{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002117","ANALYSIS_ID":"AN003465","VERSION":"1","CREATED_ON":"March 25, 2022, 1:20 pm"},

"PROJECT":{"PROJECT_TITLE":"Microbial Toll/interleukin-1 domain metabolite study.","PROJECT_SUMMARY":"The Characterization of NADase activities of 151 bacterial TIRs.","INSTITUTE":"Washington University, St. Louis","LAST_NAME":"Yo","FIRST_NAME":"Sasaki","ADDRESS":"4515 McKinley Ave St.Louis MO","EMAIL":"sasaki@wustl.edu","PHONE":"314-362-4653"},

"STUDY":{"STUDY_TITLE":"Microbial Toll/interleukin-1 domain NADase activities","STUDY_SUMMARY":"Recent work indicates that Toll/Interleukin-1 receptor (TIR) domain-containing proteins degrade NAD. Given increasing attention to how the gut microbiome contributes to NAD metabolism and healthy growth, we examined the representation and expressed NADase activities of its TIR domains. The NADase activities of 151 bacterial TIRs were characterized in vitro. Gut bacterial strains representing the diversity of TIRs observed in the microbiome, and activities observed in vitro, were introduced into germ-free mice fed defined diets. Mass spectrometry of cecal metabolites disclosed that a product of TIR NADase activity, variant cyclic-ADPR-x, distinguished colonized from germ-free animals. Mass spectrometry and microbial RNA-Seq of gnotobiotic mice colonized with one, two and all members of this bacterial consortium, identified Bacteroides xylanisolvens as the principal in vivo source of v-cADPR-x. Guided by bioinformatic analyses of biochemically validated TIR domains, we determined that compared to age-matched healthy Bangladeshi children, those with acute malnutrition had significantly lower fecal levels of TIRs known or predicted to generate v-cADPR-x, and of this metabolite. These results indicate that v-cADPR-x may be an informative biomarker of healthy gut microbiome development.","INSTITUTE":"Washington University, St. Louis","LAST_NAME":"Sasaki","FIRST_NAME":"Yo","ADDRESS":"4515 McKinley Ave St.Louis MO","EMAIL":"sasaki@wustl.edu","PHONE":"314-362-4653"},

"SUBJECT":{"SUBJECT_TYPE":"Bacteria","SUBJECT_SPECIES":"Bacteroides xylanisolvens"},
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"Subject ID":"-",
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"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-48"}
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},
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},
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},
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},
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"Subject ID":"-",
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},
{
"Subject ID":"-",
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},
{
"Subject ID":"-",
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"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-43"}
},
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"Subject ID":"-",
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"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-1"}
},
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"Subject ID":"-",
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"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-10"}
},
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"Subject ID":"-",
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},
{
"Subject ID":"-",
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"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-28"}
},
{
"Subject ID":"-",
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"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-37"}
},
{
"Subject ID":"-",
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"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-46"}
},
{
"Subject ID":"-",
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"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-2"}
},
{
"Subject ID":"-",
"Sample ID":"m09a",
