{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002107","ANALYSIS_ID":"AN003446","VERSION":"1","CREATED_ON":"March 18, 2022, 8:01 am"},

"PROJECT":{"PROJECT_TITLE":"Genetic and chemical validation of Plasmodium falciparum aminopeptidase PfA-M17 as a drug target in the hemoglobin digestion pathway","PROJECT_SUMMARY":"Plasmodium falciparum, the causative agent of malaria, continues to remain a global health threat since these parasites are now resistant to all anti-malaria drugs used throughout the world. Accordingly, drugs with novel modes of action are desperately required to combat malaria. P. falciparum parasites infect human red blood cells where they digest the hosts main protein constituent, hemoglobin. Leucine aminopeptidase PfA-M17 is one of several aminopeptidases that have been implicated in the last step of this digestive pathway. Here we utilize both reverse genetics and a compound specifically designed to inhibit the activity of PfA-M17 to show that PfA-M17 is essential for P. falciparum survival as it provides parasites with free amino acids for growth, many of which are highly likely to originate from hemoglobin. We further show that our inhibitor is on-target for PfA-M17 and has the ability to kill parasites at nanomolar concentrations. Thus, in contrast to other hemoglobin-degrading proteases that have overlapping redundant functions, we validate PfA-M17 as a potential novel drug target.","INSTITUTE":"Monash University","LAST_NAME":"Siddiqui","FIRST_NAME":"Ghizal","ADDRESS":"381 Royal Parade, Parkville, Melbourne, Victoria, 3052, Australia","EMAIL":"ghizal.siddiqui@monash.edu","PHONE":"99039282"},

"STUDY":{"STUDY_TITLE":"Genetic and chemical validation of Plasmodium falciparum aminopeptidase PfA-M17 as a drug target in the hemoglobin digestion pathway (Part 2)","STUDY_SUMMARY":"Plasmodium falciparum, the causative agent of malaria, continues to remain a global health threat since these parasites are now resistant to all anti-malaria drugs used throughout the world. Accordingly, drugs with novel modes of action are desperately required to combat malaria. P. falciparum parasites infect human red blood cells where they digest the hosts main protein constituent, hemoglobin. Leucine aminopeptidase PfA-M17 is one of several aminopeptidases that have been implicated in the last step of this digestive pathway. Here we utilize both reverse genetics and a compound specifically designed to inhibit the activity of PfA-M17 to show that PfA-M17 is essential for P. falciparum survival as it provides parasites with free amino acids for growth, many of which are highly likely to originate from hemoglobin. We further show that our inhibitor is on-target for PfA-M17 and has the ability to kill parasites at nanomolar concentrations. Thus, in contrast to other hemoglobin-degrading proteases that have overlapping redundant functions, we validate PfA-M17 as a potential novel drug target.","INSTITUTE":"Monash University","LAST_NAME":"Siddiqui","FIRST_NAME":"Ghizal","ADDRESS":"381 Royal Parade, Parkville, Melbourne, Victoria, 3052, Australia","EMAIL":"ghizal.siddiqui@monash.edu","PHONE":"99039282"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Plasmodium falciparum","TAXONOMY_ID":"5833"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"3D7_glu_neg_1",
"Factors":{"cell_type":"iRBC","treatment":"DMSO"},
"Additional sample data":{"RAW_FILE_NAME":"3D7_glu_neg_1"}
},
{
"Subject ID":"-",
"Sample ID":"3D7_glu_neg_2",
"Factors":{"cell_type":"iRBC","treatment":"DMSO"},
"Additional sample data":{"RAW_FILE_NAME":"3D7_glu_neg_2"}
},
{
"Subject ID":"-",
"Sample ID":"3D7_glu_neg_3",
"Factors":{"cell_type":"iRBC","treatment":"DMSO"},
"Additional sample data":{"RAW_FILE_NAME":"3D7_glu_neg_3"}
},
{
"Subject ID":"-",
"Sample ID":"3D7_glu_pos_1",
"Factors":{"cell_type":"iRBC","treatment":"Glucosamine"},
"Additional sample data":{"RAW_FILE_NAME":"3D7_glu_pos_1"}
},
{
"Subject ID":"-",
"Sample ID":"3D7_glu_pos_2",
"Factors":{"cell_type":"iRBC","treatment":"Glucosamine"},
"Additional sample data":{"RAW_FILE_NAME":"3D7_glu_pos_2"}
},
{
"Subject ID":"-",
"Sample ID":"3D7_glu_pos_3",
"Factors":{"cell_type":"iRBC","treatment":"Glucosamine"},
"Additional sample data":{"RAW_FILE_NAME":"3D7_glu_pos_3"}
},
{
"Subject ID":"-",
"Sample ID":"M17_glu_neg_1",
"Factors":{"cell_type":"iRBC","treatment":"PfAM17-HAglmS"},
"Additional sample data":{"RAW_FILE_NAME":"M17_glu_neg_1"}
},
{
"Subject ID":"-",
"Sample ID":"M17_glu_neg_2",
"Factors":{"cell_type":"iRBC","treatment":"PfAM17-HAglmS"},
"Additional sample data":{"RAW_FILE_NAME":"M17_glu_neg_2"}
},
{
"Subject ID":"-",
"Sample ID":"M17_glu_neg_3",
"Factors":{"cell_type":"iRBC","treatment":"PfAM17-HAglmS"},
"Additional sample data":{"RAW_FILE_NAME":"M17_glu_neg_3"}
},
{
"Subject ID":"-",
"Sample ID":"M17_glu_pos_1",
"Factors":{"cell_type":"iRBC","treatment":"PfAM17-HAglmS +Glucosamine"},
"Additional sample data":{"RAW_FILE_NAME":"M17_glu_pos_1"}
},
{
"Subject ID":"-",
"Sample ID":"M17_glu_pos_2",
"Factors":{"cell_type":"iRBC","treatment":"PfAM17-HAglmS +Glucosamine"},
"Additional sample data":{"RAW_FILE_NAME":"M17_glu_pos_2"}
},
{
"Subject ID":"-",
"Sample ID":"M17_glu_pos_3",
"Factors":{"cell_type":"iRBC","treatment":"PfAM17-HAglmS +Glucosamine"},
"Additional sample data":{"RAW_FILE_NAME":"M17_glu_pos_3"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Heparin synchronized Pf3D7 and PfM17-HAglmS parasites were allowed to invade RBC for 4 h and any remaining schizonts were lysed by sorbitol synchronization and parasite cultures were only treated with GlcN. Parasites were harvested at developmentally similar timepoints by centrifugation at 900 g for 5 min and then resuspended in 10 mL of chilled PBS. Parasite metabolism was quenched by cooling samples to between 3-5°C in an ethanol-dry ice bath. The rest of the preparation was performed at 4°C. Parasites were magnet purified on a VarioMACS column and 3x107 parasites were used for downstream analysis. All samples were centrifuged at 650 g for 3 min, the supernatant was removed, and the pellet washed in 500 µL of ice-cold PBS. Samples were again centrifuged at 650 g for 3 min and pellets were resuspended in 150 µL of ice-cold extraction buffer (100% methanol) and quickly resuspended. The samples were then incubated on a vortex mixer for 1 h at 4°C before being centrifuged at 17,000 g for 10 min; from this 100 µL of supernatant was collected and stored at -80°C until analysis. For each sample, another 10 µL was collected and pooled, to serve as a quality control (QC) sample.","SAMPLE_TYPE":"Blood (whole)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Heparin synchronized Pf3D7 and PfM17-HAglmS parasites were allowed to invade RBC for 4 h and any remaining schizonts were lysed by sorbitol synchronization and parasite cultures were only treated with GlcN. Parasites were harvested at developmentally similar timepoints by centrifugation at 900 g for 5 min and then resuspended in 10 mL of chilled PBS. Parasite metabolism was quenched by cooling samples to between 3-5°C in an ethanol-dry ice bath. The rest of the preparation was performed at 4°C. Parasites were magnet purified on a VarioMACS column and 3x107 parasites were used for downstream analysis. All samples were centrifuged at 650 g for 3 min, the supernatant was removed, and the pellet washed in 500 µL of ice-cold PBS. Samples were again centrifuged at 650 g for 3 min and pellets were resuspended in 150 µL of ice-cold extraction buffer (100% methanol) and quickly resuspended. The samples were then incubated on a vortex mixer for 1 h at 4°C before being centrifuged at 17,000 g for 10 min; from this 100 µL of supernatant was collected and stored at -80°C until analysis. For each sample, another 10 µL was collected and pooled, to serve as a quality control (QC) sample."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Heparin synchronized Pf3D7 and PfM17-HAglmS parasites were allowed to invade RBC for 4 h and any remaining schizonts were lysed by sorbitol synchronization and parasite cultures were only treated with GlcN. Parasites were harvested at developmentally similar timepoints by centrifugation at 900 g for 5 min and then resuspended in 10 mL of chilled PBS. Parasite metabolism was quenched by cooling samples to between 3-5°C in an ethanol-dry ice bath. The rest of the preparation was performed at 4°C. Parasites were magnet purified on a VarioMACS column and 3x107 parasites were used for downstream analysis. All samples were centrifuged at 650 g for 3 min, the supernatant was removed, and the pellet washed in 500 µL of ice-cold PBS. Samples were again centrifuged at 650 g for 3 min and pellets were resuspended in 150 µL of ice-cold extraction buffer (100% methanol) and quickly resuspended. The samples were then incubated on a vortex mixer for 1 h at 4°C before being centrifuged at 17,000 g for 10 min; from this 100 µL of supernatant was collected and stored at -80°C until analysis. For each sample, another 10 µL was collected and pooled, to serve as a quality control (QC) sample."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000 RS","COLUMN_NAME":"ZIC-pHILIC column equipped with a guard (5 μm, 4.6 × 150 mm, SeQuant®, Merck)"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Metabolite detection was performed using a high-resolution Q Exactive MS (ThermoFisher) in both positive and negative ionisation modes. The PBQC sample was run periodically throughout each LC-MS batch to monitor signal reproducibility and support downstream metabolite identification. Extraction solvent blank samples were also analysed to identify possible contaminating chemical species. To aid in metabolite identification, approximately 250 authentic metabolite standards were analysed prior to each LC-MS batch and their peaks and retention time manually checked using the ToxID software (ThermoFisher). Metabolomics data were analysed using the IDEOM workflow (Creek et al. 2012). Briefly, the IDEOM processing pipeline uses msconvert for conversion of raw files to mzXML files and split polarity, XCMS to extract raw peak intensities and mzMatch to align samples, filter noise, fill missing peaks and annotate related peaks. Manual assessment of spiked internal standards, total ion chromatograms and median peak heights ensured signal reproducibility and allowed exclusion of outlier samples. LC MS peak heights representing metabolite abundances were normalised by median peak height. High confidence metabolite identification (MSI level 1) was made by matching accurate mass and retention time to authentic metabolite standards. Putative identifications (MSI level 2) for metabolites lacking standards were based on exact mass and predicted retention times."},

"MS_METABOLITE_DATA":{
"Units":"relative intensity",

"Data":[{"Metabolite":"(1,3-diphenylpropoxy)sulfonic acid","3D7_glu_neg_1":"248114","3D7_glu_neg_2":"332657.8438","3D7_glu_neg_3":"293147.0313","3D7_glu_pos_1":"395852.9688","3D7_glu_pos_2":"353179.7813","3D7_glu_pos_3":"403915","M17_glu_neg_1":"321928.0313","M17_glu_neg_2":"258876.9219","M17_glu_neg_3":"278734.7188","M17_glu_pos_1":"295722.75","M17_glu_pos_2":"298051.8125","M17_glu_pos_3":"272356.8125"},{"Metabolite":"(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate","3D7_glu_neg_1":"375859.6563","3D7_glu_neg_2":"809918.25","3D7_glu_neg_3":"940705.1875","3D7_glu_pos_1":"778226.25","3D7_glu_pos_2":"1337542","3D7_glu_pos_3":"466314.4063","M17_glu_neg_1":"821648.25","M17_glu_neg_2":"1023290.375","M17_glu_neg_3":"751226.0625","M17_glu_pos_1":"482328.9375","M17_glu_pos_2":"517663.4688","M17_glu_pos_3":"527959.8125"},{"Metabolite":"(8-hydroxydecyl)-(hydroxymethyl)-piperidin-ol","3D7_glu_neg_1":"2054614.125","3D7_glu_neg_2":"2158988.25","3D7_glu_neg_3":"2622168.5","3D7_glu_pos_1":"3412155","3D7_glu_pos_2":"1940307.75","3D7_glu_pos_3":"2123747.75","M17_glu_neg_1":"1908209.25","M17_glu_neg_2":"2945147.5","M17_glu_neg_3":"3128483.5","M17_glu_pos_1":"2723476.75","M17_glu_pos_2":"2313181.75","M17_glu_pos_3":"2348780"},{"Metabolite":"(R) 2,3-Dihydroxy-3-methylvalerate","3D7_glu_neg_1":"540832.625","3D7_glu_neg_2":"961714.625","3D7_glu_neg_3":"0","3D7_glu_pos_1":"577174.4375","3D7_glu_pos_2":"723733.5625","3D7_glu_pos_3":"238000.3906","M17_glu_neg_1":"623583.625","M17_glu_neg_2":"0","M17_glu_neg_3":"1286344.25","M17_glu_pos_1":"670040.875","M17_glu_pos_2":"677555","M17_glu_pos_3":"1528322.875"},{"Metabolite":"1-(hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol","3D7_glu_neg_1":"1846366.625","3D7_glu_neg_2":"2625883.75","3D7_glu_neg_3":"2773562","3D7_glu_pos_1":"2409061.5","3D7_glu_pos_2":"2954566","3D7_glu_pos_3":"945388.25","M17_glu_neg_1":"2404877.25","M17_glu_neg_2":"2566509.25","M17_glu_neg_3":"2343619.25","M17_glu_pos_1":"2286720.75","M17_glu_pos_2":"2839937","M17_glu_pos_3":"2665977.5"},{"Metabolite":"1,2-dihydroxyethylphosphonate","3D7_glu_neg_1":"604600.125","3D7_glu_neg_2":"724188.625","3D7_glu_neg_3":"711492.5625","3D7_glu_pos_1":"458853.9688","3D7_glu_pos_2":"603107.25","3D7_glu_pos_3":"789906.375","M17_glu_neg_1":"863855.9375","M17_glu_neg_2":"925475.0625","M17_glu_neg_3":"1071682.5","M17_glu_pos_1":"704549.0625","M17_glu_pos_2":"840638.5625","M17_glu_pos_3":"741323.375"},{"Metabolite":"15(R)-hydroperoxy-EPE","3D7_glu_neg_1":"74900000","3D7_glu_neg_2":"286000000","3D7_glu_neg_3":"228000000","3D7_glu_pos_1":"244000000","3D7_glu_pos_2":"414000000","3D7_glu_pos_3":"288000000","M17_glu_neg_1":"149000000","M17_glu_neg_2":"224000000","M17_glu_neg_3":"166000000","M17_glu_pos_1":"309000000","M17_glu_pos_2":"450000000","M17_glu_pos_3":"350000000"},{"Metabolite":"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate","3D7_glu_neg_1":"143000000","3D7_glu_neg_2":"126000000","3D7_glu_neg_3":"133000000","3D7_glu_pos_1":"142000000","3D7_glu_pos_2":"85800000","3D7_glu_pos_3":"138000000","M17_glu_neg_1":"139000000","M17_glu_neg_2":"124000000","M17_glu_neg_3":"152000000","M17_glu_pos_1":"141000000","M17_glu_pos_2":"155000000","M17_glu_pos_3":"123000000"},{"Metabolite":"1-Deoxy-D-glucitol","3D7_glu_neg_1":"740222.4375","3D7_glu_neg_2":"653153.375","3D7_glu_neg_3":"1473262.625","3D7_glu_pos_1":"1119910.5","3D7_glu_pos_2":"634952","3D7_glu_pos_3":"927176.1875","M17_glu_neg_1":"857548.3125","M17_glu_neg_2":"655050.1875","M17_glu_neg_3":"1083240.875","M17_glu_pos_1":"1066770","M17_glu_pos_2":"1274850.625","M17_glu_pos_3":"1107043"},{"Metabolite":"1-Methylhistidine","3D7_glu_neg_1":"122972.4297","3D7_glu_neg_2":"294273.5625","3D7_glu_neg_3":"309360.8125","3D7_glu_pos_1":"244941.6563","3D7_glu_pos_2":"257218.1094","3D7_glu_pos_3":"127402.1172","M17_glu_neg_1":"209297.6719","M17_glu_neg_2":"242319.2188","M17_glu_neg_3":"177600.4688","M17_glu_pos_1":"158194.4375","M17_glu_pos_2":"179347.4688","M17_glu_pos_3":"178328.6719"},{"Metabolite":"2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione","3D7_glu_neg_1":"517802.25","3D7_glu_neg_2":"275610.5","3D7_glu_neg_3":"217232.3438","3D7_glu_pos_1":"566671.5625","3D7_glu_pos_2":"323771.5313","3D7_glu_pos_3":"193152.3438","M17_glu_neg_1":"619921.875","M17_glu_neg_2":"237870.0469","M17_glu_neg_3":"905154.875","M17_glu_pos_1":"569597.75","M17_glu_pos_2":"348384.375","M17_glu_pos_3":"291659.9063"},{"Metabolite":"2,3-diacetamido-2,3-dideoxy--D-mannuronate","3D7_glu_neg_1":"677618.5","3D7_glu_neg_2":"1073024.125","3D7_glu_neg_3":"1226394.875","3D7_glu_pos_1":"633189.875","3D7_glu_pos_2":"1517236.875","3D7_glu_pos_3":"0","M17_glu_neg_1":"1092384.125","M17_glu_neg_2":"1677546.5","M17_glu_neg_3":"1053047.625","M17_glu_pos_1":"6627616","M17_glu_pos_2":"7886613","M17_glu_pos_3":"7755630.5"},{"Metabolite":"2,4-pentadienoic acid","3D7_glu_neg_1":"339163.3438","3D7_glu_neg_2":"453436.4688","3D7_glu_neg_3":"62506.42188","3D7_glu_pos_1":"329198.2813","3D7_glu_pos_2":"410806.9375","3D7_glu_pos_3":"253853.7813","M17_glu_neg_1":"359725.9063","M17_glu_neg_2":"0","M17_glu_neg_3":"570606.8125","M17_glu_pos_1":"304604.5938","M17_glu_pos_2":"365175.125","M17_glu_pos_3":"871772.25"},{"Metabolite":"2-[4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy]acetaldehyde","3D7_glu_neg_1":"0","3D7_glu_neg_2":"39920.38672","3D7_glu_neg_3":"28442.64063","3D7_glu_pos_1":"25126.41016","3D7_glu_pos_2":"54284.80469","3D7_glu_pos_3":"0","M17_glu_neg_1":"46000.19531","M17_glu_neg_2":"25394.90625","M17_glu_neg_3":"0","M17_glu_pos_1":"216966.6875","M17_glu_pos_2":"224051.4063","M17_glu_pos_3":"210840.2344"},{"Metabolite":"2-{[1-(R)-Carboxyethyl]amino}pentanoate","3D7_glu_neg_1":"370827.6875","3D7_glu_neg_2":"341804.8438","3D7_glu_neg_3":"334777.2813","3D7_glu_pos_1":"373056.1875","3D7_glu_pos_2":"355293.9063","3D7_glu_pos_3":"314111.7188","M17_glu_neg_1":"403742.1563","M17_glu_neg_2":"370910.3438","M17_glu_neg_3":"351288.75","M17_glu_pos_1":"440526.2813","M17_glu_pos_2":"356009.8438","M17_glu_pos_3":"331267.6875"},{"Metabolite":"2-{4-[-1,2-diphenylbut-1-en-1-yl]phenoxy}acetic acid","3D7_glu_neg_1":"149393.1406","3D7_glu_neg_2":"239378.1719","3D7_glu_neg_3":"263684.375","3D7_glu_pos_1":"182630.7813","3D7_glu_pos_2":"212848.3125","3D7_glu_pos_3":"0","M17_glu_neg_1":"233144.7188","M17_glu_neg_2":"243963.875","M17_glu_neg_3":"192221.1875","M17_glu_pos_1":"161288.3281","M17_glu_pos_2":"212811.9688","M17_glu_pos_3":"158454.7813"},{"Metabolite":"20-hydroxy-fusarin","3D7_glu_neg_1":"795000000","3D7_glu_neg_2":"707000000","3D7_glu_neg_3":"672000000","3D7_glu_pos_1":"748000000","3D7_glu_pos_2":"659000000","3D7_glu_pos_3":"727000000","M17_glu_neg_1":"769000000","M17_glu_neg_2":"727000000","M17_glu_neg_3":"774000000","M17_glu_pos_1":"772000000","M17_glu_pos_2":"778000000","M17_glu_pos_3":"695000000"},{"Metabolite":"2-acetyl-1-alkyl-sn-glycero-3-phosphocholine","3D7_glu_neg_1":"3223104.25","3D7_glu_neg_2":"5603542","3D7_glu_neg_3":"5857594","3D7_glu_pos_1":"4465811.5","3D7_glu_pos_2":"7065332","3D7_glu_pos_3":"3401999","M17_glu_neg_1":"2713323.25","M17_glu_neg_2":"2446325.75","M17_glu_neg_3":"2181868","M17_glu_pos_1":"2345453","M17_glu_pos_2":"2706968.75","M17_glu_pos_3":"1979006.5"},{"Metabolite":"2-Amino-2-deoxy-D-gluconate","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"7242768.5","3D7_glu_pos_2":"8006911","3D7_glu_pos_3":"8940577","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"6124752","M17_glu_pos_2":"7262898","M17_glu_pos_3":"5554550.5"},{"Metabolite":"2-amino-2-deoxy-D-mannitol","3D7_glu_neg_1":"665783.3125","3D7_glu_neg_2":"1545906.625","3D7_glu_neg_3":"92261.5625","3D7_glu_pos_1":"838744.0625","3D7_glu_pos_2":"939967.6875","3D7_glu_pos_3":"387022.9063","M17_glu_neg_1":"925395.625","M17_glu_neg_2":"0","M17_glu_neg_3":"1720511.625","M17_glu_pos_1":"675862.4375","M17_glu_pos_2":"766766.1875","M17_glu_pos_3":"2000518.875"},{"Metabolite":"2-Aminoheptanoate","3D7_glu_neg_1":"361648.6875","3D7_glu_neg_2":"697177.875","3D7_glu_neg_3":"559243.1875","3D7_glu_pos_1":"1209481.125","3D7_glu_pos_2":"1428873.5","3D7_glu_pos_3":"2418177","M17_glu_neg_1":"1608647.75","M17_glu_neg_2":"975932.25","M17_glu_neg_3":"921111.875","M17_glu_pos_1":"1114597.125","M17_glu_pos_2":"1298500.625","M17_glu_pos_3":"1055746.125"},{"Metabolite":"2'-deamino-2'-hydroxy-6'-dehydroparomamine","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"215505.6094","3D7_glu_pos_2":"183124.1719","3D7_glu_pos_3":"59718.52344","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"295539.0938","M17_glu_pos_2":"392525.2813","M17_glu_pos_3":"311376.125"},{"Metabolite":"2-Hydroxyadenine","3D7_glu_neg_1":"135625.0938","3D7_glu_neg_2":"175259.2656","3D7_glu_neg_3":"149084.7031","3D7_glu_pos_1":"130603.7891","3D7_glu_pos_2":"146365.4531","3D7_glu_pos_3":"21711.67578","M17_glu_neg_1":"131066.4531","M17_glu_neg_2":"116075.7266","M17_glu_neg_3":"135597.9688","M17_glu_pos_1":"71807.64844","M17_glu_pos_2":"101281.9844","M17_glu_pos_3":"62809.38672"},{"Metabolite":"2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside]","3D7_glu_neg_1":"121260.9531","3D7_glu_neg_2":"238902.7656","3D7_glu_neg_3":"212066.375","3D7_glu_pos_1":"140853.4219","3D7_glu_pos_2":"214898.1875","3D7_glu_pos_3":"0","M17_glu_neg_1":"166970.3594","M17_glu_neg_2":"135997.9375","M17_glu_neg_3":"112050.1563","M17_glu_pos_1":"184657.2344","M17_glu_pos_2":"228755.3125","M17_glu_pos_3":"252508.3438"},{"Metabolite":"2-Hydroxy-desipramine glucuronide","3D7_glu_neg_1":"0","3D7_glu_neg_2":"302522.375","3D7_glu_neg_3":"294979.7188","3D7_glu_pos_1":"86907.20313","3D7_glu_pos_2":"360790.9375","3D7_glu_pos_3":"0","M17_glu_neg_1":"224906","M17_glu_neg_2":"353112.5625","M17_glu_neg_3":"217501.5938","M17_glu_pos_1":"986522.1875","M17_glu_pos_2":"1447623.625","M17_glu_pos_3":"1082525.875"},{"Metabolite":"2-Oxoarginine","3D7_glu_neg_1":"158690.3438","3D7_glu_neg_2":"305622.2188","3D7_glu_neg_3":"382900.8125","3D7_glu_pos_1":"284511.875","3D7_glu_pos_2":"273117","3D7_glu_pos_3":"74227.19531","M17_glu_neg_1":"256342.0938","M17_glu_neg_2":"245504.9688","M17_glu_neg_3":"249494.1875","M17_glu_pos_1":"241121.0313","M17_glu_pos_2":"313445.25","M17_glu_pos_3":"231674.25"},{"Metabolite":"2-Phenylethyl beta-D-glucopyranoside","3D7_glu_neg_1":"27000000","3D7_glu_neg_2":"58500000","3D7_glu_neg_3":"2337428.5","3D7_glu_pos_1":"45500000","3D7_glu_pos_2":"54500000","3D7_glu_pos_3":"18100000","M17_glu_neg_1":"38400000","M17_glu_neg_2":"994638.375","M17_glu_neg_3":"57700000","M17_glu_pos_1":"22200000","M17_glu_pos_2":"24000000","M17_glu_pos_3":"60200000"},{"Metabolite":"3,4,2',3',4'-Pentahydroxy-4-methoxychalcone 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)","3D7_glu_neg_1":"1390645.875","3D7_glu_neg_2":"1730977.125","3D7_glu_neg_3":"1422563.5","3D7_glu_pos_1":"1366320.5","3D7_glu_pos_2":"2312094.75","3D7_glu_pos_3":"1400938","M17_glu_neg_1":"1402982.375","M17_glu_neg_2":"1745779.625","M17_glu_neg_3":"1347038.375","M17_glu_pos_1":"1301306.125","M17_glu_pos_2":"638491.875","M17_glu_pos_3":"1342661"},{"Metabolite":"3',4',5'-Trimethoxycinnamyl