{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003101","ANALYSIS_ID":"AN005073","VERSION":"1","CREATED_ON":"February 23, 2024, 7:46 am"},

"PROJECT":{"PROJECT_TITLE":"Parallel pheromonal, metabolite, and lipid analyses reveal patterns associated with early life transitions and ovary activation in honey bee (Apis mellifera) queens","PROJECT_SUMMARY":"We used a novel pheromone detection method to quantify retinue pheromone (QRP) concurrently with shotgun metabolomics and lipidomics analysis to determine what changes in pheromones and small molecules may underpin differences in age, laying status, and acceptance by workers in honey bee queens.","INSTITUTE":"Life Sciences Institute, The University of British Columbia","LAST_NAME":"Alcazar Magana","FIRST_NAME":"Armando","ADDRESS":"2350 Health Sciences Mall, Vancouver, BC, V6T1Z3, Canada","EMAIL":"armando.alcazarmagana@ubc.ca","PHONE":"5416097172"},

"STUDY":{"STUDY_TITLE":"Parallel pheromonal, metabolite, and lipid analyses reveal patterns associated with early life transitions and ovary activation in honey bee (Apis mellifera) queens","STUDY_SUMMARY":"We used a novel pheromone detection method to quantify retinue pheromone (QRP) concurrently with shotgun metabolomics and lipidomics analysis to determine what changes in pheromones and small molecules may underpin differences in age, laying status, and acceptance by workers in honey bee queens.","INSTITUTE":"Life Sciences Institute, The University of British Columbia","LAST_NAME":"Alcazar Magana","FIRST_NAME":"Armando","ADDRESS":"2350 Health Sciences Mall, Vancouver, BC, V6T1Z3, Canada","EMAIL":"armando.alcazarmagana@ubc.ca","PHONE":"5416097172","NUM_GROUPS":"4","TOTAL_SUBJECTS":"40","NUM_FEMALES":"40"},

"SUBJECT":{"SUBJECT_TYPE":"Insect","SUBJECT_SPECIES":"Apis mellifera","GENDER":"Female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"V1",
"Factors":{"Sample source":"Bee head","Treatment":"Virgin"},
"Additional sample data":{"RAW_FILE_NAME":"V1_11-1-2023_R-A2_14936","RAW_FILE_NAME":"V1_11-2-2023_R-A2_15001","RAW_FILE_NAME":"V1_11-3-2023_R-A2_15065","RAW_FILE_NAME":"V1_11-4-2023_R-A2_15124"}
},
{
"Subject ID":"-",
"Sample ID":"V2",
"Factors":{"Sample source":"Bee head","Treatment":"Virgin"},
"Additional sample data":{"RAW_FILE_NAME":"V2_10-31-2023_R-A3_14896","RAW_FILE_NAME":"V2_11-1-2023_R-A3_14961","RAW_FILE_NAME":"V2_11-2-2023_R-A3_15025","RAW_FILE_NAME":"V2_11-3-2023_R-A3_15084"}
},
{
"Subject ID":"-",
"Sample ID":"V3",
"Factors":{"Sample source":"Bee head","Treatment":"Virgin"},
"Additional sample data":{"RAW_FILE_NAME":"V3_11-1-2023_R-A4_14913","RAW_FILE_NAME":"V3_11-1-2023_R-A4_14978","RAW_FILE_NAME":"V3_11-3-2023_R-A4_15042","RAW_FILE_NAME":"V3_11-3-2023_R-A4_15101"}
},
{
"Subject ID":"-",
"Sample ID":"V4",
"Factors":{"Sample source":"Bee head","Treatment":"Virgin"},