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"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-11"}
},
{
"Subject ID":"-",
"Sample ID":"m04b",
"Factors":{"Cage":"3","Microbiota":"Germfree","Diet":"NA-supplementeded","Age (months)":"NA","WLZ":"NA","Helath phenotype":"NA"},
"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-20"}
},
{
"Subject ID":"-",
"Sample ID":"m08b",
"Factors":{"Cage":"4","Microbiota":"Germfree","Diet":"NA-supplementeded","Age (months)":"NA","WLZ":"NA","Helath phenotype":"NA"},
"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-29"}
},
{
"Subject ID":"-",
"Sample ID":"m01b",
"Factors":{"Cage":"4","Microbiota":"Germfree","Diet":"NA-supplementeded","Age (months)":"NA","WLZ":"NA","Helath phenotype":"NA"},
"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-38"}
},
{
"Subject ID":"-",
"Sample ID":"m02b",
"Factors":{"Cage":"4","Microbiota":"Germfree","Diet":"NA-supplementeded","Age (months)":"NA","WLZ":"NA","Helath phenotype":"NA"},
"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-47"}
},
{
"Subject ID":"-",
"Sample ID":"m06c",
"Factors":{"Cage":"1","Microbiota":"26-member","Diet":"NAD-precursor deficient","Age (months)":"NA","WLZ":"NA","Helath phenotype":"NA"},
"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-8"}
},
{
"Subject ID":"-",
"Sample ID":"m02d",
"Factors":{"Cage":"1","Microbiota":"26-member","Diet":"NAD-precursor deficient","Age (months)":"NA","WLZ":"NA","Helath phenotype":"NA"},
"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-9"}
},
{
"Subject ID":"-",
"Sample ID":"m18b",
"Factors":{"Cage":"1","Microbiota":"26-member","Diet":"NAD-precursor deficient","Age (months)":"NA","WLZ":"NA","Helath phenotype":"NA"},
"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-18"}
},
{
"Subject ID":"-",
"Sample ID":"m01d",
"Factors":{"Cage":"2","Microbiota":"26-member","Diet":"NAD-precursor deficient","Age (months)":"NA","WLZ":"NA","Helath phenotype":"NA"},
"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-27"}
},
{
"Subject ID":"-",
"Sample ID":"m07c",
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"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-36"}
},
{
"Subject ID":"-",
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"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-45"}
},
{
"Subject ID":"-",
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"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-7"}
},
{
"Subject ID":"-",
"Sample ID":"m14b",
"Factors":{"Cage":"1","Microbiota":"BthetaBxylan","Diet":"NAD-precursor deficient","Age (months)":"NA","WLZ":"NA","Helath phenotype":"NA"},
"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-16"}
},
{
"Subject ID":"-",
"Sample ID":"m17b",
"Factors":{"Cage":"1","Microbiota":"BthetaBxylan","Diet":"NAD-precursor deficient","Age (months)":"NA","WLZ":"NA","Helath phenotype":"NA"},
"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-17"}
},
{
"Subject ID":"-",
"Sample ID":"m16b",
"Factors":{"Cage":"2","Microbiota":"BthetaBxylan","Diet":"NAD-precursor deficient","Age (months)":"NA","WLZ":"NA","Helath phenotype":"NA"},
"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-26"}
},
{
"Subject ID":"-",
"Sample ID":"m15b",
"Factors":{"Cage":"2","Microbiota":"BthetaBxylan","Diet":"NAD-precursor deficient","Age (months)":"NA","WLZ":"NA","Helath phenotype":"NA"},
"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-35"}
},
{
"Subject ID":"-",
"Sample ID":"m03d",
"Factors":{"Cage":"2","Microbiota":"BthetaBxylan","Diet":"NAD-precursor deficient","Age (months)":"NA","WLZ":"NA","Helath phenotype":"NA"},
"Additional sample data":{"data table name":"S5B","RAW_FILE_NAME":"Jimmy contents 11 16 2018-44"}
},
{
"Subject ID":"-",
"Sample ID":"BG1C0462",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"8","WLZ":"-0.43","Helath phenotype":"Healthy"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2021 08 03 Jimmy fecal sample-4"}
},
{
"Subject ID":"-",