alcohol acetate","3D7_glu_neg_1":"14200000","3D7_glu_neg_2":"18400000","3D7_glu_neg_3":"11600000","3D7_glu_pos_1":"17400000","3D7_glu_pos_2":"15100000","3D7_glu_pos_3":"13000000","M17_glu_neg_1":"17400000","M17_glu_neg_2":"10100000","M17_glu_neg_3":"21400000","M17_glu_pos_1":"13300000","M17_glu_pos_2":"15400000","M17_glu_pos_3":"20800000"},{"Metabolite":"3,5-dibromocatechol","3D7_glu_neg_1":"151214.2188","3D7_glu_neg_2":"169851.4063","3D7_glu_neg_3":"151135.3594","3D7_glu_pos_1":"171507.6875","3D7_glu_pos_2":"193178","3D7_glu_pos_3":"179602.2969","M17_glu_neg_1":"158805.8438","M17_glu_neg_2":"174306.3281","M17_glu_neg_3":"151230.5313","M17_glu_pos_1":"145251.0781","M17_glu_pos_2":"163238.7031","M17_glu_pos_3":"161418.7031"},{"Metabolite":"3-[4-amino-3-hydroxybutyl]-hydroxy-carbamoyl-propanoate","3D7_glu_neg_1":"457270.5625","3D7_glu_neg_2":"830999.5625","3D7_glu_neg_3":"1300341.375","3D7_glu_pos_1":"486989.625","3D7_glu_pos_2":"698651.875","3D7_glu_pos_3":"0","M17_glu_neg_1":"1018281","M17_glu_neg_2":"1588990.25","M17_glu_neg_3":"1178781.625","M17_glu_pos_1":"3810711.5","M17_glu_pos_2":"4473007.5","M17_glu_pos_3":"3766210.75"},{"Metabolite":"3-Butynoate","3D7_glu_neg_1":"314215.25","3D7_glu_neg_2":"782485.875","3D7_glu_neg_3":"0","3D7_glu_pos_1":"442613.875","3D7_glu_pos_2":"824196.5","3D7_glu_pos_3":"325414.375","M17_glu_neg_1":"576007.75","M17_glu_neg_2":"0","M17_glu_neg_3":"1363968.75","M17_glu_pos_1":"451582.0625","M17_glu_pos_2":"314440.5938","M17_glu_pos_3":"747630.125"},{"Metabolite":"3-deoxy-D-galactose","3D7_glu_neg_1":"1915700.875","3D7_glu_neg_2":"3930415.75","3D7_glu_neg_3":"363900.5313","3D7_glu_pos_1":"2588735","3D7_glu_pos_2":"2952560.25","3D7_glu_pos_3":"1572920.25","M17_glu_neg_1":"2932045","M17_glu_neg_2":"35489.51172","M17_glu_neg_3":"4218377","M17_glu_pos_1":"1963269.375","M17_glu_pos_2":"2360993.75","M17_glu_pos_3":"4471419.5"},{"Metabolite":"3-Epihydroxy-2'-deoxymugineic acid","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"853894.4375","3D7_glu_pos_2":"878309","3D7_glu_pos_3":"2073682.5","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"613614","M17_glu_pos_2":"492088.875","M17_glu_pos_3":"456236.5313"},{"Metabolite":"3-Ethylmalate","3D7_glu_neg_1":"89793.32031","3D7_glu_neg_2":"112497.0938","3D7_glu_neg_3":"94818.04688","3D7_glu_pos_1":"199511.0469","3D7_glu_pos_2":"180388.5781","3D7_glu_pos_3":"439251.375","M17_glu_neg_1":"204520.0313","M17_glu_neg_2":"122451.0625","M17_glu_neg_3":"133811.0781","M17_glu_pos_1":"247105.4219","M17_glu_pos_2":"286337.1563","M17_glu_pos_3":"168229.4375"},{"Metabolite":"3-Isopropenyl-6-oxoheptanoate","3D7_glu_neg_1":"592987.4375","3D7_glu_neg_2":"627313.125","3D7_glu_neg_3":"607752","3D7_glu_pos_1":"507125","3D7_glu_pos_2":"594993.6875","3D7_glu_pos_3":"507264.6875","M17_glu_neg_1":"644038.6875","M17_glu_neg_2":"514798.0938","M17_glu_neg_3":"749620.375","M17_glu_pos_1":"605329.5625","M17_glu_pos_2":"608482.0625","M17_glu_pos_3":"509114.5938"},{"Metabolite":"3-Methyl-2-oxovaleric acid","3D7_glu_neg_1":"110991.8984","3D7_glu_neg_2":"260680.5938","3D7_glu_neg_3":"0","3D7_glu_pos_1":"118723.1484","3D7_glu_pos_2":"175840.5938","3D7_glu_pos_3":"85302.70313","M17_glu_neg_1":"184001.9375","M17_glu_neg_2":"0","M17_glu_neg_3":"391026.6875","M17_glu_pos_1":"94601.03125","M17_glu_pos_2":"151232.2813","M17_glu_pos_3":"488073.4688"},{"Metabolite":"3-Methylcrotonylglycine","3D7_glu_neg_1":"153029.1719","3D7_glu_neg_2":"290549.5313","3D7_glu_neg_3":"248822.8906","3D7_glu_pos_1":"259062.6094","3D7_glu_pos_2":"270319.5625","3D7_glu_pos_3":"157984.75","M17_glu_neg_1":"232183.25","M17_glu_neg_2":"215180.4219","M17_glu_neg_3":"194099.1719","M17_glu_pos_1":"206180.4688","M17_glu_pos_2":"266474.7188","M17_glu_pos_3":"208168.0781"},{"Metabolite":"3-nitro-2-pentanol","3D7_glu_neg_1":"336050.2188","3D7_glu_neg_2":"404803.3438","3D7_glu_neg_3":"324905.2188","3D7_glu_pos_1":"922674.4375","3D7_glu_pos_2":"515298.5938","3D7_glu_pos_3":"389365.5","M17_glu_neg_1":"462656.1563","M17_glu_neg_2":"325643.3438","M17_glu_neg_3":"717197.5625","M17_glu_pos_1":"645586.6875","M17_glu_pos_2":"406476.2188","M17_glu_pos_3":"501211.875"},{"Metabolite":"4-Acetamidobutanoic acid","3D7_glu_neg_1":"103744.6641","3D7_glu_neg_2":"157026.7188","3D7_glu_neg_3":"113308.4219","3D7_glu_pos_1":"153752.9531","3D7_glu_pos_2":"218903.3281","3D7_glu_pos_3":"265550.6875","M17_glu_neg_1":"207973.4688","M17_glu_neg_2":"157499.7031","M17_glu_neg_3":"142716.5156","M17_glu_pos_1":"208203.0625","M17_glu_pos_2":"212132.4375","M17_glu_pos_3":"127977.7969"},{"Metabolite":"4-Hydroxy-2-butynal","3D7_glu_neg_1":"160871.7969","3D7_glu_neg_2":"280418.3125","3D7_glu_neg_3":"0","3D7_glu_pos_1":"111456.4375","3D7_glu_pos_2":"176622.25","3D7_glu_pos_3":"135038.6406","M17_glu_neg_1":"201142.1094","M17_glu_neg_2":"0","M17_glu_neg_3":"270551.4375","M17_glu_pos_1":"237860.1563","M17_glu_pos_2":"225404.4375","M17_glu_pos_3":"409807.0625"},{"Metabolite":"4-O--D-glucosyl-indol-3-yl formamide","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"214677.6719","M17_glu_pos_2":"236410.0156","M17_glu_pos_3":"228728.0625"},{"Metabolite":"4S,5R)-2-amino-4,5,6-trihydroxyhex-2-enoate","3D7_glu_neg_1":"70319.09375","3D7_glu_neg_2":"239330.0313","3D7_glu_neg_3":"138038.0625","3D7_glu_pos_1":"151222.2656","3D7_glu_pos_2":"325117.875","3D7_glu_pos_3":"233921.3281","M17_glu_neg_1":"103437.2969","M17_glu_neg_2":"105480.5938","M17_glu_neg_3":"97993.82031","M17_glu_pos_1":"54519.08203","M17_glu_pos_2":"62009.86328","M17_glu_pos_3":"77144.52344"},{"Metabolite":"5,6-Dihydrouridine","3D7_glu_neg_1":"54862.52344","3D7_glu_neg_2":"138385.8438","3D7_glu_neg_3":"170340.4375","3D7_glu_pos_1":"210003.3594","3D7_glu_pos_2":"222482.5781","3D7_glu_pos_3":"77872.35156","M17_glu_neg_1":"288741.4688","M17_glu_neg_2":"322721.5625","M17_glu_neg_3":"346502.9688","M17_glu_pos_1":"2192541.5","M17_glu_pos_2":"2637971.75","M17_glu_pos_3":"2329283.75"},{"Metabolite":"5-Acetamidovalerate","3D7_glu_neg_1":"106327.6641","3D7_glu_neg_2":"205856.5625","3D7_glu_neg_3":"161516.6563","3D7_glu_pos_1":"250474.375","3D7_glu_pos_2":"322027.1563","3D7_glu_pos_3":"453596.0938","M17_glu_neg_1":"282417.4063","M17_glu_neg_2":"218233.9844","M17_glu_neg_3":"238240.4063","M17_glu_pos_1":"231246.6406","M17_glu_pos_2":"285538.5313","M17_glu_pos_3":"234348.5938"},{"Metabolite":"5-Aminopentanoic acid","3D7_glu_neg_1":"2566042.25","3D7_glu_neg_2":"3505751.5","3D7_glu_neg_3":"3200567.75","3D7_glu_pos_1":"6423810.5","3D7_glu_pos_2":"7075858","3D7_glu_pos_3":"10700000","M17_glu_neg_1":"7314887.5","M17_glu_neg_2":"4915338.5","M17_glu_neg_3":"4722272","M17_glu_pos_1":"5962963","M17_glu_pos_2":"7549991.5","M17_glu_pos_3":"5404103"},{"Metabolite":"5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphate","3D7_glu_neg_1":"6459709","3D7_glu_neg_2":"5661972.5","3D7_glu_neg_3":"5985399","3D7_glu_pos_1":"5438276","3D7_glu_pos_2":"2609429.25","3D7_glu_pos_3":"6654701.5","M17_glu_neg_1":"5477004.5","M17_glu_neg_2":"6788139.5","M17_glu_neg_3":"6890482.5","M17_glu_pos_1":"7003929","M17_glu_pos_2":"6595409","M17_glu_pos_3":"6316585"},{"Metabolite":"5-Methylcytidine","3D7_glu_neg_1":"61342.86719","3D7_glu_neg_2":"209721.9375","3D7_glu_neg_3":"216429.1094","3D7_glu_pos_1":"81466.03906","3D7_glu_pos_2":"190246.6563","3D7_glu_pos_3":"0","M17_glu_neg_1":"103535.9922","M17_glu_neg_2":"143913.375","M17_glu_neg_3":"121700.0703","M17_glu_pos_1":"104589.8047","M17_glu_pos_2":"237712.2656","M17_glu_pos_3":"142143.2188"},{"Metabolite":"5'-Methylthioadenosine","3D7_glu_neg_1":"705584.8125","3D7_glu_neg_2":"1063620.875","3D7_glu_neg_3":"1591741.75","3D7_glu_pos_1":"793681.1875","3D7_glu_pos_2":"1424447","3D7_glu_pos_3":"1235040","M17_glu_neg_1":"1493695.5","M17_glu_neg_2":"1992903.125","M17_glu_neg_3":"709440.1875","M17_glu_pos_1":"3958315.5","M17_glu_pos_2":"3635100.75","M17_glu_pos_3":"2958040"},{"Metabolite":"6-(-D-glucosaminyl)-1-phosphatidyl-myo-inositol","3D7_glu_neg_1":"252779.9375","3D7_glu_neg_2":"471801.8438","3D7_glu_neg_3":"46579.34766","3D7_glu_pos_1":"257300.7344","3D7_glu_pos_2":"438381.4688","3D7_glu_pos_3":"100000.0625","M17_glu_neg_1":"204709.1719","M17_glu_neg_2":"0","M17_glu_neg_3":"275175.8125","M17_glu_pos_1":"118624.0391","M17_glu_pos_2":"117684.3125","M17_glu_pos_3":"164183.4844"},{"Metabolite":"6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin","3D7_glu_neg_1":"1625688.5","3D7_glu_neg_2":"4326809.5","3D7_glu_neg_3":"6572667.5","3D7_glu_pos_1":"1555528.375","3D7_glu_pos_2":"3593559.5","3D7_glu_pos_3":"0","M17_glu_neg_1":"3579868.25","M17_glu_neg_2":"8987900","M17_glu_neg_3":"4337621.5","M17_glu_pos_1":"3829606.25","M17_glu_pos_2":"5015836","M17_glu_pos_3":"4456538"},{"Metabolite":"6,10-Dimethyl-9-methylene-5-undecen-2-one","3D7_glu_neg_1":"344296.25","3D7_glu_neg_2":"710771","3D7_glu_neg_3":"692238.0625","3D7_glu_pos_1":"921529.5625","3D7_glu_pos_2":"597013.375","3D7_glu_pos_3":"707641.125","M17_glu_neg_1":"502343.3125","M17_glu_neg_2":"800790.75","M17_glu_neg_3":"900927.75","M17_glu_pos_1":"810396.8125","M17_glu_pos_2":"515225.8438","M17_glu_pos_3":"754505.1875"},{"Metabolite":"6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium","3D7_glu_neg_1":"259913.7969","3D7_glu_neg_2":"902646.125","3D7_glu_neg_3":"812150.875","3D7_glu_pos_1":"764920","3D7_glu_pos_2":"1035515.625","3D7_glu_pos_3":"1072005.375","M17_glu_neg_1":"420953.0313","M17_glu_neg_2":"388993.5625","M17_glu_neg_3":"323138.6875","M17_glu_pos_1":"462519.75","M17_glu_pos_2":"527168.5625","M17_glu_pos_3":"649837.375"},{"Metabolite":"6,7-Dimethyl-8-(1-D-ribityl)lumazine","3D7_glu_neg_1":"1238320.5","3D7_glu_neg_2":"2377699.5","3D7_glu_neg_3":"2647377","3D7_glu_pos_1":"1599547.875","3D7_glu_pos_2":"1406261","3D7_glu_pos_3":"183052.8906","M17_glu_neg_1":"1998607.875","M17_glu_neg_2":"2251844.25","M17_glu_neg_3":"1464412.625","M17_glu_pos_1":"1023817.25","M17_glu_pos_2":"1493859.625","M17_glu_pos_3":"1180049.625"},{"Metabolite":"6-Hydroxyl-1,6-dihydropurine ribonucleoside","3D7_glu_neg_1":"1052668.25","3D7_glu_neg_2":"1439475.5","3D7_glu_neg_3":"1378044.625","3D7_glu_pos_1":"1008788.5","3D7_glu_pos_2":"1238309.25","3D7_glu_pos_3":"97032","M17_glu_neg_1":"1173586.5","M17_glu_neg_2":"1034400.438","M17_glu_neg_3":"750072.4375","M17_glu_pos_1":"1844658.75","M17_glu_pos_2":"2205225.5","M17_glu_pos_3":"2151616.75"},{"Metabolite":"7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-5-[1- -D- ribofuranosyl 5-phosphate]-D-ribitol","3D7_glu_neg_1":"198178.5156","3D7_glu_neg_2":"274280.5625","3D7_glu_neg_3":"420468.5","3D7_glu_pos_1":"257461.7188","3D7_glu_pos_2":"367802.7188","3D7_glu_pos_3":"206409.5781","M17_glu_neg_1":"271452.2813","M17_glu_neg_2":"270878.75","M17_glu_neg_3":"235681.1563","M17_glu_pos_1":"302056.125","M17_glu_pos_2":"394882.4063","M17_glu_pos_3":"275814.5313"},{"Metabolite":"8-Amino-7-oxononanoate","3D7_glu_neg_1":"283140.125","3D7_glu_neg_2":"357387.0938","3D7_glu_neg_3":"354882.8125","3D7_glu_pos_1":"719987.375","3D7_glu_pos_2":"829435.5","3D7_glu_pos_3":"1374486.875","M17_glu_neg_1":"751646.3125","M17_glu_neg_2":"554579.875","M17_glu_neg_3":"504026.25","M17_glu_pos_1":"677451.625","M17_glu_pos_2":"894191.9375","M17_glu_pos_3":"565371.3125"},{"Metabolite":"9'-Carboxy-alpha-chromanol","3D7_glu_neg_1":"10400000","3D7_glu_neg_2":"16700000","3D7_glu_neg_3":"17200000","3D7_glu_pos_1":"14200000","3D7_glu_pos_2":"19000000","3D7_glu_pos_3":"5141468","M17_glu_neg_1":"12100000","M17_glu_neg_2":"12500000","M17_glu_neg_3":"12800000","M17_glu_pos_1":"13900000","M17_glu_pos_2":"16300000","M17_glu_pos_3":"14900000"},{"Metabolite":"9-mercaptodethiobiotin","3D7_glu_neg_1":"141061.7656","3D7_glu_neg_2":"431669.0938","3D7_glu_neg_3":"494776.5313","3D7_glu_pos_1":"199641.2969","3D7_glu_pos_2":"348041.1875","3D7_glu_pos_3":"0","M17_glu_neg_1":"306966.2188","M17_glu_neg_2":"491366.0625","M17_glu_neg_3":"424613.6563","M17_glu_pos_1":"293659.0938","M17_glu_pos_2":"485542.5313","M17_glu_pos_3":"374607.25"},{"Metabolite":"Acacetin 7-O-[6''-O-glucosyl-2''-O-(3'''-acetylrhamnosyl)glucoside","3D7_glu_neg_1":"54393.99219","3D7_glu_neg_2":"202030.0469","3D7_glu_neg_3":"166356","3D7_glu_pos_1":"225296.7969","3D7_glu_pos_2":"111136.5234","3D7_glu_pos_3":"81670.82031","M17_glu_neg_1":"201343.8906","M17_glu_neg_2":"219113.7813","M17_glu_neg_3":"154165.7031","M17_glu_pos_1":"171860.5469","M17_glu_pos_2":"198197.9531","M17_glu_pos_3":"148400.5156"},{"Metabolite":"Acetylcarnitine","3D7_glu_neg_1":"1144670","3D7_glu_neg_2":"1870094.5","3D7_glu_neg_3":"2008557.375","3D7_glu_pos_1":"3070737.5","3D7_glu_pos_2":"3344591.75","3D7_glu_pos_3":"4161476.75","M17_glu_neg_1":"3130887.75","M17_glu_neg_2":"2175121","M17_glu_neg_3":"2247829.5","M17_glu_pos_1":"2094818.375","M17_glu_pos_2":"2535739","M17_glu_pos_3":"1999473"},{"Metabolite":"Acetylhomoserine","3D7_glu_neg_1":"196233.4531","3D7_glu_neg_2":"278529.2813","3D7_glu_neg_3":"314768.9063","3D7_glu_pos_1":"341841.4063","3D7_glu_pos_2":"360879","3D7_glu_pos_3":"609088.25","M17_glu_neg_1":"362891.0938","M17_glu_neg_2":"265083.8438","M17_glu_neg_3":"286805.625","M17_glu_pos_1":"402262.75","M17_glu_pos_2":"500071.8438","M17_glu_pos_3":"445929.3125"},{"Metabolite":"Adenine","3D7_glu_neg_1":"140163.9063","3D7_glu_neg_2":"318905.5625","3D7_glu_neg_3":"283317.0938","3D7_glu_pos_1":"368408.5313","3D7_glu_pos_2":"436725.2813","3D7_glu_pos_3":"399542.875","M17_glu_neg_1":"271147","M17_glu_neg_2":"287975.9063","M17_glu_neg_3":"249562.5156","M17_glu_pos_1":"548135.125","M17_glu_pos_2":"627092.6875","M17_glu_pos_3":"579136.25"},{"Metabolite":"Adenosine","3D7_glu_neg_1":"335662.6563","3D7_glu_neg_2":"540740.125","3D7_glu_neg_3":"538082.0625","3D7_glu_pos_1":"492033.0313","3D7_glu_pos_2":"448671.125","3D7_glu_pos_3":"197542.8594","M17_glu_neg_1":"320997.1875","M17_glu_neg_2":"317544.3125","M17_glu_neg_3":"307308.1875","M17_glu_pos_1":"320250.2188","M17_glu_pos_2":"348904.1875","M17_glu_pos_3":"315314.3438"},{"Metabolite":"Adenosine monophosphate","3D7_glu_neg_1":"60000000","3D7_glu_neg_2":"96400000","3D7_glu_neg_3":"94000000","3D7_glu_pos_1":"73600000","3D7_glu_pos_2":"84900000","3D7_glu_pos_3":"17100000","M17_glu_neg_1":"64300000","M17_glu_neg_2":"61300000","M17_glu_neg_3":"59800000","M17_glu_pos_1":"36500000","M17_glu_pos_2":"46000000","M17_glu_pos_3":"34700000"},{"Metabolite":"Adenosine triphosphate","3D7_glu_neg_1":"163522.5938","3D7_glu_neg_2":"192729.6719","3D7_glu_neg_3":"174223.6719","3D7_glu_pos_1":"186913.7656","3D7_glu_pos_2":"1521294","3D7_glu_pos_3":"338523.5625","M17_glu_neg_1":"272090.9688","M17_glu_neg_2":"395728.25","M17_glu_neg_3":"251549.2813","M17_glu_pos_1":"441214.6875","M17_glu_pos_2":"444369.0625","M17_glu_pos_3":"374422.7188"},{"Metabolite":"adenosine-N-oxide","3D7_glu_neg_1":"39900.59375","3D7_glu_neg_2":"97183.41406","3D7_glu_neg_3":"127551.5078","3D7_glu_pos_1":"84888.5","3D7_glu_pos_2":"111031.0703","3D7_glu_pos_3":"0","M17_glu_neg_1":"136432.5156","M17_glu_neg_2":"196884.8438","M17_glu_neg_3":"182299.7344","M17_glu_pos_1":"303834.125","M17_glu_pos_2":"292768.375","M17_glu_pos_3":"278654.8125"},{"Metabolite":"Adenosylhomocysteine","3D7_glu_neg_1":"1365047.75","3D7_glu_neg_2":"2083069.375","3D7_glu_neg_3":"2041595.75","3D7_glu_pos_1":"1355636","3D7_glu_pos_2":"1976893.625","3D7_glu_pos_3":"419208.4688","M17_glu_neg_1":"1754709","M17_glu_neg_2":"1474578.5","M17_glu_neg_3":"1361195.25","M17_glu_pos_1":"1934895.75","M17_glu_pos_2":"2341103.5","M17_glu_pos_3":"1887556.5"},{"Metabolite":"Adenosylmethionine","3D7_glu_neg_1":"269036.375","3D7_glu_neg_2":"554672.75","3D7_glu_neg_3":"550859.0625","3D7_glu_pos_1":"660576.125","3D7_glu_pos_2":"985625.3125","3D7_glu_pos_3":"490637.9063","M17_glu_neg_1":"769173.625","M17_glu_neg_2":"1044513.813","M17_glu_neg_3":"731014.125","M17_glu_pos_1":"2167421","M17_glu_pos_2":"2693183.5","M17_glu_pos_3":"2287046"},{"Metabolite":"Adenylsuccinic acid","3D7_glu_neg_1":"63889.9375","3D7_glu_neg_2":"166322.9063","3D7_glu_neg_3":"90379.96094","3D7_glu_pos_1":"109187.7344","3D7_glu_pos_2":"403308.5625","3D7_glu_pos_3":"90499.70313","M17_glu_neg_1":"90217.97656","M17_glu_neg_2":"119722.6172","M17_glu_neg_3":"89213.57031","M17_glu_pos_1":"44254.95313","M17_glu_pos_2":"47310.40234","M17_glu_pos_3":"47278.74219"},{"Metabolite":"ADP","3D7_glu_neg_1":"837002.8125","3D7_glu_neg_2":"1174555.625","3D7_glu_neg_3":"1324262.75","3D7_glu_pos_1":"1300823.25","3D7_glu_pos_2":"1570544.25","3D7_glu_pos_3":"616962.1875","M17_glu_neg_1":"1148508","M17_glu_neg_2":"1130391","M17_glu_neg_3":"1024050.063","M17_glu_pos_1":"1377748.5","M17_glu_pos_2":"1510220.875","M17_glu_pos_3":"1616514.125"},{"Metabolite":"ADP-ribose 1-2 cyclic phosphate","3D7_glu_neg_1":"149989.0313","3D7_glu_neg_2":"237880.7656","3D7_glu_neg_3":"206989.9688","3D7_glu_pos_1":"144320","3D7_glu_pos_2":"365730.4063","3D7_glu_pos_3":"72928.42188","M17_glu_neg_1":"127623.125","M17_glu_neg_2":"138911.4375","M17_glu_neg_3":"94838.67188","M17_glu_pos_1":"117488.3125","M17_glu_pos_2":"137328.3906","M17_glu_pos_3":"133885.8125"},{"Metabolite":"Ala/Ala/Ala","3D7_glu_neg_1":"339937.875","3D7_glu_neg_2":"714012.375","3D7_glu_neg_3":"1108175.375","3D7_glu_pos_1":"345187.6875","3D7_glu_pos_2":"711671.875","3D7_glu_pos_3":"0","M17_glu_neg_1":"924780.875","M17_glu_neg_2":"1503960.125","M17_glu_neg_3":"1006934.313","M17_glu_pos_1":"1568535.125","M17_glu_pos_2":"2062329.125","M17_glu_pos_3":"1585442.375"},{"Metabolite":"Ala/Ala/Ala/Pro","3D7_glu_neg_1":"155822.3125","3D7_glu_neg_2":"322788.8125","3D7_glu_neg_3":"329551.2813","3D7_glu_pos_1":"173516.5469","3D7_glu_pos_2":"316672.625","3D7_glu_pos_3":"0","M17_glu_neg_1":"241086.3438","M17_glu_neg_2":"359237.875","M17_glu_neg_3":"207463.8438","M17_glu_pos_1":"1118336.5","M17_glu_pos_2":"1463706.25","M17_glu_pos_3":"1414096.5"},{"Metabolite":"Ala/Ala/Ala/Ser","3D7_glu_neg_1":"235963.1719","3D7_glu_neg_2":"322289.4375","3D7_glu_neg_3":"357402.25","3D7_glu_pos_1":"365806.375","3D7_glu_pos_2":"327032.8438","3D7_glu_pos_3":"164651.4219","M17_glu_neg_1":"351745.9375","M17_glu_neg_2":"359999.5313","M17_glu_neg_3":"260856.5781","M17_glu_pos_1":"416942.75","M17_glu_pos_2":"433785.7813","M17_glu_pos_3":"403112.5938"},{"Metabolite":"Ala/Ala/Arg","3D7_glu_neg_1":"194794.8594","3D7_glu_neg_2":"436924.5938","3D7_glu_neg_3":"389462.1875","3D7_glu_pos_1":"262193.4688","3D7_glu_pos_2":"346632.2188","3D7_glu_pos_3":"0","M17_glu_neg_1":"523408.5938","M17_glu_neg_2":"397690.0938","M17_glu_neg_3":"325450.4375","M17_glu_pos_1":"0","M17_glu_pos_2":"0","M17_glu_pos_3":"0"},{"Metabolite":"Ala/Ala/Asp/Asp","3D7_glu_neg_1":"0","3D7_glu_neg_2":"65266.16016","3D7_glu_neg_3":"99486.95313","3D7_glu_pos_1":"28920.36328","3D7_glu_pos_2":"87534.19531","3D7_glu_pos_3":"0","M17_glu_neg_1":"83818.32031","M17_glu_neg_2":"79682.3125","M17_glu_neg_3":"37095.62891","M17_glu_pos_1":"142043.9531","M17_glu_pos_2":"222377.4531","M17_glu_pos_3":"194861.2813"},{"Metabolite":"Ala/Ala/Asp/Pro","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"522410.5","M17_glu_pos_2":"796839.0625","M17_glu_pos_3":"523406.5938"},{"Metabolite":"Ala/Ala/Asp/Ser","3D7_glu_neg_1":"142070.9375","3D7_glu_neg_2":"408004.4063","3D7_glu_neg_3":"408279.5625","3D7_glu_pos_1":"327456.5938","3D7_glu_pos_2":"672093.8125","3D7_glu_pos_3":"0","M17_glu_neg_1":"651257.25","M17_glu_neg_2":"666474.125","M17_glu_neg_3":"467552.9063","M17_glu_pos_1":"946326.375","M17_glu_pos_2":"1110538","M17_glu_pos_3":"952132.125"},{"Metabolite":"Ala/Ala/Asp/Tyr","3D7_glu_neg_1":"128844.4375","3D7_glu_neg_2":"234242.9688","3D7_glu_neg_3":"276565.4063","3D7_glu_pos_1":"359991.375","3D7_glu_pos_2":"350014.6563","3D7_glu_pos_3":"0","M17_glu_neg_1":"242966.8438","M17_glu_neg_2":"283564.5313","M17_glu_neg_3":"196841.125","M17_glu_pos_1":"237564.4688","M17_glu_pos_2":"257627.1563","M17_glu_pos_3":"241636.7344"},{"Metabolite":"Ala/Ala/Cys","3D7_glu_neg_1":"0","3D7_glu_neg_2":"68337.07813","3D7_glu_neg_3":"120136.2969","3D7_glu_pos_1":"0","3D7_glu_pos_2":"121452.8906","3D7_glu_pos_3":"0","M17_glu_neg_1":"81000.90625","M17_glu_neg_2":"172044","M17_glu_neg_3":"134589.3594","M17_glu_pos_1":"167915.1719","M17_glu_pos_2":"212299.9531","M17_glu_pos_3":"112018.9141"},{"Metabolite":"Ala/Ala/Gly/Arg","3D7_glu_neg_1":"120195.6641","3D7_glu_neg_2":"320129.25","3D7_glu_neg_3":"254746.9688","3D7_glu_pos_1":"261780.1563","3D7_glu_pos_2":"330861","3D7_glu_pos_3":"0","M17_glu_neg_1":"237710.8281","M17_glu_neg_2":"310754.6563","M17_glu_neg_3":"166614.3281","M17_glu_pos_1":"0","M17_glu_pos_2":"0","M17_glu_pos_3":"0"},{"Metabolite":"Ala/Ala/Ser","3D7_glu_neg_1":"355035.9063","3D7_glu_neg_2":"966118.9375","3D7_glu_neg_3":"1499951.5","3D7_glu_pos_1":"412967.0625","3D7_glu_pos_2":"1020674.5","3D7_glu_pos_3":"39309.33984","M17_glu_neg_1":"1036040.625","M17_glu_neg_2":"2044070.25","M17_glu_neg_3":"1175473","M17_glu_pos_1":"12000000","M17_glu_pos_2":"14000000","M17_glu_pos_3":"12300000"},{"Metabolite":"Ala/Asn/Gly","3D7_glu_neg_1":"535304.8125","3D7_glu_neg_2":"1732629.25","3D7_glu_neg_3":"2591270","3D7_glu_pos_1":"828857.125","3D7_glu_pos_2":"1827306","3D7_glu_pos_3":"27350.64258","M17_glu_neg_1":"1673325.125","M17_glu_neg_2":"3136524.5","M17_glu_neg_3":"1754288.375","M17_glu_pos_1":"825221","M17_glu_pos_2":"1205692","M17_glu_pos_3":"1005530.813"},{"Metabolite":"Ala/Asn/Pro","3D7_glu_neg_1":"0","3D7_glu_neg_2":"33472.42188","3D7_glu_neg_3":"47374.66406","3D7_glu_pos_1":"51732.13281","3D7_glu_pos_2":"55136.61719","3D7_glu_pos_3":"0","M17_glu_neg_1":"66121.55469","M17_glu_neg_2":"69763.17969","M17_glu_neg_3":"41557.45313","M17_glu_pos_1":"1887134.125","M17_glu_pos_2":"1969413.375","M17_glu_pos_3":"1650383.625"},{"Metabolite":"Ala/Asp/Gln/Gln","3D7_glu_neg_1":"104332