{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000826","ANALYSIS_ID":"AN001414","VERSION":"1","CREATED_ON":"September 15, 2017, 12:12 pm"},

"PROJECT":{"PROJECT_TITLE":"CHEAR Christiani NMR","PROJECT_SUMMARY":"Human cord blood serum samples (200) were provided by David Christiani. The 200 study samples, total pool samples, and external CHEAR Plasma Reference Material samples were prepared for NMR data collection and signals were library matched to metabolites to determine semi-quantitative concentration data using Chenomx NMR Suite 8.1.","INSTITUTE":"RTI International","DEPARTMENT":"ACP","LAST_NAME":"Fennell","FIRST_NAME":"Timothy","ADDRESS":"3040 East Cornwallis rd, Durham, NORTH CAROLINA, 27709, USA","EMAIL":"fennell@rti.org","PHONE":"9194852781"},

"STUDY":{"STUDY_TITLE":"CHEAR Christiani NMR","STUDY_SUMMARY":"Human cord blood serum samples (200) were provided by David Christiani. The 200 study samples, total pool samples, and external CHEAR Plasma Reference Material samples were prepared for NMR data collection and signals were library matched to metabolites to determine semi-quantitative concentration data using Chenomx NMR Suite 8.1.","INSTITUTE":"RTI International","LAST_NAME":"Fennell","FIRST_NAME":"Timothy","ADDRESS":"3040 E Cornwallis Rd, Durham, NC 27709","EMAIL":"fennell@rti.org","PHONE":"9194852781","TOTAL_SUBJECTS":"200","STUDY_COMMENTS":"Due to sample volume limitations: study samples, study pools, and CHEAR reference samples were prepared using 150 uL of sample and diluted with 100 ul of 0.9% Saline buffer. This is a deviation from the CHEAR Proficiency testing in which 400 ul of CHEAR reference sample was used and diluted with 300 uL of 0.9% Saline buffer. Samples were then transfered into a 3 mm NMR tube, in this study, as opposed to a 5 mm NMR tube for the Proficiency testing. Data for this study were acquired on a 600 MHz Bruker NMR spectrometer. Data for the procficiency testing were acquired on a 700 MHz Bruker NMR spectrometer."},

