{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002902","ANALYSIS_ID":"AN004761","VERSION":"1","CREATED_ON":"October 2, 2023, 10:31 am"},

"PROJECT":{"PROJECT_TITLE":"Quantitative analysis of nutrient metabolite compositions of retail cow’s milk and milk alternatives in Thailand using GC-MS","PROJECT_TYPE":"MS quantitative analysis","PROJECT_SUMMARY":"To provide comprehensive metabolite profiles and their concentrations, this study characterized retail cow’s milk and plant-based milk (soymilk and almond milk) for amino acids (AA), fatty acids (FA), and sugars. The cow’s milk samples included conventional milk with different heating processes and lactose-free cow’s milk. Multivariate analysis was applied to identify pattern associated with different types of milk. Principal component analysis (PCA) indicated that the plant-based milk alternatives were markedly different from cow’s milk samples. This was attributed mainly to FA, particularly C18:2n-6 and C18:1 (cis-9) which were highest in soymilk and almond milk, respectively. Unlike the cow’s milk samples, the plant-based milk samples exhibited greater brand-to-brand variation in metabolite concentrations. The mean concentration of total AA in soymilk samples was comparable to that in cow’s milk samples, but the cow’s milk samples were 1.4–6.3 times more enriched in branched-chain AA. There was no significant difference in AA and FA concentrations between conventional and lactose-free cow’s milk. Heating processes of cow’s milk did not result in distinct metabolite patterns. This study further showed that FA profiling could be applied to evaluating soymilk adulteration with 1 %–2 % cow’s milk.","INSTITUTE":"Mahidol University","DEPARTMENT":"Siriraj Metabolomics and Phenomics Center","LABORATORY":"Siriraj Center of Research Excellence in Metabolomics and Systems Biology","LAST_NAME":"Khoomrung","FIRST_NAME":"Sakda","ADDRESS":"2 Wanglang Road, Bangkok, Bangkok, 10700, Thailand","EMAIL":"sakda.kho@mahidol.edu","PHONE":"024195511","PUBLICATIONS":"https://doi.org/10.1016/j.jfca.2020.103785"},

"STUDY":{"STUDY_TITLE":"Quantitative analysis of fatty acid compositions of retail cow’s milk and milk alternatives in Thailand using GC-MS","STUDY_SUMMARY":"All 36 brands of commercial milk samples available in retail stores in Thailand were collected in July 2019. They included 17 brands of whole cow’s milk, 6 brands of lactose-free cow’s milk, 9 brands of soymilk, and 4 brands of almond milk. Of all the cow’s milk samples, there were 6, 2, and 9 ultra-high temperature processing (UHT), sterilized, pasteurized milk samples, respectively. Quantification of fatty acids was performed using GC-MS.","INSTITUTE":"Mahidol University","DEPARTMENT":"Siriraj Metabolomics and Phenomics Center","LABORATORY":"Siriraj Center of Research Excellence in Metabolomics and Systems Biology","LAST_NAME":"Khoomrung","FIRST_NAME":"Sakda","ADDRESS":"2 Wanglang Road, Bangkok, Bangkok, 10700, Thailand","EMAIL":"sakda.kho@mahidol.edu","PHONE":"024195511","NUM_GROUPS":"5","TOTAL_SUBJECTS":"118","PUBLICATIONS":"https://doi.org/10.1016/j.jfca.2020.103785"},

"SUBJECT":{"SUBJECT_TYPE":"Food item"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"10",
"Sample ID":"10.1",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"10.1.mzML"}
},
{
"Subject ID":"10",
"Sample ID":"10.2",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"10.2.mzML"}
},
{
"Subject ID":"10",
"Sample ID":"10.3",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"10.3.mzML"}
},
{
"Subject ID":"11",
"Sample ID":"11.1",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"11.1.mzML"}
},
{
"Subject ID":"11",
"Sample ID":"11.2",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"11.2.mzML"}
},
{
"Subject ID":"11",
"Sample ID":"11.3",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"11.3.mzML"}
},
{
"Subject ID":"12",
"Sample ID":"12.1",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"12.1.mzML"}