.6328","3D7_glu_neg_2":"200100.4219","3D7_glu_neg_3":"197433.5938","3D7_glu_pos_1":"136018.9688","3D7_glu_pos_2":"159308.0156","3D7_glu_pos_3":"0","M17_glu_neg_1":"143660.5","M17_glu_neg_2":"184696.5156","M17_glu_neg_3":"112025.1953","M17_glu_pos_1":"78041.70313","M17_glu_pos_2":"143345.2031","M17_glu_pos_3":"135331.375"},{"Metabolite":"Ala/Asp/Gly/Pro","3D7_glu_neg_1":"90019.16406","3D7_glu_neg_2":"214727.0781","3D7_glu_neg_3":"277868.0313","3D7_glu_pos_1":"150652.9531","3D7_glu_pos_2":"247978.9688","3D7_glu_pos_3":"0","M17_glu_neg_1":"229529.3906","M17_glu_neg_2":"313222.2813","M17_glu_neg_3":"192449.6719","M17_glu_pos_1":"3582445.25","M17_glu_pos_2":"4427396","M17_glu_pos_3":"3917962.25"},{"Metabolite":"Ala/Asp/Met/Pro/Thr","3D7_glu_neg_1":"0","3D7_glu_neg_2":"400149.4688","3D7_glu_neg_3":"477370.125","3D7_glu_pos_1":"176067.3438","3D7_glu_pos_2":"471177.6875","3D7_glu_pos_3":"0","M17_glu_neg_1":"218556.7031","M17_glu_neg_2":"548096.8125","M17_glu_neg_3":"291666.75","M17_glu_pos_1":"253365.8125","M17_glu_pos_2":"415998.0938","M17_glu_pos_3":"364738.7813"},{"Metabolite":"Ala/Asp/Pro","3D7_glu_neg_1":"243766.6875","3D7_glu_neg_2":"430794.5","3D7_glu_neg_3":"490981.8438","3D7_glu_pos_1":"335999.7813","3D7_glu_pos_2":"517482.125","3D7_glu_pos_3":"76436.6875","M17_glu_neg_1":"360051.7188","M17_glu_neg_2":"562290.8125","M17_glu_neg_3":"350544.875","M17_glu_pos_1":"9225002","M17_glu_pos_2":"10800000","M17_glu_pos_3":"10400000"},{"Metabolite":"Ala/Asp/Ser","3D7_glu_neg_1":"212842.4844","3D7_glu_neg_2":"248030.7969","3D7_glu_neg_3":"426339.0938","3D7_glu_pos_1":"345540.875","3D7_glu_pos_2":"307660.6875","3D7_glu_pos_3":"151120.25","M17_glu_neg_1":"463409.0625","M17_glu_neg_2":"490277.8125","M17_glu_neg_3":"445178.75","M17_glu_pos_1":"355929.7188","M17_glu_pos_2":"446534.375","M17_glu_pos_3":"404297.4375"},{"Metabolite":"Ala/Cys/Met/Met/Pro","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"639408.375","M17_glu_pos_2":"752846.8125","M17_glu_pos_3":"504140.125"},{"Metabolite":"Ala/Glu/Gln/Glu","3D7_glu_neg_1":"65659.23438","3D7_glu_neg_2":"63429.77344","3D7_glu_neg_3":"121761.5625","3D7_glu_pos_1":"0","3D7_glu_pos_2":"87085.3125","3D7_glu_pos_3":"0","M17_glu_neg_1":"109961.5313","M17_glu_neg_2":"252904.75","M17_glu_neg_3":"131252.0313","M17_glu_pos_1":"562796.4375","M17_glu_pos_2":"666608.6875","M17_glu_pos_3":"672597.9375"},{"Metabolite":"Ala/Glu/Glu/His","3D7_glu_neg_1":"7791774.5","3D7_glu_neg_2":"14600000","3D7_glu_neg_3":"13500000","3D7_glu_pos_1":"7396957","3D7_glu_pos_2":"18600000","3D7_glu_pos_3":"246642.7813","M17_glu_neg_1":"9428506","M17_glu_neg_2":"14100000","M17_glu_neg_3":"9479438","M17_glu_pos_1":"20400000","M17_glu_pos_2":"24000000","M17_glu_pos_3":"23700000"},{"Metabolite":"Ala/Glu/Glu/Pro/Gln","3D7_glu_neg_1":"96848.01563","3D7_glu_neg_2":"227554.5","3D7_glu_neg_3":"214434.625","3D7_glu_pos_1":"124693.9688","3D7_glu_pos_2":"199417.7656","3D7_glu_pos_3":"0","M17_glu_neg_1":"113084.0938","M17_glu_neg_2":"148789.5938","M17_glu_neg_3":"143327.3594","M17_glu_pos_1":"0","M17_glu_pos_2":"0","M17_glu_pos_3":"0"},{"Metabolite":"Ala/Glu/Ile/Pro/Thr","3D7_glu_neg_1":"2712597.5","3D7_glu_neg_2":"4153928.5","3D7_glu_neg_3":"4652156.5","3D7_glu_pos_1":"2970697","3D7_glu_pos_2":"4075464.5","3D7_glu_pos_3":"448628.0625","M17_glu_neg_1":"3877020.5","M17_glu_neg_2":"4296953","M17_glu_neg_3":"2922330","M17_glu_pos_1":"2646286.5","M17_glu_pos_2":"2499021.25","M17_glu_pos_3":"2067386.75"},{"Metabolite":"Ala/Glu/Met/Pro/Thr","3D7_glu_neg_1":"0","3D7_glu_neg_2":"79991.89063","3D7_glu_neg_3":"116931.5938","3D7_glu_pos_1":"0","3D7_glu_pos_2":"124712.9688","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"137710.7344","M17_glu_neg_3":"88512.03906","M17_glu_pos_1":"341952.9375","M17_glu_pos_2":"566511.875","M17_glu_pos_3":"420430.9375"},{"Metabolite":"Ala/Gly/Gly/Gly","3D7_glu_neg_1":"376809.375","3D7_glu_neg_2":"1108577.75","3D7_glu_neg_3":"1362740.625","3D7_glu_pos_1":"485478.0625","3D7_glu_pos_2":"1166096","3D7_glu_pos_3":"27350.64258","M17_glu_neg_1":"757133.4375","M17_glu_neg_2":"1680504.625","M17_glu_neg_3":"854323.5625","M17_glu_pos_1":"717211.9375","M17_glu_pos_2":"1023393.438","M17_glu_pos_3":"1005530.813"},{"Metabolite":"Ala/Gly/Pro","3D7_glu_neg_1":"1641072.375","3D7_glu_neg_2":"3451347","3D7_glu_neg_3":"4880032","3D7_glu_pos_1":"2282177.75","3D7_glu_pos_2":"3095754","3D7_glu_pos_3":"0","M17_glu_neg_1":"3589818.75","M17_glu_neg_2":"4809800","M17_glu_neg_3":"3788206","M17_glu_pos_1":"9006875","M17_glu_pos_2":"12000000","M17_glu_pos_3":"10900000"},{"Metabolite":"Ala/Gly/Ser","3D7_glu_neg_1":"1126514.875","3D7_glu_neg_2":"2149971.5","3D7_glu_neg_3":"3643333.75","3D7_glu_pos_1":"1085261.375","3D7_glu_pos_2":"1500388.75","3D7_glu_pos_3":"20900.72266","M17_glu_neg_1":"2469976.5","M17_glu_neg_2":"3566861.5","M17_glu_neg_3":"3142817","M17_glu_pos_1":"11400000","M17_glu_pos_2":"13100000","M17_glu_pos_3":"12000000"},{"Metabolite":"Ala/Gly/Tyr","3D7_glu_neg_1":"101945.8203","3D7_glu_neg_2":"320236.9375","3D7_glu_neg_3":"333517.9063","3D7_glu_pos_1":"100933.3672","3D7_glu_pos_2":"246702.4531","3D7_glu_pos_3":"0","M17_glu_neg_1":"185214.6563","M17_glu_neg_2":"536727.75","M17_glu_neg_3":"322154.2188","M17_glu_pos_1":"626310.8125","M17_glu_pos_2":"813153.1875","M17_glu_pos_3":"667444.1875"},{"Metabolite":"Ala/His/Ile/Ile/Gln","3D7_glu_neg_1":"98247.66406","3D7_glu_neg_2":"167081.1875","3D7_glu_neg_3":"176454.1406","3D7_glu_pos_1":"158423.2344","3D7_glu_pos_2":"163829.2656","3D7_glu_pos_3":"0","M17_glu_neg_1":"147342.2031","M17_glu_neg_2":"169644.4688","M17_glu_neg_3":"115886.5313","M17_glu_pos_1":"260341.7188","M17_glu_pos_2":"411797.3438","M17_glu_pos_3":"282030.2813"},{"Metabolite":"Ala/Ile/Pro/Pro/Ser","3D7_glu_neg_1":"521710.8438","3D7_glu_neg_2":"919491.125","3D7_glu_neg_3":"1048212.75","3D7_glu_pos_1":"899469.0625","3D7_glu_pos_2":"1225807.5","3D7_glu_pos_3":"284311.9063","M17_glu_neg_1":"847231.375","M17_glu_neg_2":"768543.4375","M17_glu_neg_3":"721666.125","M17_glu_pos_1":"721004.1875","M17_glu_pos_2":"950449.4375","M17_glu_pos_3":"826889.75"},{"Metabolite":"Ala/Leu/Ala/Ser","3D7_glu_neg_1":"0","3D7_glu_neg_2":"210607.875","3D7_glu_neg_3":"204427.7969","3D7_glu_pos_1":"0","3D7_glu_pos_2":"169145.7031","3D7_glu_pos_3":"0","M17_glu_neg_1":"80621.49219","M17_glu_neg_2":"340168.2188","M17_glu_neg_3":"236385.4688","M17_glu_pos_1":"230161.9219","M17_glu_pos_2":"271507.4375","M17_glu_pos_3":"269003.5625"},{"Metabolite":"Ala/Leu/Asn/Pro","3D7_glu_neg_1":"437040.3125","3D7_glu_neg_2":"865865","3D7_glu_neg_3":"1364613.5","3D7_glu_pos_1":"524517.9375","3D7_glu_pos_2":"1060870.375","3D7_glu_pos_3":"0","M17_glu_neg_1":"807196.75","M17_glu_neg_2":"1301803.375","M17_glu_neg_3":"785803.125","M17_glu_pos_1":"870228.875","M17_glu_pos_2":"1004906.313","M17_glu_pos_3":"876412.6875"},{"Metabolite":"Ala/Leu/Asp/Ser","3D7_glu_neg_1":"129583.8359","3D7_glu_neg_2":"170922.2656","3D7_glu_neg_3":"250543.6875","3D7_glu_pos_1":"177625.3125","3D7_glu_pos_2":"213725.9375","3D7_glu_pos_3":"0","M17_glu_neg_1":"201932.4531","M17_glu_neg_2":"219447.9063","M17_glu_neg_3":"146040.3906","M17_glu_pos_1":"254829.1406","M17_glu_pos_2":"367833.3438","M17_glu_pos_3":"292079.875"},{"Metabolite":"Ala/Leu/Gly/Pro","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"41749.28906","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"36188.04688","M17_glu_neg_3":"26191.94141","M17_glu_pos_1":"139526.7656","M17_glu_pos_2":"144357.2188","M17_glu_pos_3":"121566.2422"},{"Metabolite":"Ala/Leu/Thr/Ala","3D7_glu_neg_1":"453901.5625","3D7_glu_neg_2":"763158.4375","3D7_glu_neg_3":"778791.5","3D7_glu_pos_1":"852530","3D7_glu_pos_2":"861521.8125","3D7_glu_pos_3":"283723.75","M17_glu_neg_1":"737539.6875","M17_glu_neg_2":"600637","M17_glu_neg_3":"605015.0625","M17_glu_pos_1":"592533.5625","M17_glu_pos_2":"707604.875","M17_glu_pos_3":"692329.375"},{"Metabolite":"Ala/Leu/Trp/Ser","3D7_glu_neg_1":"2536898","3D7_glu_neg_2":"5462399","3D7_glu_neg_3":"5436831","3D7_glu_pos_1":"3730272.25","3D7_glu_pos_2":"6565033.5","3D7_glu_pos_3":"0","M17_glu_neg_1":"6334641.5","M17_glu_neg_2":"6976204.5","M17_glu_neg_3":"7089215","M17_glu_pos_1":"7008682.5","M17_glu_pos_2":"8744572","M17_glu_pos_3":"9884283"},{"Metabolite":"Ala/Lys/Ala/Ala","3D7_glu_neg_1":"111205.9141","3D7_glu_neg_2":"306791.5313","3D7_glu_neg_3":"573251.75","3D7_glu_pos_1":"246336.2188","3D7_glu_pos_2":"359665.0313","3D7_glu_pos_3":"0","M17_glu_neg_1":"335393.25","M17_glu_neg_2":"832364.0625","M17_glu_neg_3":"425481.4688","M17_glu_pos_1":"892132.3125","M17_glu_pos_2":"1074100.375","M17_glu_pos_3":"867837.6875"},{"Metabolite":"Ala/Lys/Ala/Gln","3D7_glu_neg_1":"0","3D7_glu_neg_2":"79673.09375","3D7_glu_neg_3":"84229.5625","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"98724.21094","M17_glu_neg_2":"211426.3125","M17_glu_neg_3":"95968.14063","M17_glu_pos_1":"0","M17_glu_pos_2":"0","M17_glu_pos_3":"0"},{"Metabolite":"Ala/Lys/Ala/Ser","3D7_glu_neg_1":"0","3D7_glu_neg_2":"95634.60938","3D7_glu_neg_3":"107429.1094","3D7_glu_pos_1":"32473.42578","3D7_glu_pos_2":"127976.5625","3D7_glu_pos_3":"0","M17_glu_neg_1":"128392.1797","M17_glu_neg_2":"210321.0938","M17_glu_neg_3":"143489.6719","M17_glu_pos_1":"545338.625","M17_glu_pos_2":"811518.625","M17_glu_pos_3":"587428.0625"},{"Metabolite":"Ala/Lys/Lys/Asp","3D7_glu_neg_1":"166422.5781","3D7_glu_neg_2":"629070.75","3D7_glu_neg_3":"1047954.375","3D7_glu_pos_1":"349542","3D7_glu_pos_2":"602319.9375","3D7_glu_pos_3":"97589.01563","M17_glu_neg_1":"662290.8125","M17_glu_neg_2":"1814020.125","M17_glu_neg_3":"805897.1875","M17_glu_pos_1":"1760206","M17_glu_pos_2":"2258605.25","M17_glu_pos_3":"2025114.375"},{"Metabolite":"Ala/Lys/Trp/Val","3D7_glu_neg_1":"205947.2344","3D7_glu_neg_2":"219867.1875","3D7_glu_neg_3":"197413.375","3D7_glu_pos_1":"196086.9531","3D7_glu_pos_2":"200059.0938","3D7_glu_pos_3":"213035.2344","M17_glu_neg_1":"233068.9688","M17_glu_neg_2":"217983.8594","M17_glu_neg_3":"234325.9219","M17_glu_pos_1":"212194.8125","M17_glu_pos_2":"251972.0156","M17_glu_pos_3":"203301.9531"},{"Metabolite":"Ala/Lys/Val/Pro","3D7_glu_neg_1":"133379.5469","3D7_glu_neg_2":"287748.0938","3D7_glu_neg_3":"393507.0625","3D7_glu_pos_1":"250377.3906","3D7_glu_pos_2":"280776.5313","3D7_glu_pos_3":"0","M17_glu_neg_1":"323680.4375","M17_glu_neg_2":"316356.5625","M17_glu_neg_3":"260380.3281","M17_glu_pos_1":"92152.79688","M17_glu_pos_2":"177881.9063","M17_glu_pos_3":"134210.5313"},{"Metabolite":"Ala/Met/Ala/Pro","3D7_glu_neg_1":"6999704.5","3D7_glu_neg_2":"6365785.5","3D7_glu_neg_3":"4893487","3D7_glu_pos_1":"7012711","3D7_glu_pos_2":"4273045","3D7_glu_pos_3":"6080750","M17_glu_neg_1":"8122339.5","M17_glu_neg_2":"7682091.5","M17_glu_neg_3":"9882616","M17_glu_pos_1":"8905679","M17_glu_pos_2":"8954313","M17_glu_pos_3":"5964306"},{"Metabolite":"Ala/Phe/Ala/Arg","3D7_glu_neg_1":"532070.8125","3D7_glu_neg_2":"1024161.063","3D7_glu_neg_3":"1395983.5","3D7_glu_pos_1":"1162291.875","3D7_glu_pos_2":"1315632.25","3D7_glu_pos_3":"0","M17_glu_neg_1":"1370352.5","M17_glu_neg_2":"1698980.25","M17_glu_neg_3":"1397538.375","M17_glu_pos_1":"695843.375","M17_glu_pos_2":"899204","M17_glu_pos_3":"902737.5625"},{"Metabolite":"Ala/Pro/Ser/Ser","3D7_glu_neg_1":"46461.83594","3D7_glu_neg_2":"78305.33594","3D7_glu_neg_3":"125386.3438","3D7_glu_pos_1":"50807.78516","3D7_glu_pos_2":"110730.7578","3D7_glu_pos_3":"0","M17_glu_neg_1":"94630.57813","M17_glu_neg_2":"107672.7813","M17_glu_neg_3":"99043.72656","M17_glu_pos_1":"112277.0703","M17_glu_pos_2":"156158.9688","M17_glu_pos_3":"135932.9531"},{"Metabolite":"Ala/Thr/Ala/Ala","3D7_glu_neg_1":"566413.375","3D7_glu_neg_2":"925657","3D7_glu_neg_3":"1180205.875","3D7_glu_pos_1":"610866.8125","3D7_glu_pos_2":"741519.5625","3D7_glu_pos_3":"91746.79688","M17_glu_neg_1":"880340.3125","M17_glu_neg_2":"870580.5","M17_glu_neg_3":"686185.5","M17_glu_pos_1":"1049487.5","M17_glu_pos_2":"986186.5625","M17_glu_pos_3":"1005081.375"},{"Metabolite":"Ala/Thr/Ala/Asp","3D7_glu_neg_1":"64077.37109","3D7_glu_neg_2":"315174.875","3D7_glu_neg_3":"285800.9375","3D7_glu_pos_1":"354755.3438","3D7_glu_pos_2":"564495.75","3D7_glu_pos_3":"0","M17_glu_neg_1":"1164574.375","M17_glu_neg_2":"1092011.75","M17_glu_neg_3":"661624.75","M17_glu_pos_1":"2174526","M17_glu_pos_2":"2728451.25","M17_glu_pos_3":"2307132"},{"Metabolite":"Ala/Thr/Ala/Gln","3D7_glu_neg_1":"78419.78906","3D7_glu_neg_2":"176875.4844","3D7_glu_neg_3":"301468.3125","3D7_glu_pos_1":"140168.25","3D7_glu_pos_2":"212201.4688","3D7_glu_pos_3":"0","M17_glu_neg_1":"209097.3438","M17_glu_neg_2":"387392.875","M17_glu_neg_3":"275182.6563","M17_glu_pos_1":"208082.8281","M17_glu_pos_2":"322045.5","M17_glu_pos_3":"297223.3438"},{"Metabolite":"Ala/Val/Asn/Pro","3D7_glu_neg_1":"116471.4766","3D7_glu_neg_2":"241370.3906","3D7_glu_neg_3":"299240.4688","3D7_glu_pos_1":"162844.7031","3D7_glu_pos_2":"231901.375","3D7_glu_pos_3":"0","M17_glu_neg_1":"220000.7813","M17_glu_neg_2":"240664.5469","M17_glu_neg_3":"183938.0938","M17_glu_pos_1":"318317.9688","M17_glu_pos_2":"386996.5938","M17_glu_pos_3":"339567.0938"},{"Metabolite":"Ala/Val/Asp/Pro","3D7_glu_neg_1":"57062.92578","3D7_glu_neg_2":"99351","3D7_glu_neg_3":"121601.3047","3D7_glu_pos_1":"90062.86719","3D7_glu_pos_2":"91579.13281","3D7_glu_pos_3":"0","M17_glu_neg_1":"114790.9219","M17_glu_neg_2":"110984.9688","M17_glu_neg_3":"76026.02344","M17_glu_pos_1":"359947.5","M17_glu_pos_2":"416544.2188","M17_glu_pos_3":"398819.875"},{"Metabolite":"Ala/Val/Asp/Ser","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"60148.97266","M17_glu_neg_2":"54011.53516","M17_glu_neg_3":"0","M17_glu_pos_1":"935744.0625","M17_glu_pos_2":"1295665.75","M17_glu_pos_3":"1005641.75"},{"Metabolite":"Ala/Val/Gly/Pro","3D7_glu_neg_1":"197453.4844","3D7_glu_neg_2":"373626.6875","3D7_glu_neg_3":"351856.7813","3D7_glu_pos_1":"394165.6875","3D7_glu_pos_2":"425894.1563","3D7_glu_pos_3":"120811.9844","M17_glu_neg_1":"273704.4063","M17_glu_neg_2":"379331.5625","M17_glu_neg_3":"290957","M17_glu_pos_1":"1919942.625","M17_glu_pos_2":"2260729.25","M17_glu_pos_3":"1985876.25"},{"Metabolite":"Alanine","3D7_glu_neg_1":"754363.75","3D7_glu_neg_2":"1790953.125","3D7_glu_neg_3":"1351570.75","3D7_glu_pos_1":"1978721.125","3D7_glu_pos_2":"2131574.5","3D7_glu_pos_3":"2425765.5","M17_glu_neg_1":"2101997.5","M17_glu_neg_2":"1919898.875","M17_glu_neg_3":"1644561","M17_glu_pos_1":"2096548","M17_glu_pos_2":"2218029.5","M17_glu_pos_3":"1784739.125"},{"Metabolite":"Alanyl-Asparagine","3D7_glu_neg_1":"179910.3125","3D7_glu_neg_2":"548512.5","3D7_glu_neg_3":"713439.8125","3D7_glu_pos_1":"205674.9375","3D7_glu_pos_2":"553996.6875","3D7_glu_pos_3":"0","M17_glu_neg_1":"456710.0938","M17_glu_neg_2":"792774.75","M17_glu_neg_3":"485756.8125","M17_glu_pos_1":"311001.7813","M17_glu_pos_2":"450073.5938","M17_glu_pos_3":"294720.4375"},{"Metabolite":"Alanyl-Proline","3D7_glu_neg_1":"9843266","3D7_glu_neg_2":"21100000","3D7_glu_neg_3":"26700000","3D7_glu_pos_1":"12700000","3D7_glu_pos_2":"18600000","3D7_glu_pos_3":"1152748","M17_glu_neg_1":"18700000","M17_glu_neg_2":"30500000","M17_glu_neg_3":"25100000","M17_glu_pos_1":"79400000","M17_glu_pos_2":"106000000","M17_glu_pos_3":"82600000"},{"Metabolite":"Alanyl-Serine","3D7_glu_neg_1":"174889.25","3D7_glu_neg_2":"428442.9063","3D7_glu_neg_3":"397150.4063","3D7_glu_pos_1":"245997.2656","3D7_glu_pos_2":"395086.0313","3D7_glu_pos_3":"0","M17_glu_neg_1":"301668.625","M17_glu_neg_2":"401920.3125","M17_glu_neg_3":"348339.9375","M17_glu_pos_1":"977213.8125","M17_glu_pos_2":"1215846","M17_glu_pos_3":"1063161.75"},{"Metabolite":"Allopurinol","3D7_glu_neg_1":"334276.25","3D7_glu_neg_2":"458966.0625","3D7_glu_neg_3":"381251.5","3D7_glu_pos_1":"318239.25","3D7_glu_pos_2":"326690.5313","3D7_glu_pos_3":"377757.8125","M17_glu_neg_1":"345859.3125","M17_glu_neg_2":"255705.1406","M17_glu_neg_3":"239653.4219","M17_glu_pos_1":"305810.5938","M17_glu_pos_2":"243801.1875","M17_glu_pos_3":"193716.0625"},{"Metabolite":"Aminoadipic acid","3D7_glu_neg_1":"82048.65625","3D7_glu_neg_2":"66970.83594","3D7_glu_neg_3":"65433.23438","3D7_glu_pos_1":"484250.75","3D7_glu_pos_2":"489095.7188","3D7_glu_pos_3":"310018.6563","M17_glu_neg_1":"80382.80469","M17_glu_neg_2":"61182.78125","M17_glu_neg_3":"54594.47656","M17_glu_pos_1":"1147055.875","M17_glu_pos_2":"1165374.875","M17_glu_pos_3":"1076838.625"},{"Metabolite":"Aminohydroquinone","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"118251.6328","3D7_glu_pos_2":"176923.2031","3D7_glu_pos_3":"67701.45313","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"169963.4688","M17_glu_pos_2":"179241.0313","M17_glu_pos_3":"212211.0313"},{"Metabolite":"Apiitol","3D7_glu_neg_1":"998065.75","3D7_glu_neg_2":"882186.25","3D7_glu_neg_3":"1291229.25","3D7_glu_pos_1":"1739689.125","3D7_glu_pos_2":"899860.1875","3D7_glu_pos_3":"1191429","M17_glu_neg_1":"1208741.875","M17_glu_neg_2":"585536.25","M17_glu_neg_3":"1892146.375","M17_glu_pos_1":"1795120.125","M17_glu_pos_2":"1454387.875","M17_glu_pos_3":"1260850.375"},{"Metabolite":"Arabitol","3D7_glu_neg_1":"126535.5391","3D7_glu_neg_2":"230049.9219","3D7_glu_neg_3":"0","3D7_glu_pos_1":"174801.8438","3D7_glu_pos_2":"199225.1094","3D7_glu_pos_3":"104224.6797","M17_glu_neg_1":"138639.9531","M17_glu_neg_2":"0","M17_glu_neg_3":"287233.6563","M17_glu_pos_1":"121614.4609","M17_glu_pos_2":"155069.2188","M17_glu_pos_3":"363958.9375"},{"Metabolite":"Arg/Leu/Asp/Gly","3D7_glu_neg_1":"188147.5781","3D7_glu_neg_2":"403002.4063","3D7_glu_neg_3":"541995.125","3D7_glu_pos_1":"251478.75","3D7_glu_pos_2":"462541.1875","3D7_glu_pos_3":"0","M17_glu_neg_1":"340525","M17_glu_neg_2":"626085.875","M17_glu_neg_3":"363048.5","M17_glu_pos_1":"0","M17_glu_pos_2":"0","M17_glu_pos_3":"0"},{"Metabolite":"Arg/Leu/Lys/Asp","3D7_glu_neg_1":"101988.8906","3D7_glu_neg_2":"213701.9375","3D7_glu_neg_3":"245179.9531","3D7_glu_pos_1":"171554.5625","3D7_glu_pos_2":"212023.0938","3D7_glu_pos_3":"0","M17_glu_neg_1":"227877.2656","M17_glu_neg_2":"338641.5938","M17_glu_neg_3":"196352.4531","M17_glu_pos_1":"139170.6875","M17_glu_pos_2":"177357.4375","M17_glu_pos_3":"153190.75"},{"Metabolite":"Arg/Val/Val/Asp","3D7_glu_neg_1":"0","3D7_glu_neg_2":"59689","3D7_glu_neg_3":"134925.625","3D7_glu_pos_1":"41355.60156","3D7_glu_pos_2":"48313.69531","3D7_glu_pos_3":"0","M17_glu_neg_1":"108974.8203","M17_glu_neg_2":"197156.8125","M17_glu_neg_3":"98537.07031","M17_glu_pos_1":"59778.97266","M17_glu_pos_2":"101816.8125","M17_glu_pos_3":"64872.25"},{"Metabolite":"Arginine","3D7_glu_neg_1":"14300000","3D7_glu_neg_2":"26400000","3D7_glu_neg_3":"25200000","3D7_glu_pos_1":"18800000","3D7_glu_pos_2":"28000000","3D7_glu_pos_3":"7186886","M17_glu_neg_1":"19700000","M17_glu_neg_2":"24600000","M17_glu_neg_3":"18600000","M17_glu_pos_1":"16700000","M17_glu_pos_2":"19100000","M17_glu_pos_3":"18000000"},{"Metabolite":"Arg-OEt","3D7_glu_neg_1":"5225223","3D7_glu_neg_2":"9023314","3D7_glu_neg_3":"9192178","3D7_glu_pos_1":"7589821.5","3D7_glu_pos_2":"9481929","3D7_glu_pos_3":"141387.4375","M17_glu_neg_1":"8161041.5","M17_glu_neg_2":"7865212","M17_glu_neg_3":"6711913","M17_glu_pos_1":"1386615.5","M17_glu_pos_2":"1975435","M17_glu_pos_3":"1468003.5"},{"Metabolite":"ascr#11","3D7_glu_neg_1":"0","3D7_glu_neg_2":"35334.78125","3D7_glu_neg_3":"54317.0625","3D7_glu_pos_1":"29723.08984","3D7_glu_pos_2":"37536.40625","3D7_glu_pos_3":"0","M17_glu_neg_1":"29423.08789","M17_glu_neg_2":"55966.86719","M17_glu_neg_3":"41210.80469","M17_glu_pos_1":"269287.3438","M17_glu_pos_2":"300097.0625","M17_glu_pos_3":"297116.0313"},{"Metabolite":"Asn/Asn/Asp","3D7_glu_neg_1":"108275.5781","3D7_glu_neg_2":"166708.0625","3D7_glu_neg_3":"148831.5156","3D7_glu_pos_1":"96346.64063","3D7_glu_pos_2":"156252.9531","3D7_glu_pos_3":"0","M17_glu_neg_1":"117619.4063","M17_glu_neg_2":"140098.3594","M17_glu_neg_3":"100400.7109","M17_glu_pos_1":"205693.6563","M17_glu_pos_2":"268941.4688","M17_glu_pos_3":"265285.1563"},{"Metabolite":"Asn/Asn/Gly/Gly","3D7_glu_neg_1":"39924.14453","3D7_glu_neg_2":"109089.5703","3D7_glu_neg_3":"168668","3D7_glu_pos_1":"0","3D7_glu_pos_2":"104692.625","3D7_glu_pos_3":"0","M17_glu_neg_1":"130418.8203","M17_glu_neg_2":"199832.3125","M17_glu_neg_3":"119121.1875","M17_glu_pos_1":"163165.6719","M17_glu_pos_2":"120785.8828","M17_glu_pos_3":"80600.07813"},{"Metabolite":"Asn/Asn/Ser/Tyr","3D7_glu_neg_1":"149893.9844","3D7_glu_neg_2":"332444.7813","3D7_glu_neg_3":"228631.8906","3D7_glu_pos_1":"0","3D7_glu_pos_2":"408037.2813","3D7_glu_pos_3":"0","M17_glu_neg_1":"195519.1563","M17_glu_neg_2":"226321.3906","M17_glu_neg_3":"207997.3281","M17_glu_pos_1":"455525.4063","M17_glu_pos_2":"704267.4375","M17_glu_pos_3":"503986.375"},{"Metabolite":"Asn/Glu/Ile/Pro","3D7_glu_neg_1":"0","3D7_glu_neg_2":"97119.53125","3D7_glu_neg_3":"108606.1328","3D7_glu_pos_1":"33334.30078","3D7_glu_pos_2":"52276.51953","3D7_glu_pos_3":"0","M17_glu_neg_1":"56989.95703","M17_glu_neg_2":"83050.42969","M17_glu_neg_3":"38205.11328","M17_glu_pos_1":"295812.2813","M17_glu_pos_2":"347981.0938","M17_glu_pos_3":"392864.5625"},{"Metabolite":"Asn/Glu/Ile/Ser","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"546886.9375","M17_glu_pos_2":"956670.1875","M17_glu_pos_3":"708085.3125"},{"Metabolite":"Asn/Glu/Ile/Val","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"1240960","M17_glu_pos_2":"1686042.75","M17_glu_pos_3":"1611385.25"},{"Metabolite":"Asn/Gly/Pro/Pro","3D7_glu_neg_1":"354220.5625","3D7_glu_neg_2":"591983.625","3D7_glu_neg_3":"646277.625","3D7_glu_pos_1":"463897.1563","3D7_glu_pos_2":"607093.6875","3D7_glu_pos_3":"132364.7188","M17_glu_neg_1":"361035.7188","M17_glu_neg_2":"1057939.5","M17_glu_neg_3":"562803.8125","M17_glu_pos_1":"1885131.125","M17_glu_pos_2":"1942108.375","M17_glu_pos_3":"2091849"},{"Metabolite":"Asn/Leu/Asp/His","3D7_glu_neg_1":"26521.95508","3D7_glu_neg_2":"69395.73438