{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000221","ANALYSIS_ID":"AN000330","VERSION":"1","CREATED_ON":"2016-09-17"},

"PROJECT":{"PROJECT_TITLE":"Identification of altered metabolites in normal plasma cells, slow progression myeloma and fast progression multiple meyloma","PROJECT_TYPE":"Untargeted LC-MS Metabolomics","PROJECT_SUMMARY":"This experiment is comparing the metabolite profiles between normal plasma and clonal plasma cells from multiple myeloma patients.","INSTITUTE":"Mayo Clinic","DEPARTMENT":"Neurology","LAST_NAME":"Gonsalves","FIRST_NAME":"Wilson","ADDRESS":"200 First Street SW, Rochester, MN 55905","EMAIL":"Dasari.Surendra@mayo.edu","PHONE":"507-284-0513"},

"STUDY":{"STUDY_TITLE":"Normal plasma cells,Low proliferation multiple myeloma and High proliferation myeloma cells","STUDY_TYPE":"differential metabolomics","STUDY_SUMMARY":"CD138 sorted bone marrow plasma cell were obtained from a normal patient, a myelow with slow proliferation and a multiple myelow with rapid proliferation.","INSTITUTE":"Mayo Clinic","DEPARTMENT":"Hematology","LAST_NAME":"Gonsalves","FIRST_NAME":"William","ADDRESS":"-","EMAIL":"Dasari.Surendra@mayo.edu","PHONE":"-","NUM_GROUPS":"1","TOTAL_SUBJECTS":"1"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"BM049394SC004",
"Factors":{"Cognitive Status":"fast MM"}
},
{
"Subject ID":"-",
"Sample ID":"BM049429SC001",
"Factors":{"Cognitive Status":"normal"}
},
{
"Subject ID":"-",
"Sample ID":"BM049411SC003",
"Factors":{"Cognitive Status":"slow MM"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Bone marrow cells were collected after fasting. Collected cells were CD138 and frozen in -80C until analysis.","SAMPLE_TYPE":"Bone marrow cells","COLLECTION_LOCATION":"Illiac crest"},

"TREATMENT":{"TREATMENT_SUMMARY":"-"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"1) Incubated cell pellets on ice for 15 min 2) Added PBS to cells and vortex Sonicate for 1 min in ice bath 4) Added MeOH+ACN mixture to cells and vortex Sonicated for 1 min in ice bath 6) Incubated on ice for 30 min + spin for 20 at 18K RPM 7) Combined 110 ul from each sample into a pool sample (330 ul Split pool into two fractions of 150 ul each (hilic & C18) 9) Split remaning into 150 ul x 2 (hilic & C18)"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"HILIC","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"ethylene-bridged hybrid 2.1 150 mm, 1.7 m; Waters","CHROMATOGRAPHY_COMMENTS":"Metabolite separation was achieved using an Acquity UPLC system (Waters, MA) with both hydrophilic interaction chromatography (HILIC) (ethylene-bridged 2.1150 mm, 1.7 mm; Waters) and reversed-phase liquid chromatography C18 (RPLC) silica 2.1150 mm, 1.8 m; Waters). For each column, the run time was 20 min at a rate of 400 L/min. Reverse-phase chromatography was performed using 99% solvent (5 mmol/L NH4 acetate, 0.1% formic acid, and 1% acetonitrile) to 100% solvent B acetonitrile with 0.1% formic acid). The gradient was 0 min, 0% B; 1 min, 0% B; min, 5% B; 13.0 min, 100% B; 16 min, 100% B; 16.5 min, 0% B; and 20 min, 0% B. hydrophilic interaction chromatography gradient was as follows: 0 min, 100% B; min, 100% B; 5 min, 90% B; 13.0 min, 0% B; 16 min, 0% B; 16.5 min, 100% B; and min, 100% B. The injection volume of each sample was 5 L and column was at 50C."},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6220 TOF","INSTRUMENT_TYPE":"TOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"HILIC-PESI (-ve ESI) A 6220 ToF-MS (Agilent Technologies) was operated in both and negative electrospray ionization (ESI) modes using a scan range of m/z. The mass accuracy and mass resolution were 5 parts per million (ppm) and ppm, respectively. The instrument settings were as follows: nebulizer gas 325°C, capillary voltage 3.5 kV, capillary temperature 300°C, fragmentor 150 V, skimmer voltage 58 V, octapole voltage 250 V, cycle time 0.5 s, and run 15.0 min. Negative HILEC"},