"SUBJECT":{"SUBJECT_TYPE":"Human Chord Blood Serum","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"C-GTPT7-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_1"}
},
{
"Subject ID":"-",
"Sample ID":"C-HH3D7-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_10"}
},
{
"Subject ID":"-",
"Sample ID":"C-QAQF9-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_100"}
},
{
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"Sample ID":"C-QCPY4-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_101"}
},
{
"Subject ID":"-",
"Sample ID":"C-QDRT0-S-01",
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"Additional sample data":{"NMR DRCC ID":"N_102"}
},
{
"Subject ID":"-",
"Sample ID":"C-QEUC3-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_103"}
},
{
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"Sample ID":"C-QHZ29-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_104"}
},
{
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"Sample ID":"C-QJ3B8-S-01",
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"Additional sample data":{"NMR DRCC ID":"N_105"}
},
{
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"Sample ID":"C-QP2F7-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_106"}
},
{
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"Sample ID":"C-QS0G0-S-01",
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"Additional sample data":{"NMR DRCC ID":"N_107"}
},
{
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"Sample ID":"C-QVLT7-S-01",
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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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"Additional sample data":{"NMR DRCC ID":"N_120"}
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{
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{
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"Additional sample data":{"NMR DRCC ID":"N_126"}
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{
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"Additional sample data":{"NMR DRCC ID":"N_127"}
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{
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"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_128"}
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{
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"Additional sample data":{"NMR DRCC ID":"N_129"}
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{
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{
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"Additional sample data":{"NMR DRCC ID":"N_131"}
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{
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"Additional sample data":{"NMR DRCC ID":"N_132"}
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{
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{
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{
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{
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"Additional sample data":{"NMR DRCC ID":"N_143"}
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{
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"Additional sample data":{"NMR DRCC ID":"N_144"}
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{
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{
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},
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},
{
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"Sample ID":"C-W9RY8-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_159"}
},
{
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"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_16"}
},
{
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"Sample ID":"C-WE3U1-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_160"}
},
{
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{
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{
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},
{
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{
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"Additional sample data":{"NMR DRCC ID":"N_167"}
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{
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"Additional sample data":{"NMR DRCC ID":"N_168"}
},
{
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},
{
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{
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{
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},
{
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},
{
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"Additional sample data":{"NMR DRCC ID":"N_175"}
},
{
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"Additional sample data":{"NMR DRCC ID":"N_176"}
},
{
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"Additional sample data":{"NMR DRCC ID":"N_177"}
},
{
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"Sample ID":"C-XUPK8-S-01",
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"Additional sample data":{"NMR DRCC ID":"N_178"}
},
{
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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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"Additional sample data":{"NMR DRCC ID":"N_185"}
},
{
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"Additional sample data":{"NMR DRCC ID":"N_186"}
},
{
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"Additional sample data":{"NMR DRCC ID":"N_187"}
},
{
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"Additional sample data":{"NMR DRCC ID":"N_188"}
},
{
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"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_189"}
},
{
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},
{
"Subject ID":"-",
"Sample ID":"C-YF9D8-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_190"}
},
{
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},
{
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"Additional sample data":{"NMR DRCC ID":"N_192"}
},
{
"Subject ID":"-",
"Sample ID":"C-YQQM1-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_193"}
},
{
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"Sample ID":"C-YS5B8-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_194"}
},
{
"Subject ID":"-",
"Sample ID":"C-YT6S7-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_195"}
},
{
"Subject ID":"-",
"Sample ID":"C-YT9Y1-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_196"}
},
{
"Subject ID":"-",
"Sample ID":"C-YZM73-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_197"}
},
{
"Subject ID":"-",
"Sample ID":"C-Z5FN9-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_198"}
},
{
"Subject ID":"-",
"Sample ID":"C-Z9M00-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_199"}
