{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000486","ANALYSIS_ID":"AN000768","VERSION":"1","CREATED_ON":"September 23, 2016, 8:25 am"},

"PROJECT":{"PROJECT_TITLE":"Pollen Metabolomics","PROJECT_SUMMARY":"An NMR metabolic analysis of 26 different pollens","INSTITUTE":"NIEHS","LAST_NAME":"Mueller","FIRST_NAME":"Geoffrey","ADDRESS":"111 T.W. Alexander Drive,MDMR01, Research Triangle Park, NC 27709","EMAIL":"mueller3@niehs.nih.gov","PHONE":"9195413872","FUNDING_SOURCE":"NIEHS Intramural program"},

"STUDY":{"STUDY_TITLE":"Pollen metabolomics","STUDY_SUMMARY":"NMR metabolomic analysis of pollens","INSTITUTE":"NIEHS","LAST_NAME":"Mueller","FIRST_NAME":"Geoffrey","ADDRESS":"111 TW Alexander Dr, MDMR01, RTP, NC 27709","EMAIL":"mueller3@niehs.nih.gov","PHONE":"9195413872"},

"SUBJECT":{"SUBJECT_TYPE":"pollen","SUBJECT_SPECIES":"Various"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Cynadon dactylon",
"Sample ID":"CD1",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"CD"}
},
{
"Subject ID":"Cynadon dactylon",
"Sample ID":"CD2",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"CD"}
},
{
"Subject ID":"Cynadon dactylon",
"Sample ID":"CD3",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"CD"}
},
{
"Subject ID":"Cynadon dactylon",
"Sample ID":"CD4",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"CD"}
},
{
"Subject ID":"Cynadon dactylon",
"Sample ID":"CD5",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"CD"}
},
{
"Subject ID":"Festuca pratensis",
"Sample ID":"FP1",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"FP"}
},
{
"Subject ID":"Festuca pratensis",
"Sample ID":"FP2",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"FP"}
},
{
"Subject ID":"Festuca pratensis",
"Sample ID":"FP3",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"FP"}
},
{
"Subject ID":"Festuca pratensis",
"Sample ID":"FP4",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"FP"}
},
{
"Subject ID":"Festuca pratensis",
"Sample ID":"FP5",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"FP"}
},
{
"Subject ID":"Poa pratensis",
"Sample ID":"KP1",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"KP"}
},
{
"Subject ID":"Poa pratensis",
"Sample ID":"KP2",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"KP"}
},
{
"Subject ID":"Poa pratensis",
"Sample ID":"KP3",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"KP"}
},
{
"Subject ID":"Poa pratensis",
"Sample ID":"KP4",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"KP"}
},
{
"Subject ID":"Poa pratensis",
"Sample ID":"KP5",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"KP"}
},
{
"Subject ID":"Lolium perenne",
"Sample ID":"LP1",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"LP"}
},
{
"Subject ID":"Lolium perenne",
"Sample ID":"LP2",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"LP"}
},
{
"Subject ID":"Lolium perenne",
"Sample ID":"LP3",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"LP"}
},
{
"Subject ID":"Lolium perenne",
"Sample ID":"LP4",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"LP"}
},
{
"Subject ID":"Lolium perenne",
"Sample ID":"LP5",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"LP"}
},
{
"Subject ID":"Pheleum pratense",
"Sample ID":"TP1",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"TP"}
},
{
"Subject ID":"Pheleum pratense",
"Sample ID":"TP2",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"TP"}
},
{
"Subject ID":"Pheleum pratense",
"Sample ID":"TP3",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"TP"}
},
{
"Subject ID":"Pheleum pratense",
"Sample ID":"TP4",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"TP"}
},
{
"Subject ID":"Pheleum pratense",
"Sample ID":"TP5",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"TP"}
},
{
"Subject ID":"Triticum aestivum",
"Sample ID":"TA1",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"TA"}
},
{
"Subject ID":"Triticum aestivum",
"Sample ID":"TA2",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"TA"}
},
{
"Subject ID":"Triticum aestivum",
"Sample ID":"TA3",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"TA"}
},
{
"Subject ID":"Triticum aestivum",
"Sample ID":"TA4",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"TA"}
},
{
"Subject ID":"Triticum aestivum",
"Sample ID":"TA5",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"TA"}
},
{
"Subject ID":"Sorghum halepense",
"Sample ID":"SH1",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"SH"}
},
{
"Subject ID":"Sorghum halepense",
"Sample ID":"SH2",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"SH"}
},
{
"Subject ID":"Sorghum halepense",
"Sample ID":"SH3",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"SH"}
},
{
"Subject ID":"Sorghum halepense",
"Sample ID":"SH4",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"SH"}
},
{
"Subject ID":"Sorghum halepense",
"Sample ID":"SH5",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"SH"}
},
{
"Subject ID":"Zea mays",
"Sample ID":"ZM1",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"ZM"}
},
{
"Subject ID":"Zea mays",
"Sample ID":"ZM2",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"ZM"}
},
{
"Subject ID":"Zea mays",
"Sample ID":"ZM3",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"ZM"}
},
{
"Subject ID":"Zea mays",
"Sample ID":"ZM4",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"ZM"}
