{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000982","ANALYSIS_ID":"AN001608","VERSION":"1","CREATED_ON":"June 26, 2018, 11:08 am"},

"PROJECT":{"PROJECT_TITLE":"Analysis the concentration of betaine, choline, TMA, TMAO and amino acids in plasma in Megalobrama amblycephala.","PROJECT_SUMMARY":"Analysis the concentration of betaine, choline, TMA, TMAO and amino acids in plasma in Megalobrama amblycephalab by HPLC-MS/MS","INSTITUTE":"Huazhong Agricultural University","LAST_NAME":"Xu","FIRST_NAME":"Jia","ADDRESS":"Lion rock street, hung shan district, Wuhan, HuBei, 430070, China","EMAIL":"xujia2018hzau@163.com","PHONE":"13018097215"},

"STUDY":{"STUDY_TITLE":"Analysis the concentration of betaine, choline, TMA, TMAO and amino acids in plasma in Megalobrama amblycephala.","STUDY_SUMMARY":"Analysis the concentration of betaine, choline, TMA, TMAO and amino acids in plasma in Megalobrama amblycephala by HPLC-MS/MS.","INSTITUTE":"Huazhong Agricultural University","LAST_NAME":"Xu","FIRST_NAME":"Jia","ADDRESS":"Lion rock street, hung shan district, Wuhan, HuBei, 430070, China","EMAIL":"xujia2018hzau@163.com","PHONE":"13018097215"},

"SUBJECT":{"SUBJECT_TYPE":"Fish","SUBJECT_SPECIES":"Megalobrama amblycephala","TAXONOMY_ID":"75352"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"1",
"Factors":{"Diet":"Control group"}
},
{
"Subject ID":"-",
"Sample ID":"2",
"Factors":{"Diet":"Control group"}
},
{
"Subject ID":"-",
"Sample ID":"3",
"Factors":{"Diet":"Control group"}
},
{
"Subject ID":"-",
"Sample ID":"4",
"Factors":{"Diet":"Control group"}
},
{
"Subject ID":"-",
"Sample ID":"5",
"Factors":{"Diet":"Control group"}
},
{
"Subject ID":"-",
"Sample ID":"6",
"Factors":{"Diet":"Control group"}
},
{
"Subject ID":"-",
"Sample ID":"7",
"Factors":{"Diet":"High carbohydrates group"}
},
{
"Subject ID":"-",
"Sample ID":"8",
"Factors":{"Diet":"High carbohydrates group"}
},
{
"Subject ID":"-",
"Sample ID":"9",
"Factors":{"Diet":"High carbohydrates group"}
},
{
"Subject ID":"-",
"Sample ID":"10",
"Factors":{"Diet":"High carbohydrates group"}
},
{
"Subject ID":"-",
"Sample ID":"11",
"Factors":{"Diet":"High carbohydrates group"}
},
{
"Subject ID":"-",
"Sample ID":"12",
"Factors":{"Diet":"High carbohydrates group"}
},
{
"Subject ID":"-",
"Sample ID":"13",
"Factors":{"Diet":"Betaine supplementary for 16 weeks"}
},
{
"Subject ID":"-",
"Sample ID":"14",
"Factors":{"Diet":"Betaine supplementary for 16 weeks"}
},
{
"Subject ID":"-",
"Sample ID":"15",
"Factors":{"Diet":"Betaine supplementary for 16 weeks"}
},
{
"Subject ID":"-",
"Sample ID":"16",
"Factors":{"Diet":"Betaine supplementary for 16 weeks"}
},
{
"Subject ID":"-",
"Sample ID":"17",
"Factors":{"Diet":"Betaine supplementary for 16 weeks"}
},
{
"Subject ID":"-",
"Sample ID":"18",
"Factors":{"Diet":"Betaine supplementary for 16 weeks"}
},
{
"Subject ID":"-",
"Sample ID":"19",
"Factors":{"Diet":"Betaine supplementary for 4 weeks"}
},
{
"Subject ID":"-",
"Sample ID":"20",
"Factors":{"Diet":"Betaine supplementary for 4 weeks"}
},
{
"Subject ID":"-",
"Sample ID":"21",
"Factors":{"Diet":"Betaine supplementary for 4 weeks"}
},
{
"Subject ID":"-",
"Sample ID":"22",
"Factors":{"Diet":"Betaine supplementary for 4 weeks"}
},
{
"Subject ID":"-",
"Sample ID":"23",
"Factors":{"Diet":"Betaine supplementary for 4 weeks"}
},
{
"Subject ID":"-",
"Sample ID":"24",
"Factors":{"Diet":"Betaine supplementary for 4 weeks"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"After 16 weeks of the feeding trial, approximately 24h after the last feeding, fish in all tanks were anaesthetized with MS-222 (Sigma Aldrich, USA) at the concentration of 100 mg L-1. Fifteen specimens from each tank were selected randomly to obtain the blood. Blood was obtained from the caudal vein using sterile syringes with pre-added anticoagulant solution and then centrifuged (3000×g) at 4°C for 10 min to obtain the serum, which was quickly frozen in liquid nitrogen and stored at -80°C for biochemical assays.","SAMPLE_TYPE":"Blood (plasma)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Control diet (CD group) was formulated to contain 27.11±0.38% carbohydrates. The high-carbohydrate diet (HCD group) was formulated to contain over 36.75±0.92% of easily digestible carbohydrates (mostly from flour). The betaine treatment diet (HCB) to contain a high level of carbohydrates (35.64±0.43%) with 1% betaine supplemented for 16 weeks. HC4B group was fed a combination of HCD (first twelve weeks) and HCB diets (last four weeks).","TREATMENT_PROTOCOL_FILENAME":"Experiment_methods.docx"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Fifty μl of protein precipitant (containing NVL) was added to 50 μl of serum solution of each sample, mixed thoroughly, and centrifuged at 13200 rpm for 4 min. The supernatant (10 μl) was mixed with 50 μl methanol borate buffer (0.1 M, pH=8.8) thoroughly. For amino acids, the above solution was mixed with 20 μl of diethyl ethoxymethylene-malonate at 55°C for 15 min."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000","COLUMN_NAME":"Unspecified"},