},
{
"Subject ID":"-",
"Sample ID":"C-GWR32-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_2"}
},
{
"Subject ID":"-",
"Sample ID":"C-HZ9K6-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_20"}
},
{
"Subject ID":"-",
"Sample ID":"C-Z9QK7-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_200"}
},
{
"Subject ID":"-",
"Sample ID":"C-HZLV3-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_21"}
},
{
"Subject ID":"-",
"Sample ID":"C-J2869-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_22"}
},
{
"Subject ID":"-",
"Sample ID":"C-J2DF2-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_23"}
},
{
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"Additional sample data":{"NMR DRCC ID":"N_24"}
},
{
"Subject ID":"-",
"Sample ID":"C-JDAJ6-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_25"}
},
{
"Subject ID":"-",
"Sample ID":"C-JG1G3-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_26"}
},
{
"Subject ID":"-",
"Sample ID":"C-JGTC7-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_27"}
},
{
"Subject ID":"-",
"Sample ID":"C-JHFP0-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_28"}
},
{
"Subject ID":"-",
"Sample ID":"C-JK4L0-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_29"}
},
{
"Subject ID":"-",
"Sample ID":"C-GXF72-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_3"}
},
{
"Subject ID":"-",
"Sample ID":"C-JPU80-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_30"}
},
{
"Subject ID":"-",
"Sample ID":"C-JVGS1-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_31"}
},
{
"Subject ID":"-",
"Sample ID":"C-JWAY2-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_32"}
},
{
"Subject ID":"-",
"Sample ID":"C-JY095-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_33"}
},
{
"Subject ID":"-",
"Sample ID":"C-K0Q00-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_34"}
},
{
"Subject ID":"-",
"Sample ID":"C-K2CP0-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_35"}
},
{
"Subject ID":"-",
"Sample ID":"C-K39B9-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_36"}
},
{
"Subject ID":"-",
"Sample ID":"C-K6PV5-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_37"}
},
{
"Subject ID":"-",
"Sample ID":"C-KADN0-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_38"}
},
{
"Subject ID":"-",
"Sample ID":"C-KBHQ8-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_39"}
},
{
"Subject ID":"-",
"Sample ID":"C-GY7T1-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_4"}
},
{
"Subject ID":"-",
"Sample ID":"C-KCXU1-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_40"}
},
{
"Subject ID":"-",
"Sample ID":"C-KDD41-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_41"}
},
{
"Subject ID":"-",
"Sample ID":"C-KDJS6-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_42"}
},
{
"Subject ID":"-",
"Sample ID":"C-KH9B3-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_43"}
},
{
"Subject ID":"-",
"Sample ID":"C-KHEW5-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_44"}
},
{
"Subject ID":"-",
"Sample ID":"C-KHU38-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_45"}
},
{
"Subject ID":"-",
"Sample ID":"C-KJXQ4-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_46"}
},
{
"Subject ID":"-",
"Sample ID":"C-KK418-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_47"}
},
{
"Subject ID":"-",
"Sample ID":"C-KLF75-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_48"}
},
{
"Subject ID":"-",
"Sample ID":"C-KNVW4-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_49"}
},
{
"Subject ID":"-",
"Sample ID":"C-H1NH2-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_5"}
},
{
"Subject ID":"-",
"Sample ID":"C-KVU29-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_50"}
},
{
"Subject ID":"-",
"Sample ID":"C-KYRT0-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_51"}
},
{
"Subject ID":"-",
"Sample ID":"C-L09R9-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_52"}
},
{
"Subject ID":"-",
"Sample ID":"C-L18P2-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_53"}
},
{
"Subject ID":"-",
"Sample ID":"C-L3VQ6-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_54"}
},
{
"Subject ID":"-",
"Sample ID":"C-L6W26-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_55"}
},
{
"Subject ID":"-",
"Sample ID":"C-L81U3-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_56"}
},
{
"Subject ID":"-",
"Sample ID":"C-LKYY2-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_57"}
},
{
"Subject ID":"-",
"Sample ID":"C-LREB8-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_58"}
},
{
"Subject ID":"-",
"Sample ID":"C-LS6D5-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_59"}
},
{
"Subject ID":"-",
"Sample ID":"C-H4KC0-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_6"}
},
{
"Subject ID":"-",
"Sample ID":"C-LSVC6-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_60"}
},
{
"Subject ID":"-",
"Sample ID":"C-M4GD6-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_61"}
},
{
"Subject ID":"-",
"Sample ID":"C-MFXB4-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_62"}
},
{
"Subject ID":"-",
"Sample ID":"C-MKL04-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_63"}
},
{
"Subject ID":"-",
"Sample ID":"C-N1099-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_64"}
},
{
"Subject ID":"-",
"Sample ID":"C-N12H4-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_65"}
},
{
"Subject ID":"-",
"Sample ID":"C-N2BA1-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_66"}
},
{
"Subject ID":"-",
"Sample ID":"C-N3BN0-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_67"}
},
{
"Subject ID":"-",
"Sample ID":"C-N6DP7-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_68"}
},
{
"Subject ID":"-",
"Sample ID":"C-N7HL0-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_69"}
},
{
"Subject ID":"-",
"Sample ID":"C-H78F5-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_7"}
},
{
"Subject ID":"-",
"Sample ID":"C-N88M2-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_70"}
},
{
"Subject ID":"-",
"Sample ID":"C-N8KQ4-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_71"}
},
{
"Subject ID":"-",
"Sample ID":"C-NA4B0-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_72"}
},
{
"Subject ID":"-",
"Sample ID":"C-NH5F5-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_73"}
},
{
"Subject ID":"-",
"Sample ID":"C-NJ771-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_74"}
},
{
"Subject ID":"-",
"Sample ID":"C-NL6M0-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_75"}
},
{
"Subject ID":"-",
"Sample ID":"C-NLCG0-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_76"}
},
{
"Subject ID":"-",
"Sample ID":"C-NPVS5-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_77"}
},
{
"Subject ID":"-",
"Sample ID":"C-NRV99-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_78"}
},
{
"Subject ID":"-",