},
{
"Subject ID":"Zea mays",
"Sample ID":"ZM5",
"Factors":{"Group":"Grass"},
"Additional sample data":{"Code":"ZM"}
},
{
"Subject ID":"Ambrosia artemisifolia",
"Sample ID":"AA1",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"AA"}
},
{
"Subject ID":"Ambrosia artemisifolia",
"Sample ID":"AA2",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"AA"}
},
{
"Subject ID":"Ambrosia artemisifolia",
"Sample ID":"AA3",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"AA"}
},
{
"Subject ID":"Ambrosia artemisifolia",
"Sample ID":"AA4",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"AA"}
},
{
"Subject ID":"Ambrosia artemisifolia",
"Sample ID":"AA5",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"AA"}
},
{
"Subject ID":"Ambrosia psilostachy",
"Sample ID":"AP1",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"AP"}
},
{
"Subject ID":"Ambrosia psilostachy",
"Sample ID":"AP2",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"AP"}
},
{
"Subject ID":"Ambrosia psilostachy",
"Sample ID":"AP3",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"AP"}
},
{
"Subject ID":"Ambrosia psilostachy",
"Sample ID":"AP4",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"AP"}
},
{
"Subject ID":"Ambrosia psilostachy",
"Sample ID":"AP5",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"AP"}
},
{
"Subject ID":"Atermisia vulgaris",
"Sample ID":"MW1",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"MW"}
},
{
"Subject ID":"Atermisia vulgaris",
"Sample ID":"MW2",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"MW"}
},
{
"Subject ID":"Atermisia vulgaris",
"Sample ID":"MW3",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"MW"}
},
{
"Subject ID":"Atermisia vulgaris",
"Sample ID":"MW4",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"MW"}
},
{
"Subject ID":"Atermisia vulgaris",
"Sample ID":"MW5",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"MW"}
},
{
"Subject ID":"Amaranthus retroflexus",
"Sample ID":"PW1",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"PW"}
},
{
"Subject ID":"Amaranthus retroflexus",
"Sample ID":"PW2",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"PW"}
},
{
"Subject ID":"Amaranthus retroflexus",
"Sample ID":"PW3",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"PW"}
},
{
"Subject ID":"Amaranthus retroflexus",
"Sample ID":"PW4",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"PW"}
},
{
"Subject ID":"Amaranthus retroflexus",
"Sample ID":"PW5",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"PW"}
},
{
"Subject ID":"Urtica dioica",
"Sample ID":"UD1",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"UD"}
},
{
"Subject ID":"Urtica dioica",
"Sample ID":"UD2",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"UD"}
},
{
"Subject ID":"Urtica dioica",
"Sample ID":"UD3",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"UD"}
},
{
"Subject ID":"Urtica dioica",
"Sample ID":"UD4",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"UD"}
},
{
"Subject ID":"Urtica dioica",
"Sample ID":"UD5",
"Factors":{"Group":"Weed"},
"Additional sample data":{"Code":"UD"}
},
{
"Subject ID":"Ulmus americana",
"Sample ID":"UA1",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"UA"}
},
{
"Subject ID":"Ulmus americana",
"Sample ID":"UA2",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"UA"}
},
{
"Subject ID":"Ulmus americana",
"Sample ID":"UA3",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"UA"}
},
{
"Subject ID":"Ulmus americana",
"Sample ID":"UA4",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"UA"}
},
{
"Subject ID":"Ulmus americana",
"Sample ID":"UA5",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"UA"}
},
{
"Subject ID":"Betula pendula",
"Sample ID":"BP1",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"BP"}
},
{
"Subject ID":"Betula pendula",
"Sample ID":"BP2",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"BP"}
},
{
"Subject ID":"Betula pendula",
"Sample ID":"BP3",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"BP"}
},
{
"Subject ID":"Betula pendula",
"Sample ID":"BP4",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"BP"}
},
{
"Subject ID":"Betula pendula",
"Sample ID":"BP5",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"BP"}
},
{
"Subject ID":"Corylus americana",
"Sample ID":"CA1",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"CA"}
},
{
"Subject ID":"Corylus americana",
"Sample ID":"CA2",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"CA"}
},
{
"Subject ID":"Corylus americana",
"Sample ID":"CA3",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"CA"}
},
{
"Subject ID":"Corylus americana",
"Sample ID":"CA4",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"CA"}
},
{
"Subject ID":"Corylus americana",
"Sample ID":"CA5",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"CA"}
},
{
"Subject ID":"Carya illinoisensis",
"Sample ID":"CI1",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"CI"}
},
{
"Subject ID":"Carya illinoisensis",
"Sample ID":"CI2",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"CI"}
},
{
"Subject ID":"Carya illinoisensis",
"Sample ID":"CI3",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"CI"}
},
{
"Subject ID":"Carya illinoisensis",
"Sample ID":"CI4",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"CI"}