","3D7_glu_neg_3":"138538.6875","3D7_glu_pos_1":"0","3D7_glu_pos_2":"117332.3828","3D7_glu_pos_3":"0","M17_glu_neg_1":"108202.1953","M17_glu_neg_2":"170931.6563","M17_glu_neg_3":"110889.1875","M17_glu_pos_1":"166876.0781","M17_glu_pos_2":"224955.7656","M17_glu_pos_3":"223131.3438"},{"Metabolite":"Asn/Leu/Lys/Asp","3D7_glu_neg_1":"65442.05859","3D7_glu_neg_2":"144986.2656","3D7_glu_neg_3":"194472.8438","3D7_glu_pos_1":"145982.7813","3D7_glu_pos_2":"181457","3D7_glu_pos_3":"64449.84375","M17_glu_neg_1":"122977.5625","M17_glu_neg_2":"274137.875","M17_glu_neg_3":"134176.7813","M17_glu_pos_1":"227155.2344","M17_glu_pos_2":"297831.2188","M17_glu_pos_3":"273996.125"},{"Metabolite":"Asn/Leu/Pro/Pro","3D7_glu_neg_1":"182908.5313","3D7_glu_neg_2":"452570.4688","3D7_glu_neg_3":"790148.5","3D7_glu_pos_1":"315655.25","3D7_glu_pos_2":"420886.1875","3D7_glu_pos_3":"60195.3125","M17_glu_neg_1":"401901.9375","M17_glu_neg_2":"1095276.375","M17_glu_neg_3":"654781.4375","M17_glu_pos_1":"1183215.375","M17_glu_pos_2":"1491991.125","M17_glu_pos_3":"1306045.125"},{"Metabolite":"Asn/Leu/Thr/Tyr","3D7_glu_neg_1":"154986.4688","3D7_glu_neg_2":"230097.4375","3D7_glu_neg_3":"372908.8438","3D7_glu_pos_1":"194230.1719","3D7_glu_pos_2":"201548.875","3D7_glu_pos_3":"0","M17_glu_neg_1":"367952.9688","M17_glu_neg_2":"390837.2188","M17_glu_neg_3":"423007.9688","M17_glu_pos_1":"291297.7813","M17_glu_pos_2":"381788.0313","M17_glu_pos_3":"317159.0938"},{"Metabolite":"Asn/Met/Met/Pro","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"78887.50781","3D7_glu_pos_1":"0","3D7_glu_pos_2":"63223.81641","3D7_glu_pos_3":"0","M17_glu_neg_1":"171526","M17_glu_neg_2":"211505.7344","M17_glu_neg_3":"156371.5156","M17_glu_pos_1":"611891.375","M17_glu_pos_2":"1059892.75","M17_glu_pos_3":"810460.6875"},{"Metabolite":"Asp/Asp/Gln/Pro","3D7_glu_neg_1":"92902.875","3D7_glu_neg_2":"138735.8594","3D7_glu_neg_3":"142228.5625","3D7_glu_pos_1":"89499.00781","3D7_glu_pos_2":"130264.6094","3D7_glu_pos_3":"0","M17_glu_neg_1":"111040.9219","M17_glu_neg_2":"83969.55469","M17_glu_neg_3":"69259.19531","M17_glu_pos_1":"30521.5293","M17_glu_pos_2":"53604.19922","M17_glu_pos_3":"39619.64063"},{"Metabolite":"Asp/Asp/Glu/Ile/Thr","3D7_glu_neg_1":"2021390.75","3D7_glu_neg_2":"4113110.75","3D7_glu_neg_3":"30942.81445","3D7_glu_pos_1":"3031027","3D7_glu_pos_2":"4085405.25","3D7_glu_pos_3":"1140530","M17_glu_neg_1":"3325771.75","M17_glu_neg_2":"0","M17_glu_neg_3":"5341884.5","M17_glu_pos_1":"1484071","M17_glu_pos_2":"1401219.875","M17_glu_pos_3":"3811810.75"},{"Metabolite":"Asp/Asp/Gly","3D7_glu_neg_1":"136830.1406","3D7_glu_neg_2":"266011.0938","3D7_glu_neg_3":"213830.5469","3D7_glu_pos_1":"216556.7031","3D7_glu_pos_2":"488583.9375","3D7_glu_pos_3":"81231.71875","M17_glu_neg_1":"174670.7969","M17_glu_neg_2":"218072.2344","M17_glu_neg_3":"135207.0313","M17_glu_pos_1":"169612.1875","M17_glu_pos_2":"169342.1719","M17_glu_pos_3":"154324.75"},{"Metabolite":"Asp/Cys/Cys/Ser","3D7_glu_neg_1":"121693.6563","3D7_glu_neg_2":"138754.2188","3D7_glu_neg_3":"112805.6719","3D7_glu_pos_1":"86882.85156","3D7_glu_pos_2":"213784.1563","3D7_glu_pos_3":"119209.7188","M17_glu_neg_1":"65843.98438","M17_glu_neg_2":"96981.36719","M17_glu_neg_3":"70432.33594","M17_glu_pos_1":"35183.1875","M17_glu_pos_2":"47288.37109","M17_glu_pos_3":"80972.72656"},{"Metabolite":"Asp/Gly/Gly/Pro","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"304540.6875","M17_glu_pos_2":"336804.9375","M17_glu_pos_3":"324581.625"},{"Metabolite":"Asp/His/Ile/Asn/Arg","3D7_glu_neg_1":"739925.875","3D7_glu_neg_2":"453596.5","3D7_glu_neg_3":"573038.3125","3D7_glu_pos_1":"550834.875","3D7_glu_pos_2":"575739.3125","3D7_glu_pos_3":"698293.3125","M17_glu_neg_1":"611589.6875","M17_glu_neg_2":"496246","M17_glu_neg_3":"803197.25","M17_glu_pos_1":"934247.0625","M17_glu_pos_2":"725402.125","M17_glu_pos_3":"677289.4375"},{"Metabolite":"Asp/His/Ile/Val/Trp","3D7_glu_neg_1":"5832614.5","3D7_glu_neg_2":"6503899","3D7_glu_neg_3":"6248935","3D7_glu_pos_1":"4602792","3D7_glu_pos_2":"3828138.5","3D7_glu_pos_3":"10800000","M17_glu_neg_1":"10800000","M17_glu_neg_2":"14200000","M17_glu_neg_3":"12300000","M17_glu_pos_1":"11700000","M17_glu_pos_2":"11900000","M17_glu_pos_3":"10500000"},{"Metabolite":"Asp/His/Met/Pro/Arg","3D7_glu_neg_1":"43978.63672","3D7_glu_neg_2":"573128.4375","3D7_glu_neg_3":"490805.8125","3D7_glu_pos_1":"454189.9375","3D7_glu_pos_2":"674062","3D7_glu_pos_3":"73701.25","M17_glu_neg_1":"252875.6406","M17_glu_neg_2":"462478.3438","M17_glu_neg_3":"245244.0313","M17_glu_pos_1":"895286.375","M17_glu_pos_2":"1182505.375","M17_glu_pos_3":"860610"},{"Metabolite":"Asp/His/Pro/Ser/Thr","3D7_glu_neg_1":"103289.0313","3D7_glu_neg_2":"182965.2813","3D7_glu_neg_3":"337042.8438","3D7_glu_pos_1":"149474.7188","3D7_glu_pos_2":"183300.0625","3D7_glu_pos_3":"0","M17_glu_neg_1":"183942.4219","M17_glu_neg_2":"306847.125","M17_glu_neg_3":"168713.1094","M17_glu_pos_1":"90113.07031","M17_glu_pos_2":"108231.4141","M17_glu_pos_3":"98286.28906"},{"Metabolite":"Asp/Lys/Lys/Arg/Trp","3D7_glu_neg_1":"2408042.75","3D7_glu_neg_2":"2666550.25","3D7_glu_neg_3":"2415851.75","3D7_glu_pos_1":"2516517.5","3D7_glu_pos_2":"2045812.25","3D7_glu_pos_3":"2665112.5","M17_glu_neg_1":"3022052.75","M17_glu_neg_2":"2782796.75","M17_glu_neg_3":"3345289","M17_glu_pos_1":"2370603.25","M17_glu_pos_2":"2880836.5","M17_glu_pos_3":"2552398.75"},{"Metabolite":"Asp/Lys/Lys/Asp","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"589592.625","M17_glu_pos_2":"968883.25","M17_glu_pos_3":"637394.375"},{"Metabolite":"Asp/Met/Met/Arg/Tyr","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"330391.4375","M17_glu_pos_2":"513571.4375","M17_glu_pos_3":"405069.5313"},{"Metabolite":"Asp/Phe/Gln/Pro","3D7_glu_neg_1":"144752.6406","3D7_glu_neg_2":"325411.5313","3D7_glu_neg_3":"330777.9063","3D7_glu_pos_1":"226809.9375","3D7_glu_pos_2":"414895.6875","3D7_glu_pos_3":"90344.14063","M17_glu_neg_1":"244031.4844","M17_glu_neg_2":"402077.5625","M17_glu_neg_3":"211653.2969","M17_glu_pos_1":"794413.625","M17_glu_pos_2":"1062539.25","M17_glu_pos_3":"945555.9375"},{"Metabolite":"Asp/Phe/Phe/Gly/Arg","3D7_glu_neg_1":"7521483","3D7_glu_neg_2":"7871348.5","3D7_glu_neg_3":"7716754","3D7_glu_pos_1":"6086077.5","3D7_glu_pos_2":"3674014","3D7_glu_pos_3":"9984640","M17_glu_neg_1":"9859440","M17_glu_neg_2":"12000000","M17_glu_neg_3":"11900000","M17_glu_pos_1":"11500000","M17_glu_pos_2":"11800000","M17_glu_pos_3":"10600000"},{"Metabolite":"Asp/Phe/Phe/Ile/Arg","3D7_glu_neg_1":"3730628","3D7_glu_neg_2":"3609912.75","3D7_glu_neg_3":"3903840","3D7_glu_pos_1":"3461674.25","3D7_glu_pos_2":"2237220","3D7_glu_pos_3":"6865929.5","M17_glu_neg_1":"7201704","M17_glu_neg_2":"9847607","M17_glu_neg_3":"9474068","M17_glu_pos_1":"7866952","M17_glu_pos_2":"8961952","M17_glu_pos_3":"8295427.5"},{"Metabolite":"Asp/Phe/Pro/His","3D7_glu_neg_1":"113068","3D7_glu_neg_2":"193494.9844","3D7_glu_neg_3":"239308.3594","3D7_glu_pos_1":"83411.04688","3D7_glu_pos_2":"214679.625","3D7_glu_pos_3":"0","M17_glu_neg_1":"166448.6406","M17_glu_neg_2":"353420","M17_glu_neg_3":"188334.9688","M17_glu_pos_1":"590152.8125","M17_glu_pos_2":"742912.125","M17_glu_pos_3":"700408"},{"Metabolite":"Asp/Val/Gly/Ser","3D7_glu_neg_1":"48863.82813","3D7_glu_neg_2":"86673.13281","3D7_glu_neg_3":"96882.91406","3D7_glu_pos_1":"55262.66797","3D7_glu_pos_2":"99517.85938","3D7_glu_pos_3":"33757.07031","M17_glu_neg_1":"84568.94531","M17_glu_neg_2":"89742.875","M17_glu_neg_3":"40217.42188","M17_glu_pos_1":"285018.0938","M17_glu_pos_2":"340270.3438","M17_glu_pos_3":"311787"},{"Metabolite":"Asp/Val/Pro/Ser","3D7_glu_neg_1":"2757856","3D7_glu_neg_2":"4578171","3D7_glu_neg_3":"4948943","3D7_glu_pos_1":"3925054.5","3D7_glu_pos_2":"4620804","3D7_glu_pos_3":"567326.625","M17_glu_neg_1":"4121190","M17_glu_neg_2":"4441933","M17_glu_neg_3":"3693306.25","M17_glu_pos_1":"5294204","M17_glu_pos_2":"5996828","M17_glu_pos_3":"5451375"},{"Metabolite":"Asparagine","3D7_glu_neg_1":"5518143","3D7_glu_neg_2":"15700000","3D7_glu_neg_3":"13400000","3D7_glu_pos_1":"12900000","3D7_glu_pos_2":"17500000","3D7_glu_pos_3":"9674582","M17_glu_neg_1":"9132524","M17_glu_neg_2":"10100000","M17_glu_neg_3":"9314592","M17_glu_pos_1":"6342505.5","M17_glu_pos_2":"7693195.5","M17_glu_pos_3":"5774492.5"},{"Metabolite":"Asparaginyl-Arginine","3D7_glu_neg_1":"1444211.25","3D7_glu_neg_2":"2890337.75","3D7_glu_neg_3":"4383889","3D7_glu_pos_1":"1568246.25","3D7_glu_pos_2":"2741118","3D7_glu_pos_3":"0","M17_glu_neg_1":"3359322.25","M17_glu_neg_2":"4676569","M17_glu_neg_3":"3585451.25","M17_glu_pos_1":"1131705.375","M17_glu_pos_2":"1691605.625","M17_glu_pos_3":"1360784.375"},{"Metabolite":"Asparaginyl-Asparagine","3D7_glu_neg_1":"2262205.75","3D7_glu_neg_2":"5578528","3D7_glu_neg_3":"6396871","3D7_glu_pos_1":"2908113.5","3D7_glu_pos_2":"5751434","3D7_glu_pos_3":"0","M17_glu_neg_1":"3754123.75","M17_glu_neg_2":"5049000","M17_glu_neg_3":"4006832","M17_glu_pos_1":"1990550.875","M17_glu_pos_2":"2753036","M17_glu_pos_3":"2028489.875"},{"Metabolite":"Asparaginyl-Aspartic acid","3D7_glu_neg_1":"1256530.375","3D7_glu_neg_2":"1497918.125","3D7_glu_neg_3":"1852312.375","3D7_glu_pos_1":"1681370.75","3D7_glu_pos_2":"1385209.125","3D7_glu_pos_3":"160976.1406","M17_glu_neg_1":"1535112","M17_glu_neg_2":"1323635.125","M17_glu_neg_3":"1090255.5","M17_glu_pos_1":"2972133.5","M17_glu_pos_2":"4005520","M17_glu_pos_3":"3588020.25"},{"Metabolite":"Asparaginyl-Proline","3D7_glu_neg_1":"5886228","3D7_glu_neg_2":"14000000","3D7_glu_neg_3":"14900000","3D7_glu_pos_1":"7945946.5","3D7_glu_pos_2":"14100000","3D7_glu_pos_3":"233663.1406","M17_glu_neg_1":"16800000","M17_glu_neg_2":"19600000","M17_glu_neg_3":"14700000","M17_glu_pos_1":"132000000","M17_glu_pos_2":"171000000","M17_glu_pos_3":"139000000"},{"Metabolite":"Asparaginyl-Serine","3D7_glu_neg_1":"578842.375","3D7_glu_neg_2":"1411601","3D7_glu_neg_3":"1729801.5","3D7_glu_pos_1":"790430.6875","3D7_glu_pos_2":"1564001.375","3D7_glu_pos_3":"0","M17_glu_neg_1":"1246106.75","M17_glu_neg_2":"1762687.5","M17_glu_neg_3":"1200107.125","M17_glu_pos_1":"610331.3125","M17_glu_pos_2":"878051.375","M17_glu_pos_3":"687310.25"},{"Metabolite":"Asparaginyl-Tyrosine","3D7_glu_neg_1":"214959.8594","3D7_glu_neg_2":"572677.5625","3D7_glu_neg_3":"711186.25","3D7_glu_pos_1":"255394.1719","3D7_glu_pos_2":"548979","3D7_glu_pos_3":"0","M17_glu_neg_1":"331477.5625","M17_glu_neg_2":"821582.5","M17_glu_neg_3":"574395.875","M17_glu_pos_1":"319481.5938","M17_glu_pos_2":"455293.6563","M17_glu_pos_3":"343656.5313"},{"Metabolite":"Aspartyl-Arginine","3D7_glu_neg_1":"189918.0625","3D7_glu_neg_2":"325796.0625","3D7_glu_neg_3":"345885.25","3D7_glu_pos_1":"255654.5938","3D7_glu_pos_2":"468035.9375","3D7_glu_pos_3":"59569.69141","M17_glu_neg_1":"344616.5625","M17_glu_neg_2":"323768.7813","M17_glu_neg_3":"220141.2344","M17_glu_pos_1":"103184.2188","M17_glu_pos_2":"131968.7188","M17_glu_pos_3":"112563.6406"},{"Metabolite":"Aspartyl-Aspartate","3D7_glu_neg_1":"708459.125","3D7_glu_neg_2":"1048016.063","3D7_glu_neg_3":"982958.375","3D7_glu_pos_1":"739079","3D7_glu_pos_2":"1111589.5","3D7_glu_pos_3":"87773.96875","M17_glu_neg_1":"941779","M17_glu_neg_2":"1151570.75","M17_glu_neg_3":"850602.6875","M17_glu_pos_1":"2871503.5","M17_glu_pos_2":"3393430.75","M17_glu_pos_3":"3073804.75"},{"Metabolite":"Aspartyl-L-proline","3D7_glu_neg_1":"22100000","3D7_glu_neg_2":"36400000","3D7_glu_neg_3":"38800000","3D7_glu_pos_1":"30500000","3D7_glu_pos_2":"39900000","3D7_glu_pos_3":"1093627","M17_glu_neg_1":"102000000","M17_glu_neg_2":"106000000","M17_glu_neg_3":"89400000","M17_glu_pos_1":"265000000","M17_glu_pos_2":"321000000","M17_glu_pos_3":"280000000"},{"Metabolite":"Avenic acid A","3D7_glu_neg_1":"115556.9531","3D7_glu_neg_2":"207919.7969","3D7_glu_neg_3":"221788.4063","3D7_glu_pos_1":"517045.0313","3D7_glu_pos_2":"602718.5","3D7_glu_pos_3":"258457.125","M17_glu_neg_1":"253083.5625","M17_glu_neg_2":"185735.5","M17_glu_neg_3":"172709.5781","M17_glu_pos_1":"616229.625","M17_glu_pos_2":"529824.8125","M17_glu_pos_3":"581672.4375"},{"Metabolite":"benzalkonium","3D7_glu_neg_1":"191508.9063","3D7_glu_neg_2":"192381","3D7_glu_neg_3":"266970.6563","3D7_glu_pos_1":"260688.4844","3D7_glu_pos_2":"288565.125","3D7_glu_pos_3":"378595.4063","M17_glu_neg_1":"247741.5","M17_glu_neg_2":"251662.8906","M17_glu_neg_3":"381068.4375","M17_glu_pos_1":"546080.375","M17_glu_pos_2":"454350.8125","M17_glu_pos_3":"311641.5938"},{"Metabolite":"Benzofuran","3D7_glu_neg_1":"839768.3125","3D7_glu_neg_2":"1322542","3D7_glu_neg_3":"0","3D7_glu_pos_1":"1325222.75","3D7_glu_pos_2":"797047.375","3D7_glu_pos_3":"162576.5156","M17_glu_neg_1":"473242.1875","M17_glu_neg_2":"22046.98828","M17_glu_neg_3":"1454106.375","M17_glu_pos_1":"365516.2813","M17_glu_pos_2":"527391","M17_glu_pos_3":"1875002"},{"Metabolite":"beta-Alanyl-L-arginine","3D7_glu_neg_1":"39914.87109","3D7_glu_neg_2":"75749.14844","3D7_glu_neg_3":"121577.2422","3D7_glu_pos_1":"48363.47266","3D7_glu_pos_2":"98438.375","3D7_glu_pos_3":"0","M17_glu_neg_1":"129149.0859","M17_glu_neg_2":"281115.4063","M17_glu_neg_3":"193705.2656","M17_glu_pos_1":"281982.5313","M17_glu_pos_2":"338506.9063","M17_glu_pos_3":"262254.4688"},{"Metabolite":"beta-Alanyl-L-lysine","3D7_glu_neg_1":"101011.3828","3D7_glu_neg_2":"247834.1406","3D7_glu_neg_3":"384041.375","3D7_glu_pos_1":"124991.2891","3D7_glu_pos_2":"229699.7031","3D7_glu_pos_3":"0","M17_glu_neg_1":"380661.2813","M17_glu_neg_2":"701637.4375","M17_glu_neg_3":"425225.5625","M17_glu_pos_1":"315224.9375","M17_glu_pos_2":"479503.4688","M17_glu_pos_3":"376111.375"},{"Metabolite":"beta-aspartyl-L-alanine","3D7_glu_neg_1":"758733.75","3D7_glu_neg_2":"1137675","3D7_glu_neg_3":"1164622.5","3D7_glu_pos_1":"864416.4375","3D7_glu_pos_2":"1083532.875","3D7_glu_pos_3":"70478.48438","M17_glu_neg_1":"1097426.375","M17_glu_neg_2":"814604.125","M17_glu_neg_3":"774260.9375","M17_glu_pos_1":"3069894.25","M17_glu_pos_2":"4023166.5","M17_glu_pos_3":"3306781.25"},{"Metabolite":"beta-aspartyl-L-glutamic acid","3D7_glu_neg_1":"337121.6563","3D7_glu_neg_2":"522879.2813","3D7_glu_neg_3":"626477.9375","3D7_glu_pos_1":"362105.4375","3D7_glu_pos_2":"626720.9375","3D7_glu_pos_3":"81789.75","M17_glu_neg_1":"493604.7188","M17_glu_neg_2":"613094.5625","M17_glu_neg_3":"439087.25","M17_glu_pos_1":"756663.8125","M17_glu_pos_2":"843909.125","M17_glu_pos_3":"903185"},{"Metabolite":"beta-aspartyl-L-leucine","3D7_glu_neg_1":"426152.0313","3D7_glu_neg_2":"1206129.5","3D7_glu_neg_3":"1268875.625","3D7_glu_pos_1":"539204.1875","3D7_glu_pos_2":"1031241.625","3D7_glu_pos_3":"161353.9844","M17_glu_neg_1":"985199.6875","M17_glu_neg_2":"1448800.375","M17_glu_neg_3":"801168.3125","M17_glu_pos_1":"2937450.25","M17_glu_pos_2":"3968422.75","M17_glu_pos_3":"3293019.5"},{"Metabolite":"Beta-Citryl-L-glutamic acid","3D7_glu_neg_1":"124714.7266","3D7_glu_neg_2":"219462.5938","3D7_glu_neg_3":"131863.0469","3D7_glu_pos_1":"91547.60938","3D7_glu_pos_2":"443601.1875","3D7_glu_pos_3":"46570.8125","M17_glu_neg_1":"109351.1719","M17_glu_neg_2":"139360.8438","M17_glu_neg_3":"111259.2031","M17_glu_pos_1":"86692.99219","M17_glu_pos_2":"93961.10938","M17_glu_pos_3":"110850.1172"},{"Metabolite":"Bretylium","3D7_glu_neg_1":"0","3D7_glu_neg_2":"50160.38672","3D7_glu_neg_3":"41221.40234","3D7_glu_pos_1":"24091.49609","3D7_glu_pos_2":"52969.80078","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"40654.19922","M17_glu_neg_3":"0","M17_glu_pos_1":"273144.2188","M17_glu_pos_2":"301896.8125","M17_glu_pos_3":"280556.8125"},{"Metabolite":"Brugine","3D7_glu_neg_1":"176515.9688","3D7_glu_neg_2":"342057.9063","3D7_glu_neg_3":"284067.7188","3D7_glu_pos_1":"650026.5625","3D7_glu_pos_2":"635873.3125","3D7_glu_pos_3":"1028211.438","M17_glu_neg_1":"512178.5625","M17_glu_neg_2":"364490.75","M17_glu_neg_3":"282493.8125","M17_glu_pos_1":"371364.7813","M17_glu_pos_2":"401698.1875","M17_glu_pos_3":"333802.625"},{"Metabolite":"Brunfelsamidine","3D7_glu_neg_1":"24197.07813","3D7_glu_neg_2":"62946.71094","3D7_glu_neg_3":"81636.16406","3D7_glu_pos_1":"76858.85938","3D7_glu_pos_2":"50368.38281","3D7_glu_pos_3":"20897.54297","M17_glu_neg_1":"56520.41797","M17_glu_neg_2":"83279.29688","M17_glu_neg_3":"47232.14063","M17_glu_pos_1":"97527.61719","M17_glu_pos_2":"105145.1016","M17_glu_pos_3":"112484.4453"},{"Metabolite":"Caffeoylferuloylspermidine","3D7_glu_neg_1":"59027.30078","3D7_glu_neg_2":"274892.4063","3D7_glu_neg_3":"386037.3438","3D7_glu_pos_1":"136973.0469","3D7_glu_pos_2":"338170.8438","3D7_glu_pos_3":"0","M17_glu_neg_1":"234122.8125","M17_glu_neg_2":"483711.125","M17_glu_neg_3":"309507.8125","M17_glu_pos_1":"2095917.5","M17_glu_pos_2":"3093459","M17_glu_pos_3":"2290345.75"},{"Metabolite":"Callyspongenol D","3D7_glu_neg_1":"443203.9063","3D7_glu_neg_2":"269999.7188","3D7_glu_neg_3":"252556.9219","3D7_glu_pos_1":"379415.4375","3D7_glu_pos_2":"268332.9375","3D7_glu_pos_3":"335947.7813","M17_glu_neg_1":"226227.1563","M17_glu_neg_2":"378570.8438","M17_glu_neg_3":"347491","M17_glu_pos_1":"336710.9688","M17_glu_pos_2":"278082.0313","M17_glu_pos_3":"480984.3438"},{"Metabolite":"Carnitinamide","3D7_glu_neg_1":"67155.97656","3D7_glu_neg_2":"119096.7031","3D7_glu_neg_3":"115865.5469","3D7_glu_pos_1":"112617.0469","3D7_glu_pos_2":"142856.5156","3D7_glu_pos_3":"31293.125","M17_glu_neg_1":"102923.0938","M17_glu_neg_2":"120611.8203","M17_glu_neg_3":"100059.4922","M17_glu_pos_1":"79339.29688","M17_glu_pos_2":"109447.1328","M17_glu_pos_3":"69969.69531"},{"Metabolite":"Carnitine","3D7_glu_neg_1":"307071.5","3D7_glu_neg_2":"477962.75","3D7_glu_neg_3":"485624.6875","3D7_glu_pos_1":"719681.5625","3D7_glu_pos_2":"804310.8125","3D7_glu_pos_3":"1537129.25","M17_glu_neg_1":"875749.5","M17_glu_neg_2":"749552.4375","M17_glu_neg_3":"558992.8125","M17_glu_pos_1":"777881.625","M17_glu_pos_2":"1002696.313","M17_glu_pos_3":"891339.4375"},{"Metabolite":"CDP-Ethanolamine","3D7_glu_neg_1":"1165121.125","3D7_glu_neg_2":"2165410","3D7_glu_neg_3":"2137613.5","3D7_glu_pos_1":"1602009.875","3D7_glu_pos_2":"1850517.25","3D7_glu_pos_3":"668806.3125","M17_glu_neg_1":"1826085.125","M17_glu_neg_2":"1685358.125","M17_glu_neg_3":"1556505.875","M17_glu_pos_1":"1317767.875","M17_glu_pos_2":"1662346.75","M17_glu_pos_3":"1253632.25"},{"Metabolite":"CDP-glucose","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"426494.375","3D7_glu_pos_2":"408613.8125","3D7_glu_pos_3":"145779.1719","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"353776.5625","M17_glu_pos_2":"487600.125","M17_glu_pos_3":"441449.3125"},{"Metabolite":"Cer(d18:1/24:1)","3D7_glu_neg_1":"1124757.75","3D7_glu_neg_2":"1677265.5","3D7_glu_neg_3":"1627412.5","3D7_glu_pos_1":"1656285.375","3D7_glu_pos_2":"1898088.5","3D7_glu_pos_3":"1258352.25","M17_glu_neg_1":"1640611.875","M17_glu_neg_2":"1921797.125","M17_glu_neg_3":"1508210.125","M17_glu_pos_1":"1512338.5","M17_glu_pos_2":"1867513.875","M17_glu_pos_3":"1593748.25"},{"Metabolite":"CHAPS","3D7_glu_neg_1":"16300000","3D7_glu_neg_2":"15500000","3D7_glu_neg_3":"16200000","3D7_glu_pos_1":"15100000","3D7_glu_pos_2":"13400000","3D7_glu_pos_3":"14700000","M17_glu_neg_1":"16200000","M17_glu_neg_2":"16200000","M17_glu_neg_3":"17000000","M17_glu_pos_1":"16400000","M17_glu_pos_2":"15900000","M17_glu_pos_3":"16000000"},{"Metabolite":"Choline","3D7_glu_neg_1":"2464567.75","3D7_glu_neg_2":"5821790.5","3D7_glu_neg_3":"4704820","3D7_glu_pos_1":"8955541","3D7_glu_pos_2":"9352012","3D7_glu_pos_3":"3222453.5","M17_glu_neg_1":"2205984","M17_glu_neg_2":"1772816.75","M17_glu_neg_3":"1707013.375","M17_glu_pos_1":"6649161.5","M17_glu_pos_2":"9604347","M17_glu_pos_3":"5490185"},{"Metabolite":"Citicoline","3D7_glu_neg_1":"1519402.875","3D7_glu_neg_2":"2235032.25","3D7_glu_neg_3":"2364417.5","3D7_glu_pos_1":"2137609.25","3D7_glu_pos_2":"2480724","3D7_glu_pos_3":"585073.375","M17_glu_neg_1":"1912494.5","M17_glu_neg_2":"1964629.375","M17_glu_neg_3":"1691788.375","M17_glu_pos_1":"1883763","M17_glu_pos_2":"2554255.75","M17_glu_pos_3":"1696854.625"},{"Metabolite":"Citrulline","3D7_glu_neg_1":"479051.5","3D7_glu_neg_2":"527617","3D7_glu_neg_3":"537303.375","3D7_glu_pos_1":"1283154.375","3D7_glu_pos_2":"1229121.125","3D7_glu_pos_3":"2381557.5","M17_glu_neg_1":"1223792.625","M17_glu_neg_2":"838763.9375","M17_glu_neg_3":"762565.5625","M17_glu_pos_1":"1181674.5","M17_glu_pos_2":"1398740.25","M17_glu_pos_3":"1120492.75"},{"Metabolite":"CMP-2-aminoethylphosphonate","3D7_glu_neg_1":"185646.9375","3D7_glu_neg_2":"312220.9688","3D7_glu_neg_3":"280327.9375","3D7_glu_pos_1":"326739.9688","3D7_glu_pos_2":"413635.0313","3D7_glu_pos_3":"129778.3125","M17_glu_neg_1":"350308.5313","M17_glu_neg_2":"263982.9688","M17_glu_neg_3":"275850.25","M17_glu_pos_1":"259475.2969","M17_glu_pos_2":"279404.4063","M17_glu_pos_3":"254464.4531"},{"Metabolite":"CMP-N-trimethyl-2-aminoethylphosphonate","3D7_glu_neg_1":"627061.875","3D7_glu_neg_2":"1137596.25","3D7_glu_neg_3":"1212107.75","3D7_glu_pos_1":"1205094.125","3D7_glu_pos_2":"1293010.25","3D7_glu_pos_3":"542990.25","M17_glu_neg_1":"1032275.5","M17_glu_neg_2":"1037612.188","M17_glu_neg_3":"792960.1875","M17_glu_pos_1":"996397.875","M17_glu_pos_2":"1171674","M17_glu_pos_3":"1062880"},{"Metabolite":"Coformycin","3D7_glu_neg_1":"1526428.875","3D7_glu_neg_2":"2864279","3D7_glu_neg_3":"3825506","3D7_glu_pos_1":"2100367","3D7_glu_pos_2":"2914261","3D7_glu_pos_3":"0","M17_glu_neg_1":"2802828","M17_glu_neg_2":"2825226.25","M17_glu_neg_3":"1946260","M17_glu_pos_1":"3851415","M17_glu_pos_2":"4789270","M17_glu_pos_3":"4512388"},{"Metabolite":"Cohibin