},
{
"Subject ID":"12",
"Sample ID":"12.2",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"12.2.mzML"}
},
{
"Subject ID":"12",
"Sample ID":"12.3",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"12.3.mzML"}
},
{
"Subject ID":"13",
"Sample ID":"13.1",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"13.1.mzML"}
},
{
"Subject ID":"13",
"Sample ID":"13.2",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"13.2.mzML"}
},
{
"Subject ID":"13",
"Sample ID":"13.3",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"13.3.mzML"}
},
{
"Subject ID":"14",
"Sample ID":"14.1",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"14.1.mzML"}
},
{
"Subject ID":"14",
"Sample ID":"14.2",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"14.2.mzML"}
},
{
"Subject ID":"14",
"Sample ID":"14.3",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"14.3.mzML"}
},
{
"Subject ID":"15",
"Sample ID":"15.1",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"15.1.mzML"}
},
{
"Subject ID":"15",
"Sample ID":"15.2",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"15.2.mzML"}
},
{
"Subject ID":"15",
"Sample ID":"15.3",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"15.3.mzML"}
},
{
"Subject ID":"16",
"Sample ID":"16.1",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"16.1.mzML"}
},
{
"Subject ID":"16",
"Sample ID":"16.2",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"16.2.mzML"}
},
{
"Subject ID":"16",
"Sample ID":"16.3",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"16.3.mzML"}
},
{
"Subject ID":"17",
"Sample ID":"17.1",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"17.1.mzML"}
},
{
"Subject ID":"17",
"Sample ID":"17.2",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"17.2.mzML"}
},
{
"Subject ID":"17",
"Sample ID":"17.3",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"17.3.mzML"}
},
{
"Subject ID":"21",
"Sample ID":"21.1",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"21.1.mzML"}
},
{
"Subject ID":"21",
"Sample ID":"21.2",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"21.2.mzML"}
},
{
"Subject ID":"21",
"Sample ID":"21.3",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"21.3.mzML"}
},
{
"Subject ID":"22",
"Sample ID":"22.1",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"22.1.mzML"}
},
{
"Subject ID":"22",
"Sample ID":"22.2",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"22.2.mzML"}
},
{
"Subject ID":"22",
"Sample ID":"22.3",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"22.3.mzML"}
},
{
"Subject ID":"24",
"Sample ID":"24.1",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"24.1.mzML"}
},
{
"Subject ID":"24",
"Sample ID":"24.2",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"24.2.mzML"}
},
{
"Subject ID":"24",
"Sample ID":"24.3",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"24.3.mzML"}
},
{
"Subject ID":"25",
"Sample ID":"25.1",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"25.1.mzML"}
},
{
"Subject ID":"25",
"Sample ID":"25.2",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"25.2.mzML"}
},
{
"Subject ID":"25",
"Sample ID":"25.3",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"25.3.mzML"}
},
{
"Subject ID":"26",
"Sample ID":"26.1",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"26.1.mzML"}
},
{
"Subject ID":"26",
"Sample ID":"26.2",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"26.2.mzML"}
},
{
"Subject ID":"26",
"Sample ID":"26.3",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"26.3.mzML"}
},
{
"Subject ID":"27",
"Sample ID":"27.1",
"Factors":{"Milk_group":"Almond","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"27.1.mzML"}
},
{
"Subject ID":"27",
"Sample ID":"27.2",
"Factors":{"Milk_group":"Almond","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"27.2.mzML"}
},
{
"Subject ID":"27",
"Sample ID":"27.3",
"Factors":{"Milk_group":"Almond","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"27.3.mzML"}