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

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"ABI Sciex API 3200 QTrap","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"POSITIVE"},

"MS_METABOLITE_DATA":{
"Units":"umol/L or ng/mL",

"Data":[{"Metabolite":"TMA","1":"496","2":"418","3":"206","4":"544","5":"435","6":"554","7":"112","8":"16.8","9":"676","10":"466","11":"47","12":"110","13":"745","14":"693","15":"39","16":"244","17":"262","18":"271","19":"510","20":"624","21":"326","22":"292","23":"195","24":"198"},{"Metabolite":"TMAO","1":"3.96","2":"3.44","3":"4.08","4":"3.71","5":"3.97","6":"3.84","7":"3.21","8":"3.38","9":"3.91","10":"3.14","11":"3.96","12":"2.52","13":"3.32","14":"2.41","15":"2.4","16":"2.18","17":"2.5","18":"2.49","19":"3.26","20":"3.12","21":"2.53","22":"2.59","23":"3.68","24":"2.85"},{"Metabolite":"Betaine","1":"2490","2":"2780","3":"946","4":"2150","5":"2830","6":"1720","7":"1440","8":"1110","9":"2060","10":"2230","11":"536","12":"2470","13":"1420","14":"1400","15":"551","16":"3950","17":"702","18":"821","19":"518","20":"2300","21":"1130","22":"2180","23":"882","24":"1850"},{"Metabolite":"Choline","1":"20400","2":"14000","3":"19400","4":"14600","5":"13400","6":"19100","7":"15800","8":"21300","9":"22800","10":"18400","11":"14000","12":"13000","13":"20500","14":"31500","15":"17600","16":"15700","17":"21000","18":"15900","19":"13700","20":"12700","21":"10700","22":"13400","23":"11500","24":"14300"},{"Metabolite":"Ala","1":"780.00","2":"930.00","3":"703.00","4":"743.00","5":"1050.00","6":"610.00","7":"758.00","8":"596.00","9":"742.00","10":"668.00","11":"569.00","12":"774.00","13":"600.00","14":"623.00","15":"469.00","16":"661.00","17":"538.00","18":"526.00","19":"456.00","20":"604.00","21":"691.00","22":"700.00","23":"600.00","24":"503.00"},{"Metabolite":"Pro","1":"670.00","2":"935.00","3":"654.00","4":"576.00","5":"824.00","6":"557.00","7":"978.00","8":"830.00","9":"634.00","10":"357.00","11":"844.00","12":"631.00","13":"191.00","14":"194.00","15":"544.00","16":"296.00","17":"446.00","18":"492.00","19":"163.00","20":"261.00","21":"602.00","22":"426.00","23":"780.00","24":"719.00"},{"Metabolite":"Val","1":"228.00","2":"383.00","3":"245.00","4":"241.00","5":"209.00","6":"171.00","7":"339.00","8":"229.00","9":"187.00","10":"152.00","11":"266.00","12":"236.00","13":"123.00","14":"130.00","15":"187.00","16":"160.00","17":"157.00","18":"178.00","19":"142.00","20":"157.00","21":"164.00","22":"199.00","23":"190.00","24":"178.00"},{"Metabolite":"Ile","1":"95.20","2":"95.40","3":"90.90","4":"102.00","5":"104.00","6":"89.20","7":"172.00","8":"96.20","9":"73.50","10":"64.10","11":"134.00","12":"109.00","13":"50.40","14":"57.70","15":"76.40","16":"59.70","17":"69.20","18":"80.00","19":"54.80","20":"57.70