"Sample ID":"C-NT7U3-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_79"}
},
{
"Subject ID":"-",
"Sample ID":"C-H7K53-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_8"}
},
{
"Subject ID":"-",
"Sample ID":"C-NTCH0-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_80"}
},
{
"Subject ID":"-",
"Sample ID":"C-NW5H8-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_81"}
},
{
"Subject ID":"-",
"Sample ID":"C-NXNQ0-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_82"}
},
{
"Subject ID":"-",
"Sample ID":"C-P2D53-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_83"}
},
{
"Subject ID":"-",
"Sample ID":"C-P2XV1-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_84"}
},
{
"Subject ID":"-",
"Sample ID":"C-P4YE3-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_85"}
},
{
"Subject ID":"-",
"Sample ID":"C-P5B90-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_86"}
},
{
"Subject ID":"-",
"Sample ID":"C-P5JW6-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_87"}
},
{
"Subject ID":"-",
"Sample ID":"C-P6D39-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_88"}
},
{
"Subject ID":"-",
"Sample ID":"C-PA2S2-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_89"}
},
{
"Subject ID":"-",
"Sample ID":"C-HC567-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_9"}
},
{
"Subject ID":"-",
"Sample ID":"C-PBJU2-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_90"}
},
{
"Subject ID":"-",
"Sample ID":"C-PE2U9-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_91"}
},
{
"Subject ID":"-",
"Sample ID":"C-PE8R0-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_92"}
},
{
"Subject ID":"-",
"Sample ID":"C-PELM1-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_93"}
},
{
"Subject ID":"-",
"Sample ID":"C-PNLN8-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_94"}
},
{
"Subject ID":"-",
"Sample ID":"C-PU1K7-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_95"}
},
{
"Subject ID":"-",
"Sample ID":"C-PURL2-S-01",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_96"}
},
{
"Subject ID":"-",
"Sample ID":"C-PUU67-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_97"}
},
{
"Subject ID":"-",
"Sample ID":"C-Q0XK8-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_98"}
},
{
"Subject ID":"-",
"Sample ID":"C-Q11N8-S-01",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Study Sample"},
"Additional sample data":{"NMR DRCC ID":"N_99"}
},
{
"Subject ID":"-",
"Sample ID":"PlasmaRef_20160726_1",
"Factors":{"Pool Group":"CHEAR Reference","Sample Type":"Reference Sample"},
"Additional sample data":{"NMR DRCC ID":"NEP_1"}
},
{
"Subject ID":"-",
"Sample ID":"PlasmaRef_20160726_2",
"Factors":{"Pool Group":"CHEAR Reference","Sample Type":"Reference Sample"},
"Additional sample data":{"NMR DRCC ID":"NEP_2"}
},
{
"Subject ID":"-",
"Sample ID":"PlasmaRef_20160726_3",
"Factors":{"Pool Group":"CHEAR Reference","Sample Type":"Reference Sample"},
"Additional sample data":{"NMR DRCC ID":"NEP_3"}
},
{
"Subject ID":"-",
"Sample ID":"PlasmaRef_20160726_4",
"Factors":{"Pool Group":"CHEAR Reference","Sample Type":"Reference Sample"},
"Additional sample data":{"NMR DRCC ID":"NEP_4"}
},
{
"Subject ID":"-",
"Sample ID":"PlasmaRef_20160726_5",
"Factors":{"Pool Group":"CHEAR Reference","Sample Type":"Reference Sample"},
"Additional sample data":{"NMR DRCC ID":"NEP_5"}
},
{
"Subject ID":"-",
"Sample ID":"PlasmaRef_20160726_6",
"Factors":{"Pool Group":"CHEAR Reference","Sample Type":"Reference Sample"},
"Additional sample data":{"NMR DRCC ID":"NEP_6"}
},
{
"Subject ID":"-",
"Sample ID":"PlasmaRef_20160726_7",
"Factors":{"Pool Group":"CHEAR Reference","Sample Type":"Reference Sample"},
"Additional sample data":{"NMR DRCC ID":"NEP_7"}
},
{
"Subject ID":"-",
"Sample ID":"PlasmaRef_20160726_8",
"Factors":{"Pool Group":"CHEAR Reference","Sample Type":"Reference Sample"},
"Additional sample data":{"NMR DRCC ID":"NEP_8"}
},
{
"Subject ID":"-",
"Sample ID":"PlasmaRef_20160726_9",
"Factors":{"Pool Group":"CHEAR Reference","Sample Type":"Reference Sample"},
"Additional sample data":{"NMR DRCC ID":"NEP_9"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000278 0200",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP1_1"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000278 1100",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP1_10"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000278 0300",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP1_2"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000278 0400",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP1_3"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000278 0500",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP1_4"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000278 0600",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP1_5"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000278 0700",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP1_6"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000278 0800",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP1_7"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000278 0900",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP1_8"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000278 1000",
"Factors":{"Pool Group":"Pool 1","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP1_9"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000279 0200",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP2_1"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000279 1100",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP2_10"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000279 1200",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP2_11"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000279 0300",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP2_2"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000279 0400",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP2_3"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000279 0500",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP2_4"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000279 0600",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP2_5"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000279 0700",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP2_6"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000279 0800",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP2_7"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000279 0900",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP2_8"}
},
{
"Subject ID":"-",
"Sample ID":"CHE000279 1000",
"Factors":{"Pool Group":"Pool 2","Sample Type":"Pool"},
"Additional sample data":{"NMR DRCC ID":"NP2_9"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Human Chord Blood serum","SAMPLE_TYPE":"Serum","STORAGE_CONDITIONS":"-80 C"},