},
{
"Subject ID":"28",
"Sample ID":"28.1",
"Factors":{"Milk_group":"Almond","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"28.1.mzML"}
},
{
"Subject ID":"28",
"Sample ID":"28.2",
"Factors":{"Milk_group":"Almond","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"28.2.mzML"}
},
{
"Subject ID":"28",
"Sample ID":"28.3",
"Factors":{"Milk_group":"Almond","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"28.3.mzML"}
},
{
"Subject ID":"29",
"Sample ID":"29.1",
"Factors":{"Milk_group":"Almond","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"29.1.mzML"}
},
{
"Subject ID":"29",
"Sample ID":"29.2",
"Factors":{"Milk_group":"Almond","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"29.2.mzML"}
},
{
"Subject ID":"29",
"Sample ID":"29.3",
"Factors":{"Milk_group":"Almond","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"29.3.mzML"}
},
{
"Subject ID":"3",
"Sample ID":"3.1",
"Factors":{"Milk_group":"Cow","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"3.1.mzML"}
},
{
"Subject ID":"31",
"Sample ID":"31.1",
"Factors":{"Milk_group":"LactoseFree","Milk_process":"LactoseFree"},
"Additional sample data":{"RAW_FILE_NAME":"31.1.mzML"}
},
{
"Subject ID":"31",
"Sample ID":"31.2",
"Factors":{"Milk_group":"LactoseFree","Milk_process":"LactoseFree"},
"Additional sample data":{"RAW_FILE_NAME":"31.2.mzML"}
},
{
"Subject ID":"31",
"Sample ID":"31.3",
"Factors":{"Milk_group":"LactoseFree","Milk_process":"LactoseFree"},
"Additional sample data":{"RAW_FILE_NAME":"31.3.mzML"}
},
{
"Subject ID":"32",
"Sample ID":"32.1",
"Factors":{"Milk_group":"LactoseFree","Milk_process":"LactoseFree"},
"Additional sample data":{"RAW_FILE_NAME":"32.1.mzML"}
},
{
"Subject ID":"32",
"Sample ID":"32.2",
"Factors":{"Milk_group":"LactoseFree","Milk_process":"LactoseFree"},
"Additional sample data":{"RAW_FILE_NAME":"32.2.mzML"}
},
{
"Subject ID":"32",
"Sample ID":"32.3",
"Factors":{"Milk_group":"LactoseFree","Milk_process":"LactoseFree"},
"Additional sample data":{"RAW_FILE_NAME":"32.3.mzML"}
},
{
"Subject ID":"33",
"Sample ID":"33.1",
"Factors":{"Milk_group":"LactoseFree","Milk_process":"LactoseFree"},
"Additional sample data":{"RAW_FILE_NAME":"33.1.mzML"}
},
{
"Subject ID":"33",
"Sample ID":"33.2",
"Factors":{"Milk_group":"LactoseFree","Milk_process":"LactoseFree"},
"Additional sample data":{"RAW_FILE_NAME":"33.2.mzML"}
},
{
"Subject ID":"33",
"Sample ID":"33.3",
"Factors":{"Milk_group":"LactoseFree","Milk_process":"LactoseFree"},
"Additional sample data":{"RAW_FILE_NAME":"33.3.mzML"}
},
{
"Subject ID":"34",
"Sample ID":"34.1",
"Factors":{"Milk_group":"LactoseFree","Milk_process":"LactoseFree"},
"Additional sample data":{"RAW_FILE_NAME":"34.1.mzML"}
},
{
"Subject ID":"34",
"Sample ID":"34.2",
"Factors":{"Milk_group":"LactoseFree","Milk_process":"LactoseFree"},
"Additional sample data":{"RAW_FILE_NAME":"34.2.mzML"}
},
{
"Subject ID":"34",
"Sample ID":"34.3",
"Factors":{"Milk_group":"LactoseFree","Milk_process":"LactoseFree"},
"Additional sample data":{"RAW_FILE_NAME":"34.3.mzML"}
},
{
"Subject ID":"35",
"Sample ID":"35.1",
"Factors":{"Milk_group":"LactoseFree","Milk_process":"LactoseFree"},
"Additional sample data":{"RAW_FILE_NAME":"35.1.mzML"}
},
{
"Subject ID":"35",
"Sample ID":"35.2",
"Factors":{"Milk_group":"LactoseFree","Milk_process":"LactoseFree"},
"Additional sample data":{"RAW_FILE_NAME":"35.2.mzML"}
},
{
"Subject ID":"35",
"Sample ID":"35.3",
"Factors":{"Milk_group":"LactoseFree","Milk_process":"LactoseFree"},
"Additional sample data":{"RAW_FILE_NAME":"35.3.mzML"}
},
{
"Subject ID":"36",
"Sample ID":"36.1",
"Factors":{"Milk_group":"LactoseFree","Milk_process":"LactoseFree"},
"Additional sample data":{"RAW_FILE_NAME":"36.1.mzML"}
},
{
"Subject ID":"36",
"Sample ID":"36.2",
"Factors":{"Milk_group":"LactoseFree","Milk_process":"LactoseFree"},
"Additional sample data":{"RAW_FILE_NAME":"36.2.mzML"}
},
{
"Subject ID":"36",