},
{
"Subject ID":"Carya illinoisensis",
"Sample ID":"CI5",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"CI"}
},
{
"Subject ID":"Juglans regia",
"Sample ID":"JR1",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"JR"}
},
{
"Subject ID":"Juglans regia",
"Sample ID":"JR2",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"JR"}
},
{
"Subject ID":"Juglans regia",
"Sample ID":"JR3",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"JR"}
},
{
"Subject ID":"Juglans regia",
"Sample ID":"JR4",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"JR"}
},
{
"Subject ID":"Juglans regia",
"Sample ID":"JR5",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"JR"}
},
{
"Subject ID":"Quercus alba",
"Sample ID":"QA1",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"QA"}
},
{
"Subject ID":"Quercus alba",
"Sample ID":"QA2",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"QA"}
},
{
"Subject ID":"Quercus alba",
"Sample ID":"QA3",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"QA"}
},
{
"Subject ID":"Quercus alba",
"Sample ID":"QA4",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"QA"}
},
{
"Subject ID":"Quercus alba",
"Sample ID":"QA5",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"QA"}
},
{
"Subject ID":"Quercus rubra",
"Sample ID":"QR1",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"QR"}
},
{
"Subject ID":"Quercus rubra",
"Sample ID":"QR2",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"QR"}
},
{
"Subject ID":"Quercus rubra",
"Sample ID":"QR3",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"QR"}
},
{
"Subject ID":"Quercus rubra",
"Sample ID":"QR4",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"QR"}
},
{
"Subject ID":"Quercus rubra",
"Sample ID":"QR5",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"QR"}
},
{
"Subject ID":"Olea europa",
"Sample ID":"OE1",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"OE"}
},
{
"Subject ID":"Olea europa",
"Sample ID":"OE2",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"OE"}
},
{
"Subject ID":"Olea europa",
"Sample ID":"OE3",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"OE"}
},
{
"Subject ID":"Olea europa",
"Sample ID":"OE4",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"OE"}
},
{
"Subject ID":"Olea europa",
"Sample ID":"OE5",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"OE"}
},
{
"Subject ID":"Fraxinus americana",
"Sample ID":"FA1",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"FA"}
},
{
"Subject ID":"Fraxinus americana",
"Sample ID":"FA2",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"FA"}
},
{
"Subject ID":"Fraxinus americana",
"Sample ID":"FA3",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"FA"}
},
{
"Subject ID":"Fraxinus americana",
"Sample ID":"FA4",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"FA"}
},
{
"Subject ID":"Fraxinus americana",
"Sample ID":"FA5",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"FA"}
},
{
"Subject ID":"Acer rubrum",
"Sample ID":"AR1",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"AR"}
},
{
"Subject ID":"Acer rubrum",
"Sample ID":"AR2",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"AR"}
},
{
"Subject ID":"Acer rubrum",
"Sample ID":"AR3",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"AR"}
},
{
"Subject ID":"Acer rubrum",
"Sample ID":"AR4",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"AR"}
},
{
"Subject ID":"Acer rubrum",
"Sample ID":"AR5",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"AR"}
},
{
"Subject ID":"Pinus taeda",
"Sample ID":"PT1",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"PT"}
},
{
"Subject ID":"Pinus taeda",
"Sample ID":"PT2",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"PT"}
},
{
"Subject ID":"Pinus taeda",
"Sample ID":"PT3",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"PT"}
},
{
"Subject ID":"Pinus taeda",
"Sample ID":"PT4",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"PT"}
},
{
"Subject ID":"Pinus taeda",
"Sample ID":"PT5",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"PT"}
},
{
"Subject ID":"Cupresus arizonica",
"Sample ID":"AZ1",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"AZ"}
},
{
"Subject ID":"Cupresus arizonica",
"Sample ID":"AZ2",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"AZ"}
},
{
"Subject ID":"Cupresus arizonica",
"Sample ID":"AZ3",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"AZ"}
},
{
"Subject ID":"Cupresus arizonica",
"Sample ID":"AZ4",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"AZ"}
},
{
"Subject ID":"Cupresus arizonica",
"Sample ID":"AZ5",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"AZ"}
},
{
"Subject ID":"Juiperus ashei",
"Sample ID":"JA1",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"JA"}
},
{
"Subject ID":"Juiperus ashei",
"Sample ID":"JA2",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"JA"}
},
{
"Subject ID":"Juiperus ashei",
"Sample ID":"JA3",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"JA"}
},
{
"Subject ID":"Juiperus ashei",
"Sample ID":"JA4",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"JA"}
},
{
"Subject ID":"Juiperus ashei",
"Sample ID":"JA5",
"Factors":{"Group":"Tree"},
"Additional sample data":{"Code":"JA"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Acquired pollen from Greer Laboratories"},