"MS_METABOLITE_DATA":{
"Units":"Peak area",

"Data":[{"Metabolite":"1-(2E_6E-phytadienyl)-2-(2E_6E-phytadienyl)-sn-glycero-3-phosphocholine","BM049394SC004":"2560.1308","BM049429SC001":"608.4826","BM049411SC003":"36.9886"},{"Metabolite":"1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1_2-carbamate","BM049394SC004":"188.1796","BM049429SC001":"2577.8287","BM049411SC003":"1415.6908"},{"Metabolite":"1-O-alpha-D-glucopyranosyl-(2-hexadecanoyloxy)-eicosan-1-ol","BM049394SC004":"12447.7015","BM049429SC001":"5481.9067","BM049411SC003":"2137.1980"},{"Metabolite":"27-nor-campestan-3beta_4beta_5alpha_6alpha_7beta_8beta_14alpha_15alpha_24-nonol","BM049394SC004":"0.0000","BM049429SC001":"739.0876","BM049411SC003":"32.6015"},{"Metabolite":"3-iodo-2E-acrylic acid","BM049394SC004":"49.3657","BM049429SC001":"37.9381","BM049411SC003":"26.2703"},{"Metabolite":"3^-N-Acetyl-4^-O-(10_12-octadecadienoyl)fusarochromanone","BM049394SC004":"0.0000","BM049429SC001":"2353.6865","BM049411SC003":"117.7451"},{"Metabolite":"5-Ethynyl-5^-(1-propynyl)-2_2^-bithiophene","BM049394SC004":"474.2662","BM049429SC001":"307.2734","BM049411SC003":"47.4384"},{"Metabolite":"Apraclonidine","BM049394SC004":"2865.5773","BM049429SC001":"2875.8259","BM049411SC003":"15695.6452"},{"Metabolite":"Bradykinin hydroxyproline","BM049394SC004":"2477.7353","BM049429SC001":"323.9787","BM049411SC003":"1416.0494"},{"Metabolite":"Brassilexin","BM049394SC004":"9.1521","BM049429SC001":"8.1304","BM049411SC003":"3.1737"},{"Metabolite":"Chloramphenicol","BM049394SC004":"402.1937","BM049429SC001":"533.1110","BM049411SC003":"2220.0918"},{"Metabolite":"Cyclolinopeptide F","BM049394SC004":"1617.7522","BM049429SC001":"554.9108","BM049411SC003":"310.6887"},{"Metabolite":"Cysteineglutathione disulfide","BM049394SC004":"622.4092","BM049429SC001":"622.6780","BM049411SC003":"1661.5568"},{"Metabolite":"Cytosine","BM049394SC004":"1486.9224","BM049429SC001":"137.3011","BM049411SC003":"66.1993"},{"Metabolite":"Dehydrocarpaine I","BM049394SC004":"40.8894","BM049429SC001":"2291.1114","BM049411SC003":"276.0107"},{"Metabolite":"Ecabet","BM049394SC004":"810.8448","BM049429SC001":"1565.8013","BM049411SC003":"707.9398"},{"Metabolite":"Echinasteroside C 15-O-sulfate","BM049394SC004":"458.1482","BM049429SC001":"3706.0297","BM049411SC003":"438.3469"},{"Metabolite":"Ethacrynic acid","BM049394SC004":"3282.8364","BM049429SC001":"3708.0279","BM049411SC003":"12481.8477"},{"Metabolite":"Evasterioside C","BM049394SC004":"221.6601","BM049429SC001":"333.4275","BM049411SC003":"833.1497"},{"Metabolite":"Feruloylcholine","BM049394SC004":"107.0646","BM049429SC001":"2.0506","BM049411SC003":"232.9266"},{"Metabolite":"Glycerol triundecanoate","BM049394SC004":"641.8820","BM049429SC001":"673.1351","BM049411SC003":"2338.7989"},{"Metabolite":"Guanabenz","BM049394SC004":"763.2557","BM049429SC001":"348.7630","BM049411SC003":"112.5720"},{"Metabolite":"Guanidinosuccinic acid","BM049394SC004":"147.3207","BM049429SC001":"76.5797","BM049411SC003":"76.4623"},{"Metabolite":"Hydroxyzine","BM049394SC004":"52.1081","BM049429SC001":"63.4048","BM049411SC003":"98.9577"},{"Metabolite":"Kuwanon Z","BM049394SC004":"45.3157","BM049429SC001":"74.9777","BM049411SC003":"364.8663"},{"Metabolite":"Levamisole","BM049394SC004":"237.1806","BM049429SC001":"931.8171","BM049411SC003":"386.7346"},{"Metabolite":"Megalomicin