C","3D7_glu_neg_1":"2756418.75","3D7_glu_neg_2":"3909531.5","3D7_glu_neg_3":"4714962","3D7_glu_pos_1":"3444835.5","3D7_glu_pos_2":"4308099.5","3D7_glu_pos_3":"1287764.875","M17_glu_neg_1":"3562928","M17_glu_neg_2":"4182527","M17_glu_neg_3":"3798783","M17_glu_pos_1":"4344885.5","M17_glu_pos_2":"4842845.5","M17_glu_pos_3":"4579305.5"},{"Metabolite":"Creatine","3D7_glu_neg_1":"8705603","3D7_glu_neg_2":"13500000","3D7_glu_neg_3":"11200000","3D7_glu_pos_1":"24700000","3D7_glu_pos_2":"31100000","3D7_glu_pos_3":"47000000","M17_glu_neg_1":"34400000","M17_glu_neg_2":"23400000","M17_glu_neg_3":"20800000","M17_glu_pos_1":"26700000","M17_glu_pos_2":"35400000","M17_glu_pos_3":"22400000"},{"Metabolite":"Creatinine","3D7_glu_neg_1":"152552.6563","3D7_glu_neg_2":"183937.0469","3D7_glu_neg_3":"193863.0469","3D7_glu_pos_1":"353643.2813","3D7_glu_pos_2":"356587.6563","3D7_glu_pos_3":"673778.625","M17_glu_neg_1":"468198.7813","M17_glu_neg_2":"309963.0313","M17_glu_neg_3":"304998.9688","M17_glu_pos_1":"318884.9063","M17_glu_pos_2":"520617.8125","M17_glu_pos_3":"337908.4375"},{"Metabolite":"cyclic dehypoxanthinylfutalosine","3D7_glu_neg_1":"0","3D7_glu_neg_2":"50439.75781","3D7_glu_neg_3":"102475.9219","3D7_glu_pos_1":"0","3D7_glu_pos_2":"53301.21484","3D7_glu_pos_3":"0","M17_glu_neg_1":"57946.05078","M17_glu_neg_2":"127712.0547","M17_glu_neg_3":"90544.32031","M17_glu_pos_1":"278372.4063","M17_glu_pos_2":"431015.1563","M17_glu_pos_3":"334402.0313"},{"Metabolite":"cyclic GMP-AMP","3D7_glu_neg_1":"738859.375","3D7_glu_neg_2":"611120.9375","3D7_glu_neg_3":"816990.75","3D7_glu_pos_1":"691088.625","3D7_glu_pos_2":"608725.6875","3D7_glu_pos_3":"536492.75","M17_glu_neg_1":"721586.625","M17_glu_neg_2":"627213.875","M17_glu_neg_3":"598122.75","M17_glu_pos_1":"989763.4375","M17_glu_pos_2":"1168253.5","M17_glu_pos_3":"785936.8125"},{"Metabolite":"Cys/Asn/Asn/Arg/Ser","3D7_glu_neg_1":"0","3D7_glu_neg_2":"180189.4063","3D7_glu_neg_3":"178987.6875","3D7_glu_pos_1":"50994.15234","3D7_glu_pos_2":"191287.2031","3D7_glu_pos_3":"0","M17_glu_neg_1":"136669.8438","M17_glu_neg_2":"171058.8281","M17_glu_neg_3":"114821.875","M17_glu_pos_1":"103987.3984","M17_glu_pos_2":"137508.4063","M17_glu_pos_3":"114020.9766"},{"Metabolite":"Cys/Cys/Asp/Asp/Phe","3D7_glu_neg_1":"0","3D7_glu_neg_2":"49129.80469","3D7_glu_neg_3":"61397.38281","3D7_glu_pos_1":"39020.83984","3D7_glu_pos_2":"49991.78125","3D7_glu_pos_3":"0","M17_glu_neg_1":"57889.09766","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"324497.9375","M17_glu_pos_2":"500355.3438","M17_glu_pos_3":"359647.1563"},{"Metabolite":"Cys/Gly/Lys/Ser/Tyr","3D7_glu_neg_1":"0","3D7_glu_neg_2":"128424.5859","3D7_glu_neg_3":"165071.2344","3D7_glu_pos_1":"51429.62891","3D7_glu_pos_2":"168743.7031","3D7_glu_pos_3":"0","M17_glu_neg_1":"70602.21094","M17_glu_neg_2":"218140.5313","M17_glu_neg_3":"113104.4453","M17_glu_pos_1":"355850.2813","M17_glu_pos_2":"521415.75","M17_glu_pos_3":"447260.1875"},{"Metabolite":"Cys/Gly/Pro","3D7_glu_neg_1":"265673.3125","3D7_glu_neg_2":"281449.4063","3D7_glu_neg_3":"340444.8438","3D7_glu_pos_1":"501838","3D7_glu_pos_2":"459264.2813","3D7_glu_pos_3":"935188.1875","M17_glu_neg_1":"606643.625","M17_glu_neg_2":"513571.0625","M17_glu_neg_3":"342587","M17_glu_pos_1":"529397.5625","M17_glu_pos_2":"433277.2813","M17_glu_pos_3":"398485.6875"},{"Metabolite":"Cys/Gly/Trp/Trp/Trp","3D7_glu_neg_1":"307451.3125","3D7_glu_neg_2":"6097690.5","3D7_glu_neg_3":"4808683.5","3D7_glu_pos_1":"4827305.5","3D7_glu_pos_2":"9075855","3D7_glu_pos_3":"6928554","M17_glu_neg_1":"1994594.125","M17_glu_neg_2":"3539606.75","M17_glu_neg_3":"2576480","M17_glu_pos_1":"6797911.5","M17_glu_pos_2":"7647489.5","M17_glu_pos_3":"6887433.5"},{"Metabolite":"Cys/His/Ile/Ile/Lys","3D7_glu_neg_1":"3459680","3D7_glu_neg_2":"3181619","3D7_glu_neg_3":"3067860.5","3D7_glu_pos_1":"3676823.75","3D7_glu_pos_2":"2860835.75","3D7_glu_pos_3":"2947793.25","M17_glu_neg_1":"3060926.25","M17_glu_neg_2":"3713999.75","M17_glu_neg_3":"3149692.25","M17_glu_pos_1":"2879049","M17_glu_pos_2":"2917687.5","M17_glu_pos_3":"3229434"},{"Metabolite":"Cys/His/Pro/Gln/Thr","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"538754.9375","M17_glu_pos_2":"378067.4688","M17_glu_pos_3":"399084.7188"},{"Metabolite":"Cys/Leu/Met/Pro","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"1509933.375","M17_glu_pos_2":"1831190.5","M17_glu_pos_3":"1829847.5"},{"Metabolite":"Cys/Lys/Thr/Thr/Thr","3D7_glu_neg_1":"101821.1016","3D7_glu_neg_2":"280175.9688","3D7_glu_neg_3":"496370.0313","3D7_glu_pos_1":"142771.4375","3D7_glu_pos_2":"208118.6094","3D7_glu_pos_3":"0","M17_glu_neg_1":"375889.625","M17_glu_neg_2":"642320.75","M17_glu_neg_3":"414429.5","M17_glu_pos_1":"433417.5938","M17_glu_pos_2":"522340.1563","M17_glu_pos_3":"433434.0625"},{"Metabolite":"Cysteinosuccinic acid","3D7_glu_neg_1":"84781.44531","3D7_glu_neg_2":"151017.6719","3D7_glu_neg_3":"175945.5938","3D7_glu_pos_1":"142103.9219","3D7_glu_pos_2":"208886.8594","3D7_glu_pos_3":"86966.58594","M17_glu_neg_1":"131556.2656","M17_glu_neg_2":"122479.7891","M17_glu_neg_3":"93962.77344","M17_glu_pos_1":"76482.40625","M17_glu_pos_2":"79652.26563","M17_glu_pos_3":"76408.29688"},{"Metabolite":"Cytidine","3D7_glu_neg_1":"386736.2188","3D7_glu_neg_2":"1154213.25","3D7_glu_neg_3":"929644.6875","3D7_glu_pos_1":"999112.5","3D7_glu_pos_2":"1161713.75","3D7_glu_pos_3":"233931.1406","M17_glu_neg_1":"534244","M17_glu_neg_2":"631784.5","M17_glu_neg_3":"503871.0625","M17_glu_pos_1":"353667.3125","M17_glu_pos_2":"553033.875","M17_glu_pos_3":"303766.5938"},{"Metabolite":"Cytidine monophosphate","3D7_glu_neg_1":"741101.125","3D7_glu_neg_2":"1223474.625","3D7_glu_neg_3":"1475582.5","3D7_glu_pos_1":"786018.4375","3D7_glu_pos_2":"864363.6875","3D7_glu_pos_3":"222405.5625","M17_glu_neg_1":"916511.9375","M17_glu_neg_2":"1066998.875","M17_glu_neg_3":"841373.5","M17_glu_pos_1":"325850.625","M17_glu_pos_2":"576442.25","M17_glu_pos_3":"361101.7188"},{"Metabolite":"Dap","3D7_glu_neg_1":"64367.35156","3D7_glu_neg_2":"156537.5781","3D7_glu_neg_3":"208380.375","3D7_glu_pos_1":"62461.14453","3D7_glu_pos_2":"130334.3203","3D7_glu_pos_3":"0","M17_glu_neg_1":"144120.4219","M17_glu_neg_2":"188173.1875","M17_glu_neg_3":"127318.5078","M17_glu_pos_1":"191534.2344","M17_glu_pos_2":"209772.6719","M17_glu_pos_3":"203003.7188"},{"Metabolite":"D-desosamine","3D7_glu_neg_1":"78318.91406","3D7_glu_neg_2":"105168.1719","3D7_glu_neg_3":"77792.50781","3D7_glu_pos_1":"152972.1875","3D7_glu_pos_2":"136220.125","3D7_glu_pos_3":"242342.1563","M17_glu_neg_1":"175526.1719","M17_glu_neg_2":"110244.0234","M17_glu_neg_3":"113816.6172","M17_glu_pos_1":"128554.2422","M17_glu_pos_2":"147824.3594","M17_glu_pos_3":"131044.7266"},{"Metabolite":"dehydrocheilanthifoline","3D7_glu_neg_1":"93504.33594","3D7_glu_neg_2":"160184.3906","3D7_glu_neg_3":"161072.8906","3D7_glu_pos_1":"189862.7188","3D7_glu_pos_2":"89620.13281","3D7_glu_pos_3":"138536.5313","M17_glu_neg_1":"215088.5625","M17_glu_neg_2":"178463.625","M17_glu_neg_3":"132794.1094","M17_glu_pos_1":"105029.5156","M17_glu_pos_2":"122787.4844","M17_glu_pos_3":"148492.3125"},{"Metabolite":"Deoxyadenosine monophosphate","3D7_glu_neg_1":"758085.0625","3D7_glu_neg_2":"1227845.875","3D7_glu_neg_3":"1546128.75","3D7_glu_pos_1":"866005.125","3D7_glu_pos_2":"685287.5","3D7_glu_pos_3":"248938.7656","M17_glu_neg_1":"865738.8125","M17_glu_neg_2":"944673.8125","M17_glu_neg_3":"831737.8125","M17_glu_pos_1":"611466.875","M17_glu_pos_2":"877928.625","M17_glu_pos_3":"643064"},{"Metabolite":"Dethiobiotin","3D7_glu_neg_1":"1037169.563","3D7_glu_neg_2":"2124524","3D7_glu_neg_3":"2357872","3D7_glu_pos_1":"1213071","3D7_glu_pos_2":"1833628.5","3D7_glu_pos_3":"33792.85547","M17_glu_neg_1":"1591204.375","M17_glu_neg_2":"1873893.75","M17_glu_neg_3":"1699819","M17_glu_pos_1":"2177220.75","M17_glu_pos_2":"2847808.25","M17_glu_pos_3":"2332585.75"},{"Metabolite":"Didodecyl thiobispropanoate","3D7_glu_neg_1":"7430049","3D7_glu_neg_2":"8884372","3D7_glu_neg_3":"10100000","3D7_glu_pos_1":"4749322.5","3D7_glu_pos_2":"7026302","3D7_glu_pos_3":"10200000","M17_glu_neg_1":"9004405","M17_glu_neg_2":"10300000","M17_glu_neg_3":"8699319","M17_glu_pos_1":"8739778","M17_glu_pos_2":"9024678","M17_glu_pos_3":"9207881"},{"Metabolite":"Diferuloylputrescine","3D7_glu_neg_1":"33325.57031","3D7_glu_neg_2":"121222.4219","3D7_glu_neg_3":"111413.8359","3D7_glu_pos_1":"64328.41797","3D7_glu_pos_2":"90685.21875","3D7_glu_pos_3":"0","M17_glu_neg_1":"139246.5781","M17_glu_neg_2":"161351.7813","M17_glu_neg_3":"117099.1797","M17_glu_pos_1":"988993.4375","M17_glu_pos_2":"1101789.5","M17_glu_pos_3":"1036658.25"},{"Metabolite":"dihydrothymidine","3D7_glu_neg_1":"10200000","3D7_glu_neg_2":"16000000","3D7_glu_neg_3":"16000000","3D7_glu_pos_1":"13200000","3D7_glu_pos_2":"15600000","3D7_glu_pos_3":"600278.375","M17_glu_neg_1":"29300000","M17_glu_neg_2":"31900000","M17_glu_neg_3":"25800000","M17_glu_pos_1":"518000000","M17_glu_pos_2":"632000000","M17_glu_pos_3":"531000000"},{"Metabolite":"Dihydrothymine","3D7_glu_neg_1":"164421.2188","3D7_glu_neg_2":"257560.25","3D7_glu_neg_3":"231135.4219","3D7_glu_pos_1":"403530.7188","3D7_glu_pos_2":"471906.0625","3D7_glu_pos_3":"589146.25","M17_glu_neg_1":"386260.5313","M17_glu_neg_2":"297435.375","M17_glu_neg_3":"261523.4531","M17_glu_pos_1":"251174.3281","M17_glu_pos_2":"397532.7188","M17_glu_pos_3":"235607.8438"},{"Metabolite":"Dimethylethanolamine","3D7_glu_neg_1":"330664.6563","3D7_glu_neg_2":"619034.5625","3D7_glu_neg_3":"238075.4844","3D7_glu_pos_1":"479056.1875","3D7_glu_pos_2":"579744.375","3D7_glu_pos_3":"762904.8125","M17_glu_neg_1":"582574.5","M17_glu_neg_2":"469005.5313","M17_glu_neg_3":"186698.0469","M17_glu_pos_1":"455528.3125","M17_glu_pos_2":"289283.3438","M17_glu_pos_3":"495993.25"},{"Metabolite":"Dimethylglycine","3D7_glu_neg_1":"887870","3D7_glu_neg_2":"892060.5","3D7_glu_neg_3":"825546.5","3D7_glu_pos_1":"850866.625","3D7_glu_pos_2":"840075.375","3D7_glu_pos_3":"789205.9375","M17_glu_neg_1":"865611.75","M17_glu_neg_2":"753232.25","M17_glu_neg_3":"920700.4375","M17_glu_pos_1":"772610.0625","M17_glu_pos_2":"830326.5","M17_glu_pos_3":"893251.1875"},{"Metabolite":"Diphthamide","3D7_glu_neg_1":"117901.5391","3D7_glu_neg_2":"187028.6406","3D7_glu_neg_3":"211015.8281","3D7_glu_pos_1":"178913.0625","3D7_glu_pos_2":"278890.8125","3D7_glu_pos_3":"81287.52344","M17_glu_neg_1":"163030.9219","M17_glu_neg_2":"206395.7188","M17_glu_neg_3":"147785.5781","M17_glu_pos_1":"183191.5313","M17_glu_pos_2":"224751.4844","M17_glu_pos_3":"190434.4844"},{"Metabolite":"DL-2-Aminooctanoic acid","3D7_glu_neg_1":"262853.375","3D7_glu_neg_2":"372205.4375","3D7_glu_neg_3":"376246.4063","3D7_glu_pos_1":"807118.6875","3D7_glu_pos_2":"746489","3D7_glu_pos_3":"1279602.125","M17_glu_neg_1":"935414.3125","M17_glu_neg_2":"537437.75","M17_glu_neg_3":"628259","M17_glu_pos_1":"640293.5","M17_glu_pos_2":"843604.4375","M17_glu_pos_3":"615753.3125"},{"Metabolite":"Epsilon-(gamma-Glutamyl)-lysine","3D7_glu_neg_1":"27211.46289","3D7_glu_neg_2":"86824.64844","3D7_glu_neg_3":"79904.82031","3D7_glu_pos_1":"128651.3438","3D7_glu_pos_2":"135436.7656","3D7_glu_pos_3":"0","M17_glu_neg_1":"95150.35156","M17_glu_neg_2":"174909","M17_glu_neg_3":"131802.3281","M17_glu_pos_1":"787228.3125","M17_glu_pos_2":"1028653.125","M17_glu_pos_3":"820112.6875"},{"Metabolite":"Ergothioneine","3D7_glu_neg_1":"262351.8438","3D7_glu_neg_2":"2764526.25","3D7_glu_neg_3":"995907.5","3D7_glu_pos_1":"3802684.25","3D7_glu_pos_2":"7876244.5","3D7_glu_pos_3":"10900000","M17_glu_neg_1":"2294546.25","M17_glu_neg_2":"2007925.625","M17_glu_neg_3":"1864785.375","M17_glu_pos_1":"1422825.5","M17_glu_pos_2":"2695869.5","M17_glu_pos_3":"2133525.75"},{"Metabolite":"ethyl-(4-aminophenyl)-1-deoxy-D-ribitol","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"58126.57422","M17_glu_pos_2":"88007.82813","M17_glu_pos_3":"107448.8125"},{"Metabolite":"Europine","3D7_glu_neg_1":"4358862","3D7_glu_neg_2":"6632629","3D7_glu_neg_3":"1689061.375","3D7_glu_pos_1":"5908114.5","3D7_glu_pos_2":"6060503","3D7_glu_pos_3":"5281620","M17_glu_neg_1":"3217171","M17_glu_neg_2":"260821.1406","M17_glu_neg_3":"2862324.75","M17_glu_pos_1":"2363694.75","M17_glu_pos_2":"2037260.25","M17_glu_pos_3":"2646344.75"},{"Metabolite":"FA (14:2) tetradecadienal","3D7_glu_neg_1":"1029742.438","3D7_glu_neg_2":"1335497.625","3D7_glu_neg_3":"1800699.5","3D7_glu_pos_1":"1845776.5","3D7_glu_pos_2":"1499364.75","3D7_glu_pos_3":"1575263.375","M17_glu_neg_1":"1065895.875","M17_glu_neg_2":"1491005.25","M17_glu_neg_3":"1295599.625","M17_glu_pos_1":"1024095.688","M17_glu_pos_2":"756367.1875","M17_glu_pos_3":"1084165"},{"Metabolite":"FeHM","3D7_glu_neg_1":"662814.625","3D7_glu_neg_2":"1220710.75","3D7_glu_neg_3":"722486.4375","3D7_glu_pos_1":"1023618.25","3D7_glu_pos_2":"1334729","3D7_glu_pos_3":"1116335","M17_glu_neg_1":"1080641.75","M17_glu_neg_2":"1059753.375","M17_glu_neg_3":"959630.9375","M17_glu_pos_1":"954231.5625","M17_glu_pos_2":"846725.8125","M17_glu_pos_3":"928038.3125"},{"Metabolite":"Fenamiphos","3D7_glu_neg_1":"52306.57813","3D7_glu_neg_2":"144366.5781","3D7_glu_neg_3":"140469.25","3D7_glu_pos_1":"73574.07031","3D7_glu_pos_2":"105083.7188","3D7_glu_pos_3":"0","M17_glu_neg_1":"73965.15625","M17_glu_neg_2":"150147.1406","M17_glu_neg_3":"90401.39844","M17_glu_pos_1":"413788.5","M17_glu_pos_2":"550604.9375","M17_glu_pos_3":"572203.8125"},{"Metabolite":"Fenugreekine","3D7_glu_neg_1":"23500000","3D7_glu_neg_2":"33500000","3D7_glu_neg_3":"35800000","3D7_glu_pos_1":"33600000","3D7_glu_pos_2":"36600000","3D7_glu_pos_3":"17500000","M17_glu_neg_1":"28500000","M17_glu_neg_2":"28500000","M17_glu_neg_3":"26100000","M17_glu_pos_1":"38200000","M17_glu_pos_2":"41900000","M17_glu_pos_3":"39500000"},{"Metabolite":"formycin A","3D7_glu_neg_1":"2082411.75","3D7_glu_neg_2":"3097347.25","3D7_glu_neg_3":"6336836","3D7_glu_pos_1":"2349608.5","3D7_glu_pos_2":"1704313.625","3D7_glu_pos_3":"0","M17_glu_neg_1":"4473658","M17_glu_neg_2":"4331377","M17_glu_neg_3":"4531740","M17_glu_pos_1":"3753951.25","M17_glu_pos_2":"4451408.5","M17_glu_pos_3":"3726880.5"},{"Metabolite":"Gamma glutamyl ornithine","3D7_glu_neg_1":"678943.9375","3D7_glu_neg_2":"1042995.313","3D7_glu_neg_3":"1065434.5","3D7_glu_pos_1":"818157.9375","3D7_glu_pos_2":"954442.5625","3D7_glu_pos_3":"195166.1406","M17_glu_neg_1":"707192.5625","M17_glu_neg_2":"1191709.75","M17_glu_neg_3":"786677.25","M17_glu_pos_1":"1090454.375","M17_glu_pos_2":"1320522.375","M17_glu_pos_3":"1110786.625"},{"Metabolite":"gamma-Aminobutyric acid","3D7_glu_neg_1":"2765349.75","3D7_glu_neg_2":"4682415","3D7_glu_neg_3":"4753218","3D7_glu_pos_1":"7294026","3D7_glu_pos_2":"7120124","3D7_glu_pos_3":"8909493","M17_glu_neg_1":"5802587.5","M17_glu_neg_2":"5091000.5","M17_glu_neg_3":"5607136.5","M17_glu_pos_1":"10300000","M17_glu_pos_2":"13900000","M17_glu_pos_3":"10300000"},{"Metabolite":"gamma-Glutamylcysteine","3D7_glu_neg_1":"439616.8125","3D7_glu_neg_2":"1261478.75","3D7_glu_neg_3":"1434611.5","3D7_glu_pos_1":"1060910.375","3D7_glu_pos_2":"1738667.75","3D7_glu_pos_3":"118907.6016","M17_glu_neg_1":"737813.9375","M17_glu_neg_2":"890414.5","M17_glu_neg_3":"701410.875","M17_glu_pos_1":"609361.375","M17_glu_pos_2":"931173.4375","M17_glu_pos_3":"933392.25"},{"Metabolite":"gamma-Glutamyl-gamma-aminobutyraldehyde","3D7_glu_neg_1":"5352807.5","3D7_glu_neg_2":"10900000","3D7_glu_neg_3":"14700000","3D7_glu_pos_1":"7177040.5","3D7_glu_pos_2":"9764873","3D7_glu_pos_3":"339918.0313","M17_glu_neg_1":"16500000","M17_glu_neg_2":"21400000","M17_glu_neg_3":"18200000","M17_glu_pos_1":"36000000","M17_glu_pos_2":"48100000","M17_glu_pos_3":"38300000"},{"Metabolite":"gamma-Glutamylisoleucine","3D7_glu_neg_1":"402993.0625","3D7_glu_neg_2":"855124.375","3D7_glu_neg_3":"1444578.125","3D7_glu_pos_1":"553161.8125","3D7_glu_pos_2":"849425.0625","3D7_glu_pos_3":"127793.0391","M17_glu_neg_1":"1086045.125","M17_glu_neg_2":"1820483.5","M17_glu_neg_3":"1127149","M17_glu_pos_1":"1798933.125","M17_glu_pos_2":"2349288.75","M17_glu_pos_3":"1988328.625"},{"Metabolite":"Gamma-Glutamyl-Se-methylselenocysteine","3D7_glu_neg_1":"600203.0625","3D7_glu_neg_2":"977668.625","3D7_glu_neg_3":"1263258.5","3D7_glu_pos_1":"1117675.625","3D7_glu_pos_2":"1151545.625","3D7_glu_pos_3":"755648.5625","M17_glu_neg_1":"1118474.75","M17_glu_neg_2":"1288471.125","M17_glu_neg_3":"1250931.25","M17_glu_pos_1":"684362.1875","M17_glu_pos_2":"688325.0625","M17_glu_pos_3":"622877.3125"},{"Metabolite":"gamma-Glutamyltyrosine","3D7_glu_neg_1":"466653.5313","3D7_glu_neg_2":"1192303.5","3D7_glu_neg_3":"1443016.75","3D7_glu_pos_1":"608365.5625","3D7_glu_pos_2":"1288500.75","3D7_glu_pos_3":"0","M17_glu_neg_1":"1004347.625","M17_glu_neg_2":"1264439.625","M17_glu_neg_3":"801077.4375","M17_glu_pos_1":"459114.75","M17_glu_pos_2":"684532.3125","M17_glu_pos_3":"532398.9375"},{"Metabolite":"gamma-L-Glutamyl-L-pipecolic acid","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"37809.0625","3D7_glu_pos_1":"0","3D7_glu_pos_2":"27488.04297","3D7_glu_pos_3":"0","M17_glu_neg_1":"35429.6875","M17_glu_neg_2":"30670.8418","M17_glu_neg_3":"0","M17_glu_pos_1":"255762.8906","M17_glu_pos_2":"364198","M17_glu_pos_3":"290876.6563"},{"Metabolite":"GDP-3,6-dideoxy-D-galactose","3D7_glu_neg_1":"207602.3125","3D7_glu_neg_2":"301994.0625","3D7_glu_neg_3":"372709.6875","3D7_glu_pos_1":"332889.875","3D7_glu_pos_2":"255743.7969","3D7_glu_pos_3":"163607.0781","M17_glu_neg_1":"240440.5156","M17_glu_neg_2":"212212.2656","M17_glu_neg_3":"251571.4844","M17_glu_pos_1":"289809.9375","M17_glu_pos_2":"274472.875","M17_glu_pos_3":"284120.375"},{"Metabolite":"Gln/Thr/Trp/Pro","3D7_glu_neg_1":"128746.2266","3D7_glu_neg_2":"403975.0313","3D7_glu_neg_3":"626387.1875","3D7_glu_pos_1":"197734","3D7_glu_pos_2":"357382.0938","3D7_glu_pos_3":"0","M17_glu_neg_1":"378904.6875","M17_glu_neg_2":"814013.75","M17_glu_neg_3":"485915.5313","M17_glu_pos_1":"747515.0625","M17_glu_pos_2":"823218.9375","M17_glu_pos_3":"916570.3125"},{"Metabolite":"glorin","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"431945.4063","3D7_glu_pos_2":"547781.375","3D7_glu_pos_3":"123620.3125","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"520618.6563","M17_glu_pos_2":"726606.125","M17_glu_pos_3":"605578.0625"},{"Metabolite":"Glu/Ala/Ala","3D7_glu_neg_1":"209976.625","3D7_glu_neg_2":"257641.1719","3D7_glu_neg_3":"339607.5313","3D7_glu_pos_1":"292765.2813","3D7_glu_pos_2":"234741.9844","3D7_glu_pos_3":"108965.9141","M17_glu_neg_1":"462360.5625","M17_glu_neg_2":"382394.625","M17_glu_neg_3":"437798","M17_glu_pos_1":"248888.7031","M17_glu_pos_2":"433459.3438","M17_glu_pos_3":"368853.4375"},{"Metabolite":"Glu/Ala/Glu","3D7_glu_neg_1":"430331.8125","3D7_glu_neg_2":"625808.3125","3D7_glu_neg_3":"601249.625","3D7_glu_pos_1":"426146.4063","3D7_glu_pos_2":"613874.625","3D7_glu_pos_3":"0","M17_glu_neg_1":"481417","M17_glu_neg_2":"613707.5","M17_glu_neg_3":"398414.875","M17_glu_pos_1":"5943187.5","M17_glu_pos_2":"7440205.5","M17_glu_pos_3":"7044906.5"},{"Metabolite":"Glu/Ala/Pro","3D7_glu_neg_1":"141243.8125","3D7_glu_neg_2":"355715.5938","3D7_glu_neg_3":"356213.9688","3D7_glu_pos_1":"223769.0625","3D7_glu_pos_2":"342989.25","3D7_glu_pos_3":"38485.61719","M17_glu_neg_1":"294612.1563","M17_glu_neg_2":"376545.9688","M17_glu_neg_3":"245802.7188","M17_glu_pos_1":"6334128.5","M17_glu_pos_2":"7145338.5","M17_glu_pos_3":"6381068.5"},{"Metabolite":"Glu/Ala/Ser","3D7_glu_neg_1":"403357.9063","3D7_glu_neg_2":"747548.6875","3D7_glu_neg_3":"829183.3125","3D7_glu_pos_1":"1112015.375","3D7_glu_pos_2":"1124731.25","3D7_glu_pos_3":"529872","M17_glu_neg_1":"952003","M17_glu_neg_2":"1027758.125","M17_glu_neg_3":"856123.5","M17_glu_pos_1":"863600.75","M17_glu_pos_2":"921821.75","M17_glu_pos_3":"1025432.125"},{"Metabolite":"Glu/Ala/Val","3D7_glu_neg_1":"117256.9375","3D7_glu_neg_2":"192653.2656","3D7_glu_neg_3":"218056.0156","3D7_glu_pos_1":"178685.3438","3D7_glu_pos_2":"213833.8906","3D7_glu_pos_3":"37245.28906","M17_glu_neg_1":"219685.6563","M17_glu_neg_2":"332879.375","M17_glu_neg_3":"215215.3438","M17_glu_pos_1":"2533504.25","M17_glu_pos_2":"2531665","M17_glu_pos_3":"2409673.75"},{"Metabolite":"Glu/Arg/Asn","3D7_glu_neg_1":"114660.8828","3D7_glu_neg_2":"175311.9219","3D7_glu_neg_3":"286227.8438","3D7_glu_pos_1":"133781.1563","3D7_glu_pos_2":"203465.125","3D7_glu_pos_3":"0","M17_glu_neg_1":"259910.8594","M17_glu_neg_2":"207904.4375","M17_glu_neg_3":"223325.2656","M17_glu_pos_1":"158795.4219","M17_glu_pos_2":"245215.7969","M17_glu_pos_3":"180435.3594"},{"Metabolite":"Glu/Arg/Tyr","3D7_glu_neg_1":"30319.06641","3D7_glu_neg_2":"84800.20313","3D7_glu_neg_3":"104834.3672","3D7_glu_pos_1":"34081.80859","3D7_glu_pos_2":"88526.79688","3D7_glu_pos_3":"0","M17_glu_neg_1":"88233.84375","M17_glu_neg_2":"44883.25","M17_glu_neg_3":"50546.8125","M17_glu_pos_1":"119740.2422","M17_glu_pos_2":"79550.28125","M17_glu_pos_3":"86984.21875"},{"Metabolite":"Glu/Asp/Pro","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"42441.66797","3D7_glu_pos_3":"0","M17_glu_neg_1":"32839.98438","M17_glu_neg_2":"47172.48438","M17_glu_neg_3":"0","M17_glu_pos_1":"664453.3125","M17_glu_pos_2":"833896.8125","M17_glu_pos_3":"799708.4375"},{"Metabolite":"Glu/Glu/Gln/His","3D7_glu_neg_1":"103990.3906","3D7_glu_neg_2":"149499.9063","3D7_glu_neg_3":"175913.8125","3D7_glu_pos_1":"94301.79688","3D7_glu_pos_2":"200798.1563","3D7_glu_pos_3":"0","M17_glu_neg_1":"119368.5703","M17_glu_neg_2":"234948.4375","M17_glu_neg_3":"141191.0938","M17_glu_pos_1":"110899.3125","M17_glu_pos_2":"103755.1328","M17_glu_pos_3":"147305.8906"},{"Metabolite":"Glu/Glu/Gln/Trp","3D7_glu_neg_1":"22100000","3D7_glu_neg_2":"27100000","3D7_glu_neg_3":"1062033.375","3D7_glu_pos_1":"23100000","3D7_glu_pos_2":"23600000","3D7_glu_pos_3":"19400000","M17_glu_neg_1":"21100000","M17_glu_neg_2":"0","M17_glu_neg_3":"29000000","M17_glu_pos_1":"15200000","M17_glu_pos_2":"9933950","M17_glu_pos_3":"23100000"},{"Metabolite":"Glu/Glu/Glu/Lys/Trp","3D7_glu_neg_1":"110623.8281","3D7_glu_neg_2":"195923.4844","3D7_glu_neg_3":"226150.6094","3D7_glu_pos_1":"147900.7344","3D7_glu_pos_2":"181