","21":"61.50","22":"70.60","23":"64.10","24":"76.20"},{"Metabolite":"Gln","1":"374.00","2":"553.00","3":"360.00","4":"388.00","5":"485.00","6":"325.00","7":"443.00","8":"392.00","9":"370.00","10":"332.00","11":"329.00","12":"283.00","13":"319.00","14":"299.00","15":"323.00","16":"291.00","17":"316.00","18":"327.00","19":"251.00","20":"280.00","21":"299.00","22":"308.00","23":"473.00","24":"367.00"},{"Metabolite":"Glu","1":"220.00","2":"264.00","3":"198.00","4":"115.00","5":"281.00","6":"146.00","7":"148.00","8":"62.60","9":"110.00","10":"126.00","11":"32.30","12":"142.00","13":"89.60","14":"116.00","15":"39.90","16":"261.00","17":"36.50","18":"37.00","19":"22.90","20":"97.20","21":"115.00","22":"152.00","23":"102.00","24":"88.60"},{"Metabolite":"Phe","1":"128.00","2":"118.00","3":"94.20","4":"80.40","5":"107.00","6":"83.30","7":"113.00","8":"104.00","9":"76.90","10":"70.90","11":"77.30","12":"61.00","13":"100.00","14":"87.00","15":"88.90","16":"79.10","17":"78.00","18":"89.50","19":"67.80","20":"84.10","21":"70.00","22":"74.10","23":"66.40","24":"51.80"},{"Metabolite":"Arg","1":"401.00","2":"496.00","3":"308.00","4":"306.00","5":"333.00","6":"231.00","7":"376.00","8":"358.00","9":"308.00","10":"273.00","11":"281.00","12":"297.00","13":"286.00","14":"251.00","15":"276.00","16":"292.00","17":"280.00","18":"290.00","19":"175.00","20":"219.00","21":"293.00","22":"322.00","23":"294.00","24":"294.00"},{"Metabolite":"Tyr","1":"167.00","2":"241.00","3":"100.00","4":"95.20","5":"116.00","6":"91.00","7":"128.00","8":"131.00","9":"126.00","10":"120.00","11":"77.30","12":"58.40","13":"151.00","14":"154.00","15":"111.00","16":"121.00","17":"110.00","18":"123.00","19":"96.80","20":"120.00","21":"113.00","22":"134.00","23":"79.80","24":"52.30"},{"Metabolite":"Trp","1":"42.10","2":"36.30","3":"32.90","4":"30.50","5":"31.80","6":"25.10","7":"43.80","8":"50.10","9":"35.60","10":"33.90","11":"40.40","12":"25.20","13":"39.60","14":"33.60","15":"37.10","16":"28.30","17":"34.50","18":"42.10","19":"26.60","20":"31.10","21":"26.60","22":"25.30","23":"30.00","24":"22.20"},{"Metabolite":"Lys","1":"299.00","2":"392.00","3":"298.00","4":"359.00","5":"518.00","6":"294.00","7":"359.00","8":"261.00","9":"250.00","10":"259.00","11":"270.00","12":"422.00","13":"190.00","14":"195.00","15":"242.00","16":"308.00","17":"243.00","18":"249.00","19":"130.00","20":"228.00","21":"218.00","22":"246.00","23":"208.00","24":"261.00"},{"Metabolite":"Leu","1":"166.00","2":"173.00","3":"174.00","4":"194.00","5":"188.00","6":"130.00","7":"237.00","8":"179.00","9":"127.00","10":"102.00","11":"219.00","12":"208.00","13":"80.10","14":"97.60","15":"133.00","16":"113.00","17":"127.00","18":"114.00","19":"93.40","20":"129.00","21":"104.00","22":"131.00","23":"122.00","24":"131.00"}],