"Sample ID":"BG1C0466-12",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"12","WLZ":"0.2","Helath phenotype":"Healthy"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2022 08 03 Jimmy fecal sample-8"}
},
{
"Subject ID":"-",
"Sample ID":"BG1C0466-13",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"13","WLZ":"-0.3","Helath phenotype":"Healthy"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2023 08 03 Jimmy fecal sample-12"}
},
{
"Subject ID":"-",
"Sample ID":"BG1C0473-11",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"11","WLZ":"-0.82","Helath phenotype":"Healthy"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2024 08 03 Jimmy fecal sample-17"}
},
{
"Subject ID":"-",
"Sample ID":"BG1C0473-13",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"13","WLZ":"-0.93","Helath phenotype":"Healthy"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2025 08 03 Jimmy fecal sample-21"}
},
{
"Subject ID":"-",
"Sample ID":"Bgsng8064",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"15","WLZ":"0.6","Helath phenotype":"Healthy"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2026 08 03 Jimmy fecal sample-25"}
},
{
"Subject ID":"-",
"Sample ID":"Bgsng8119",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"25","WLZ":"1.7","Helath phenotype":"Healthy"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2027 08 03 Jimmy fecal sample-30"}
},
{
"Subject ID":"-",
"Sample ID":"Bgsng8153",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"6","WLZ":"1.58","Helath phenotype":"Healthy"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2028 08 03 Jimmy fecal sample-33"}
},
{
"Subject ID":"-",
"Sample ID":"Bgsng8169-28",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"28","WLZ":"-","Helath phenotype":"Healthy"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2025 08 03 Jimmy fecal sample-5"}
},
{
"Subject ID":"-",
"Sample ID":"Bgsng8169-30",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"30","WLZ":"1.77","Helath phenotype":"Healthy"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2026 08 03 Jimmy fecal sample-9"}
},
{
"Subject ID":"-",
"Sample ID":"PS.004",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"21.9","WLZ":"-2.03","Helath phenotype":"Malnourished"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2027 08 03 Jimmy fecal sample-13"}
},
{
"Subject ID":"-",
"Sample ID":"PS.011",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"9.9","WLZ":"-5.54","Helath phenotype":"Malnourished"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2028 08 03 Jimmy fecal sample-18"}
},
{
"Subject ID":"-",
"Sample ID":"PS.057-10.4",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"10.4","WLZ":"-3.8","Helath phenotype":"Malnourished"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2029 08 03 Jimmy fecal sample-26"}
},
{
"Subject ID":"-",
"Sample ID":"PS.057-10.6",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"10.6","WLZ":"-2.81","Helath phenotype":"Malnourished"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2030 08 03 Jimmy fecal sample-31"}
},
{
"Subject ID":"-",
"Sample ID":"PS.079",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"10.3","WLZ":"-2.7","Helath phenotype":"Malnourished"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2028 08 03 Jimmy fecal sample-10"}
},
{
"Subject ID":"-",
"Sample ID":"PS.120-13.3",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"13.3","WLZ":"-3.16","Helath phenotype":"Malnourished"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2029 08 03 Jimmy fecal sample-19"}
},
{
"Subject ID":"-",
"Sample ID":"PS.120-13.9",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"13.9","WLZ":"-2.17","Helath phenotype":"Malnourished"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2030 08 03 Jimmy fecal sample-23"}
},
{
"Subject ID":"-",
"Sample ID":"PS.132",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"14.1","WLZ":"-3.01","Helath phenotype":"Malnourished"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2031 08 03 Jimmy fecal sample-27"}
},
{
"Subject ID":"-",