"Additional sample data":{"RAW_FILE_NAME":"V4_10-31-2023_R-A5_14905","RAW_FILE_NAME":"V4_11-1-2023_R-A5_14970","RAW_FILE_NAME":"V4_11-2-2023_R-A5_15034","RAW_FILE_NAME":"V4_11-3-2023_R-A5_15093"}
},
{
"Subject ID":"-",
"Sample ID":"V5",
"Factors":{"Sample source":"Bee head","Treatment":"Virgin"},
"Additional sample data":{"RAW_FILE_NAME":"V5_10-31-2023_R-A6_14902","RAW_FILE_NAME":"V5_11-1-2023_R-A6_14967","RAW_FILE_NAME":"V5_11-2-2023_R-A6_15031","RAW_FILE_NAME":"V5_11-3-2023_R-A6_15090"}
},
{
"Subject ID":"-",
"Sample ID":"V6",
"Factors":{"Sample source":"Bee head","Treatment":"Virgin"},
"Additional sample data":{"RAW_FILE_NAME":"V6_11-1-2023_R-A7_14933","RAW_FILE_NAME":"V6_11-2-2023_R-A7_14998","RAW_FILE_NAME":"V6_11-3-2023_R-A7_15062","RAW_FILE_NAME":"V6_11-4-2023_R-A7_15121"}
},
{
"Subject ID":"-",
"Sample ID":"V7",
"Factors":{"Sample source":"Bee head","Treatment":"Virgin"},
"Additional sample data":{"RAW_FILE_NAME":"V7_11-1-2023_R-A8_14939","RAW_FILE_NAME":"V7_11-2-2023_R-A8_15004","RAW_FILE_NAME":"V7_11-3-2023_R-A8_15068","RAW_FILE_NAME":"V7_11-4-2023_R-A8_15127"}
},
{
"Subject ID":"-",
"Sample ID":"V8",
"Factors":{"Sample source":"Bee head","Treatment":"Virgin"},
"Additional sample data":{"RAW_FILE_NAME":"V8_11-1-2023_R-A9_14926","RAW_FILE_NAME":"V8_11-2-2023_R-A9_14991","RAW_FILE_NAME":"V8_11-3-2023_R-A9_15055","RAW_FILE_NAME":"V8_11-3-2023_R-A9_15114"}
},
{
"Subject ID":"-",
"Sample ID":"V9",
"Factors":{"Sample source":"Bee head","Treatment":"Virgin"},
"Additional sample data":{"RAW_FILE_NAME":"V9_11-1-2023_R-B1_14923","RAW_FILE_NAME":"V9_11-2-2023_R-B1_14988","RAW_FILE_NAME":"V9_11-3-2023_R-B1_15052","RAW_FILE_NAME":"V9_11-3-2023_R-B1_15111"}
},
{
"Subject ID":"-",
"Sample ID":"V10",
"Factors":{"Sample source":"Bee head","Treatment":"Virgin"},
"Additional sample data":{"RAW_FILE_NAME":"V10_11-1-2023_R-B2_14932","RAW_FILE_NAME":"V10_11-2-2023_R-B2_14997","RAW_FILE_NAME":"V10_11-3-2023_R-B2_15061","RAW_FILE_NAME":"V10_11-4-2023_R-B2_15120"}
},
{
"Subject ID":"-",
"Sample ID":"Q11",
"Factors":{"Sample source":"Bee head","Treatment":"Early mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q11_11-1-2023_R-B4_14920","RAW_FILE_NAME":"Q11_11-2-2023_R-B4_14985","RAW_FILE_NAME":"Q11_11-3-2023_R-B4_15049","RAW_FILE_NAME":"Q11_11-3-2023_R-B4_15108"}
},
{
"Subject ID":"-",
"Sample ID":"Q12",
"Factors":{"Sample source":"Bee head","Treatment":"Early mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q12_11-1-2023_R-B5_14910","RAW_FILE_NAME":"Q12_11-1-2023_R-B5_14975","RAW_FILE_NAME":"Q12_11-2-2023_R-B5_15039","RAW_FILE_NAME":"Q12_11-3-2023_R-B5_15098"}
},
{
"Subject ID":"-",
"Sample ID":"Q13",
"Factors":{"Sample source":"Bee head","Treatment":"Early mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q13_11-1-2023_R-B6_14938","RAW_FILE_NAME":"Q13_11-2-2023_R-B6_15003","RAW_FILE_NAME":"Q13_11-3-2023_R-B6_15067","RAW_FILE_NAME":"Q13_11-4-2023_R-B6_15126"}
