HMDB0000254"},{"Metabolite":"Tartaric acid","Group":"Carbohydrates","Retention time (min)":"5.188","PubChem ID":"444305","quantified m/z":"149","KEGG ID":"C00898","HMDB":"HMDB0000956"},{"Metabolite":"Taurochenodeoxycholic acid","Group":"Bile acids","Retention time (min)":"8.8","PubChem ID":"387316","quantified m/z":"498.3","KEGG ID":"C05465","HMDB":"HMDB0000951"},{"Metabolite":"Taurocholic acid","Group":"Bile acids","Retention time (min)":"7.61","PubChem ID":"6675","quantified m/z":"514.3","KEGG ID":"C05122","HMDB":"HMDB0000036"},{"Metabolite":"Taurohyodeoxycholic acid","Group":"Bile acids","Retention time (min)":"7.38","PubChem ID":"119046","quantified m/z":"498.7","KEGG ID":"","HMDB":""},{"Metabolite":"Tauroursodeoxycholic acid","Group":"Bile acids","Retention time (min)":"7.28","PubChem ID":"12443252","quantified m/z":"498.3","KEGG ID":"","HMDB":"HMDB0000874"},{"Metabolite":"Threonic acid","Group":"Organic acids","Retention time (min)":"2.049","PubChem ID":"5460407","quantified m/z":"137","KEGG ID":"C01620","HMDB":"HMDB0000943"},{"Metabolite":"trans-Aconitic acid","Group":"Organic acids","Retention time (min)":"6.235","PubChem ID":"444212","quantified m/z":"175","KEGG ID":"C02341","HMDB":"HMDB0000958"},{"Metabolite":"Trehalose","Group":"Carbohydrates","Retention time (min)":"10.626","PubChem ID":"7427","quantified m/z":"341.1","KEGG ID":"C01083","HMDB":"HMDB0000975"},{"Metabolite":"Tridecanoic acid","Group":"Fatty acids","Retention time (min)":"12.034","PubChem ID":"12530","quantified m/z":"213.2","KEGG ID":"C17076","HMDB":"HMDB0000910"},{"Metabolite":"Undecanoic acid","Group":"Fatty acids","Retention time (min)":"11.4","PubChem ID":"8180","quantified m/z":"185.2","KEGG ID":"C17715","HMDB":"HMDB0000947"},{"Metabolite":"Undecylenic acid","Group":"Fatty acids","Retention time (min)":"10.932","PubChem ID":"5634","quantified m/z":"183.1","KEGG ID":"C13910","HMDB":"HMDB0033724"}]
}

}