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

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"A total of 200 serum samples and 2 CHEAR Serum Reference Material aliquots were thawed on ice for sample preparation, 150 uL of the thawed serum sample were transferred to labeled tubes on ice where they were mixed with 100 uL of NMR 0.9% Saline Solution containing 2.5 mM formate. Samples were randomly assigned to one of two pools, either Pool 1 or Pool 2. An aliquot of 15 uL of each study sample was added to create their corresponding pools. A 150 uL aliquot was taken from each pool to make 10 aliqouts. Another nine pools from the CHEAR reference material samples were aliquoted and processed along with the study samples and study pools. Pool aliquots were processed identically to the study samples, as described above. Sample tubes were vortexed for 4 minutes on a multi-tube vortexer and centrifuged at 16,000 rcf for 4 mininutes. A volume of 250 uL was taken from each sample supernatant and transferred into a pre-labeled 3mm NMR tube for data acquisition on a 600 MHz spectrometer."},

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

"ANALYSIS":{"DATA_FORMAT":"fid, 1r","ANALYSIS_TYPE":"NMR"},

"NM":{"INSTRUMENT_NAME":"Bruker 600 MHz","INSTRUMENT_TYPE":"FT-NMR","NMR_EXPERIMENT_TYPE":"1D-1H","NMR_COMMENTS":"Data for this study were acquired on a 600 MHz Bruker NMR spectrometer. Data for the procficiency testing were acquired on a 700 MHz Bruker NMR spectrometer.","FIELD_FREQUENCY_LOCK":"Deuterium","STANDARD_CONCENTRATION":"1 mM","SPECTROMETER_FREQUENCY":"600 MHz","NMR_PROBE":"5 mm ATMA Cryoprobe","NMR_SOLVENT":"D2O","NMR_TUBE_SIZE":"3 mm","SHIMMING_METHOD":"Topshim","PULSE_SEQUENCE":"cpmgpr1d","WATER_SUPPRESSION":"yes","PULSE_WIDTH":"8.99 usec","POWER_LEVEL":"25.119 W","RECEIVER_GAIN":"4","OFFSET_FREQUENCY":"2817.40 Hz","CHEMICAL_SHIFT_REF_CPD":"Formate","TEMPERATURE":"298.1 K","NUMBER_OF_SCANS":"128","DUMMY_SCANS":"4","ACQUISITION_TIME":"4.5 s","RELAXATION_DELAY":"2 s","SPECTRAL_WIDTH":"12.0 ppm","NUM_DATA_POINTS_ACQUIRED":"65536","REAL_DATA_POINTS":"32768","LINE_BROADENING":"0.5 Hz","ZERO_FILLING":"yes","APODIZATION":"Lorentzian","BASELINE_CORRECTION_METHOD":"Polynomial","CHEMICAL_SHIFT_REF_STD":"Formate"},