"TREATMENT":{"TREATMENT_SUMMARY":"none"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"10 mg/ml pollen extract in 2H-PBS for 30 minutes at 37C"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"-","INSTRUMENT_NAME":"-","COLUMN_NAME":"-"},

"ANALYSIS":{"ANALYSIS_TYPE":"NMR"},

"NM":{"INSTRUMENT_NAME":"Varian 600 Cold Probe","INSTRUMENT_TYPE":"FT-NMR","NMR_EXPERIMENT_TYPE":"1D-1H","SPECTROMETER_FREQUENCY":"600"},

"NMR_METABOLITE_DATA":{
"Units":"mM",

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"Metabolites":[{"Metabolite":"4-Aminobutyrate","RefMet name":"","Formula":"","Mass":""},{"Metabolite":"AMP","RefMet name":"AMP","Formula":"C10H14N5O7P","Mass":"347.063088"},{"Metabolite":"Adenine","RefMet name":"Adenine","Formula":"C5H5N5","Mass":"135.054495"},{"Metabolite":"Adenosine","RefMet name":"Adenosine","Formula":"C10H13N5O4","Mass":"267.096755"},{"Metabolite":"Alanine","RefMet name":"Alanine","Formula":"C3H7NO2","Mass":"89.047679"},{"Metabolite":"Arginine","RefMet name":"Arginine","Formula":"C6H14N4O2","Mass":"174.111676"},{"Metabolite":"Asparagine","RefMet name":"Asparagine","Formula":"C4H8N2O3","Mass":"132.053493"},{"Metabolite":"Betaine","RefMet name":"Betaine","Formula":"C5H11NO2","Mass":"117.078979"},{"Metabolite":"Butyrate","RefMet name":"Butyric acid","Formula":"C4H8O2","Mass":"88.052430"},{"Metabolite":"Chlorogenate","RefMet name":"Chlorogenic acid","Formula":"C16H18O9","Mass":"354.095085"},{"Metabolite":"Choline","RefMet name":"Choline","Formula":"C5H14NO","Mass":"104.107539"},{"Metabolite":"DSS","RefMet name":"","Formula":"","Mass":""},{"Metabolite":"Ethanol","RefMet name":"Ethanol","Formula":"C2H6O","Mass":"46.041865"},{"Metabolite":"Ethanolamine","RefMet name":"Ethanolamine","Formula":"C2H7NO","Mass":"61.052764"},{"Metabolite":"Formate","RefMet name":"Formic acid","Formula":"CH2O2","Mass":"46.005480"},{"Metabolite":"Fructose","RefMet name":"Fructose","Formula":"C6H12O6","Mass":"180.063390"},{"Metabolite":"Fumarate","RefMet name":"Fumaric acid","Formula":"C4H4O4","Mass":"116.010960"},{"Metabolite":"Glucose","RefMet name":"Glucose","Formula":"C6H12O6","Mass":"180.063390"},{"Metabolite":"Glutamate","RefMet name":"Glutamic acid","Formula":"C5H9NO4","Mass":"147.053159"},{"Metabolite":"Glutamine","RefMet name":"Glutamine","Formula":"C5H10N2O3","Mass":"146.069143"},{"Metabolite":"Guanosine","RefMet name":"Guanosine","Formula":"C10H13N5O5","Mass":"283.091670"},{"Metabolite":"Histidine","RefMet name":"Histidine","Formula":"C6H9N3O2","Mass":"155.069477"},{"Metabolite":"Inosine","RefMet name":"Inosine","Formula":"C10H12N4O5","Mass":"268.080771"},{"Metabolite":"Isocaproate","RefMet name":"Isocaproic