B","BM049394SC004":"23685.8791","BM049429SC001":"10542.0416","BM049411SC003":"6034.6156"},{"Metabolite":"Methylarsonite","BM049394SC004":"5107.8816","BM049429SC001":"6076.9523","BM049411SC003":"11097.7629"},{"Metabolite":"Methylpyrazine","BM049394SC004":"119.1868","BM049429SC001":"5126.9447","BM049411SC003":"387.6763"},{"Metabolite":"N-Decanoylglycine","BM049394SC004":"111.3985","BM049429SC001":"54.7095","BM049411SC003":"665.6268"},{"Metabolite":"N-Glycoloylganglioside GM2","BM049394SC004":"131.3683","BM049429SC001":"34.0436","BM049411SC003":"39.5215"},{"Metabolite":"N-Methylcalystegine B2","BM049394SC004":"705.4161","BM049429SC001":"816.8209","BM049411SC003":"1557.8372"},{"Metabolite":"N-Nitrosothialdine","BM049394SC004":"50.2272","BM049429SC001":"32.8095","BM049411SC003":"9.1100"},{"Metabolite":"N-Nonanoylglycine","BM049394SC004":"202.4402","BM049429SC001":"165.9612","BM049411SC003":"346.9480"},{"Metabolite":"N-Undecanoylglycine","BM049394SC004":"47.3163","BM049429SC001":"30.5140","BM049411SC003":"1026.2850"},{"Metabolite":"N-Undecylbenzenesulfonic acid","BM049394SC004":"120143.6139","BM049429SC001":"248859.3362","BM049411SC003":"136235.6798"},{"Metabolite":"Octafluorocyclobutane","BM049394SC004":"10.5781","BM049429SC001":"6.8475","BM049411SC003":"4.3410"},{"Metabolite":"Pantothenic acid","BM049394SC004":"867.3596","BM049429SC001":"1905.2045","BM049411SC003":"342.7124"},{"Metabolite":"PA(P-20:0/21:0)","BM049394SC004":"131.8896","BM049429SC001":"19.6035","BM049411SC003":"20.8831"},{"Metabolite":"Peonidin","BM049394SC004":"4573.9553","BM049429SC001":"4970.1683","BM049411SC003":"20232.4751"},{"Metabolite":"PG(O-20:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z))","BM049394SC004":"1789.3925","BM049429SC001":"209.2230","BM049411SC003":"469.8369"},{"Metabolite":"Pimozide","BM049394SC004":"3.1482","BM049429SC001":"966.2784","BM049411SC003":"94.1948"},{"Metabolite":"PS(20:3(8Z_11Z_14Z)/0:0)","BM049394SC004":"437.6932","BM049429SC001":"305.7747","BM049411SC003":"151.9467"},{"Metabolite":"PS(P-20:0/17:2(9Z_12Z))","BM049394SC004":"72738.7903","BM049429SC001":"25046.6272","BM049411SC003":"24616.1018"},{"Metabolite":"Pyrazinamide","BM049394SC004":"1972.7043","BM049429SC001":"2080.8768","BM049411SC003":"414.6604"},{"Metabolite":"S-(2_5-Dimethyl-3-furanyl) 2-furancarbothioate","BM049394SC004":"2962.7934","BM049429SC001":"2938.4099","BM049411SC003":"880.8374"},{"Metabolite":"S-Acetyl dihydroasparagusic acid","BM049394SC004":"1299.4914","BM049429SC001":"1356.6196","BM049411SC003":"2898.0821"},{"Metabolite":"(±)-Sulfobutanedioic acid","BM049394SC004":"60.8053","BM049429SC001":"102.8604","BM049411SC003":"334.4585"},{"Metabolite":"Taurine","BM049394SC004":"6975.6309","BM049429SC001":"3368.2420","BM049411SC003":"562.2565"},{"Metabolite":"Terlipressin","BM049394SC004":"2361.6650","BM049429SC001":"1025.1264","BM049411SC003":"216.8232"},{"Metabolite":"Vignatic acid A","BM049394SC004":"640.8294","BM049429SC001":"64.8943","BM049411SC003":"107.3718"},{"Metabolite":"Vinaginsenoside R3","BM049394SC004":"876.7019","BM049429SC001":"176.0777","BM049411SC003":"284.1168"},{"Metabolite":"Xanthosine","BM049394SC004":"1532.0708","BM049429SC001":"43.1328","BM049411SC003":"0.0000"}],

"Metabolites":[{"Metabolite":"1-(2E,6E-phytadienyl)-2-(2E,6E-phytadienyl)-sn-glycero-3-phosphocholine","moverz_quant":"844.6341267","ri":"13.697","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"74380415","other_id_type":"MAYO_ID"},{"Metabolite":"1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate","moverz_quant":"480.1114611","ri":"0.827","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB37551","other_id_type":"MAYO_ID"},{"Metabolite":"1-O-alpha-D-glucopyranosyl-(2-hexadecanoyloxy)-eicosan-1-ol","moverz_quant":"751.5464339","ri":"4.618816667","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"74380338","other_id_type":"MAYO_ID"},{"Metabolite":"27-nor-campestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol","moverz_quant":"497.3122625","ri":"0.934866667","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"123069005","other_id_type":"MAYO_ID"},{"Metabolite":"3-iodo-2E-acrylic