"Sample ID":"36.3",
"Factors":{"Milk_group":"LactoseFree","Milk_process":"LactoseFree"},
"Additional sample data":{"RAW_FILE_NAME":"36.3.mzML"}
},
{
"Subject ID":"4",
"Sample ID":"4.2",
"Factors":{"Milk_group":"Cow","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"4.2.mzML"}
},
{
"Subject ID":"6",
"Sample ID":"6.2",
"Factors":{"Milk_group":"Cow","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"6.2.mzML"}
},
{
"Subject ID":"6",
"Sample ID":"6.3",
"Factors":{"Milk_group":"Cow","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"6.3.mzML"}
},
{
"Subject ID":"7",
"Sample ID":"7.3",
"Factors":{"Milk_group":"Cow","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"7.3.mzML"}
},
{
"Subject ID":"9",
"Sample ID":"9.1",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"9.1.mzML"}
},
{
"Subject ID":"9",
"Sample ID":"9.2",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"9.2.mzML"}
},
{
"Subject ID":"9",
"Sample ID":"9.3",
"Factors":{"Milk_group":"Cow","Milk_process":"Pasteurized"},
"Additional sample data":{"RAW_FILE_NAME":"9.3.mzML"}
},
{
"Subject ID":"30",
"Sample ID":"Alm 30.1",
"Factors":{"Milk_group":"Almond","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"Alm 30.1.mzML"}
},
{
"Subject ID":"30",
"Sample ID":"Alm 30.2",
"Factors":{"Milk_group":"Almond","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"Alm 30.2.mzML"}
},
{
"Subject ID":"30",
"Sample ID":"Alm 30.3",
"Factors":{"Milk_group":"Almond","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"Alm 30.3.mzML"}
},
{
"Subject ID":"1",
"Sample ID":"Cow 1.1",
"Factors":{"Milk_group":"Cow","Milk_process":"UHT"},
"Additional sample data":{"RAW_FILE_NAME":"Cow 1.1.mzML"}
},
{
"Subject ID":"2",
"Sample ID":"Cow 2.2",
"Factors":{"Milk_group":"Cow","Milk_process":"UHT"},
"Additional sample data":{"RAW_FILE_NAME":"Cow 2.2.mzML"}
},
{
"Subject ID":"1",
"Sample ID":"Cow1.2",
"Factors":{"Milk_group":"Cow","Milk_process":"UHT"},
"Additional sample data":{"RAW_FILE_NAME":"Cow1.2.mzML"}
},
{
"Subject ID":"1",
"Sample ID":"Cow1.3",
"Factors":{"Milk_group":"Cow","Milk_process":"UHT"},
"Additional sample data":{"RAW_FILE_NAME":"Cow1.3.mzML"}
},
{
"Subject ID":"2",
"Sample ID":"Cow2.1",
"Factors":{"Milk_group":"Cow","Milk_process":"UHT"},
"Additional sample data":{"RAW_FILE_NAME":"Cow2.1.mzML"}
},
{
"Subject ID":"2",
"Sample ID":"Cow2.3",
"Factors":{"Milk_group":"Cow","Milk_process":"UHT"},
"Additional sample data":{"RAW_FILE_NAME":"Cow2.3.mzML"}
},
{
"Subject ID":"PS1",
"Sample ID":"PS1",
"Factors":{"Milk_group":"pool","Milk_process":"pool"},
"Additional sample data":{"RAW_FILE_NAME":"PS1.mzML"}
},
{
"Subject ID":"PS10",
"Sample ID":"PS10",
"Factors":{"Milk_group":"pool","Milk_process":"pool"},
"Additional sample data":{"RAW_FILE_NAME":"PS10.mzML"}
},
{
"Subject ID":"PS2",
"Sample ID":"PS2",
"Factors":{"Milk_group":"pool","Milk_process":"pool"},
"Additional sample data":{"RAW_FILE_NAME":"PS2.mzML"}
},
{
"Subject ID":"PS3",
"Sample ID":"PS3",
"Factors":{"Milk_group":"pool","Milk_process":"pool"},
"Additional sample data":{"RAW_FILE_NAME":"PS3.mzML"}
},
{
"Subject ID":"PS4",
"Sample ID":"PS4",
"Factors":{"Milk_group":"pool","Milk_process":"pool"},
"Additional sample data":{"RAW_FILE_NAME":"PS4.mzML"}
},
{
"Subject ID":"PS5",
"Sample ID":"PS5",
"Factors":{"Milk_group":"pool","Milk_process":"pool"},
"Additional sample data":{"RAW_FILE_NAME":"PS5.mzML"}
},
{
"Subject ID":"PS6",
"Sample ID":"PS6",
"Factors":{"Milk_group":"pool","Milk_process":"pool"},
"Additional sample data":{"RAW_FILE_NAME":"PS6.mzML"}
},
{
"Subject ID":"PS7",
"Sample ID":"PS7",
"Factors":{"Milk_group":"pool","Milk_process":"pool"},
"Additional sample data":{"RAW_FILE_NAME":"PS7.mzML"}
},
{
"Subject ID":"PS8",
"Sample ID":"PS8",
"Factors":{"Milk_group":"pool","Milk_process":"pool"},
"Additional sample data":{"RAW_FILE_NAME":"PS8.mzML"}
},
{
"Subject ID":"PS9",
"Sample ID":"PS9",
"Factors":{"Milk_group":"pool","Milk_process":"pool"},