"NMR_METABOLITE_DATA":{
"Units":"uM",

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name":"Methionine","pubchem_cid":"6137","inchi_key":"FFEARJCKVFRZRR-BYPYZUCNSA-N"},{"Metabolite":"Methylamine","RefMet name":"","pubchem_cid":"","inchi_key":""},{"Metabolite":"myo-Inositol","RefMet name":"Myo-inositol","pubchem_cid":"892","inchi_key":"CDAISMWEOUEBRE-GPIVLXJGSA-N"},{"Metabolite":"O-Acetylcarnitine","RefMet name":"CAR(2:0)","pubchem_cid":"18230","inchi_key":"RDHQFKQIGNGIED-QMMMGPOBSA-N"},{"Metabolite":"O-Acetylcholine","RefMet name":"Acetylcholine","pubchem_cid":"187","inchi_key":"OIPILFWXSMYKGL-UHFFFAOYSA-N"},{"Metabolite":"O-Phosphocholine","RefMet name":"Choline phosphate","pubchem_cid":"135437","inchi_key":"YHHSONZFOIEMCP-UHFFFAOYSA-N"},{"Metabolite":"Phenylalanine","RefMet name":"Phenylalanine","pubchem_cid":"6140","inchi_key":"COLNVLDHVKWLRT-QMMMGPOBSA-N"},{"Metabolite":"Proline","RefMet name":"Proline","pubchem_cid":"145742","inchi_key":"ONIBWKKTOPOVIA-BYPYZUCNSA-N"},{"Metabolite":"Propionate","RefMet name":"Propionic acid","pubchem_cid":"1032","inchi_key":"XBDQKXXYIPTUBI-UHFFFAOYSA-N"},{"Metabolite":"Propylene glycol","RefMet name":"Propylene glycol","pubchem_cid":"439846","inchi_key":"DNIAPMSPPWPWGF-VKHMYHEASA-N"},{"Metabolite":"Pyruvate","RefMet name":"Pyruvic acid","pubchem_cid":"1060","inchi_key":"LCTONWCANYUPML-UHFFFAOYSA-N"},{"Metabolite":"Serine","RefMet name":"Serine","pubchem_cid":"5951","inchi_key":"MTCFGRXMJLQNBG-REOHCLBHSA-N"},{"Metabolite":"sn-Glycero-3-phosphocholine","RefMet name":"sn-glycero-3-phosphocholine","pubchem_cid":"657272","inchi_key":"SUHOQUVVVLNYQR-MRVPVSSYSA-N"},{"Metabolite":"Succinate","RefMet name":"Succinic acid","pubchem_cid":"1110","inchi_key":"KDYFGRWQOYBRFD-UHFFFAOYSA-N"},{"Metabolite":"Threonine","RefMet name":"Threonine","pubchem_cid":"6288","inchi_key":"AYFVYJQAPQTCCC-GBXIJSLDSA-N"},{"Metabolite":"Thymol","RefMet name":"Thymol","pubchem_cid":"6989","inchi_key":"MGSRCZKZVOBKFT-UHFFFAOYSA-N"},{"Metabolite":"Trimethylamine N-oxide","RefMet name":"Trimethylamine N-oxide","pubchem_cid":"1145","inchi_key":"UYPYRKYUKCHHIB-UHFFFAOYSA-N"},{"Metabolite":"Tyrosine","RefMet name":"Tyrosine","pubchem_cid":"6057","inchi_key":"OUYCCCASQSFEME-QMMMGPOBSA-N"},{"Metabolite":"Valine","RefMet name":"Valine","pubchem_cid":"6287","inchi_key":"KZSNJWFQEVHDMF-BYPYZUCNSA-N"},{"Metabolite":"τ-Methylhistidine","RefMet name":"1-Methylhistidine","pubchem_cid":"92105","inchi_key":"BRMWTNUJHUMWMS-LURJTMIESA-N"}]
}

}