594.9531","3D7_glu_pos_3":"0","M17_glu_neg_1":"149559.2188","M17_glu_neg_2":"192325.0156","M17_glu_neg_3":"162759.8594","M17_glu_pos_1":"71171.24219","M17_glu_pos_2":"70449.14063","M17_glu_pos_3":"91046.09375"},{"Metabolite":"Glu/Glu/His","3D7_glu_neg_1":"144021.0156","3D7_glu_neg_2":"222995.2188","3D7_glu_neg_3":"229079.4844","3D7_glu_pos_1":"136912.3594","3D7_glu_pos_2":"342567.4063","3D7_glu_pos_3":"0","M17_glu_neg_1":"167755.4219","M17_glu_neg_2":"232594.0156","M17_glu_neg_3":"142087.5938","M17_glu_pos_1":"59516.56641","M17_glu_pos_2":"88598.72656","M17_glu_pos_3":"115204.2109"},{"Metabolite":"Glu/Glu/Ile/Met","3D7_glu_neg_1":"0","3D7_glu_neg_2":"60205.22656","3D7_glu_neg_3":"55230.88672","3D7_glu_pos_1":"0","3D7_glu_pos_2":"64516.66797","3D7_glu_pos_3":"0","M17_glu_neg_1":"65943.8125","M17_glu_neg_2":"124184.0313","M17_glu_neg_3":"74182.63281","M17_glu_pos_1":"301795.3438","M17_glu_pos_2":"403793.4375","M17_glu_pos_3":"391085.5313"},{"Metabolite":"Glu/Glu/Lys/Pro","3D7_glu_neg_1":"956112.5","3D7_glu_neg_2":"1765670.625","3D7_glu_neg_3":"2005162.875","3D7_glu_pos_1":"1334381","3D7_glu_pos_2":"2146557.25","3D7_glu_pos_3":"142079.9844","M17_glu_neg_1":"1352633.875","M17_glu_neg_2":"1913398","M17_glu_neg_3":"1322970.5","M17_glu_pos_1":"1980848.25","M17_glu_pos_2":"2869482.5","M17_glu_pos_3":"2502553"},{"Metabolite":"Glu/Glu/Pro","3D7_glu_neg_1":"702631.5","3D7_glu_neg_2":"1651088.5","3D7_glu_neg_3":"1692951.75","3D7_glu_pos_1":"849006.125","3D7_glu_pos_2":"2056559.25","3D7_glu_pos_3":"156779.5","M17_glu_neg_1":"1677993.625","M17_glu_neg_2":"2410061.25","M17_glu_neg_3":"1564344.75","M17_glu_pos_1":"60500000","M17_glu_pos_2":"76800000","M17_glu_pos_3":"69000000"},{"Metabolite":"Glu/Glu/Pro/Thr","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"640990.375","M17_glu_pos_2":"758279.1875","M17_glu_pos_3":"781568.5"},{"Metabolite":"Glu/Ile/Gln/Lys","3D7_glu_neg_1":"0","3D7_glu_neg_2":"97105.89844","3D7_glu_neg_3":"149271.1406","3D7_glu_pos_1":"51037.53125","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"86124.09375","M17_glu_neg_2":"238501.625","M17_glu_neg_3":"143754.1406","M17_glu_pos_1":"255089.6406","M17_glu_pos_2":"377316.3438","M17_glu_pos_3":"293866.2188"},{"Metabolite":"Glu/Met/Ser","3D7_glu_neg_1":"114830.0547","3D7_glu_neg_2":"239275.6094","3D7_glu_neg_3":"232493.1094","3D7_glu_pos_1":"336126.9688","3D7_glu_pos_2":"454573.0313","3D7_glu_pos_3":"228078.5625","M17_glu_neg_1":"99863.36719","M17_glu_neg_2":"110950.4531","M17_glu_neg_3":"64802.94531","M17_glu_pos_1":"77588.14063","M17_glu_pos_2":"125984.9141","M17_glu_pos_3":"94951.36719"},{"Metabolite":"Glu/Met/Thr/Thr","3D7_glu_neg_1":"0","3D7_glu_neg_2":"139817.6563","3D7_glu_neg_3":"109226.9375","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"52600.98047","M17_glu_neg_2":"168923.0781","M17_glu_neg_3":"59440.99219","M17_glu_pos_1":"376651.375","M17_glu_pos_2":"421515.7188","M17_glu_pos_3":"369558.3438"},{"Metabolite":"Glu/Phe/Ala/Pro","3D7_glu_neg_1":"109439.0078","3D7_glu_neg_2":"257254.7656","3D7_glu_neg_3":"337798","3D7_glu_pos_1":"175790.9688","3D7_glu_pos_2":"298960","3D7_glu_pos_3":"107730.3438","M17_glu_neg_1":"207745.1563","M17_glu_neg_2":"435317.7188","M17_glu_neg_3":"211557.1406","M17_glu_pos_1":"709637.6875","M17_glu_pos_2":"879027.625","M17_glu_pos_3":"887054"},{"Metabolite":"Glu/Ser/Thr","3D7_glu_neg_1":"176179.5625","3D7_glu_neg_2":"188909.3594","3D7_glu_neg_3":"235621.5313","3D7_glu_pos_1":"207392.5313","3D7_glu_pos_2":"270991.375","3D7_glu_pos_3":"77431.3125","M17_glu_neg_1":"203318.3438","M17_glu_neg_2":"190498.25","M17_glu_neg_3":"182353.8438","M17_glu_pos_1":"172171.0781","M17_glu_pos_2":"233232.8281","M17_glu_pos_3":"232819.5938"},{"Metabolite":"Glucosamine","3D7_glu_neg_1":"38398.05859","3D7_glu_neg_2":"55210.88281","3D7_glu_neg_3":"46358.875","3D7_glu_pos_1":"660219.5625","3D7_glu_pos_2":"510830.1563","3D7_glu_pos_3":"307613.1563","M17_glu_neg_1":"43066.16016","M17_glu_neg_2":"65868.11719","M17_glu_neg_3":"31109.82813","M17_glu_pos_1":"1485742.125","M17_glu_pos_2":"1657837.5","M17_glu_pos_3":"1588320"},{"Metabolite":"Glutamic acid","3D7_glu_neg_1":"24400000","3D7_glu_neg_2":"55000000","3D7_glu_neg_3":"51000000","3D7_glu_pos_1":"51400000","3D7_glu_pos_2":"76700000","3D7_glu_pos_3":"22400000","M17_glu_neg_1":"41000000","M17_glu_neg_2":"43200000","M17_glu_neg_3":"34900000","M17_glu_pos_1":"38500000","M17_glu_pos_2":"46400000","M17_glu_pos_3":"39300000"},{"Metabolite":"Glutamine","3D7_glu_neg_1":"29300000","3D7_glu_neg_2":"57100000","3D7_glu_neg_3":"43200000","3D7_glu_pos_1":"76300000","3D7_glu_pos_2":"95700000","3D7_glu_pos_3":"122000000","M17_glu_neg_1":"77000000","M17_glu_neg_2":"59600000","M17_glu_neg_3":"58700000","M17_glu_pos_1":"70000000","M17_glu_pos_2":"81500000","M17_glu_pos_3":"61900000"},{"Metabolite":"Glutamylarginine","3D7_glu_neg_1":"933995","3D7_glu_neg_2":"1725825.75","3D7_glu_neg_3":"2102059.75","3D7_glu_pos_1":"1216723.25","3D7_glu_pos_2":"1657830.75","3D7_glu_pos_3":"0","M17_glu_neg_1":"1909436.875","M17_glu_neg_2":"1899225.875","M17_glu_neg_3":"1321309.625","M17_glu_pos_1":"738926.4375","M17_glu_pos_2":"885626.4375","M17_glu_pos_3":"706607.875"},{"Metabolite":"Glutamyllysine","3D7_glu_neg_1":"377553.5","3D7_glu_neg_2":"754982.25","3D7_glu_neg_3":"871003.125","3D7_glu_pos_1":"608850","3D7_glu_pos_2":"863128.75","3D7_glu_pos_3":"18331.15234","M17_glu_neg_1":"737222.75","M17_glu_neg_2":"763450.4375","M17_glu_neg_3":"566330.25","M17_glu_pos_1":"521185.875","M17_glu_pos_2":"670557.875","M17_glu_pos_3":"571372.5"},{"Metabolite":"Glutamylthreonine","3D7_glu_neg_1":"1212515","3D7_glu_neg_2":"2037504.375","3D7_glu_neg_3":"2346930.75","3D7_glu_pos_1":"1411080.25","3D7_glu_pos_2":"2060040.875","3D7_glu_pos_3":"283959.125","M17_glu_neg_1":"2003542.125","M17_glu_neg_2":"2372802.75","M17_glu_neg_3":"2049950","M17_glu_pos_1":"2266381.75","M17_glu_pos_2":"2849683.5","M17_glu_pos_3":"2570164.25"},{"Metabolite":"Glutarate semialdehyde","3D7_glu_neg_1":"193196.8438","3D7_glu_neg_2":"260047.0625","3D7_glu_neg_3":"0","3D7_glu_pos_1":"175667.5469","3D7_glu_pos_2":"199735.0781","3D7_glu_pos_3":"130742.6719","M17_glu_neg_1":"216499.75","M17_glu_neg_2":"0","M17_glu_neg_3":"298212.6563","M17_glu_pos_1":"232788.5469","M17_glu_pos_2":"291691.3438","M17_glu_pos_3":"510322.9375"},{"Metabolite":"Glutathione","3D7_glu_neg_1":"55100000","3D7_glu_neg_2":"87500000","3D7_glu_neg_3":"114000000","3D7_glu_pos_1":"97800000","3D7_glu_pos_2":"125000000","3D7_glu_pos_3":"59900000","M17_glu_neg_1":"92400000","M17_glu_neg_2":"106000000","M17_glu_neg_3":"65500000","M17_glu_pos_1":"59200000","M17_glu_pos_2":"67700000","M17_glu_pos_3":"52700000"},{"Metabolite":"Gly/Arg/Trp/Trp/Trp","3D7_glu_neg_1":"377000000","3D7_glu_neg_2":"330000000","3D7_glu_neg_3":"288000000","3D7_glu_pos_1":"341000000","3D7_glu_pos_2":"284000000","3D7_glu_pos_3":"314000000","M17_glu_neg_1":"347000000","M17_glu_neg_2":"321000000","M17_glu_neg_3":"369000000","M17_glu_pos_1":"365000000","M17_glu_pos_2":"384000000","M17_glu_pos_3":"292000000"},{"Metabolite":"Gly/His/His/His/Val","3D7_glu_neg_1":"13000000","3D7_glu_neg_2":"29800000","3D7_glu_neg_3":"0","3D7_glu_pos_1":"22400000","3D7_glu_pos_2":"22000000","3D7_glu_pos_3":"8397061","M17_glu_neg_1":"22200000","M17_glu_neg_2":"0","M17_glu_neg_3":"42700000","M17_glu_pos_1":"9918372","M17_glu_pos_2":"8000467","M17_glu_pos_3":"35100000"},{"Metabolite":"Glycerol 1-propanoate diacetate","3D7_glu_neg_1":"308297","3D7_glu_neg_2":"482320.2188","3D7_glu_neg_3":"516779.5625","3D7_glu_pos_1":"481786.2813","3D7_glu_pos_2":"584492.5","3D7_glu_pos_3":"0","M17_glu_neg_1":"1289393","M17_glu_neg_2":"1326214.25","M17_glu_neg_3":"1251119.5","M17_glu_pos_1":"3528982.75","M17_glu_pos_2":"4069120","M17_glu_pos_3":"3590280.75"},{"Metabolite":"Glycerophosphocholine","3D7_glu_neg_1":"1454120.25","3D7_glu_neg_2":"2798040.25","3D7_glu_neg_3":"2654531.5","3D7_glu_pos_1":"4365552","3D7_glu_pos_2":"4805777.5","3D7_glu_pos_3":"5149497","M17_glu_neg_1":"3835097.25","M17_glu_neg_2":"3450694.5","M17_glu_neg_3":"2943902.25","M17_glu_pos_1":"9308437","M17_glu_pos_2":"10600000","M17_glu_pos_3":"7505294"},{"Metabolite":"Glycerophosphoglycerol","3D7_glu_neg_1":"321745.8125","3D7_glu_neg_2":"677343.8125","3D7_glu_neg_3":"631683.75","3D7_glu_pos_1":"638353.25","3D7_glu_pos_2":"577541.4375","3D7_glu_pos_3":"239948.7344","M17_glu_neg_1":"484074.5625","M17_glu_neg_2":"475974.0938","M17_glu_neg_3":"478141.1563","M17_glu_pos_1":"772481.8125","M17_glu_pos_2":"960249.9375","M17_glu_pos_3":"812032.875"},{"Metabolite":"glycerophosphoserine","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"212564.2031","3D7_glu_pos_2":"186886.1563","3D7_glu_pos_3":"380618.8125","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"274735","M17_glu_pos_2":"314767.6875","M17_glu_pos_3":"295032.4375"},{"Metabolite":"Glycyl-Arginine","3D7_glu_neg_1":"118092.1484","3D7_glu_neg_2":"274954.3438","3D7_glu_neg_3":"380805.4375","3D7_glu_pos_1":"160893.7813","3D7_glu_pos_2":"355330.9688","3D7_glu_pos_3":"0","M17_glu_neg_1":"288932.5625","M17_glu_neg_2":"424314.5938","M17_glu_neg_3":"288427.9063","M17_glu_pos_1":"110984.3203","M17_glu_pos_2":"166296.7188","M17_glu_pos_3":"122591.6563"},{"Metabolite":"Glycylleucine","3D7_glu_neg_1":"167938.2656","3D7_glu_neg_2":"578940.125","3D7_glu_neg_3":"535055.4375","3D7_glu_pos_1":"347927.4688","3D7_glu_pos_2":"550279.6875","3D7_glu_pos_3":"119836.375","M17_glu_neg_1":"276744.0938","M17_glu_neg_2":"509550.9375","M17_glu_neg_3":"376049.2188","M17_glu_pos_1":"278118.375","M17_glu_pos_2":"390091.3438","M17_glu_pos_3":"266292.0313"},{"Metabolite":"Glycylproline","3D7_glu_neg_1":"1670669.875","3D7_glu_neg_2":"4738773","3D7_glu_neg_3":"5135795","3D7_glu_pos_1":"2672328","3D7_glu_pos_2":"4261501","3D7_glu_pos_3":"80942.94531","M17_glu_neg_1":"3323074","M17_glu_neg_2":"3639880.5","M17_glu_neg_3":"3631996.25","M17_glu_pos_1":"1408815.25","M17_glu_pos_2":"2059904.625","M17_glu_pos_3":"1529118.5"},{"Metabolite":"Gravolenic acid","3D7_glu_neg_1":"2972835.25","3D7_glu_neg_2":"3069254.5","3D7_glu_neg_3":"2632288","3D7_glu_pos_1":"3064092","3D7_glu_pos_2":"2692762.5","3D7_glu_pos_3":"2552722.25","M17_glu_neg_1":"2445205.75","M17_glu_neg_2":"2541595.75","M17_glu_neg_3":"2743245.25","M17_glu_pos_1":"3148954.75","M17_glu_pos_2":"3428511.25","M17_glu_pos_3":"2695372.5"},{"Metabolite":"Guanine","3D7_glu_neg_1":"671778.0625","3D7_glu_neg_2":"1679591.875","3D7_glu_neg_3":"1245719.25","3D7_glu_pos_1":"1056547.25","3D7_glu_pos_2":"1335857.875","3D7_glu_pos_3":"157298.2188","M17_glu_neg_1":"1112376.125","M17_glu_neg_2":"1408591.5","M17_glu_neg_3":"922972.5","M17_glu_pos_1":"817142.1875","M17_glu_pos_2":"1044078.313","M17_glu_pos_3":"704377.4375"},{"Metabolite":"Guanosine 3'-phosphate","3D7_glu_neg_1":"1865785.375","3D7_glu_neg_2":"2695045.25","3D7_glu_neg_3":"2618983.25","3D7_glu_pos_1":"1598310.625","3D7_glu_pos_2":"2467220.5","3D7_glu_pos_3":"302310.5625","M17_glu_neg_1":"1747819.75","M17_glu_neg_2":"1852959.625","M17_glu_neg_3":"1537133.875","M17_glu_pos_1":"986512.375","M17_glu_pos_2":"1158217.125","M17_glu_pos_3":"1006920.813"},{"Metabolite":"Guanosine diphosphate mannose","3D7_glu_neg_1":"98716.80469","3D7_glu_neg_2":"287766.5313","3D7_glu_neg_3":"196035.1719","3D7_glu_pos_1":"155269.7344","3D7_glu_pos_2":"445103.0625","3D7_glu_pos_3":"139889.9375","M17_glu_neg_1":"127952.5781","M17_glu_neg_2":"231333.9844","M17_glu_neg_3":"138767.2344","M17_glu_pos_1":"123657.8828","M17_glu_pos_2":"137919.0469","M17_glu_pos_3":"153204.8906"},{"Metabolite":"His/Arg/Arg/Val/Trp","3D7_glu_neg_1":"238307.75","3D7_glu_neg_2":"243353.6719","3D7_glu_neg_3":"183022.0469","3D7_glu_pos_1":"262209.25","3D7_glu_pos_2":"0","3D7_glu_pos_3":"333803.2813","M17_glu_neg_1":"280426","M17_glu_neg_2":"430193.2813","M17_glu_neg_3":"437168.2188","M17_glu_pos_1":"263497.9688","M17_glu_pos_2":"312022.2813","M17_glu_pos_3":"316053.4063"},{"Metabolite":"Histidine","3D7_glu_neg_1":"23800000","3D7_glu_neg_2":"48900000","3D7_glu_neg_3":"45800000","3D7_glu_pos_1":"49000000","3D7_glu_pos_2":"65400000","3D7_glu_pos_3":"36900000","M17_glu_neg_1":"44800000","M17_glu_neg_2":"51000000","M17_glu_neg_3":"40600000","M17_glu_pos_1":"43300000","M17_glu_pos_2":"54200000","M17_glu_pos_3":"42300000"},{"Metabolite":"Homo-L-arginine","3D7_glu_neg_1":"214646.3281","3D7_glu_neg_2":"454306.0625","3D7_glu_neg_3":"437983.125","3D7_glu_pos_1":"410677.625","3D7_glu_pos_2":"559821.9375","3D7_glu_pos_3":"14290.57031","M17_glu_neg_1":"331827.3438","M17_glu_neg_2":"343704.1563","M17_glu_neg_3":"301785.6875","M17_glu_pos_1":"81191.92969","M17_glu_pos_2":"108979.0391","M17_glu_pos_3":"92232.36719"},{"Metabolite":"hydroxyisovaleroyl carnitine","3D7_glu_neg_1":"124656.6563","3D7_glu_neg_2":"183864.6563","3D7_glu_neg_3":"229415.7188","3D7_glu_pos_1":"290012","3D7_glu_pos_2":"360583.5625","3D7_glu_pos_3":"339439.5313","M17_glu_neg_1":"239692.8125","M17_glu_neg_2":"180577.4063","M17_glu_neg_3":"259656.3125","M17_glu_pos_1":"232733.0625","M17_glu_pos_2":"346350.0938","M17_glu_pos_3":"242839.6719"},{"Metabolite":"Hydroxyprolyl-Tryptophan","3D7_glu_neg_1":"128646.3906","3D7_glu_neg_2":"124475.75","3D7_glu_neg_3":"214859.4063","3D7_glu_pos_1":"56160.82031","3D7_glu_pos_2":"56380.36328","3D7_glu_pos_3":"0","M17_glu_neg_1":"120663.1875","M17_glu_neg_2":"176993.2969","M17_glu_neg_3":"179242.7813","M17_glu_pos_1":"910065.5","M17_glu_pos_2":"1137378.25","M17_glu_pos_3":"935895.5625"},{"Metabolite":"Hypoxanthine","3D7_glu_neg_1":"2750329.5","3D7_glu_neg_2":"6097780","3D7_glu_neg_3":"5061536","3D7_glu_pos_1":"4964911.5","3D7_glu_pos_2":"6264549","3D7_glu_pos_3":"2010117.25","M17_glu_neg_1":"4158236.5","M17_glu_neg_2":"4668788","M17_glu_neg_3":"2737666","M17_glu_pos_1":"5889594.5","M17_glu_pos_2":"7461347.5","M17_glu_pos_3":"6086567"},{"Metabolite":"icos#3","3D7_glu_neg_1":"1089094.125","3D7_glu_neg_2":"1316884.875","3D7_glu_neg_3":"329371.4375","3D7_glu_pos_1":"967502.375","3D7_glu_pos_2":"797662.4375","3D7_glu_pos_3":"1007492.563","M17_glu_neg_1":"1332403","M17_glu_neg_2":"923176.6875","M17_glu_neg_3":"1244950","M17_glu_pos_1":"781850","M17_glu_pos_2":"950260.625","M17_glu_pos_3":"938874.5"},{"Metabolite":"Ile/Ala/Gly","3D7_glu_neg_1":"146055.4531","3D7_glu_neg_2":"416009.875","3D7_glu_neg_3":"813468.125","3D7_glu_pos_1":"205898","3D7_glu_pos_2":"363282.8438","3D7_glu_pos_3":"0","M17_glu_neg_1":"551261.75","M17_glu_neg_2":"1328404.125","M17_glu_neg_3":"798598.6875","M17_glu_pos_1":"453866.5","M17_glu_pos_2":"821187.375","M17_glu_pos_3":"544305.3125"},{"Metabolite":"Ile/Ala/Ser","3D7_glu_neg_1":"160527.1094","3D7_glu_neg_2":"466757.4375","3D7_glu_neg_3":"476795.7813","3D7_glu_pos_1":"165861.3125","3D7_glu_pos_2":"304172.1875","3D7_glu_pos_3":"0","M17_glu_neg_1":"365748.9063","M17_glu_neg_2":"451524.75","M17_glu_neg_3":"443923.3125","M17_glu_pos_1":"734027.25","M17_glu_pos_2":"888411.75","M17_glu_pos_3":"982677.125"},{"Metabolite":"Ile/Ala/Thr","3D7_glu_neg_1":"97282.78125","3D7_glu_neg_2":"235429.9531","3D7_glu_neg_3":"349257.6563","3D7_glu_pos_1":"128876.4766","3D7_glu_pos_2":"177408.6406","3D7_glu_pos_3":"0","M17_glu_neg_1":"267666.125","M17_glu_neg_2":"366700.3438","M17_glu_neg_3":"291318.75","M17_glu_pos_1":"48928.03906","M17_glu_pos_2":"75060.24219","M17_glu_pos_3":"42971.51953"},{"Metabolite":"Ile/Asp/Asp","3D7_glu_neg_1":"24883.40039","3D7_glu_neg_2":"90202.54688","3D7_glu_neg_3":"105092.1484","3D7_glu_pos_1":"38822.27734","3D7_glu_pos_2":"81331.26563","3D7_glu_pos_3":"0","M17_glu_neg_1":"92021.61719","M17_glu_neg_2":"117220.4922","M17_glu_neg_3":"58553.99219","M17_glu_pos_1":"1380132.875","M17_glu_pos_2":"1787456.25","M17_glu_pos_3":"1623275.25"},{"Metabolite":"Ile/Cys/Gly","3D7_glu_neg_1":"122694.4609","3D7_glu_neg_2":"131917.9688","3D7_glu_neg_3":"147540.4844","3D7_glu_pos_1":"245598.5313","3D7_glu_pos_2":"154831.6563","3D7_glu_pos_3":"352682","M17_glu_neg_1":"286896.25","M17_glu_neg_2":"178579.4688","M17_glu_neg_3":"190486.125","M17_glu_pos_1":"259082.9375","M17_glu_pos_2":"236479.2813","M17_glu_pos_3":"184201.7969"},{"Metabolite":"Ile/Gly/Gly","3D7_glu_neg_1":"358945.1563","3D7_glu_neg_2":"988504.5","3D7_glu_neg_3":"1594205","3D7_glu_pos_1":"480088.5625","3D7_glu_pos_2":"842425.5","3D7_glu_pos_3":"0","M17_glu_neg_1":"1157155.125","M17_glu_neg_2":"2340709.5","M17_glu_neg_3":"1474261.875","M17_glu_pos_1":"1654581.25","M17_glu_pos_2":"2834668.5","M17_glu_pos_3":"2261558"},{"Metabolite":"Ile/Gly/His","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"71220.25781","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"57878.21484","M17_glu_neg_2":"84797.82031","M17_glu_neg_3":"0","M17_glu_pos_1":"101869.3281","M17_glu_pos_2":"284268.5625","M17_glu_pos_3":"128960.2266"},{"Metabolite":"Ile/His/Pro","3D7_glu_neg_1":"32833.91016","3D7_glu_neg_2":"38224.16406","3D7_glu_neg_3":"87561.96875","3D7_glu_pos_1":"57577.89063","3D7_glu_pos_2":"99285.60156","3D7_glu_pos_3":"0","M17_glu_neg_1":"102575.1641","M17_glu_neg_2":"106937.6406","M17_glu_neg_3":"86779.01563","M17_glu_pos_1":"56609.13281","M17_glu_pos_2":"91827.21875","M17_glu_pos_3":"55791.79688"},{"Metabolite":"Ile/Ile/Ile/Ile","3D7_glu_neg_1":"206274.6719","3D7_glu_neg_2":"246839.6875","3D7_glu_neg_3":"160390.25","3D7_glu_pos_1":"193855.6563","3D7_glu_pos_2":"175874.9688","3D7_glu_pos_3":"192468.4844","M17_glu_neg_1":"239896.9531","M17_glu_neg_2":"216279.8125","M17_glu_neg_3":"266818.9688","M17_glu_pos_1":"261409.2813","M17_glu_pos_2":"277837.6563","M17_glu_pos_3":"245908.1719"},{"Metabolite":"Ile/Thr/Pro/Pro","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"32957.42969","3D7_glu_pos_2":"53648.05469","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"134557.4219","M17_glu_pos_2":"206019.3438","M17_glu_pos_3":"203495.125"},{"Metabolite":"Ile/Trp/Trp/Trp/Trp","3D7_glu_neg_1":"0","3D7_glu_neg_2":"122752.4766","3D7_glu_neg_3":"90606.96875","3D7_glu_pos_1":"0","3D7_glu_pos_2":"83647.92188","3D7_glu_pos_3":"0","M17_glu_neg_1":"39858.49219","M17_glu_neg_2":"111295.9219","M17_glu_neg_3":"119405.9375","M17_glu_pos_1":"0","M17_glu_pos_2":"0","M17_glu_pos_3":"0"},{"Metabolite":"Inosine","3D7_glu_neg_1":"92302.0625","3D7_glu_neg_2":"142783.5313","3D7_glu_neg_3":"118196.3828","3D7_glu_pos_1":"120950.7656","3D7_glu_pos_2":"109916.6875","3D7_glu_pos_3":"0","M17_glu_neg_1":"111303.6875","M17_glu_neg_2":"144742.5469","M17_glu_neg_3":"96200.3125","M17_glu_pos_1":"278533.5938","M17_glu_pos_2":"272017.7813","M17_glu_pos_3":"198328.7813"},{"Metabolite":"Isoleucine","3D7_glu_neg_1":"2306266.5","3D7_glu_neg_2":"6797618.5","3D7_glu_neg_3":"6149546","3D7_glu_pos_1":"6713755.5","3D7_glu_pos_2":"7931990.5","3D7_glu_pos_3":"5263288","M17_glu_neg_1":"6051942","M17_glu_neg_2":"6974098","M17_glu_neg_3":"5480983","M17_glu_pos_1":"5795382.5","M17_glu_pos_2":"7620915","M17_glu_pos_3":"5229516.5"},{"Metabolite":"Isoleucyl-Alanine","3D7_glu_neg_1":"56979.98828","3D7_glu_neg_2":"132912.1563","3D7_glu_neg_3":"106609.2266","3D7_glu_pos_1":"195948.2813","3D7_glu_pos_2":"257335.6719","3D7_glu_pos_3":"390855.5","M17_glu_neg_1":"237492.1563","M17_glu_neg_2":"180865.5313","M17_glu_neg_3":"131394.25","M17_glu_pos_1":"188522.9844","M17_glu_pos_2":"240524.2813","M17_glu_pos_3":"179706.875"},{"Metabolite":"Isoleucyl-Arginine","3D7_glu_neg_1":"361538.4375","3D7_glu_neg_2":"432792.2188","3D7_glu_neg_3":"1449695.25","3D7_glu_pos_1":"408899.5938","3D7_glu_pos_2":"355487.3438","3D7_glu_pos_3":"0","M17_glu_neg_1":"1299045","M17_glu_neg_2":"2140774.5","M17_glu_neg_3":"1761909.75","M17_glu_pos_1":"782260.6875","M17_glu_pos_2":"1207081.875","M17_glu_pos_3":"804310.0625"},{"Metabolite":"Isoleucyl-Asparagine","3D7_glu_neg_1":"299362.0938","3D7_glu_neg_2":"746234.4375","3D7_glu_neg_3":"1166712.625","3D7_glu_pos_1":"317430.0938","3D7_glu_pos_2":"691428.125","3D7_glu_pos_3":"0","M17_glu_neg_1":"853276.3125","M17_glu_neg_2":"1644945.125","M17_glu_neg_3":"1160483.875","M17_glu_pos_1":"4117347.5","M17_glu_pos_2":"4992092","M17_glu_pos_3":"4509441"},{"Metabolite":"Isoleucyl-Lysine","3D7_glu_neg_1":"1123504.625","3D7_glu_neg_2":"3115365.25","3D7_glu_neg_3":"4419116","3D7_glu_pos_1":"1395124.75","3D7_glu_pos_2":"1207004.25","3D7_glu_pos_3":"0","M17_glu_neg_1":"3702667.5","M17_glu_neg_2":"5494546","M17_glu_neg_3":"3955764.5","M17_glu_pos_1":"942145.3125","M17_glu_pos_2":"1395297.25","M17_glu_pos_3":"1071661.625"},{"Metabolite":"Isoleucylproline","3D7_glu_neg_1":"1642550.375","3D7_glu_neg_2":"3344886.75","3D7_glu_neg_3":"5597475.5","3D7_glu_pos_1":"2027994.25","3D7_glu_pos_2":"3033555","3D7_glu_pos_3":"0","M17_glu_neg_1":"3342263","M17_glu_neg_2":"5373795.5","M17_glu_neg_3":"3436610.25","M17_glu_pos_1":"2163827.25","M17_glu_pos_2":"2832385.25","M17_glu_pos_3":"2511650.5"},{"Metabolite":"Isoleucyl-Serine","3D7_glu_neg_1":"548455.75","3D7_glu_neg_2":"1137114","3D7_glu_neg_3":"1960605","3D7_glu_pos_1":"572135.875","3D7_glu_pos_2":"1033887.75","3D7_glu_pos_3":"0","M17_glu_neg_1":"1306151","M17_glu_neg_2":"3107413.5","M17_glu_neg_3":"1473338","M17_glu_pos_1":"1857245.375","M17_glu_pos_2":"2513627","M17_glu_pos_3":"1993046.25"},{"Metabolite":"Isothipendyl","3D7_glu_neg_1":"4186147","3D7_glu_neg_2":"9909167","3D7_glu_neg_3":"322063.0938","3D7_glu_pos_1":"7674226.5","3D7_glu_pos_2":"8813211","3D7_glu_pos_3":"2887029.75","M17_glu_neg_1":"6562154.5","M17_glu_neg_2":"212262.2813","M17_glu_neg_3":"9664203","M17_glu_pos_1":"3564051.25","M17_glu_pos_2":"4090320.5","M17_glu_pos_3":"9885280"},{"Metabolite":"Isovalerylglutamic