"Additional sample data":{"RAW_FILE_NAME":"PS9.mzML"}
},
{
"Subject ID":"18",
"Sample ID":"Soy 18.1",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"Soy 18.1.mzML"}
},
{
"Subject ID":"19",
"Sample ID":"Soy 19.1 Dil x5 DF",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"Soy 19.1 Dil x5 DF.mzML"}
},
{
"Subject ID":"20",
"Sample ID":"Soy 20.1",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"Soy 20.1.mzML"}
},
{
"Subject ID":"20",
"Sample ID":"Soy 20.2",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"Soy 20.2.mzML"}
},
{
"Subject ID":"20",
"Sample ID":"Soy 20.3",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"Soy 20.3.mzML"}
},
{
"Subject ID":"19",
"Sample ID":"Soy19.2",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"Soy19.2.mzML"}
},
{
"Subject ID":"19",
"Sample ID":"Soy19.3",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"Soy19.3.mzML"}
},
{
"Subject ID":"3",
"Sample ID":"cow 3.2",
"Factors":{"Milk_group":"Cow","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"cow 3.2.mzML"}
},
{
"Subject ID":"3",
"Sample ID":"cow 3.3",
"Factors":{"Milk_group":"Cow","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"cow 3.3.mzML"}
},
{
"Subject ID":"4",
"Sample ID":"cow 4.1",
"Factors":{"Milk_group":"Cow","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"cow 4.1.mzML"}
},
{
"Subject ID":"4",
"Sample ID":"cow 4.3",
"Factors":{"Milk_group":"Cow","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"cow 4.3.mzML"}
},
{
"Subject ID":"5",
"Sample ID":"cow 5.1",
"Factors":{"Milk_group":"Cow","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"cow 5.1.mzML"}
},
{
"Subject ID":"5",
"Sample ID":"cow 5.2",
"Factors":{"Milk_group":"Cow","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"cow 5.2.mzML"}
},
{
"Subject ID":"5",
"Sample ID":"cow 5.3",
"Factors":{"Milk_group":"Cow","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"cow 5.3.mzML"}
},
{
"Subject ID":"6",
"Sample ID":"cow 6.1",
"Factors":{"Milk_group":"Cow","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"cow 6.1.mzML"}
},
{
"Subject ID":"7",
"Sample ID":"cow 7.1",
"Factors":{"Milk_group":"Cow","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"cow 7.1.mzML"}
},
{
"Subject ID":"7",
"Sample ID":"cow 7.2",
"Factors":{"Milk_group":"Cow","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"cow 7.2.mzML"}
},
{
"Subject ID":"8",
"Sample ID":"cow 8.1",
"Factors":{"Milk_group":"Cow","Milk_process":"Sterilized"},
"Additional sample data":{"RAW_FILE_NAME":"cow 8.1.mzML"}
},
{
"Subject ID":"8",
"Sample ID":"cow 8.2",
"Factors":{"Milk_group":"Cow","Milk_process":"Sterilized"},
"Additional sample data":{"RAW_FILE_NAME":"cow 8.2.mzML"}
},
{
"Subject ID":"8",
"Sample ID":"cow 8.3",
"Factors":{"Milk_group":"Cow","Milk_process":"Sterilized"},
"Additional sample data":{"RAW_FILE_NAME":"cow 8.3.mzML"}
},
{
"Subject ID":"18",
"Sample ID":"soy 18.2",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"soy 18.2.mzML"}
},
{
"Subject ID":"18",
"Sample ID":"soy 18.3",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"soy 18.3.mzML"}
},
{
"Subject ID":"23",
"Sample ID":"soy 23.1",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"soy 23.1.mzML"}
},
{
"Subject ID":"23",
"Sample ID":"soy 23.2",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"soy 23.2.mzML"}
},
{
"Subject ID":"23",
"Sample ID":"soy 23.3",
"Factors":{"Milk_group":"Soy","Milk_process":"Unknown"},
"Additional sample data":{"RAW_FILE_NAME":"soy 23.3.mzML"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"All 36 brands of commercial milk samples available in retail stores in Thailand were collected in July 2019. They included 17 brands of whole cow’s milk, 6 brands of lactose-free cow’s milk, 9 brands of soymilk, and 4 brands of almond milk. Of all the cow’s milk samples, there were 6, 2, and 9 ultra-high temperature processing (UHT), sterilized, pasteurized milk samples, respectively. All the selected milk samples were commercially labeled as unsweetened or original flavored. The samples were transferred to sterile polypropylene conical tubes and stored at -20 °C until analysis. We note that only a sample was collected for each product, however, all the samples were analyzed in triplicate.","SAMPLE_TYPE":"food"},