},
{
"Subject ID":"-",
"Sample ID":"Q14",
"Factors":{"Sample source":"Bee head","Treatment":"Early mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q14_11-1-2023_R-B7_14934","RAW_FILE_NAME":"Q14_11-2-2023_R-B7_14999","RAW_FILE_NAME":"Q14_11-3-2023_R-B7_15063","RAW_FILE_NAME":"Q14_11-4-2023_R-B7_15122"}
},
{
"Subject ID":"-",
"Sample ID":"Q15",
"Factors":{"Sample source":"Bee head","Treatment":"Early mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q15_11-1-2023_R-B8_14911","RAW_FILE_NAME":"Q15_11-1-2023_R-B8_14976","RAW_FILE_NAME":"Q15_11-2-2023_R-B8_15040","RAW_FILE_NAME":"Q15_11-3-2023_R-B8_15099"}
},
{
"Subject ID":"-",
"Sample ID":"Q16",
"Factors":{"Sample source":"Bee head","Treatment":"Early mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q16_11-1-2023_R-B9_14909","RAW_FILE_NAME":"Q16_11-1-2023_R-B9_14974","RAW_FILE_NAME":"Q16_11-2-2023_R-B9_15038","RAW_FILE_NAME":"Q16_11-3-2023_R-B9_15097"}
},
{
"Subject ID":"-",
"Sample ID":"Q17",
"Factors":{"Sample source":"Bee head","Treatment":"Early mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q17_10-31-2023_R-C1_14903","RAW_FILE_NAME":"Q17_11-1-2023_R-C1_14968","RAW_FILE_NAME":"Q17_11-2-2023_R-C1_15032","RAW_FILE_NAME":"Q17_11-3-2023_R-C1_15091"}
},
{
"Subject ID":"-",
"Sample ID":"Q18",
"Factors":{"Sample source":"Bee head","Treatment":"Early mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q18_11-1-2023_R-C2_14917","RAW_FILE_NAME":"Q18_11-2-2023_R-C2_14982","RAW_FILE_NAME":"Q18_11-3-2023_R-C2_15046","RAW_FILE_NAME":"Q18_11-3-2023_R-C2_15105"}
},
{
"Subject ID":"-",
"Sample ID":"Q19",
"Factors":{"Sample source":"Bee head","Treatment":"Early mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q19_11-1-2023_R-C3_14916","RAW_FILE_NAME":"Q19_11-2-2023_R-C3_14981","RAW_FILE_NAME":"Q19_11-3-2023_R-C3_15045","RAW_FILE_NAME":"Q19_11-3-2023_R-C3_15104"}
},
{
"Subject ID":"-",
"Sample ID":"Q20",
"Factors":{"Sample source":"Bee head","Treatment":"Early mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q20_10-31-2023_R-C4_14904","RAW_FILE_NAME":"Q20_11-1-2023_R-C4_14969","RAW_FILE_NAME":"Q20_11-2-2023_R-C4_15033","RAW_FILE_NAME":"Q20_11-3-2023_R-C4_15092"}
},
{
"Subject ID":"-",
"Sample ID":"Q21",
"Factors":{"Sample source":"Bee head","Treatment":"Banked"},
"Additional sample data":{"RAW_FILE_NAME":"Q21_11-1-2023_R-C6_14915","RAW_FILE_NAME":"Q21_11-1-2023_R-C6_14980","RAW_FILE_NAME":"Q21_11-3-2023_R-C6_15044","RAW_FILE_NAME":"Q21_11-3-2023_R-C6_15103"}
},
{
"Subject ID":"-",
"Sample ID":"Q22",
"Factors":{"Sample source":"Bee head","Treatment":"Banked"},
"Additional sample data":{"RAW_FILE_NAME":"Q22_11-1-2023_R-C7_14921","RAW_FILE_NAME":"Q22_11-2-2023_R-C7_14986","RAW_FILE_NAME":"Q22_11-3-2023_R-C7_15050","RAW_FILE_NAME":"Q22_11-3-2023_R-C7_15109"}
},
{
"Subject ID":"-",
"Sample ID":"Q23",