acid","Formula":"C6H12O2","Mass":"116.083730"},{"Metabolite":"Isoleucine","RefMet name":"Isoleucine","Formula":"C6H13NO2","Mass":"131.094629"},{"Metabolite":"Lactate","RefMet name":"Lactic acid","Formula":"C3H6O3","Mass":"90.031695"},{"Metabolite":"Leucine","RefMet name":"Leucine","Formula":"C6H13NO2","Mass":"131.094629"},{"Metabolite":"Lysine","RefMet name":"Lysine","Formula":"C6H14N2O2","Mass":"146.105528"},{"Metabolite":"Methanol","RefMet name":"Methanol","Formula":"CH4O","Mass":"32.026215"},{"Metabolite":"Methionine","RefMet name":"Methionine","Formula":"C5H11NO2S","Mass":"149.051051"},{"Metabolite":"NAD+","RefMet name":"NAD+","Formula":"C21H28N7O14P2","Mass":"664.116954"},{"Metabolite":"Nicotinamide ribotide","RefMet name":"Nicotinamide ribotide","Formula":"C11H15N2O8P","Mass":"334.056606"},{"Metabolite":"Phenylalanine","RefMet name":"Phenylalanine","Formula":"C9H11NO2","Mass":"165.078979"},{"Metabolite":"Proline","RefMet name":"Proline","Formula":"C5H9NO2","Mass":"115.063329"},{"Metabolite":"Putrescine","RefMet name":"Putrescine","Formula":"C4H12N2","Mass":"88.100048"},{"Metabolite":"Quinic acid","RefMet name":"Quinic acid","Formula":"C7H12O6","Mass":"192.063390"},{"Metabolite":"Flavanol","RefMet name":"","Formula":"","Mass":""},{"Metabolite":"Shikimic acid","RefMet name":"Shikimic acid","Formula":"C7H10O5","Mass":"174.052825"},{"Metabolite":"Succinate","RefMet name":"Succinic acid","Formula":"C4H6O4","Mass":"118.026610"},{"Metabolite":"Sucrose","RefMet name":"Sucrose","Formula":"C12H22O11","Mass":"342.116215"},{"Metabolite":"Threonine","RefMet name":"Threonine","Formula":"C4H9NO3","Mass":"119.058244"},{"Metabolite":"Trigonelline","RefMet name":"Trigonelline","Formula":"C7H7NO2","Mass":"137.047679"},{"Metabolite":"Tryptophan","RefMet name":"Tryptophan","Formula":"C11H12N2O2","Mass":"204.089878"},{"Metabolite":"Tyrosine","RefMet name":"Tyrosine","Formula":"C9H11NO3","Mass":"181.073894"},{"Metabolite":"UMP","RefMet name":"UMP","Formula":"C9H13N2O9P","Mass":"324.035871"},{"Metabolite":"Uracil","RefMet name":"Uracil","Formula":"C4H4N2O2","Mass":"112.027278"},{"Metabolite":"Uridine","RefMet name":"Uridine","Formula":"C9H12N2O6","Mass":"244.069538"},{"Metabolite":"Valerate","RefMet name":"Valeric acid","Formula":"C5H10O2","Mass":"102.068080"},{"Metabolite":"Valine","RefMet name":"Valine","Formula":"C5H11NO2","Mass":"117.078979"},{"Metabolite":"cis-Aconitate","RefMet name":"Cis-Aconitic acid","Formula":"C6H6O6","Mass":"174.016440"},{"Metabolite":"myo-Inositol","RefMet name":"Myo-inositol","Formula":"C6H12O6","Mass":"180.063390"},{"Metabolite":"trans-Aconitate","RefMet name":"Trans-Aconitic acid","Formula":"C6H6O6","Mass":"174.016440"}]
}

}