"TREATMENT":{"TREATMENT_SUMMARY":"All 36 brands of commercial milk samples available in retail stores in Thailand were collected in July 2019. They included 17 brands of whole cow’s milk, 6 brands of lactose-free cow’s milk, 9 brands of soymilk, and 4 brands of almond milk. Of all the cow’s milk samples, there were 6, 2, and 9 ultra-high temperature processing (UHT), sterilized, pasteurized milk samples, respectively."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"The samples were transferred to sterile polypropylene conical tubes and stored at -20 °C until analysis. We note that only a sample was collected for each product, however, all the samples were analyzed in triplicate."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"The upper phase containing FAMEs was taken for analysis using a GC coupled to a time of flight mass spectrometry (GC-TOFMS, Pegasus BT, Leco Corp., St.Joseph, MI) on a ZB-FAME (30 m ×0.25 mm ×0.2 μm, Zebron) in EI mode. One microliter of sample was injected with a split ratio of 60 to 1. Helium was used as a carrier gas. The total flow was 1 mL min−1. The GC oven temperature was programmed from 40 °C (2 min hold) to 150 °C at 20 °C min−1 (1 min hold), to 165 °C at 1 °C min−1 (1 min hold), to 180 °C at 2 °C min−1, to 200 °C at 5 °C min−1, and to 260 °C at 40 °C min−1 (8 min hold). The transfer line and ion source temperatures were kept at 240 °C and 220 °C, respectively. The TOFMS scanned from m/z 45–650 with a data acquisition rate of 20 spectra s−1. MS data was acquired and processed using ChromaTOF software (version 5.32, Leco Corp.).","CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Leco Pegasus BT","COLUMN_NAME":"Zebron ZB-FAME (30m × 0.25mm, 0.2um)","SOLVENT_A":"na","SOLVENT_B":"na","FLOW_GRADIENT":"na","FLOW_RATE":"1","COLUMN_TEMPERATURE":"40"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 7890B","INSTRUMENT_TYPE":"GC-TOF","MS_TYPE":"EI","ION_MODE":"POSITIVE","MS_COMMENTS":"The TOFMS scanned from m/z 45–650 with a data acquisition rate of 20 spectra/s. MS data was acquired and processed using ChromaTOF software (version 5.32, Leco Corp.)."},

"MS_METABOLITE_DATA":{
"Units":"uMol",

"Data":[{"Metabolite":"FA 4:0","Cow 1.1":"314.3000655","Cow1.2":"287.8636114","Cow1.3":"325.0704727","Cow2.1":"371.0894854","Cow 2.2":"516.489983","Cow2.3":"579.6437345","3.1":"449.9092838","cow 3.2":"382.3494566","cow 3.3":"485.6474532","cow 4.1":"648.1826896","4.2":"501.3135001","cow 4.3":"515.5108551","cow 5.1":"1456.94236","cow 5.2":"1369.799974","cow 5.3":"1267.970669","cow 6.1":"688.3269347","6.2":"519.9169308","6.3":"501.3135001","cow 7.1":"1297.344507","cow 7.2":"1616.540212","7.3":"548.8012047","cow 8.1":"424.9415216","cow 8.2":"450.3988478","cow 8.3":"463.1275109","9.1":"546.8429489","9.2":"518.9378029","9.3":"565.4463795","10.1":"586.987194","10.2":"786.7292917","10.3":"716.2320807","11.1":"928.7028415","11.2":"679.0252194","11.3":"681.9626032","12.1":"560.5507399","12.2":"787.7084196","12.3":"513.0630353","13.1":"682.9417311","13.2":"764.2093493","13.3":"492.9909127","14.1":"692.2434465","14.2":"529.7082101","14.3":"533.6247218","15.1":"590.9037057","15.2":"713.2946969","15.3":"575.7272228","16.1":"394.0989918","16.2":"556.6342282","16.3":"483.1996334","17.1":"546.8429489","17.2":"569.8524552","17.3":"631.0479508","Soy 18.1":"14.19735498","soy 18.2":"13.21822705","soy 18.3":"13.70779102","Soy 19.1 Dil x5 DF":"7.833023439","Soy19.2":"10.77040723","Soy19.3":"8.812151369","Soy 20.1":"269.2601807","Soy 20.2":"243.3132906","Soy 20.3":"235.9698311","21.1":"188.4821265","21.2":"184.5656148","21.3":"195.336022","22.1":"","22.2":"","22.3":"","soy 