"Factors":{"Sample source":"Bee head","Treatment":"Banked"},
"Additional sample data":{"RAW_FILE_NAME":"Q23_11-1-2023_R-C8_14914","RAW_FILE_NAME":"Q23_11-1-2023_R-C8_14979","RAW_FILE_NAME":"Q23_11-3-2023_R-C8_15043","RAW_FILE_NAME":"Q23_11-3-2023_R-C8_15102"}
},
{
"Subject ID":"-",
"Sample ID":"Q24",
"Factors":{"Sample source":"Bee head","Treatment":"Banked"},
"Additional sample data":{"RAW_FILE_NAME":"Q24_11-1-2023_R-C9_14941","RAW_FILE_NAME":"Q24_11-2-2023_R-C9_15006","RAW_FILE_NAME":"Q24_11-3-2023_R-C9_15070","RAW_FILE_NAME":"Q24_11-4-2023_R-C9_15129"}
},
{
"Subject ID":"-",
"Sample ID":"Q25",
"Factors":{"Sample source":"Bee head","Treatment":"Banked"},
"Additional sample data":{"RAW_FILE_NAME":"Q25_11-1-2023_R-D1_14908","RAW_FILE_NAME":"Q25_11-1-2023_R-D1_14973","RAW_FILE_NAME":"Q25_11-2-2023_R-D1_15037","RAW_FILE_NAME":"Q25_11-3-2023_R-D1_15096"}
},
{
"Subject ID":"-",
"Sample ID":"Q26",
"Factors":{"Sample source":"Bee head","Treatment":"Banked"},
"Additional sample data":{"RAW_FILE_NAME":"Q26_11-1-2023_R-D2_14940","RAW_FILE_NAME":"Q26_11-2-2023_R-D2_15005","RAW_FILE_NAME":"Q26_11-3-2023_R-D2_15069","RAW_FILE_NAME":"Q26_11-4-2023_R-D2_15128"}
},
{
"Subject ID":"-",
"Sample ID":"Q27",
"Factors":{"Sample source":"Bee head","Treatment":"Banked"},
"Additional sample data":{"RAW_FILE_NAME":"Q27_11-1-2023_R-D3_14929","RAW_FILE_NAME":"Q27_11-2-2023_R-D3_14994","RAW_FILE_NAME":"Q27_11-3-2023_R-D3_15058","RAW_FILE_NAME":"Q27_11-4-2023_R-D3_15117"}
},
{
"Subject ID":"-",
"Sample ID":"Q28",
"Factors":{"Sample source":"Bee head","Treatment":"Banked"},
"Additional sample data":{"RAW_FILE_NAME":"Q28_10-31-2023_R-D4_14897","RAW_FILE_NAME":"Q28_11-1-2023_R-D4_14962","RAW_FILE_NAME":"Q28_11-2-2023_R-D4_15026","RAW_FILE_NAME":"Q28_11-3-2023_R-D4_15085"}
},
{
"Subject ID":"-",
"Sample ID":"Q29",
"Factors":{"Sample source":"Bee head","Treatment":"Banked"},
"Additional sample data":{"RAW_FILE_NAME":"Q29_10-31-2023_R-D5_14898","RAW_FILE_NAME":"Q29_11-1-2023_R-D5_14963","RAW_FILE_NAME":"Q29_11-2-2023_R-D5_15027","RAW_FILE_NAME":"Q29_11-3-2023_R-D5_15086"}
},
{
"Subject ID":"-",
"Sample ID":"Q30",
"Factors":{"Sample source":"Bee head","Treatment":"Banked"},
"Additional sample data":{"RAW_FILE_NAME":"Q30_10-31-2023_R-D6_14899","RAW_FILE_NAME":"Q30_11-1-2023_R-D6_14964","RAW_FILE_NAME":"Q30_11-2-2023_R-D6_15028","RAW_FILE_NAME":"Q30_11-3-2023_R-D6_15087"}
},
{
"Subject ID":"-",
"Sample ID":"Q31",
"Factors":{"Sample source":"Bee head","Treatment":"Late mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q31_11-1-2023_R-D8_14925","RAW_FILE_NAME":"Q31_11-2-2023_R-D8_14990","RAW_FILE_NAME":"Q31_11-3-2023_R-D8_15054","RAW_FILE_NAME":"Q31_11-3-2023_R-D8_15113"}
},
{
"Subject ID":"-",
"Sample ID":"Q32",
"Factors":{"Sample source":"Bee head","Treatment":"Late mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q32_11-1-2023_R-D9_14935","RAW_FILE_NAME":"Q32_11-2-2023_R-D9_15000","RAW_FILE_NAME":"Q32_11-3-2023_R-D9_15064","RAW_FILE_NAME":"Q32_11-4-2023_R-D9_15123"}