"Sample ID":"PS.158",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"12.5","WLZ":"-3.48","Helath phenotype":"Malnourished"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2029 08 03 Jimmy fecal sample-15"}
},
{
"Subject ID":"-",
"Sample ID":"PS.170",
"Factors":{"Cage":"NA","Microbiota":"NA","Diet":"NA","Age (months)":"16.2","WLZ":"-3.5","Helath phenotype":"Malnourished"},
"Additional sample data":{"data table name":"S5C","RAW_FILE_NAME":"2030 08 03 Jimmy fecal sample-28"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Cecal contents were collected on 10 uL plastic inoculation loops at the time of sacrifice, snap frozen in liquid nitrogen, and stored at -80 °C. Aliquots were kept frozen, removed from the loops and weighed.","SAMPLE_TYPE":"Cecum","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Germ-free C57BL/6J mice were reared in plastic flexible film gnotobiotic isolators (Class Biologically Clean) at 23 °C under a strict 12-hour light cycle (lights on at 0600h, off at 1800h). Animals were weaned onto an autoclaved, low-fat, plant polysaccharide-rich chow (catalog number 2018S, Envigo) that was administered ad libitum. Five days prior to colonization, 8-week-old male mice were switched to the NAD precursor-sufficient diet; 2 days later, they were either placed on a NAD precursor-deficient diet, or a NA-supplemented diet or were continued on the NAD precursor-sufficient diet."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"10 uL of ice-cold methanol was added per mg of sample, which was then thawed on ice. The mixture was subsequently shaken for two minutes in a BioSpec bead beater. Samples were then centrifuged for 10 minutes at 3,000 x g at 4 °C; a 150 uL aliquot of the supernatant was transferred to a new tube containing 150 uL ice-cold chloroform, then mixed by pulse vortexing and centrifuged for 10 minutes at 3,000 x g at 4 °C. 100 uL of the methanol fraction was transferred to a new tube containing 100 uL of ice-cold chloroform, mixed by pulse-vortexing, and centrifuged for 10 minutes at 3,000 x g at 4 °C. 70 uL was transferred to a new tube and lyophilized in a Labconco SpeedVac."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 1290 Infinity","COLUMN_NAME":"Waters Atlantis C18"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6490 QQQ","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Metabolites were quantified by MassHunter quantitative analysis tool (Agilent)"},

"MS_METABOLITE_DATA":{
"Units":"pmol/mg",

"Data":[{"Metabolite":"Aspartate","m09a-S5A":"6.60","m01b-S5A":"10.57","m07b-S5A":"9.81","m08a-S5A":"16.86","m11b-S5A":"14.26","m14a-S5A":"20.87","m17a-S5A":"31.88","m13b-S5A":"57.83","m16a-S5A":"86.61","m05b-S5A":"79.09","m02a-S5A":"90.09","m14b-S5A":"109.56","m02b-S5A":"109.24","m08b-S5A":"79.32","m03b-S5A":"115.03","m05a-S5A":"111.70","m15a-S5A":"52.56","m11a-S5A":"65.36","m13a-S5A":"187.89","m07a-S5A":"84.74","m06b-S5A":"56.84","m10b-S5A":"56.50","m18a-S5A":"77.67","m01a-S5A":"71.29","m12b-S5A":"204.55","m06a-S5A":"101.74","m04b-S5A":"113.75","m10a-S5A":"94.89","m09b-S5A":"131.82","m04a-S5A":"117.93","m03a-S5A":"119.93","m12a-S5A":"94.32","m05b":"3.77","m14a":"10.39","m13a":"8.54","m15a":"7.49","m12a":"6.07","m04c":"5.94","m10a":"11.00","m02c":"18.07","m03b":"11.30","m17a":"14.64","m18a":"10.15","m16a":"9.81","m03c":"6.65","m01c":"8.25","m07a":"8.74","m05c":"11.20","m04d":"35.33","m08c":"10.12","m13b":"20.07","m09b":"6.19","m10b":"6.11","m06b":"5.68","m12b":"11.57","m07b":"6.25","m01a":"301.67","m02a":"213.58","m08a":"171.69","m03a":"215.20","m05a":"204.84","m04a":"122.87","m06a":"224.29","m09a":"162.77","m04b":"250.65","m08b":"256.19","m01b":"173.37","m02b":"229.21","m06c":"138.34","m02d":"143.19","m18b":"164.20","m01d":"148.14","m07c":"141.35","m11b":"121.19","m11a":"3.83","m14b":"10.65","m17b":"5.23","m16b":"6.43","m15b":"8.13","m03d":"14.49","BG1C0462":"683.45","BG1C0466-12":"568.15","BG1C0466-13":"206.87","BG1C0473-11":"204.42","BG1C0473-13":"629.37","Bgsng8064":"1879.09","Bgsng8119":"79.05","Bgsng8153":"134.22","Bgsng8169-28":"138.89","Bgsng8169-30":"346.