23.1":"","soy 23.2":"","soy 23.3":"","24.1":"","24.2":"","24.3":"","25.1":"13.21822705","25.2":"13.21822705","25.3":"13.21822705","26.1":"14.19735498","26.2":"13.70779102","26.3":"14.19735498","27.1":"293.738379","27.2":"287.2108594","27.3":"280.6833399","28.1":"","28.2":"319.8484571","28.3":"","29.1":"293.738379","29.2":"274.1558204","29.3":"287.2108594","Alm 30.1":"","Alm 30.2":"","Alm 30.3":"","31.1":"527.7499542","31.2":"667.2756842","31.3":"696.6495221","32.1":"572.300275","32.2":"518.9378029","32.3":"579.1541705","33.1":"452.8466676","33.2":"462.6379469","33.3":"420.0458819","34.1":"598.2471652","34.2":"596.2889093","34.3":"602.6532409","35.1":"625.1731833","35.2":"454.3153595","35.3":"469.4918424","36.1":"487.6057091","36.2":"443.5449523","36.3":"513.0630353","PS1":"357.8712584","PS10":"399.9737594","PS2":"290.8009952","PS3":"372.5581773","PS4":"439.1388766","PS5":"383.3285846","PS6":"390.1824801","PS7":"368.1521016","PS8":"453.3362316","PS9":"331.9243682"},{"Metabolite":"FA 6:0","Cow 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8.3":"204.3247719","9.1":"227.7529882","9.2":"207.0132558","9.3":"233.5140251","10.1":"308.7915726","10.2":"422.4760322","10.3":"366.4019406","11.1":"485.0792988","11.2":"345.6622081","11.3":"354.879867","12.1":"248.1086516","12.2":"367.1700789","12.3":"221.2238132","13.1":"325.6906139","13.2":"342.2055861","13.3":"202.7884954","14.1":"298.0376372","14.2":"222.7600897","14.3":"226.2167118","15.1":"234.2821633","15.2":"298.8057755","15.3":"232.7458868","16.1":"172.0629658","16.2":"233.5140251","16.3":"205.0929102","17.1":"231.5936795","17.2":"243.4998222","17.3":"276.1456974","Soy 18.1":"","soy 18.2":"","soy 18.3":"","Soy 19.1 Dil x5 DF":"3.840691202","Soy19.2":"4.224760322","Soy19.3":"4.224760322","Soy 20.1":"193.1867674","Soy 20.2":"179.7443482","Soy 20.3":"179.7443482","21.1":"113.6844596","21.2":"112.9163213","21.3":"122.1339802","22.1":"5.376967682","22.2":"8.449520643","22.3":"7.681382403","soy 23.1":"","soy 23.2":"","soy 23.3":"","24.1":"16.13090305","24.2":"16.89904129","24.3":"16.89904129","25.1":"6.145105922","25.2":"6.145105922","25.3":"6.145105922","26.1":"8.065451523","26.2":"5.761036802","26.3":"5.761036802","27.1":"","27.2":"","27.3":"","28.1":"122.9021184","28.2":"92.17658884","28.3":"117.7811968","29.1":"","29.2":"","29.3":"","Alm 30.1":"","Alm 30.2":"","Alm 30.3":"","31.1":"237.3547163","31.2":"301.8783284","31.3":"316.0888859","32.1":"253.1015502","32.2":"230.4414721","32.3":"237.3547163","33.1":"197.4115278","33.2":"205.0929102","33.3":"184.3531777","34.1":"297.269499","34.2":"293.8128769","34.3":"295.7332225","35.1":"281.138596","35.2":"192.4186292","35.3":"200.1000116","36.1":"226.2167118","36.2":"206.2451175","36.3":"233.8980942","PS1":"167.4541364","PS10":"178.2080718","PS2":"127.895017","PS3":"177.0558644","PS4":"207.3973249","PS5":"174.7514497","PS6":"178.2080718","PS7":"160.5408922","PS8":"206.2451175","PS9":"149.0188186"},{"Metabolite":"FA 8:0","Cow 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8.3":"109.6449652","9.1":"112.8047624","9.2":"100.7975328","9.3":"114.0686814","10.1":"182.3203023","10.2":"246.4641869","10.3":"218.6579709","11.1":"280.5899973","11.2":"201.5950657","11.3":"210.7584777","12.1":"130.4996271","12.2":"196.2234103","12.3":"122.600134","13.1":"177.2646267","13.2":"170.6290524","13.3":"103.0093909","14.1":"156.093985","14.2":"121.6521948","14.3":"119.7563164","15.1":"116.9124989","15.2":"148.5104716","15.3":"121.0202353","16.1":"83.73462759","16.2":"121.9681745","16.3":"108.0650665","17.1":"119.7563164","17.2":"123.5480732","17.3":"141.2429379","Soy 18.1":"","soy 18.2":"","soy 18.3":"","Soy 19.1 Dil x5 DF":"0.315979727","Soy19.2":"","Soy19.3":"","Soy 20.1":"313.7678687","Soy 20.2":"291.0173283","Soy 20.3":"285.645673","21.1":"198.1192887","21.2":"188.9558766","21.3":"207.5986805","22.1":"1.263918907","22.2":"1.263918907","22.3":"1.263918907","soy 