},
{
"Subject ID":"-",
"Sample ID":"Q33",
"Factors":{"Sample source":"Bee head","Treatment":"Late mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q33_11-1-2023_R-E1_14912","RAW_FILE_NAME":"Q33_11-1-2023_R-E1_14977","RAW_FILE_NAME":"Q33_11-3-2023_R-E1_15041","RAW_FILE_NAME":"Q33_11-3-2023_R-E1_15100"}
},
{
"Subject ID":"-",
"Sample ID":"Q34",
"Factors":{"Sample source":"Bee head","Treatment":"Late mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q34_11-1-2023_R-E2_14937","RAW_FILE_NAME":"Q34_11-2-2023_R-E2_15002","RAW_FILE_NAME":"Q34_11-3-2023_R-E2_15066","RAW_FILE_NAME":"Q34_11-4-2023_R-E2_15125"}
},
{
"Subject ID":"-",
"Sample ID":"Q35",
"Factors":{"Sample source":"Bee head","Treatment":"Late mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q35_11-1-2023_R-E3_14928","RAW_FILE_NAME":"Q35_11-2-2023_R-E3_14993","RAW_FILE_NAME":"Q35_11-3-2023_R-E3_15057","RAW_FILE_NAME":"Q35_11-4-2023_R-E3_15116"}
},
{
"Subject ID":"-",
"Sample ID":"Q36",
"Factors":{"Sample source":"Bee head","Treatment":"Late mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q36_11-1-2023_R-E4_14927","RAW_FILE_NAME":"Q36_11-2-2023_R-E4_14992","RAW_FILE_NAME":"Q36_11-3-2023_R-E4_15056","RAW_FILE_NAME":"Q36_11-3-2023_R-E4_15115"}
},
{
"Subject ID":"-",
"Sample ID":"Q37",
"Factors":{"Sample source":"Bee head","Treatment":"Late mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q37_10-31-2023_R-E5_14900","RAW_FILE_NAME":"Q37_11-1-2023_R-E5_14965","RAW_FILE_NAME":"Q37_11-2-2023_R-E5_15029","RAW_FILE_NAME":"Q37_11-3-2023_R-E5_15088"}
},
{
"Subject ID":"-",
"Sample ID":"Q38",
"Factors":{"Sample source":"Bee head","Treatment":"Late mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q38_11-1-2023_R-E6_14922","RAW_FILE_NAME":"Q38_11-2-2023_R-E6_14987","RAW_FILE_NAME":"Q38_11-3-2023_R-E6_15051","RAW_FILE_NAME":"Q38_11-3-2023_R-E6_15110"}
},
{
"Subject ID":"-",
"Sample ID":"Q39",
"Factors":{"Sample source":"Bee head","Treatment":"Late mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q39_10-31-2023_R-E7_14901","RAW_FILE_NAME":"Q39_11-1-2023_R-E7_14966","RAW_FILE_NAME":"Q39_11-2-2023_R-E7_15030","RAW_FILE_NAME":"Q39_11-3-2023_R-E7_15089"}
},
{
"Subject ID":"-",
"Sample ID":"Q40",
"Factors":{"Sample source":"Bee head","Treatment":"Late mated"},
"Additional sample data":{"RAW_FILE_NAME":"Q40_11-1-2023_R-E8_14924","RAW_FILE_NAME":"Q40_11-2-2023_R-E8_14989","RAW_FILE_NAME":"Q40_11-3-2023_R-E8_15053","RAW_FILE_NAME":"Q40_11-3-2023_R-E8_15112"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Queens were produced by Scandia Honey in May 2023 in Scandia, AB, Canada, according to standard queen rearing methods.","SAMPLE_TYPE":"queen bee head","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"very young (≤ 1 day old) larvae were grafted from a single mother colony into queen cell cups (JZBZ) and reared into queen cells in strong cell builder colonies. Ten days after grafting (June 1), queen cells were placed in mating nucleus colonies (nucs)."