acid","3D7_glu_neg_1":"89814.64844","3D7_glu_neg_2":"208779.1563","3D7_glu_neg_3":"174941.9219","3D7_glu_pos_1":"118097.7969","3D7_glu_pos_2":"156528.7969","3D7_glu_pos_3":"0","M17_glu_neg_1":"229005.6719","M17_glu_neg_2":"253436.5625","M17_glu_neg_3":"176381.9844","M17_glu_pos_1":"1479611.25","M17_glu_pos_2":"1852621.25","M17_glu_pos_3":"1618213.25"},{"Metabolite":"Japonin","3D7_glu_neg_1":"116752.875","3D7_glu_neg_2":"219871.0469","3D7_glu_neg_3":"237918.5469","3D7_glu_pos_1":"168327.0938","3D7_glu_pos_2":"204755.5781","3D7_glu_pos_3":"0","M17_glu_neg_1":"188777","M17_glu_neg_2":"205811.5313","M17_glu_neg_3":"149673.5781","M17_glu_pos_1":"143854.2813","M17_glu_pos_2":"184674.6094","M17_glu_pos_3":"127990.9063"},{"Metabolite":"Kyotorphin","3D7_glu_neg_1":"90812.50781","3D7_glu_neg_2":"157297.0469","3D7_glu_neg_3":"245899.8438","3D7_glu_pos_1":"169100.5938","3D7_glu_pos_2":"192041.125","3D7_glu_pos_3":"0","M17_glu_neg_1":"242030.125","M17_glu_neg_2":"367252.375","M17_glu_neg_3":"252782.5","M17_glu_pos_1":"257725.8438","M17_glu_pos_2":"438087.9688","M17_glu_pos_3":"331775.0938"},{"Metabolite":"Lenticin","3D7_glu_neg_1":"571537.75","3D7_glu_neg_2":"810523.9375","3D7_glu_neg_3":"755297.875","3D7_glu_pos_1":"1530253.625","3D7_glu_pos_2":"1784558.375","3D7_glu_pos_3":"3034918.25","M17_glu_neg_1":"1854020.25","M17_glu_neg_2":"1310967.375","M17_glu_neg_3":"1143556.125","M17_glu_pos_1":"1611948.5","M17_glu_pos_2":"1804966","M17_glu_pos_3":"1320382.875"},{"Metabolite":"Leucine","3D7_glu_neg_1":"2306266.5","3D7_glu_neg_2":"6797618.5","3D7_glu_neg_3":"6149546","3D7_glu_pos_1":"6713755.5","3D7_glu_pos_2":"7931990.5","3D7_glu_pos_3":"5263288","M17_glu_neg_1":"4362831","M17_glu_neg_2":"5910491","M17_glu_neg_3":"4555292","M17_glu_pos_1":"5727300.5","M17_glu_pos_2":"7793018.5","M17_glu_pos_3":"5083094.5"},{"Metabolite":"Leucylproline","3D7_glu_neg_1":"222823.8906","3D7_glu_neg_2":"424200.6875","3D7_glu_neg_3":"330041.7188","3D7_glu_pos_1":"858879.3125","3D7_glu_pos_2":"724189.4375","3D7_glu_pos_3":"1178673.375","M17_glu_neg_1":"772976.1875","M17_glu_neg_2":"521402.5625","M17_glu_neg_3":"484564.875","M17_glu_pos_1":"689579.9375","M17_glu_pos_2":"818638.875","M17_glu_pos_3":"612156.0625"},{"Metabolite":"Levcromakalim","3D7_glu_neg_1":"874520.3125","3D7_glu_neg_2":"1703945.125","3D7_glu_neg_3":"70782.5","3D7_glu_pos_1":"1341621.25","3D7_glu_pos_2":"4046375","3D7_glu_pos_3":"518161.3125","M17_glu_neg_1":"1557566.875","M17_glu_neg_2":"22792.68555","M17_glu_neg_3":"2279693","M17_glu_pos_1":"977569","M17_glu_pos_2":"775266.0625","M17_glu_pos_3":"1871350.875"},{"Metabolite":"Lotaustralin","3D7_glu_neg_1":"492920.125","3D7_glu_neg_2":"1050537.25","3D7_glu_neg_3":"1068760.625","3D7_glu_pos_1":"1378990.375","3D7_glu_pos_2":"1660819.625","3D7_glu_pos_3":"917644.875","M17_glu_neg_1":"1019771.313","M17_glu_neg_2":"917647.125","M17_glu_neg_3":"744779.375","M17_glu_pos_1":"817326.0625","M17_glu_pos_2":"1061895.75","M17_glu_pos_3":"822759.125"},{"Metabolite":"Lys/Ala/Gly","3D7_glu_neg_1":"85529.51563","3D7_glu_neg_2":"158765.75","3D7_glu_neg_3":"257141.8906","3D7_glu_pos_1":"158033.1094","3D7_glu_pos_2":"182339.9688","3D7_glu_pos_3":"0","M17_glu_neg_1":"249115.8906","M17_glu_neg_2":"462714.625","M17_glu_neg_3":"346708.9063","M17_glu_pos_1":"273124.7813","M17_glu_pos_2":"434155.75","M17_glu_pos_3":"347072.1875"},{"Metabolite":"Lys/Gly/His","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"138106.1875","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"169507.125","M17_glu_neg_3":"102758.2188","M17_glu_pos_1":"212537.7344","M17_glu_pos_2":"261456.7188","M17_glu_pos_3":"252647.0625"},{"Metabolite":"Lys/Lys/Thr/Trp/Tyr","3D7_glu_neg_1":"1943478.75","3D7_glu_neg_2":"1512204.5","3D7_glu_neg_3":"1860870.75","3D7_glu_pos_1":"1895581.625","3D7_glu_pos_2":"755559.4375","3D7_glu_pos_3":"2585807.5","M17_glu_neg_1":"3306452.25","M17_glu_neg_2":"4132753.75","M17_glu_neg_3":"4744370","M17_glu_pos_1":"3230327.75","M17_glu_pos_2":"4100668.5","M17_glu_pos_3":"4166980.5"},{"Metabolite":"Lys/Met/Met/Val","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"268450.6563","M17_glu_pos_2":"340257.3438","M17_glu_pos_3":"351537.875"},{"Metabolite":"Lysine","3D7_glu_neg_1":"16100000","3D7_glu_neg_2":"27400000","3D7_glu_neg_3":"28400000","3D7_glu_pos_1":"21900000","3D7_glu_pos_2":"27700000","3D7_glu_pos_3":"1814942.625","M17_glu_neg_1":"23200000","M17_glu_neg_2":"25600000","M17_glu_neg_3":"21300000","M17_glu_pos_1":"17700000","M17_glu_pos_2":"20500000","M17_glu_pos_3":"17900000"},{"Metabolite":"LysoPC(16:0)","3D7_glu_neg_1":"2936787","3D7_glu_neg_2":"5681619.5","3D7_glu_neg_3":"5412038","3D7_glu_pos_1":"3908427.75","3D7_glu_pos_2":"6721747.5","3D7_glu_pos_3":"1441231.375","M17_glu_neg_1":"2493580.25","M17_glu_neg_2":"1658859.25","M17_glu_neg_3":"2349501","M17_glu_pos_1":"1962949.125","M17_glu_pos_2":"2528986.25","M17_glu_pos_3":"1747002.375"},{"Metabolite":"LysoPC(18:0)","3D7_glu_neg_1":"3428881.75","3D7_glu_neg_2":"8005636","3D7_glu_neg_3":"6760333.5","3D7_glu_pos_1":"6561564.5","3D7_glu_pos_2":"7875308","3D7_glu_pos_3":"3681895","M17_glu_neg_1":"3670598.5","M17_glu_neg_2":"2714570.25","M17_glu_neg_3":"3169202.5","M17_glu_pos_1":"3531186.25","M17_glu_pos_2":"3235399.25","M17_glu_pos_3":"3019665"},{"Metabolite":"Lysopine","3D7_glu_neg_1":"96033.72656","3D7_glu_neg_2":"132801.1875","3D7_glu_neg_3":"168510.5469","3D7_glu_pos_1":"126204.2344","3D7_glu_pos_2":"160899.2344","3D7_glu_pos_3":"86078.10156","M17_glu_neg_1":"194200.0781","M17_glu_neg_2":"183765.1875","M17_glu_neg_3":"167020.8438","M17_glu_pos_1":"155493.3125","M17_glu_pos_2":"225845.1406","M17_glu_pos_3":"159131.6875"},{"Metabolite":"Lysyl-Asparagine","3D7_glu_neg_1":"4264951.5","3D7_glu_neg_2":"7843563.5","3D7_glu_neg_3":"11300000","3D7_glu_pos_1":"4884102","3D7_glu_pos_2":"7716157.5","3D7_glu_pos_3":"36990.30469","M17_glu_neg_1":"8640986","M17_glu_neg_2":"10700000","M17_glu_neg_3":"8201089.5","M17_glu_pos_1":"1905402","M17_glu_pos_2":"2484255","M17_glu_pos_3":"1826155.5"},{"Metabolite":"Lysyl-Glycine","3D7_glu_neg_1":"641116.4375","3D7_glu_neg_2":"1350032.375","3D7_glu_neg_3":"1492397.125","3D7_glu_pos_1":"823593.125","3D7_glu_pos_2":"1235817.75","3D7_glu_pos_3":"40159.3125","M17_glu_neg_1":"1003032.813","M17_glu_neg_2":"1446938.375","M17_glu_neg_3":"975345.375","M17_glu_pos_1":"781706.3125","M17_glu_pos_2":"1109178.5","M17_glu_pos_3":"819106.125"},{"Metabolite":"Lysyl-Histidine","3D7_glu_neg_1":"1219166.625","3D7_glu_neg_2":"2424278","3D7_glu_neg_3":"3569262.5","3D7_glu_pos_1":"1378645","3D7_glu_pos_2":"2269291.25","3D7_glu_pos_3":"82658.71875","M17_glu_neg_1":"3099667.25","M17_glu_neg_2":"4116169","M17_glu_neg_3":"2919316.75","M17_glu_pos_1":"5245805","M17_glu_pos_2":"6673026","M17_glu_pos_3":"5547982.5"},{"Metabolite":"Lysyl-Phenylalanine","3D7_glu_neg_1":"34787.70703","3D7_glu_neg_2":"103685.4766","3D7_glu_neg_3":"180566.3438","3D7_glu_pos_1":"70593.25781","3D7_glu_pos_2":"114782.7109","3D7_glu_pos_3":"0","M17_glu_neg_1":"185749.875","M17_glu_neg_2":"306084.875","M17_glu_neg_3":"241419.8438","M17_glu_pos_1":"184449.4063","M17_glu_pos_2":"315244.4063","M17_glu_pos_3":"266997.3438"},{"Metabolite":"Lysyl-Proline","3D7_glu_neg_1":"3210117.75","3D7_glu_neg_2":"6890541.5","3D7_glu_neg_3":"7897229","3D7_glu_pos_1":"4269425","3D7_glu_pos_2":"6348116","3D7_glu_pos_3":"172442.8594","M17_glu_neg_1":"13600000","M17_glu_neg_2":"15200000","M17_glu_neg_3":"11400000","M17_glu_pos_1":"108000000","M17_glu_pos_2":"128000000","M17_glu_pos_3":"114000000"},{"Metabolite":"Lysyl-Serine","3D7_glu_neg_1":"1080459.75","3D7_glu_neg_2":"2216700.75","3D7_glu_neg_3":"3195501.5","3D7_glu_pos_1":"1448143.875","3D7_glu_pos_2":"2239060.25","3D7_glu_pos_3":"66044.67188","M17_glu_neg_1":"2724089.75","M17_glu_neg_2":"4112358.25","M17_glu_neg_3":"2863019","M17_glu_pos_1":"1838712","M17_glu_pos_2":"2112177.25","M17_glu_pos_3":"1687304.25"},{"Metabolite":"Lysyl-Threonine","3D7_glu_neg_1":"701711.375","3D7_glu_neg_2":"1089290.375","3D7_glu_neg_3":"1744363","3D7_glu_pos_1":"723378.875","3D7_glu_pos_2":"986174","3D7_glu_pos_3":"0","M17_glu_neg_1":"1466768.5","M17_glu_neg_2":"1810316.25","M17_glu_neg_3":"1510577.5","M17_glu_pos_1":"1506064.25","M17_glu_pos_2":"1955384.125","M17_glu_pos_3":"1470335.25"},{"Metabolite":"Lysyl-Tyrosine","3D7_glu_neg_1":"153620.4375","3D7_glu_neg_2":"327995.9688","3D7_glu_neg_3":"603567.3125","3D7_glu_pos_1":"253448.0938","3D7_glu_pos_2":"345826.875","3D7_glu_pos_3":"0","M17_glu_neg_1":"529574.4375","M17_glu_neg_2":"847997.875","M17_glu_neg_3":"640187.625","M17_glu_pos_1":"363226.0938","M17_glu_pos_2":"558652.625","M17_glu_pos_3":"406665.0313"},{"Metabolite":"Lysyl-Valine","3D7_glu_neg_1":"599529.625","3D7_glu_neg_2":"1164279.875","3D7_glu_neg_3":"1188870.25","3D7_glu_pos_1":"1044973.938","3D7_glu_pos_2":"1341717.375","3D7_glu_pos_3":"360462.1563","M17_glu_neg_1":"968226.0625","M17_glu_neg_2":"956001.8125","M17_glu_neg_3":"849057.625","M17_glu_pos_1":"786029.375","M17_glu_pos_2":"1172128.375","M17_glu_pos_3":"872386.5625"},{"Metabolite":"Magnoflorine","3D7_glu_neg_1":"762998.875","3D7_glu_neg_2":"1791591.375","3D7_glu_neg_3":"1312849.375","3D7_glu_pos_1":"1244764.625","3D7_glu_pos_2":"1588893.25","3D7_glu_pos_3":"1477130.875","M17_glu_neg_1":"1134134.875","M17_glu_neg_2":"1387849","M17_glu_neg_3":"1177469.75","M17_glu_pos_1":"1488262.75","M17_glu_pos_2":"1773010.875","M17_glu_pos_3":"1522032.375"},{"Metabolite":"Mannitol","3D7_glu_neg_1":"78600000","3D7_glu_neg_2":"126000000","3D7_glu_neg_3":"12500000","3D7_glu_pos_1":"64800000","3D7_glu_pos_2":"79500000","3D7_glu_pos_3":"50600000","M17_glu_neg_1":"83200000","M17_glu_neg_2":"3086208","M17_glu_neg_3":"135000000","M17_glu_pos_1":"91200000","M17_glu_pos_2":"102000000","M17_glu_pos_3":"188000000"},{"Metabolite":"Melanin","3D7_glu_neg_1":"915421.4375","3D7_glu_neg_2":"1192318.75","3D7_glu_neg_3":"1489563.875","3D7_glu_pos_1":"1461879.875","3D7_glu_pos_2":"1465054.875","3D7_glu_pos_3":"516272.2188","M17_glu_neg_1":"1045100.313","M17_glu_neg_2":"1054298.75","M17_glu_neg_3":"841333.9375","M17_glu_pos_1":"1281158.625","M17_glu_pos_2":"1754616.125","M17_glu_pos_3":"1420579.875"},{"Metabolite":"Met/Ala/Gly","3D7_glu_neg_1":"287811.8125","3D7_glu_neg_2":"221724.0625","3D7_glu_neg_3":"300013.4688","3D7_glu_pos_1":"806014.4375","3D7_glu_pos_2":"131215.8906","3D7_glu_pos_3":"1119991.125","M17_glu_neg_1":"724072.625","M17_glu_neg_2":"457510.0313","M17_glu_neg_3":"407931.5","M17_glu_pos_1":"667347","M17_glu_pos_2":"700392.25","M17_glu_pos_3":"562991.1875"},{"Metabolite":"Met/Met/Met","3D7_glu_neg_1":"102587.4609","3D7_glu_neg_2":"199687.2031","3D7_glu_neg_3":"281854.2188","3D7_glu_pos_1":"215600.2969","3D7_glu_pos_2":"331382.9063","3D7_glu_pos_3":"149879.0938","M17_glu_neg_1":"261094.4375","M17_glu_neg_2":"296027.2188","M17_glu_neg_3":"141460.8125","M17_glu_pos_1":"238197.8594","M17_glu_pos_2":"289369.75","M17_glu_pos_3":"150366.2969"},{"Metabolite":"Met/Thr/Thr/Ser","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"558792.0625","M17_glu_pos_2":"781659.125","M17_glu_pos_3":"564646"},{"Metabolite":"Methionine","3D7_glu_neg_1":"1691014.125","3D7_glu_neg_2":"4219059","3D7_glu_neg_3":"3812545.75","3D7_glu_pos_1":"4445995","3D7_glu_pos_2":"5163029.5","3D7_glu_pos_3":"4100104.75","M17_glu_neg_1":"4352192","M17_glu_neg_2":"5104667.5","M17_glu_neg_3":"3488778","M17_glu_pos_1":"4748654","M17_glu_pos_2":"7158647.5","M17_glu_pos_3":"4458554.5"},{"Metabolite":"Methyl 2-diazoacetamidohexonate","3D7_glu_neg_1":"76978.07031","3D7_glu_neg_2":"236544.6875","3D7_glu_neg_3":"159542.875","3D7_glu_pos_1":"319227.375","3D7_glu_pos_2":"495266.0625","3D7_glu_pos_3":"551027.625","M17_glu_neg_1":"277429.7188","M17_glu_neg_2":"275834.8438","M17_glu_neg_3":"201525.5156","M17_glu_pos_1":"316894.4688","M17_glu_pos_2":"286506.1875","M17_glu_pos_3":"237663.3438"},{"Metabolite":"Methyl -8'-oxo-6,8'-diapo-6-carotenoate","3D7_glu_neg_1":"129553.3672","3D7_glu_neg_2":"332066.5625","3D7_glu_neg_3":"256235.5781","3D7_glu_pos_1":"255026.2969","3D7_glu_pos_2":"500734.0313","3D7_glu_pos_3":"0","M17_glu_neg_1":"222193.7344","M17_glu_neg_2":"396554.7188","M17_glu_neg_3":"319832.5","M17_glu_pos_1":"160591.4688","M17_glu_pos_2":"319294.875","M17_glu_pos_3":"233415.3906"},{"Metabolite":"Monoethylhexyl phthalic acid","3D7_glu_neg_1":"1847565.625","3D7_glu_neg_2":"1700301.25","3D7_glu_neg_3":"933334.4375","3D7_glu_pos_1":"1036772.375","3D7_glu_pos_2":"1166285.875","3D7_glu_pos_3":"1340328.5","M17_glu_neg_1":"1636723.5","M17_glu_neg_2":"1873179","M17_glu_neg_3":"781360.125","M17_glu_pos_1":"1474575.875","M17_glu_pos_2":"679048.375","M17_glu_pos_3":"1059486.625"},{"Metabolite":"Montecristin","3D7_glu_neg_1":"1313354.375","3D7_glu_neg_2":"1769395.75","3D7_glu_neg_3":"2141604.75","3D7_glu_pos_1":"1564636.375","3D7_glu_pos_2":"1889326.25","3D7_glu_pos_3":"557066.0625","M17_glu_neg_1":"1681678.75","M17_glu_neg_2":"1704741.5","M17_glu_neg_3":"1506385.375","M17_glu_pos_1":"1509189.125","M17_glu_pos_2":"2103426","M17_glu_pos_3":"1834866"},{"Metabolite":"Muramic acid","3D7_glu_neg_1":"501764.9375","3D7_glu_neg_2":"973379.625","3D7_glu_neg_3":"904857.9375","3D7_glu_pos_1":"1055402.25","3D7_glu_pos_2":"1310266","3D7_glu_pos_3":"772783.375","M17_glu_neg_1":"835763.375","M17_glu_neg_2":"802857.75","M17_glu_neg_3":"748003.9375","M17_glu_pos_1":"875176.5625","M17_glu_pos_2":"895481.125","M17_glu_pos_3":"695290.5625"},{"Metabolite":"N-(1-Deoxy-1-fructosyl)proline","3D7_glu_neg_1":"248541.25","3D7_glu_neg_2":"611921.4375","3D7_glu_neg_3":"631955.9375","3D7_glu_pos_1":"481455.5","3D7_glu_pos_2":"572636.4375","3D7_glu_pos_3":"0","M17_glu_neg_1":"370091.9688","M17_glu_neg_2":"380607.125","M17_glu_neg_3":"331610.6875","M17_glu_pos_1":"622012.8125","M17_glu_pos_2":"800693.125","M17_glu_pos_3":"615422.9375"},{"Metabolite":"N-(1-Deoxy-1-fructosyl)threonine","3D7_glu_neg_1":"149568.4844","3D7_glu_neg_2":"417588.5938","3D7_glu_neg_3":"474684.1563","3D7_glu_pos_1":"190731.3906","3D7_glu_pos_2":"391467.7813","3D7_glu_pos_3":"0","M17_glu_neg_1":"297819.4063","M17_glu_neg_2":"302467.3438","M17_glu_neg_3":"265737.6563","M17_glu_pos_1":"394606.1563","M17_glu_pos_2":"604246.9375","M17_glu_pos_3":"419992.6875"},{"Metabolite":"N-(4-oxoglutaryl)-L-cysteinylglycine","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"49866.88281","3D7_glu_pos_3":"0","M17_glu_neg_1":"37631.59375","M17_glu_neg_2":"67809.6875","M17_glu_neg_3":"19224.70703","M17_glu_pos_1":"1031228.938","M17_glu_pos_2":"1375264.625","M17_glu_pos_3":"1371499.25"},{"Metabolite":"N-(docosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine","3D7_glu_neg_1":"1342126","3D7_glu_neg_2":"2664567.25","3D7_glu_neg_3":"2996270.5","3D7_glu_pos_1":"2599914.75","3D7_glu_pos_2":"2561346.5","3D7_glu_pos_3":"1754287.5","M17_glu_neg_1":"2007786.125","M17_glu_neg_2":"1966245.75","M17_glu_neg_3":"1744354.5","M17_glu_pos_1":"1718404.625","M17_glu_pos_2":"1653587","M17_glu_pos_3":"2204687.25"},{"Metabolite":"N-(eicosanoyl)-tetradecasphing-4-enine","3D7_glu_neg_1":"611849.5","3D7_glu_neg_2":"725240.9375","3D7_glu_neg_3":"833049.0625","3D7_glu_pos_1":"693135.875","3D7_glu_pos_2":"1040555","3D7_glu_pos_3":"364059.8438","M17_glu_neg_1":"674507.5625","M17_glu_neg_2":"725657.3125","M17_glu_neg_3":"691518.3125","M17_glu_pos_1":"949940.5625","M17_glu_pos_2":"868099.25","M17_glu_pos_3":"914290.5"},{"Metabolite":"N-(L-Arginino)succinate","3D7_glu_neg_1":"150349.1875","3D7_glu_neg_2":"362336.9063","3D7_glu_neg_3":"282797.8438","3D7_glu_pos_1":"383273.9375","3D7_glu_pos_2":"467732.9063","3D7_glu_pos_3":"159425.0625","M17_glu_neg_1":"258748.7188","M17_glu_neg_2":"228480.9219","M17_glu_neg_3":"226794.5938","M17_glu_pos_1":"216677.6719","M17_glu_pos_2":"243917.5938","M17_glu_pos_3":"244711.4375"},{"Metabolite":"N-(pentacosanoyl)-sphing-4-enine-1-phosphocholine","3D7_glu_neg_1":"277101.6563","3D7_glu_neg_2":"281169.5","3D7_glu_neg_3":"380374.25","3D7_glu_pos_1":"371024.7813","3D7_glu_pos_2":"346307.2813","3D7_glu_pos_3":"214992.9219","M17_glu_neg_1":"510276.7188","M17_glu_neg_2":"530976.9375","M17_glu_neg_3":"408937.4375","M17_glu_pos_1":"469842","M17_glu_pos_2":"484069.5","M17_glu_pos_3":"472395.0313"},{"Metabolite":"N-(tetracosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine","3D7_glu_neg_1":"757404.125","3D7_glu_neg_2":"1108799.875","3D7_glu_neg_3":"1348213.75","3D7_glu_pos_1":"1191504","3D7_glu_pos_2":"1325457.75","3D7_glu_pos_3":"812880.5","M17_glu_neg_1":"1457728.875","M17_glu_neg_2":"983703.5625","M17_glu_neg_3":"876395.5625","M17_glu_pos_1":"967853.0625","M17_glu_pos_2":"1093690.5","M17_glu_pos_3":"1041775.938"},{"Metabolite":"N-(tricosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine","3D7_glu_neg_1":"22000000","3D7_glu_neg_2":"38400000","3D7_glu_neg_3":"42500000","3D7_glu_pos_1":"41800000","3D7_glu_pos_2":"43500000","3D7_glu_pos_3":"29700000","M17_glu_neg_1":"32900000","M17_glu_neg_2":"36800000","M17_glu_neg_3":"31500000","M17_glu_pos_1":"31800000","M17_glu_pos_2":"35500000","M17_glu_pos_3":"37500000"},{"Metabolite":"N-(tricosanoyl)-tetradecasphingadienine-1-phosphoethanolamine","3D7_glu_neg_1":"2080642.125","3D7_glu_neg_2":"2866440.5","3D7_glu_neg_3":"3521959","3D7_glu_pos_1":"3344654","3D7_glu_pos_2":"3557346","3D7_glu_pos_3":"2335740","M17_glu_neg_1":"2388344.25","M17_glu_neg_2":"3358794.5","M17_glu_neg_3":"2631695.5","M17_glu_pos_1":"2291873","M17_glu_pos_2":"2916035","M17_glu_pos_3":"2680995"},{"Metabolite":"N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole","3D7_glu_neg_1":"185076.8594","3D7_glu_neg_2":"439441.6875","3D7_glu_neg_3":"737395.625","3D7_glu_pos_1":"196819.6719","3D7_glu_pos_2":"439601.7188","3D7_glu_pos_3":"0","M17_glu_neg_1":"566376.5","M17_glu_neg_2":"873678.25","M17_glu_neg_3":"637160.5625","M17_glu_pos_1":"322497.7813","M17_glu_pos_2":"498435.1563","M17_glu_pos_3":"337166.0625"},{"Metabolite":"N2-Fructopyranosylarginine","3D7_glu_neg_1":"143372.6719","3D7_glu_neg_2":"316872.9063","3D7_glu_neg_3":"270059.4375","3D7_glu_pos_1":"211357.6094","3D7_glu_pos_2":"476394.875","3D7_glu_pos_3":"0","M17_glu_neg_1":"155923.8594","M17_glu_neg_2":"191820.2188","M17_glu_neg_3":"131334.625","M17_glu_pos_1":"246990.3594","M17_glu_pos_2":"292344.8438","M17_glu_pos_3":"249951.375"},{"Metabolite":"N2-gamma-Glutamylglutamine","3D7_glu_neg_1":"517544.9375","3D7_glu_neg_2":"915059.6875","3D7_glu_neg_3":"1389699.5","3D7_glu_pos_1":"605184.6875","3D7_glu_pos_2":"1057851.625","3D7_glu_pos_3":"115200.0547","M17_glu_neg_1":"1136260.625","M17_glu_neg_2":"1578066.25","M17_glu_neg_3":"1105610.5","M17_glu_pos_1":"1225947.375","M17_glu_pos_2":"1403347.875","M17_glu_pos_3":"1308524.75"},{"Metabolite":"N2-Succinoylarginine","3D7_glu_neg_1":"469412.75","3D7_glu_neg_2":"1088750.625","3D7_glu_neg_3":"2045093.5","3D7_glu_pos_1":"606173.625","3D7_glu_pos_2":"574074.75","3D7_glu_pos_3":"0","M17_glu_neg_1":"1109364.125","M17_glu_neg_2":"2563461","M17_glu_neg_3":"1628632.125","M17_glu_pos_1":"921773.8125","M17_glu_pos_2":"1263003.625","M17_glu_pos_3":"1115627.25"},{"Metabolite":"N2-Succinyl-L-ornithine","3D7_glu_neg_1":"783277.5","3D7_glu_neg_2":"1487083.875","3D7_glu_neg_3":"1687337.875","3D7_glu_pos_1":"1022717.813","3D7_glu_pos_2":"1805009.125","3D7_glu_pos_3":"37147.91797","M17_glu_neg_1":"1666478.125","M17_glu_neg_2":"1650064.125","M17_glu_neg_3":"1324052","M17_glu_pos_1":"17400000","M17_glu_pos_2":"22100000","M17_glu_pos_3":"20500000"},{"Metabolite":"N5-acetyl-N5-hydroxy-L-ornithine","3D7_glu_neg_1":"93775.00781","3D7_glu_neg_2":"265294.1875","3D7_glu_neg_3":"515607.8125","3D7_glu_pos_1":"116873.2578","3D7_glu_pos_2":"231051.9063","3D7_glu_pos_3":"0","M17_glu_neg_1":"250118.4063","M17_glu_neg_2":"736709.0625","M17_glu_neg_3":"330040","M17_glu_pos_1":"439779.9688","M17_glu_pos_2":"491032.8125","M17_glu_pos_3":"382934.8438"},{"Metabolite":"N6,N6,N6-Trimethyl-L-lysine","3D7_glu_neg_1":"3101577.5","3D7_glu_neg_2":"5421337.5","3D7_glu_neg_3":"6176390","3D7_glu_pos_1":"5564338.5","3D7_glu_pos_2":"6989108","3D7_glu_pos_3":"1247813.75","M17_glu_neg_1":"5821588.5","M17_glu_neg_2":"5301515","M17_glu_neg_3":"4592961","M17_glu_pos_1":"4747058.5","M17_glu_pos_2":"6715972","M17_glu_pos_3":"4879519"},{"Metabolite":"N6-Acetyl-LL-2,6-diaminoheptanedioate","3D7_glu_neg_1":"284237.8125","3D7_glu_neg_2":"363500.9063","3D7_glu_neg_3":"440519.0313","3D7_glu_pos_1":"280466.4063","3D7_glu_pos_2":"213702.0625","3D7_glu_pos_3":"32521.21289","M17_glu_neg_1":"530710.125","M17_glu_neg_2":"460332.1875","M17_glu_neg_3":"485465.8438","M17_glu_pos_1":"5407220","M17_glu_pos_2":"7041162","M17_glu_pos_3":"6088991.5"},{"Metabolite":"N6-Acetyl-L-lysine","3D7_glu_neg_1":"426673.1875","3D7_glu_neg_2":"1578475","3D7_glu_neg_3":"3370326.25","3D7_glu_pos_1":"916644.6875","3D7_glu_pos_2":"1287754.375","3D7_glu_pos_3":"49684.78906","M17_glu_neg_1":"1226843.875","M17_glu_neg_2":"3134941.25","M17_glu_neg_3":"1584010.125","M17_glu_pos_1":"2969631.5","M17_glu_pos_2":"3444983.25","M17_glu_pos_3":"2512163.5"},{"Metabolite":"N6-Acetyl-N6-hydroxy-L-lysine","3D7_glu_neg_1":"86481.09375","3D7_glu_neg_2":"165088.5156","3D7_glu_neg_3":"182197.3906","3D7_glu_pos_1":"171470.2031","3D7_glu_pos_2":"226318.8438","3D7_glu_pos_3":"99011.03125","M17_glu_neg_1":"187857.8594","M17_glu_neg_2":"144636.1094","M17_glu_neg_3":"133828.7656","M17_glu_pos_1":"157188.0781","M17_glu_pos_2":"197717.9688","M17_glu_pos_3":"171346.9531"},{"Metabolite":"N-a-Acetylcitrulline","3D7_glu_neg_1":"236839.1875","3D7_glu_neg_2":"648025.625","3D7_glu_neg_3":"1114211.875","3D7_glu_pos_1":"295008.9063","3D7_glu_pos_2":"443038.2188","3D7_glu_pos_3":"28317.76758","M17_glu_neg_1":"618018.3125","M17_glu_neg_2":"1580730","M17_glu_neg_3":"699590.9375","M17_glu_pos_1":"1568749.125","M17_glu_pos_2":"1943355.125","M17_glu_pos_3":"1516437.125"},{"Metabolite":"N-Acetyl-beta-alanine","3D7_glu_neg_1":"2468235.75","3D7_glu_neg_2":"4494664","3D7_glu_neg_3":"4055195.75","3D7_glu_pos_1":"8455764","3D7_glu_pos_2":"7777930","3D7_glu_pos_3":"15200000","M17_glu_neg_1":"7665123","M17_glu_neg_2":"5746821.5","M17_glu_neg_3":"4876738","M17_glu_pos_1":"7342973","M17_glu_pos_2":"7802090","M17_glu_pos_3":"6113050.5"},{"Metabolite":"N-Acetyl-D-glucosamine","3D7_glu_neg_1":"35596.45313","3D7_glu_neg_2":"86655.85938","3D7_glu_neg_3":"50534.18359","3D7_glu_pos_1":"531850.4375","3D7_glu_pos_2":"601767","3D7_glu_pos_3":"762385.25","M17_glu_neg_1":"167479.1875","M17_glu_neg_2":"110476.0313","M17_glu_neg_3":"99399.32813","M17_glu_pos_1":"918578.125","M17_glu_pos_2":"1240575.5","M17_glu_pos_3":"988974.125"},{"Metabolite":"N-acetyl-L-2-aminoadipate(2-)","3D7_glu_neg_1":"117104.5859","3D7_glu_neg_2":"148452.6406","3D7_glu_neg_3":"142695.375","3D7_glu_pos_1":"644229.6875","3D7_glu_pos_2":"768783.625","3D7_glu_pos_3":"943498.125","M17_glu_neg_1":"357223.3125","M17_glu_neg_2":"235563.9219","M17_glu_neg_3":"205302.9375","M17_glu_pos_1":"1018768","M17_glu_pos_2":"1519326.25","M17_glu_pos_3":"1131176"},{"Metabolite":"N-Acetyllactosamine","3D7_glu_neg_1":"224149.6406","3D7_glu_neg_2":"326301.1875","3D7_glu_neg_3":"340196.5938","3D7_glu_pos_1":"320801.9688","3D7_glu_pos_2":"462403.125","3D7_glu_pos_3":"173720.5156","M17_glu_neg_1":"357224.5938","M17_glu_neg_2":"317665.75","M17_glu_neg_3":"263490.6875","M17_glu_pos_1":"307559.3438","M17_glu_pos_2":"394481.6563","M17_glu_pos_3":"330859.3125"},{"Metabolite":"N-Acetylleucine","3D7_glu_neg_1":"88792.44531","3D7_glu_neg_2":"94505.09375","3D7_glu_neg_3":"110179.9219","3D7_glu_pos_1":"162032.3281","3D7_glu_pos_2":"167864.4688","3D7_glu_pos_3":"243383.9063","M17_glu_neg_1":"139319.4219","M17_glu_neg_2":"110853.2578","M17_glu_neg_3":"100131.0469","M17_glu_pos_1":"141558.9063","M17_glu_pos_2":"175090.2969","M17_glu_pos_3":"121240.0781"},{"Metabolite":"N-acetyl-L-glutaminyl-L-glutamine