"Metabolites":[{"Metabolite":"TMA","MRM (precursor ion/fragment ion)":"60.080/44.000","Internal Standard":"TMAO-d9 (85.050/66.050)","Declustering Potential (v)":"20","Impact Energy (v)":"15"},{"Metabolite":"TMAO","MRM (precursor ion/fragment ion)":"76.080/58.050","Internal Standard":"TMAO-d9 (85.050/66.050)","Declustering Potential (v)":"20","Impact Energy (v)":"15"},{"Metabolite":"Betaine","MRM (precursor ion/fragment ion)":"118.070/59.100","Internal Standard":"TMAO-d9 (85.050/66.050)","Declustering Potential (v)":"20","Impact Energy (v)":"15"},{"Metabolite":"Choline","MRM (precursor ion/fragment ion)":"104.300/60.200","Internal Standard":"TMAO-d9 (85.050/66.050)","Declustering Potential (v)":"20","Impact Energy (v)":"15"},{"Metabolite":"Ala","MRM (precursor ion/fragment ion)":"260.100/171.010","Internal Standard":"NVL(288.150/171.010)","Declustering Potential (v)":"30","Impact Energy (v)":"20"},{"Metabolite":"Pro","MRM (precursor ion/fragment ion)":"286.150/171.010","Internal Standard":"NVL(288.150/171.010)","Declustering Potential (v)":"30","Impact Energy (v)":"20"},{"Metabolite":"Val","MRM (precursor ion/fragment ion)":"288.150/171.010","Internal Standard":"NVL(288.150/171.010)","Declustering Potential (v)":"30","Impact Energy (v)":"20"},{"Metabolite":"Ile","MRM (precursor ion/fragment ion)":"302.150/171.010","Internal Standard":"NVL(288.150/171.010)","Declustering Potential (v)":"30","Impact Energy (v)":"20"},{"Metabolite":"Gln","MRM (precursor ion/fragment ion)":"317.150/171.010","Internal Standard":"NVL(288.150/171.010)","Declustering Potential (v)":"30","Impact Energy (v)":"20"},{"Metabolite":"Glu","MRM (precursor ion/fragment ion)":"318.100/171.010","Internal Standard":"NVL(288.150/171.010)","Declustering Potential (v)":"30","Impact Energy (v)":"20"},{"Metabolite":"Phe","MRM (precursor ion/fragment ion)":"336.200/171.010","Internal Standard":"NVL(288.150/171.010)","Declustering Potential (v)":"30","Impact Energy (v)":"20"},{"Metabolite":"Arg","MRM (precursor ion/fragment ion)":"345.210/171.010","Internal Standard":"NVL(288.150/171.010)","Declustering Potential (v)":"30","Impact Energy (v)":"20"},{"Metabolite":"Tyr","MRM (precursor ion/fragment ion)":"352.200/171.010","Internal Standard":"NVL(288.150/171.010)","Declustering Potential (v)":"30","Impact Energy (v)":"20"},{"Metabolite":"Trp","MRM (precursor ion/fragment ion)":"375.200/171.010","Internal Standard":"NVL(288.150/171.010)","Declustering Potential (v)":"30","Impact Energy (v)":"20"},{"Metabolite":"Lys","MRM (precursor ion/fragment ion)":"487.200/171.010","Internal Standard":"NVL(288.150/171.010)","Declustering Potential (v)":"30","Impact Energy (v)":"20"},{"Metabolite":"Leu","MRM (precursor ion/fragment ion)":"302.150/171.010","Internal Standard":"NVL(288.150/171.010)","Declustering Potential (v)":"30","Impact Energy (v)":"20"}]
}

}