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"two-phase extraction was conducted according to methods previously described at J. Lipid Res. 49, 1137–1146 (2008)","PROCESSING_STORAGE_CONDITIONS":"4℃","EXTRACT_STORAGE":"-80℃"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Separation of compounds was achieved using a multigradient method on an Inertsil Ph-3 UHPLC column (2 µm, 150 x 2.1 mm) (GL Sciences) equipped with a Ph-3 guard column (2 µm, 2.1 x 10 mm","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Inertsil Ph-3 UHPLC column (2 µm, 150 x 2.1 mm)","SOLVENT_A":"100% water; 0.1% formic acid","SOLVENT_B":"100% methanol; 0.1% formic acid","FLOW_GRADIENT":"0 min (5% B), 0–1 min (5% B), 1–8 min (35% B), 8–10.5 min (99% B), 10.5–14 min (99% B), 14–14.5 min (5% B), and 14.5–18 min (5% B)","FLOW_RATE":"0.3 ml/min","COLUMN_TEMPERATURE":"55"},

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

"MS":{"INSTRUMENT_NAME":"Bruker Impact II","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"For negative ionization mode, the capillary voltage was set at -3500 V.","MS_RESULTS_FILE":"ST003101_AN005073_Results.txt UNITS:Rel Abundance Has m/z:Yes Has RT:Yes RT units:Minutes"},

"MS_METABOLITE_DATA":{
"Units":"Rel Abundance",

"Data":[{"Metabolite":"1,4-cyclohexanedicarboxylic acid","V1":"167.7333316","V2":"203.7271538","V3":"211.2347088","V4":"150.3813072","V5":"188.7494256","V6":"337.5350603","V7":"162.085564","V8":"198.782949","V9":"152.775571","V10":"192.1289243","Q11":"1346.178895","Q12":"1229.486138","Q13":"1787.832014","Q14":"1013.541392","Q15":"2463.251471","Q16":"2036.221193","Q17":"2368.967938","Q18":"1139.897857","Q19":"1521.176338","Q20":"1511.676791","Q21":"1926.94052","Q22":"1672.963793","Q23":"1976.779107","Q24":"1104.40048","Q25":"1030.616862","Q26":"1217.901698","Q27":"990.5853342","Q28":"2280.11045","Q29":"1137.775843","Q30":"1078.057405","Q31":"1733.816545","Q32":"2030.783517","Q33":"1586.682421","Q34":"1488.179061","Q35":"1436.187152","Q36":"1752.553274","Q37":"2068.411434","Q38":"1889.625584","Q39":"2759.704144","Q40":"1808.67063"},{"Metabolite":"2-hydroxy-3-methylpentanoic 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"Metabolites":[{"metabolite_name":"1,4-cyclohexanedicarboxylic acid"},{"metabolite_name":"2-hydroxy-3-methylpentanoic acid"},{"metabolite_name":"2-hydroxyoctanoic acid"},{"metabolite_name":"2-hydroxyquinoline"},{"metabolite_name":"2''-o-Methyluridine"},{"metabolite_name":"3,4-dihydroxymandelic acid"},{"metabolite_name":"3-hydroxy-1-(4-hydroxyphenyl)propan-1-one"},{"metabolite_name":"3-hydroxybenzoic acid"},{"metabolite_name":"3-hydroxycinnamic