acid","moverz_quant":"178.9008032","ri":"3.440633333","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"135636028","other_id_type":"MAYO_ID"},{"Metabolite":"3'-N-Acetyl-4'-O-(10,12-octadecadienoyl)fusarochromanone","moverz_quant":"617.3570086","ri":"1.316533333","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB38566","other_id_type":"MAYO_ID"},{"Metabolite":"5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene","moverz_quant":"208.9878063","ri":"5.440216667","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB29735","other_id_type":"MAYO_ID"},{"Metabolite":"Apraclonidine","moverz_quant":"225.0096876","ri":"1.200366667","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB15099","other_id_type":"MAYO_ID"},{"Metabolite":"Bradykinin hydroxyproline","moverz_quant":"1056.542056","ri":"5.324066667","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB11728","other_id_type":"MAYO_ID"},{"Metabolite":"Brassilexin","moverz_quant":"173.0170487","ri":"1.9388","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB39638","other_id_type":"MAYO_ID"},{"Metabolite":"Chloramphenicol","moverz_quant":"302.99395","ri":"1.167183333","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB14589","other_id_type":"MAYO_ID"},{"Metabolite":"Cyclolinopeptide F","moverz_quant":"1104.467773","ri":"4.618816667","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB36479","other_id_type":"MAYO_ID"},{"Metabolite":"Cysteineglutathione disulfide","moverz_quant":"463.0380319","ri":"1.142283333","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB00656","other_id_type":"MAYO_ID"},{"Metabolite":"Cytosine","moverz_quant":"92.02550766","ri":"2.79345","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB00630","other_id_type":"MAYO_ID"},{"Metabolite":"Dehydrocarpaine I","moverz_quant":"513.3091738","ri":"1.001233333","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB30271","other_id_type":"MAYO_ID"},{"Metabolite":"Ecabet","moverz_quant":"401.0710189","ri":"0.98465","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB15613","other_id_type":"MAYO_ID"},{"Metabolite":"Echinasteroside C 15-O-sulfate","moverz_quant":"749.3439874","ri":"1.034433333","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"123069339","other_id_type":"MAYO_ID"},{"Metabolite":"Ethacrynic acid","moverz_quant":"282.9945271","ri":"1.0925","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB15039","other_id_type":"MAYO_ID"},{"Metabolite":"Evasterioside C","moverz_quant":"669.2955181","ri":"1.1174","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"123069329","other_id_type":"MAYO_ID"},{"Metabolite":"Feruloylcholine","moverz_quant":"298.187789","ri":"0.83895","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB32800","other_id_type":"MAYO_ID"},{"Metabolite":"Glycerol triundecanoate","moverz_quant":"297.2425538","ri":"1.1174","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB31089","other_id_type":"MAYO_ID"},{"Metabolite":"Guanabenz","moverz_quant":"250.9861991","ri":"2.785166667","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB14767","other_id_type":"MAYO_ID"},{"Metabolite":"Guanidinosuccinic acid","moverz_quant":"196.0333306","ri":"5.257683333","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB03157","other_id_type":"MAYO_ID"},{"Metabolite":"Hydroxyzine","moverz_quant":"355.1580143","ri":"1.366316667","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB14697","other_id_type":"MAYO_ID"},{"Metabolite":"Kuwanon