13","PS.004":"59.15","PS.011":"23.87","PS.057-10.4":"181.00","PS.057-10.6":"192.52","PS.079":"6.29","PS.120-13.3":"15.14","PS.120-13.9":"70.17","PS.132":"439.48","PS.158":"92.88","PS.170":"111.64"},{"Metabolite":"NAD","m09a-S5A":"0.027","m01b-S5A":"0.012","m07b-S5A":"0.022","m08a-S5A":"0.023","m11b-S5A":"0.009","m14a-S5A":"0.027","m17a-S5A":"0.021","m13b-S5A":"0.008","m16a-S5A":"0.019","m05b-S5A":"0.018","m02a-S5A":"0.015","m14b-S5A":"0.028","m02b-S5A":"0.015","m08b-S5A":"0.011","m03b-S5A":"0.042","m05a-S5A":"0.024","m15a-S5A":"0.037","m11a-S5A":"0.015","m13a-S5A":"0.067","m07a-S5A":"0.098","m06b-S5A":"0.023","m10b-S5A":"0.030","m18a-S5A":"0.041","m01a-S5A":"0.021","m12b-S5A":"0.018","m06a-S5A":"0.020","m04b-S5A":"0.015","m10a-S5A":"0.017","m09b-S5A":"0.020","m04a-S5A":"0.024","m03a-S5A":"0.017","m12a-S5A":"0.027","m05b":"2.927","m14a":"0.525","m13a":"1.507","m15a":"0.320","m12a":"0.315","m04c":"0.983","m10a":"1.049","m02c":"1.365","m03b":"2.451","m17a":"1.082","m18a":"2.109","m16a":"1.630","m03c":"0.751","m01c":"0.199","m07a":"0.110","m05c":"0.416","m04d":"0.546","m08c":"0.239","m13b":"1.264","m09b":"0.580","m10b":"1.341","m06b":"1.049","m12b":"1.306","m07b":"0.457","m01a":"0.416","m02a":"0.228","m08a":"0.250","m03a":"0.197","m05a":"0.216","m04a":"0.161","m06a":"0.373","m09a":"0.200","m04b":"0.173","m08b":"0.311","m01b":"0.223","m02b":"0.265","m06c":"1.182","m02d":"0.749","m18b":"0.970","m01d":"0.631","m07c":"0.513","m11b":"0.674","m11a":"0.612","m14b":"0.535","m17b":"1.496","m16b":"0.539","m15b":"0.783","m03d":"0.499","BG1C0462":"0.011","BG1C0466-12":"0.039","BG1C0466-13":"0.138","BG1C0473-11":"0.062","BG1C0473-13":"0.855","Bgsng8064":"0.078","Bgsng8119":"0.085","Bgsng8153":"0.050","Bgsng8169-28":"0.089","Bgsng8169-30":"0.036","PS.004":"0.154","PS.011":"0.230","PS.057-10.4":"0.513","PS.057-10.6":"1.075","PS.079":"0.390","PS.120-13.3":"0.250","PS.120-13.9":"0.329","PS.132":"0.459","PS.158":"0.582","PS.170":"0.712"},{"Metabolite":"Nam","m09a-S5A":"NA","m01b-S5A":"NA","m07b-S5A":"NA","m08a-S5A":"NA","m11b-S5A":"NA","m14a-S5A":"NA","m17a-S5A":"NA","m13b-S5A":"NA","m16a-S5A":"NA","m05b-S5A":"NA","m02a-S5A":"NA","m14b-S5A":"NA","m02b-S5A":"NA","m08b-S5A":"NA","m03b-S5A":"NA","m05a-S5A":"NA","m15a-S5A":"NA","m11a-S5A":"NA","m13a-S5A":"NA","m07a-S5A":"NA","m06b-S5A":"NA","m10b-S5A":"NA","m18a-S5A":"NA","m01a-S5A":"NA","m12b-S5A":"NA","m06a-S5A":"NA","m04b-S5A":"NA","m10a-S5A":"NA","m09b-S5A":"NA","m04a-S5A":"NA","m03a-S5A":"NA","m12a-S5A":"NA","m05b":"0.067","m14a":"0.103","m13a":"0.187","m15a":"0.111","m12a":"0.116","m04c":"0.067","m10a":"4.986","m02c":"4.234","m03b":"5.367","m17a":"3.043","m18a":"3.602","m16a":"2.786","m03c":"0.075","m01c":"0.077","m07a":"0.078","m05c":"0.181","m04d":"0.582","m08c":"0.096","m13b":"2.701","m09b":"2.216","m10b":"1.657","m06b":"2.211","m12b":"1.486","m07b":"1.552","m01a":"0.019","m02a":"0.005","m08a":"0.066","m03a":"0.013","m05a":"0.009","m04a":"0.011","m06a":"1.254","m09a":"1.137","m04b":"1.106","m08b":"2.639","m01b":"1.638","m02b":"1.457","m06c":"0.195","m02d":"0.141","m18b":"0.144","m01d":"0.182","m07c":"0.111","m11b":"0.073","m11a":"0.103","m14b":"0.073","m17b":"0.090","m16b":"0.065","m15b":"0.159","m03d":"0.109","BG1C0462":"0.000","BG1C0466-12":"0.000","BG1C0466-13":"0.002","BG1C0473-11":"0.002","BG1C0473-13":"0.000","Bgsng8064":"0.000","Bgsng8119":"0.011","Bgsng8153":"0.150","Bgsng8169-28":"0.000","Bgsng8169-30":"0.000","PS.004":"0.000","PS.011":"0.000","PS.057-10.4":"0.000","PS.057-10.6":"0.000","PS.079":"0.000","PS.120-13.3":"0.000","PS.120-13.9":"0.000","PS.132":"0.008","PS.158":"0.000","PS.170":"0.000"},{"Metabolite":"Nicotinic 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"Metabolites":[{"Metabolite":"Aspartate","PubChem":" 5960  ","m/z":"134/74"},{"Metabolite":"NAD","PubChem":"5892  ","m/z":"664/428"},{"Metabolite":"Nam","PubChem":"936","m/z":"123/80"},{"Metabolite":"Nicotinic acid","PubChem":"938  ","m/z":"124/78"},{"Metabolite":"v-cADPR-x","PubChem":"new in this study  ","m/z":"542/428"}]
}

}