acid"},{"metabolite_name":"3-hydroxykynurenine"},{"metabolite_name":"3-hydroxysebacic acid"},{"metabolite_name":"3-methylcatechol"},{"metabolite_name":"4-hydroxybenzaldehyde"},{"metabolite_name":"4-hydroxybenzoic acid"},{"metabolite_name":"10-hydroxydecanoic acid"},{"metabolite_name":"biopterin"},{"metabolite_name":"5-hydroxyindoleacetic acid"},{"metabolite_name":"acetyl-L-tyrosine"},{"metabolite_name":"tetradecanedioic acid"},{"metabolite_name":"traumatic acid"},{"metabolite_name":"gamma-glu-leu"},{"metabolite_name":"PE(18:1(9Z)/0:0)"},{"metabolite_name":"3,4-dihydroxyphenyl ethanol"},{"metabolite_name":"4-hydroxyacetophenone"},{"metabolite_name":"adenine hydrochloride hydrate"},{"metabolite_name":"adenosine 5''-monophosphate disodium salt"},{"metabolite_name":"allantoin"},{"metabolite_name":"alpha-N-acetyl-glutamate"},{"metabolite_name":"L-asparagine"},{"metabolite_name":"L-aspartic acid"},{"metabolite_name":"beta-glycerophosphate disodium salt hydrate"},{"metabolite_name":"nicotinamide adenine dinucleotide hydrate"},{"metabolite_name":"biotin"},{"metabolite_name":"caffeic acid"},{"metabolite_name":"cis-aconitic acid; LC-tDDA; CE10"},{"metabolite_name":"citric acid"},{"metabolite_name":"L-citrulline"},{"metabolite_name":"decanedioic acid"},{"metabolite_name":"2''-deoxyguanosine monohydrate"},{"metabolite_name":"D-ornithine monohydrochloride"},{"metabolite_name":"D-phenylalanine-d5"},{"metabolite_name":"ETHANOLAMINE PHOSPHATE"},{"metabolite_name":"4-Hydroxy-3-methoxycinnamic acid"},{"metabolite_name":"ferulic acid-d3"},{"metabolite_name":"gamma-glutamylleucine"},{"metabolite_name":"gamma-glutamylmethionine"},{"metabolite_name":"sodium gluconate"},{"metabolite_name":"gluconolactone"},{"metabolite_name":"D-glucuronic acid sodium salt monohydrate"},{"metabolite_name":"glutaric acid"},{"metabolite_name":"L-glutathione reduced"},{"metabolite_name":"guanosine"},{"metabolite_name":"gluose"},{"metabolite_name":"L-histidine"},{"metabolite_name":"glycerylphosphorylethanolamine"},{"metabolite_name":"glutathione"},{"metabolite_name":"L-cystine"},{"metabolite_name":"cis-4-hydroxycyclohexylacetic acid"},{"metabolite_name":"phenylpropionylglycine"},{"metabolite_name":"7-methylinosine"},{"metabolite_name":"3-oxododecanoic acid"},{"metabolite_name":"L-beta-aspartyl-L-leucine"},{"metabolite_name":"uridine 2'',3''-cyclic phosphate"},{"metabolite_name":"lubiprostone"},{"metabolite_name":"glycyl-phenylalanine"},{"metabolite_name":"phenylalanylisoleucine"},{"metabolite_name":"tyrosylhydroxyproline"},{"metabolite_name":"gamma-glutamyltryptophan"},{"metabolite_name":"talaromycin A"},{"metabolite_name":"N-(1-deoxy-1-fructosyl)tryptophan"},{"metabolite_name":"pelargonidin 3-rhamnoside 5-glucoside"},{"metabolite_name":"nepetariaside"},{"metabolite_name":"2-cinnamoyl-1-galloyl-beta-D-glucopyranose"},{"metabolite_name":"4-O-alpha-D-galactopyranuronosyl-D-galacturonic