Z","moverz_quant":"629.1209025","ri":"1.1008","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB33297","other_id_type":"MAYO_ID"},{"Metabolite":"Levamisole","moverz_quant":"203.0648751","ri":"1.158883333","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB14986","other_id_type":"MAYO_ID"},{"Metabolite":"Megalomicin B","moverz_quant":"953.5372987","ri":"15.86253333","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"74380507","other_id_type":"MAYO_ID"},{"Metabolite":"Methylarsonite","moverz_quant":"144.9247767","ri":"3.66465","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB12259","other_id_type":"MAYO_ID"},{"Metabolite":"Methylpyrazine","moverz_quant":"93.04574935","ri":"1.739683333","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB33112","other_id_type":"MAYO_ID"},{"Metabolite":"N-Decanoylglycine","moverz_quant":"230.1750977","ri":"1.376433333","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB13267","other_id_type":"MAYO_ID"},{"Metabolite":"N-Glycoloylganglioside GM2","moverz_quant":"778.5968936","ri":"6.095683333","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB00770","other_id_type":"MAYO_ID"},{"Metabolite":"N-Methylcalystegine B2","moverz_quant":"210.0756116","ri":"1.150583333","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB36604","other_id_type":"MAYO_ID"},{"Metabolite":"N-Nitrosothialdine","moverz_quant":"173.0212289","ri":"2.776866667","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB31186","other_id_type":"MAYO_ID"},{"Metabolite":"N-Nonanoylglycine","moverz_quant":"214.1445967","ri":"1.4078","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB13279","other_id_type":"MAYO_ID"},{"Metabolite":"N-Undecanoylglycine","moverz_quant":"242.176019","ri":"1.53225","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB13286","other_id_type":"MAYO_ID"},{"Metabolite":"N-Undecylbenzenesulfonic acid","moverz_quant":"311.1678292","ri":"0.98465","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB32549","other_id_type":"MAYO_ID"},{"Metabolite":"Octafluorocyclobutane","moverz_quant":"180.9700161","ri":"12.50101667","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB31292","other_id_type":"MAYO_ID"},{"Metabolite":"Pantothenic acid","moverz_quant":"218.1034301","ri":"2.478166667","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB00210","other_id_type":"MAYO_ID"},{"Metabolite":"PA(P-20:0/21:0)","moverz_quant":"779.5904126","ri":"6.162066667","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"123067316","other_id_type":"MAYO_ID"},{"Metabolite":"Peonidin","moverz_quant":"357.0130761","ri":"1.1008","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB05797","other_id_type":"MAYO_ID"},{"Metabolite":"PG(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","moverz_quant":"871.5585259","ri":"5.564683333","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"123064904","other_id_type":"MAYO_ID"},{"Metabolite":"Pimozide","moverz_quant":"482.2025697","ri":"0.901666667","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB15232","other_id_type":"MAYO_ID"},{"Metabolite":"PS(20:3(8Z,11Z,14Z)/0:0)","moverz_quant":"528.2724244","ri":"11.33235","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"123063849","other_id_type":"MAYO_ID"},{"Metabolite":"PS(P-20:0/17:2(9Z,12Z))","moverz_quant":"766.5377656","ri":"4.6603","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"123063807","other_id_type":"MAYO_ID"},{"Metabolite":"Pyrazinamide","moverz_quant":"158.0126289","ri":"2.0882","ri_type":"Mayo_RI","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"HMDB14483","other_id_type":"MAYO_ID"},{"Metabolite":"S-(2,5-Dimethyl-3-furanyl) 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}

}