23.1":"0.315979727","soy 23.2":"0.315979727","soy 23.3":"0.315979727","24.1":"","24.2":"","24.3":"","25.1":"3.159797267","25.2":"2.843817541","25.3":"2.843817541","26.1":"","26.2":"","26.3":"","27.1":"","27.2":"","27.3":"","28.1":"1457.719806","28.2":"1154.379268","28.3":"1470.358995","29.1":"","29.2":"","29.3":"","Alm 30.1":"","Alm 30.2":"","Alm 30.3":"","31.1":"127.6558096","31.2":"159.8857417","31.3":"170.3130727","32.1":"136.1872622","32.2":"128.2877691","32.3":"129.2357082","33.1":"114.7006408","33.2":"119.124357","33.3":"106.8011476","34.1":"170.6290524","34.2":"172.8409105","34.3":"179.1605051","35.1":"144.7187148","35.2":"100.7975328","35.3":"104.2733098","36.1":"131.1315866","36.2":"121.3362151","36.3":"137.4511811","PS1":"103.3253706","PS10":"108.697026","PS2":"76.46709387","PS3":"107.7490868","PS4":"124.8119921","PS5":"107.4331071","PS6":"109.6449652","PS7":"91.0021613","PS8":"114.3846611","PS9":"91.0021613"},{"Metabolite":"FA 10:0","Cow 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8.3":"142.7872063","9.1":"143.0556033","9.2":"127.22018","9.3":"144.1291913","10.1":"259.0031091","10.2":"365.0199258","10.3":"322.6131991","11.1":"416.2837536","11.2":"287.1847946","11.3":"304.0938058","12.1":"170.1637007","12.2":"262.2238732","12.3":"161.8433936","13.1":"256.3191391","13.2":"217.4015735","13.3":"131.2461351","14.1":"198.3453861","14.2":"152.4494984","14.3":"150.0339254","15.1":"144.6659853","15.2":"185.7307269","15.3":"152.4494984","16.1":"110.3111688","16.2":"156.4754535","16.3":"140.9084272","17.1":"153.5230864","17.2":"152.1811014","17.3":"179.5575958","Soy 18.1":"","soy 18.2":"","soy 18.3":"","Soy 19.1 Dil x5 DF":"","Soy19.2":"","Soy19.3":"","Soy 20.1":"225.4534836","Soy 20.2":"220.0855435","Soy 20.3":"213.6440154","21.1":"148.4235434","21.2":"139.5664422","21.3":"157.2806445","22.1":"","22.2":"","22.3":"","soy 23.1":"","soy 23.2":"","soy 23.3":"","24.1":"","24.2":"","24.3":"","25.1":"","25.2":"","25.3":"","26.1":"","26.2":"","26.3":"","27.1":"","27.2":"","27.3":"","28.1":"1216.733086","28.2":"973.3864688","28.3":"1238.204846","29.1":"","29.2":"","29.3":"","Alm 30.1":"","Alm 30.2":"","Alm 30.3":"","31.1":"169.6269067","31.2":"211.7652364","31.3":"225.7218806","32.1":"176.3368318","32.2":"169.6269067","32.3":"168.5533187","33.1":"158.0858355","33.2":"164.7957606","33.3":"146.0079703","34.1":"249.07242","34.2":"255.5139481","34.3":"263.2974612","35.1":"191.903858","35.2":"129.6357531","35.3":"136.8824722","36.1":"178.2156108","36.2":"162.3801876","36.3":"188.683094","PS1":"126.683386","PS10":"139.5664422","PS2":"92.59696647","PS3":"135.8088842","PS4":"154.0598804","PS5":"132.8565171","PS6":"131.5145321","PS7":"108.4323897","PS8":"140.6400302","PS9":"112.9951388"},{"Metabolite":"FA 12:0","Cow 1.1":"200.3785498","Cow1.2":"146.4932821","Cow1.3":"150.225595","Cow2.1":"167.0210031","Cow 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8.3":"207.6099061","9.1":"213.2083755","9.2":"190.3479589","9.3":"213.9081842","10.1":"285.2886687","10.2":"406.5888386","10.3":"360.1681967","11.1":"513.892835","11.2":"349.437797","11.3":"371.1318659","12.1":"293.2198337","12.2":"446.4779329","12.3":"282.0228949","13.1":"421.9846294","13.2":"365.9999356","13.3":"220.4397318","14.1":"339.6404756","14.2":"259.1624783","14.3":"252.1643916","15.1":"251.931122","15.2":"321.2121806","15.3":"264.9942172","16.1":"199.4454716","16.2":"287.6213643","16.3":"257.0630523","17.1":"221.6060796","17.2":"222.3058882","17.3":"262.8947912","Soy 18.1":"3.732312919","soy 18.2":"3.965582476","soy 18.3":"3.732312919","Soy 19.1 Dil x5 DF":"","Soy19.2":"","Soy19.3":"","Soy 20.1":"1293.712966","Soy 20.2":"1298.145087","Soy 20.3":"1248.225402","21.1":"899.0208744","21.2":"853.0667715","21.3":"972.2675154","22.1":"","22.2":"","22.3":"","soy 23.1":"10.03059097","soy 23.2":"10.26386053","soy 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}

}