acid"},{"metabolite_name":"4-hydroxy-6-methyl-3-(1-oxobutyl)-2H-pyran-2-one"},{"metabolite_name":"N-acetyldopamine"},{"metabolite_name":"2-ethylsuberic acid"},{"metabolite_name":"indole-3-acetic-acid-O-glucuronide"},{"metabolite_name":"1-stearoylglycerophosphoserine"},{"metabolite_name":"PS(15:0/22:0)"},{"metabolite_name":"PS(24:1(15Z)/15:0)"},{"metabolite_name":"glycerophosphoglycerol"},{"metabolite_name":"3-hydroxy-2-oxoindole"},{"metabolite_name":"HMDB0242754"},{"metabolite_name":"1-heneicosanoyl-glycero-3-phosphoserine"},{"metabolite_name":"2'',5''-dideoxyadenosine"},{"metabolite_name":"D-glucosamine-6-phosphate"},{"metabolite_name":"N-desmethyl topotecan"},{"metabolite_name":"SM(d19:0/18:1(12Z)-2OH(9,10))"},{"metabolite_name":"2-aminoadipic acid"},{"metabolite_name":"4-hydroxybenzoyl glucose"},{"metabolite_name":"methyl p-hydroxybenzoate"},{"metabolite_name":"homogentisic acid"},{"metabolite_name":"homovanillic acid"},{"metabolite_name":"indole-3-carboxaldehyde"},{"metabolite_name":"inosine"},{"metabolite_name":"DL-isocitric acid trisodium salt hydrate"},{"metabolite_name":"isoleucine"},{"metabolite_name":"isoxanthopterin"},{"metabolite_name":"kynurenic acid; LC-tDDA; CE20"},{"metabolite_name":"linolenic acid"},{"metabolite_name":"L-methionine sulfone"},{"metabolite_name":"methionine-methyl-D3"},{"metabolite_name":"methioninesulfoxide"},{"metabolite_name":"N1-methylguanosine; LC-tDDA; CE30"},{"metabolite_name":"N2,N2-dimethylguanosine"},{"metabolite_name":"N6-acetyl-lysine; LC-tDDA; CE20"},{"metabolite_name":"N-acetyl-L-aspartic acid"},{"metabolite_name":"N-acetyl-DL-glutamic acid"},{"metabolite_name":"N-acetyl-histamine; LC-tDDA; CE20"},{"metabolite_name":"NAD"},{"metabolite_name":"N-acetyl-L-lysine"},{"metabolite_name":"N-methyl-L-glutamic acid"},{"metabolite_name":"12-hydroxydodecanoic acid"},{"metabolite_name":"orotic acid monohydrate"},{"metabolite_name":"(R)-(+)-2-pyrrolidone-5-carboxylic acid"},{"metabolite_name":"pantothenic acid"},{"metabolite_name":"p-coumaraldehyde"},{"metabolite_name":"p-coumaryl alcohol"},{"metabolite_name":"PE 18:0_22:6;4O"},{"metabolite_name":"phenylalanine"},{"metabolite_name":"pipecolic acid"},{"metabolite_name":"pyridoxamine dihydrochloride"},{"metabolite_name":"salicylic Acid"},{"metabolite_name":"suberic acid"},{"metabolite_name":"taurine"},{"metabolite_name":"thymidine"},{"metabolite_name":"thymidine-5''-monophosphate"},{"metabolite_name":"trans-cinnamic acid"},{"metabolite_name":"L-tyrosine"},{"metabolite_name":"uric acid"},{"metabolite_name":"ureidopropionate"},{"metabolite_name":"uridine"},{"metabolite_name":"uridine 5''-diphospho-N-acetylglucosamine sodium salt"},{"metabolite_name":"uridine 5''-monophosphate"},{"metabolite_name":"xanthine"},{"metabolite_name":"xanthosine dihydrate"},{"metabolite_name":"xanthurenic acid"}]
}

}