amide","3D7_glu_neg_1":"298059.875","3D7_glu_neg_2":"526439.125","3D7_glu_neg_3":"673406.125","3D7_glu_pos_1":"346058.8125","3D7_glu_pos_2":"546743.0625","3D7_glu_pos_3":"0","M17_glu_neg_1":"601447","M17_glu_neg_2":"698352.5","M17_glu_neg_3":"553622.8125","M17_glu_pos_1":"616030.4375","M17_glu_pos_2":"754888","M17_glu_pos_3":"596241"},{"Metabolite":"N-Acetylputrescine","3D7_glu_neg_1":"2291854.5","3D7_glu_neg_2":"7173297","3D7_glu_neg_3":"5810546.5","3D7_glu_pos_1":"5351101.5","3D7_glu_pos_2":"7952076","3D7_glu_pos_3":"3590936.75","M17_glu_neg_1":"4066071.25","M17_glu_neg_2":"4180204.25","M17_glu_neg_3":"4126865","M17_glu_pos_1":"7033897","M17_glu_pos_2":"9268627","M17_glu_pos_3":"7010597.5"},{"Metabolite":"NADP","3D7_glu_neg_1":"1058935.75","3D7_glu_neg_2":"1716355.875","3D7_glu_neg_3":"1451529.125","3D7_glu_pos_1":"1042307.875","3D7_glu_pos_2":"3277764","3D7_glu_pos_3":"353208.5","M17_glu_neg_1":"1031131.938","M17_glu_neg_2":"1151318.375","M17_glu_neg_3":"980049.375","M17_glu_pos_1":"817493.9375","M17_glu_pos_2":"867724.125","M17_glu_pos_3":"957577.8125"},{"Metabolite":"Ne,Ne dimethyllysine","3D7_glu_neg_1":"452503.9688","3D7_glu_neg_2":"954961.25","3D7_glu_neg_3":"1085123.875","3D7_glu_pos_1":"791726.1875","3D7_glu_pos_2":"1136183.75","3D7_glu_pos_3":"117018.8984","M17_glu_neg_1":"839025.75","M17_glu_neg_2":"823990.75","M17_glu_neg_3":"693514.8125","M17_glu_pos_1":"192569.7188","M17_glu_pos_2":"272929.0938","M17_glu_pos_3":"204855.6875"},{"Metabolite":"Neuraminic acid","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"136187","3D7_glu_pos_2":"195271.9531","3D7_glu_pos_3":"75004.58594","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"0","M17_glu_pos_2":"0","M17_glu_pos_3":"0"},{"Metabolite":"Niacinamide","3D7_glu_neg_1":"1999243.375","3D7_glu_neg_2":"2050855.25","3D7_glu_neg_3":"3282989","3D7_glu_pos_1":"2330922","3D7_glu_pos_2":"2183027.5","3D7_glu_pos_3":"1608991.375","M17_glu_neg_1":"2015136.125","M17_glu_neg_2":"1981929.75","M17_glu_neg_3":"1331317.25","M17_glu_pos_1":"2781260.75","M17_glu_pos_2":"2614529.75","M17_glu_pos_3":"2187276.25"},{"Metabolite":"Nicotinamide ribotide","3D7_glu_neg_1":"384138.2813","3D7_glu_neg_2":"591632.9375","3D7_glu_neg_3":"727657.0625","3D7_glu_pos_1":"668973.375","3D7_glu_pos_2":"876839.4375","3D7_glu_pos_3":"273561.2188","M17_glu_neg_1":"544612.0625","M17_glu_neg_2":"684894.8125","M17_glu_neg_3":"429615.7188","M17_glu_pos_1":"784942.0625","M17_glu_pos_2":"904424.625","M17_glu_pos_3":"889640.625"},{"Metabolite":"N-methyl-L-glutamic Acid","3D7_glu_neg_1":"74895.25781","3D7_glu_neg_2":"130815.3984","3D7_glu_neg_3":"81883.28906","3D7_glu_pos_1":"574045.4375","3D7_glu_pos_2":"754173.625","3D7_glu_pos_3":"551892.125","M17_glu_neg_1":"102762.3984","M17_glu_neg_2":"81240.75","M17_glu_neg_3":"85616.59375","M17_glu_pos_1":"418999.5938","M17_glu_pos_2":"482170.375","M17_glu_pos_3":"474731.5938"},{"Metabolite":"Nopaline","3D7_glu_neg_1":"68261.60156","3D7_glu_neg_2":"133154.3438","3D7_glu_neg_3":"183237.2969","3D7_glu_pos_1":"86871.67188","3D7_glu_pos_2":"176999.9688","3D7_glu_pos_3":"0","M17_glu_neg_1":"130133.0078","M17_glu_neg_2":"182569.1719","M17_glu_neg_3":"100995.6953","M17_glu_pos_1":"0","M17_glu_pos_2":"0","M17_glu_pos_3":"0"},{"Metabolite":"notoamide E","3D7_glu_neg_1":"1259107.625","3D7_glu_neg_2":"1852575.5","3D7_glu_neg_3":"1442513.25","3D7_glu_pos_1":"1530963.5","3D7_glu_pos_2":"1641775","3D7_glu_pos_3":"1422862.625","M17_glu_neg_1":"830302.9375","M17_glu_neg_2":"612013.9375","M17_glu_neg_3":"882507.375","M17_glu_pos_1":"901246.6875","M17_glu_pos_2":"1066141.25","M17_glu_pos_3":"723943.0625"},{"Metabolite":"N-palmitoyl proline","3D7_glu_neg_1":"1148302.5","3D7_glu_neg_2":"1118108.75","3D7_glu_neg_3":"983104.875","3D7_glu_pos_1":"1232901.375","3D7_glu_pos_2":"1097218.875","3D7_glu_pos_3":"1081393.125","M17_glu_neg_1":"1191350.375","M17_glu_neg_2":"1036738.375","M17_glu_neg_3":"1264029.375","M17_glu_pos_1":"935148.3125","M17_glu_pos_2":"1163034.75","M17_glu_pos_3":"1058314"},{"Metabolite":"O-Phosphoethanolamine","3D7_glu_neg_1":"1126788.375","3D7_glu_neg_2":"1754033.625","3D7_glu_neg_3":"1772110.5","3D7_glu_pos_1":"1796663.125","3D7_glu_pos_2":"1835611.25","3D7_glu_pos_3":"695511.6875","M17_glu_neg_1":"1275529.75","M17_glu_neg_2":"1165873.75","M17_glu_neg_3":"1072234","M17_glu_pos_1":"2200710","M17_glu_pos_2":"2661826.5","M17_glu_pos_3":"2102657.25"},{"Metabolite":"Ophthalmic acid","3D7_glu_neg_1":"457650.7813","3D7_glu_neg_2":"861295.6875","3D7_glu_neg_3":"973791.25","3D7_glu_pos_1":"787053.625","3D7_glu_pos_2":"1305255.875","3D7_glu_pos_3":"270749.3125","M17_glu_neg_1":"989751","M17_glu_neg_2":"1111862.875","M17_glu_neg_3":"888436.9375","M17_glu_pos_1":"719358.875","M17_glu_pos_2":"938324.5","M17_glu_pos_3":"750611.1875"},{"Metabolite":"Ornithine","3D7_glu_neg_1":"1703456.75","3D7_glu_neg_2":"3054641.75","3D7_glu_neg_3":"2710560.5","3D7_glu_pos_1":"3105498.75","3D7_glu_pos_2":"4788723","3D7_glu_pos_3":"2573195.75","M17_glu_neg_1":"3146463.25","M17_glu_neg_2":"3108427.75","M17_glu_neg_3":"2392029.25","M17_glu_pos_1":"3015982.5","M17_glu_pos_2":"3691053.25","M17_glu_pos_3":"2908667.75"},{"Metabolite":"Ovalitenin A","3D7_glu_neg_1":"0","3D7_glu_neg_2":"95193.67188","3D7_glu_neg_3":"146164.9219","3D7_glu_pos_1":"0","3D7_glu_pos_2":"113179.1328","3D7_glu_pos_3":"0","M17_glu_neg_1":"93488.23438","M17_glu_neg_2":"237207.9688","M17_glu_neg_3":"113976.5234","M17_glu_pos_1":"88148.23438","M17_glu_pos_2":"97773.71875","M17_glu_pos_3":"97516.10938"},{"Metabolite":"Oxidized glutathione","3D7_glu_neg_1":"1403691","3D7_glu_neg_2":"1842542","3D7_glu_neg_3":"1859277.75","3D7_glu_pos_1":"2376333.75","3D7_glu_pos_2":"3359226","3D7_glu_pos_3":"3505851","M17_glu_neg_1":"1815538.75","M17_glu_neg_2":"1399014","M17_glu_neg_3":"1668712.5","M17_glu_pos_1":"954469.25","M17_glu_pos_2":"1015339","M17_glu_pos_3":"972338.3125"},{"Metabolite":"Palmitoylcarnitine","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"337513.6563","3D7_glu_pos_1":"381222.7188","3D7_glu_pos_2":"681053.75","3D7_glu_pos_3":"264222.0313","M17_glu_neg_1":"779173.8125","M17_glu_neg_2":"869062.1875","M17_glu_neg_3":"841385","M17_glu_pos_1":"836308.25","M17_glu_pos_2":"1108556","M17_glu_pos_3":"864572.5625"},{"Metabolite":"PC(12:0/20:1)","3D7_glu_neg_1":"9343892","3D7_glu_neg_2":"11900000","3D7_glu_neg_3":"12600000","3D7_glu_pos_1":"9765343","3D7_glu_pos_2":"10500000","3D7_glu_pos_3":"3501514.5","M17_glu_neg_1":"9669806","M17_glu_neg_2":"9822662","M17_glu_neg_3":"9086522","M17_glu_pos_1":"7988060","M17_glu_pos_2":"9120087","M17_glu_pos_3":"8746552"},{"Metabolite":"PC(14:0/16:0)","3D7_glu_neg_1":"3846151","3D7_glu_neg_2":"6139139.5","3D7_glu_neg_3":"5215147.5","3D7_glu_pos_1":"3546393","3D7_glu_pos_2":"4180758.75","3D7_glu_pos_3":"1106973.375","M17_glu_neg_1":"4688248.5","M17_glu_neg_2":"4560264.5","M17_glu_neg_3":"4006176.25","M17_glu_pos_1":"2901148.75","M17_glu_pos_2":"2975848.25","M17_glu_pos_3":"3384211.25"},{"Metabolite":"PC(14:0/20:1)","3D7_glu_neg_1":"33300000","3D7_glu_neg_2":"59400000","3D7_glu_neg_3":"61100000","3D7_glu_pos_1":"56200000","3D7_glu_pos_2":"69200000","3D7_glu_pos_3":"16500000","M17_glu_neg_1":"49500000","M17_glu_neg_2":"54500000","M17_glu_neg_3":"45100000","M17_glu_pos_1":"49100000","M17_glu_pos_2":"58400000","M17_glu_pos_3":"56200000"},{"Metabolite":"PC(14:0/20:2)","3D7_glu_neg_1":"54600000","3D7_glu_neg_2":"69100000","3D7_glu_neg_3":"73500000","3D7_glu_pos_1":"73100000","3D7_glu_pos_2":"75300000","3D7_glu_pos_3":"42500000","M17_glu_neg_1":"63800000","M17_glu_neg_2":"61900000","M17_glu_neg_3":"58700000","M17_glu_pos_1":"65500000","M17_glu_pos_2":"79300000","M17_glu_pos_3":"69100000"},{"Metabolite":"PC(14:0/22:1)","3D7_glu_neg_1":"24000000","3D7_glu_neg_2":"27400000","3D7_glu_neg_3":"30500000","3D7_glu_pos_1":"28800000","3D7_glu_pos_2":"31400000","3D7_glu_pos_3":"21400000","M17_glu_neg_1":"26300000","M17_glu_neg_2":"27600000","M17_glu_neg_3":"26000000","M17_glu_pos_1":"28800000","M17_glu_pos_2":"34100000","M17_glu_pos_3":"30400000"},{"Metabolite":"PC(14:0/22:4)","3D7_glu_neg_1":"16200000","3D7_glu_neg_2":"21000000","3D7_glu_neg_3":"22400000","3D7_glu_pos_1":"21600000","3D7_glu_pos_2":"23500000","3D7_glu_pos_3":"12100000","M17_glu_neg_1":"18100000","M17_glu_neg_2":"18200000","M17_glu_neg_3":"17600000","M17_glu_pos_1":"22700000","M17_glu_pos_2":"27300000","M17_glu_pos_3":"22500000"},{"Metabolite":"PC(14:1/15:0)","3D7_glu_neg_1":"841024.1875","3D7_glu_neg_2":"865843","3D7_glu_neg_3":"935835.1875","3D7_glu_pos_1":"723078.8125","3D7_glu_pos_2":"840046.25","3D7_glu_pos_3":"779244.4375","M17_glu_neg_1":"792506.8125","M17_glu_neg_2":"832856.625","M17_glu_neg_3":"726371.1875","M17_glu_pos_1":"636422.25","M17_glu_pos_2":"679143","M17_glu_pos_3":"571485.6875"},{"Metabolite":"PC(16:0/16:0)","3D7_glu_neg_1":"9375524","3D7_glu_neg_2":"15900000","3D7_glu_neg_3":"20000000","3D7_glu_pos_1":"13000000","3D7_glu_pos_2":"18900000","3D7_glu_pos_3":"3457549.25","M17_glu_neg_1":"17600000","M17_glu_neg_2":"19000000","M17_glu_neg_3":"14300000","M17_glu_pos_1":"12900000","M17_glu_pos_2":"15700000","M17_glu_pos_3":"15800000"},{"Metabolite":"PC(16:0/22:4)","3D7_glu_neg_1":"7267136.5","3D7_glu_neg_2":"9053191","3D7_glu_neg_3":"9739055","3D7_glu_pos_1":"9700907","3D7_glu_pos_2":"10800000","3D7_glu_pos_3":"6019551.5","M17_glu_neg_1":"8462290","M17_glu_neg_2":"8625106","M17_glu_neg_3":"7929562.5","M17_glu_pos_1":"9315431","M17_glu_pos_2":"11000000","M17_glu_pos_3":"10000000"},{"Metabolite":"PC(16:0/22:5)","3D7_glu_neg_1":"8360712","3D7_glu_neg_2":"11800000","3D7_glu_neg_3":"11900000","3D7_glu_pos_1":"11400000","3D7_glu_pos_2":"13500000","3D7_glu_pos_3":"4830683","M17_glu_neg_1":"9968798","M17_glu_neg_2":"10400000","M17_glu_neg_3":"9644404","M17_glu_pos_1":"12600000","M17_glu_pos_2":"14300000","M17_glu_pos_3":"12600000"},{"Metabolite":"PC(16:0/22:6)","3D7_glu_neg_1":"6908830.5","3D7_glu_neg_2":"8476396","3D7_glu_neg_3":"10100000","3D7_glu_pos_1":"10000000","3D7_glu_pos_2":"10900000","3D7_glu_pos_3":"5165451","M17_glu_neg_1":"7636012.5","M17_glu_neg_2":"8519151","M17_glu_neg_3":"7549507.5","M17_glu_pos_1":"9056576","M17_glu_pos_2":"10100000","M17_glu_pos_3":"10100000"},{"Metabolite":"PC(17:0/12:0)","3D7_glu_neg_1":"787287.5","3D7_glu_neg_2":"1085866.125","3D7_glu_neg_3":"1217344.625","3D7_glu_pos_1":"1142725.5","3D7_glu_pos_2":"1077411","3D7_glu_pos_3":"1018536","M17_glu_neg_1":"1120918.375","M17_glu_neg_2":"1211468.25","M17_glu_neg_3":"857988.3125","M17_glu_pos_1":"1091226.625","M17_glu_pos_2":"1096443.375","M17_glu_pos_3":"1064056.875"},{"Metabolite":"PC(18:0/22:5)","3D7_glu_neg_1":"1882373.5","3D7_glu_neg_2":"2312235.75","3D7_glu_neg_3":"2303143.75","3D7_glu_pos_1":"2597897.75","3D7_glu_pos_2":"2863496.5","3D7_glu_pos_3":"1482588","M17_glu_neg_1":"2516845.25","M17_glu_neg_2":"2084289.625","M17_glu_neg_3":"2106709.5","M17_glu_pos_1":"2345339","M17_glu_pos_2":"2637953","M17_glu_pos_3":"2887042"},{"Metabolite":"PC(18:0/22:6)","3D7_glu_neg_1":"2646240.5","3D7_glu_neg_2":"3375132","3D7_glu_neg_3":"3503491.25","3D7_glu_pos_1":"3719054.75","3D7_glu_pos_2":"4081059.5","3D7_glu_pos_3":"2252867.75","M17_glu_neg_1":"2862480.5","M17_glu_neg_2":"3353080.25","M17_glu_neg_3":"2915367.75","M17_glu_pos_1":"2969602.75","M17_glu_pos_2":"3707386.25","M17_glu_pos_3":"3737576.25"},{"Metabolite":"PC(18:1/18:1)","3D7_glu_neg_1":"26300000","3D7_glu_neg_2":"30600000","3D7_glu_neg_3":"31700000","3D7_glu_pos_1":"32900000","3D7_glu_pos_2":"35400000","3D7_glu_pos_3":"22300000","M17_glu_neg_1":"28100000","M17_glu_neg_2":"28900000","M17_glu_neg_3":"27100000","M17_glu_pos_1":"28000000","M17_glu_pos_2":"32900000","M17_glu_pos_3":"30200000"},{"Metabolite":"PC(35:6)","3D7_glu_neg_1":"2265494.25","3D7_glu_neg_2":"3182580","3D7_glu_neg_3":"2795962.5","3D7_glu_pos_1":"2570668.75","3D7_glu_pos_2":"2953466.25","3D7_glu_pos_3":"1823149.75","M17_glu_neg_1":"2929655.25","M17_glu_neg_2":"2420814","M17_glu_neg_3":"2782364.75","M17_glu_pos_1":"3015512","M17_glu_pos_2":"2567821.5","M17_glu_pos_3":"2779907.5"},{"Metabolite":"PC(MonoMe(11,3)/MonoMe(11,3))","3D7_glu_neg_1":"3612103","3D7_glu_neg_2":"4527966.5","3D7_glu_neg_3":"4795047","3D7_glu_pos_1":"5007491.5","3D7_glu_pos_2":"5572637.5","3D7_glu_pos_3":"4051762.75","M17_glu_neg_1":"4535842.5","M17_glu_neg_2":"4534527","M17_glu_neg_3":"4136731","M17_glu_pos_1":"4790992.5","M17_glu_pos_2":"5383019","M17_glu_pos_3":"5213816"},{"Metabolite":"PE(14:0/18:0)","3D7_glu_neg_1":"305933.9688","3D7_glu_neg_2":"712892.25","3D7_glu_neg_3":"673458.4375","3D7_glu_pos_1":"440280.2188","3D7_glu_pos_2":"437783.7813","3D7_glu_pos_3":"119696.6563","M17_glu_neg_1":"560681.375","M17_glu_neg_2":"546201.375","M17_glu_neg_3":"538417.125","M17_glu_pos_1":"321153.375","M17_glu_pos_2":"470458.5625","M17_glu_pos_3":"425655.8438"},{"Metabolite":"PE(14:0/20:1)","3D7_glu_neg_1":"8566706","3D7_glu_neg_2":"9630316","3D7_glu_neg_3":"9496151","3D7_glu_pos_1":"8122516.5","3D7_glu_pos_2":"9340981","3D7_glu_pos_3":"5243132.5","M17_glu_neg_1":"8672894","M17_glu_neg_2":"9165290","M17_glu_neg_3":"9034723","M17_glu_pos_1":"8246334.5","M17_glu_pos_2":"9489657","M17_glu_pos_3":"8505163"},{"Metabolite":"PE(14:0/20:3)","3D7_glu_neg_1":"1503078.875","3D7_glu_neg_2":"1542605.5","3D7_glu_neg_3":"1660760.375","3D7_glu_pos_1":"1572290.375","3D7_glu_pos_2":"1622633.625","3D7_glu_pos_3":"542458.875","M17_glu_neg_1":"1651598.375","M17_glu_neg_2":"1364266","M17_glu_neg_3":"1309706.875","M17_glu_pos_1":"1220281.5","M17_glu_pos_2":"1469142.125","M17_glu_pos_3":"1277941.5"},{"Metabolite":"PE(14:0/22:5)","3D7_glu_neg_1":"2255233","3D7_glu_neg_2":"2310984.75","3D7_glu_neg_3":"2408167.5","3D7_glu_pos_1":"2086228.625","3D7_glu_pos_2":"2372987.5","3D7_glu_pos_3":"590873.1875","M17_glu_neg_1":"2599169","M17_glu_neg_2":"2413708.75","M17_glu_neg_3":"2100856.5","M17_glu_pos_1":"2677091.25","M17_glu_pos_2":"2764508.75","M17_glu_pos_3":"2370569.25"},{"Metabolite":"PE(15:0/20:0)","3D7_glu_neg_1":"11000000","3D7_glu_neg_2":"16100000","3D7_glu_neg_3":"19300000","3D7_glu_pos_1":"13000000","3D7_glu_pos_2":"18900000","3D7_glu_pos_3":"2444208.5","M17_glu_neg_1":"16700000","M17_glu_neg_2":"18200000","M17_glu_neg_3":"14600000","M17_glu_pos_1":"12300000","M17_glu_pos_2":"16900000","M17_glu_pos_3":"14600000"},{"Metabolite":"PE(15:0/22:1)","3D7_glu_neg_1":"36800000","3D7_glu_neg_2":"54100000","3D7_glu_neg_3":"59000000","3D7_glu_pos_1":"56200000","3D7_glu_pos_2":"69200000","3D7_glu_pos_3":"15400000","M17_glu_neg_1":"49000000","M17_glu_neg_2":"53100000","M17_glu_neg_3":"45100000","M17_glu_pos_1":"48700000","M17_glu_pos_2":"61400000","M17_glu_pos_3":"54200000"},{"Metabolite":"PE(15:0/22:2)","3D7_glu_neg_1":"11000000","3D7_glu_neg_2":"17900000","3D7_glu_neg_3":"19400000","3D7_glu_pos_1":"18400000","3D7_glu_pos_2":"19800000","3D7_glu_pos_3":"6509553.5","M17_glu_neg_1":"16000000","M17_glu_neg_2":"16200000","M17_glu_neg_3":"14000000","M17_glu_pos_1":"14800000","M17_glu_pos_2":"17800000","M17_glu_pos_3":"18200000"},{"Metabolite":"PE(16:0(9Cp)/16:0(9Cp))","3D7_glu_neg_1":"6967559.5","3D7_glu_neg_2":"7425181","3D7_glu_neg_3":"8519085","3D7_glu_pos_1":"7408994.5","3D7_glu_pos_2":"7464114","3D7_glu_pos_3":"3353757.25","M17_glu_neg_1":"8062464","M17_glu_neg_2":"7408745.5","M17_glu_neg_3":"7615214.5","M17_glu_pos_1":"6454594.5","M17_glu_pos_2":"6656711.5","M17_glu_pos_3":"6819036"},{"Metabolite":"PE(16:0/22:1)","3D7_glu_neg_1":"3193115","3D7_glu_neg_2":"4158516.5","3D7_glu_neg_3":"4488155","3D7_glu_pos_1":"3761734","3D7_glu_pos_2":"4036448","3D7_glu_pos_3":"2083204.25","M17_glu_neg_1":"3821229.5","M17_glu_neg_2":"3494804","M17_glu_neg_3":"2892874.25","M17_glu_pos_1":"3886671.5","M17_glu_pos_2":"4116490.75","M17_glu_pos_3":"3641696.75"},{"Metabolite":"PE(18:1/14:0)","3D7_glu_neg_1":"311748.1875","3D7_glu_neg_2":"410875.25","3D7_glu_neg_3":"446885.1875","3D7_glu_pos_1":"384952.375","3D7_glu_pos_2":"332210.0938","3D7_glu_pos_3":"78127.10938","M17_glu_neg_1":"419484.6563","M17_glu_neg_2":"388970.8125","M17_glu_neg_3":"452555.6563","M17_glu_pos_1":"282185.4375","M17_glu_pos_2":"307780.0625","M17_glu_pos_3":"307681.9688"},{"Metabolite":"PE(19:0)","3D7_glu_neg_1":"3024442.25","3D7_glu_neg_2":"5673245.5","3D7_glu_neg_3":"6697548.5","3D7_glu_pos_1":"4111584.5","3D7_glu_pos_2":"8640910","3D7_glu_pos_3":"2583849.25","M17_glu_neg_1":"2377500","M17_glu_neg_2":"2533959.5","M17_glu_neg_3":"2074136","M17_glu_pos_1":"1688550.75","M17_glu_pos_2":"2510113","M17_glu_pos_3":"1614394.375"},{"Metabolite":"PE(20:4/P-18:1)","3D7_glu_neg_1":"1385608","3D7_glu_neg_2":"1463665.5","3D7_glu_neg_3":"1312421.375","3D7_glu_pos_1":"1684524.375","3D7_glu_pos_2":"1716709.625","3D7_glu_pos_3":"2213213.75","M17_glu_neg_1":"1423977.75","M17_glu_neg_2":"1334755","M17_glu_neg_3":"1457214.75","M17_glu_pos_1":"1780928.625","M17_glu_pos_2":"1836374.75","M17_glu_pos_3":"1406264"},{"Metabolite":"PE(37:1)","3D7_glu_neg_1":"133000000","3D7_glu_neg_2":"169000000","3D7_glu_neg_3":"174000000","3D7_glu_pos_1":"164000000","3D7_glu_pos_2":"174000000","3D7_glu_pos_3":"77600000","M17_glu_neg_1":"145000000","M17_glu_neg_2":"151000000","M17_glu_neg_3":"137000000","M17_glu_pos_1":"158000000","M17_glu_pos_2":"191000000","M17_glu_pos_3":"171000000"},{"Metabolite":"PE(39:1)","3D7_glu_neg_1":"9367969","3D7_glu_neg_2":"14000000","3D7_glu_neg_3":"14800000","3D7_glu_pos_1":"13800000","3D7_glu_pos_2":"17300000","3D7_glu_pos_3":"6171142","M17_glu_neg_1":"12800000","M17_glu_neg_2":"14400000","M17_glu_neg_3":"11900000","M17_glu_pos_1":"12600000","M17_glu_pos_2":"15200000","M17_glu_pos_3":"14500000"},{"Metabolite":"PE(39:2)","3D7_glu_neg_1":"6803807","3D7_glu_neg_2":"10700000","3D7_glu_neg_3":"11300000","3D7_glu_pos_1":"10700000","3D7_glu_pos_2":"13600000","3D7_glu_pos_3":"5234458.5","M17_glu_neg_1":"10100000","M17_glu_neg_2":"10500000","M17_glu_neg_3":"9083168","M17_glu_pos_1":"8682855","M17_glu_pos_2":"11400000","M17_glu_pos_3":"9191728"},{"Metabolite":"PE(O-18:1/20:4)","3D7_glu_neg_1":"2350320.75","3D7_glu_neg_2":"1985649.75","3D7_glu_neg_3":"1980738.875","3D7_glu_pos_1":"2518135","3D7_glu_pos_2":"2712299.5","3D7_glu_pos_3":"3775253.75","M17_glu_neg_1":"2259308.75","M17_glu_neg_2":"1928365.75","M17_glu_neg_3":"2069841.5","M17_glu_pos_1":"2376442.75","M17_glu_pos_2":"2154491.25","M17_glu_pos_3":"2155486.5"},{"Metabolite":"PG(16:0/22:6)","3D7_glu_neg_1":"286487.3438","3D7_glu_neg_2":"216491.6875","3D7_glu_neg_3":"296590.25","3D7_glu_pos_1":"235018.3906","3D7_glu_pos_2":"276181.8125","3D7_glu_pos_3":"150886.5781","M17_glu_neg_1":"262970.5625","M17_glu_neg_2":"281977.3125","M17_glu_neg_3":"246335.4688","M17_glu_pos_1":"276259.2188","M17_glu_pos_2":"252745.8438","M17_glu_pos_3":"228545.9688"},{"Metabolite":"Phe/Asp/His","3D7_glu_neg_1":"0","3D7_glu_neg_2":"66139.72656","3D7_glu_neg_3":"120987","3D7_glu_pos_1":"0","3D7_glu_pos_2":"52706.77344","3D7_glu_pos_3":"0","M17_glu_neg_1":"77855.28906","M17_glu_neg_2":"132987.5","M17_glu_neg_3":"46230.36719","M17_glu_pos_1":"1269873.625","M17_glu_pos_2":"1419382","M17_glu_pos_3":"1481404.375"},{"Metabolite":"Phe/Ile/Lys/Lys/Lys","3D7_glu_neg_1":"3046243.75","3D7_glu_neg_2":"2886770","3D7_glu_neg_3":"2936477.75","3D7_glu_pos_1":"4022825.25","3D7_glu_pos_2":"3971200","3D7_glu_pos_3":"3054046","M17_glu_neg_1":"3524932","M17_glu_neg_2":"2593737","M17_glu_neg_3":"3335039.25","M17_glu_pos_1":"2885192.5","M17_glu_pos_2":"2636966","M17_glu_pos_3":"2406533.75"},{"Metabolite":"phenyl sulfoxide","3D7_glu_neg_1":"663448.4375","3D7_glu_neg_2":"1087195.25","3D7_glu_neg_3":"1048641.875","3D7_glu_pos_1":"1405991.5","3D7_glu_pos_2":"1175461.25","3D7_glu_pos_3":"1478553","M17_glu_neg_1":"1278637","M17_glu_neg_2":"1112275.375","M17_glu_neg_3":"1029201.313","M17_glu_pos_1":"1808872.25","M17_glu_pos_2":"2134457","M17_glu_pos_3":"1789962.625"},{"Metabolite":"Phenylacetaldehyde","3D7_glu_neg_1":"8421283","3D7_glu_neg_2":"15400000","3D7_glu_neg_3":"1545262.375","3D7_glu_pos_1":"12400000","3D7_glu_pos_2":"13300000","3D7_glu_pos_3":"6251080","M17_glu_neg_1":"11200000","M17_glu_neg_2":"2090718.625","M17_glu_neg_3":"19000000","M17_glu_pos_1":"6247286","M17_glu_pos_2":"6588752","M17_glu_pos_3":"17900000"},{"Metabolite":"Phenylalanine","3D7_glu_neg_1":"1330034.25","3D7_glu_neg_2":"3243630.25","3D7_glu_neg_3":"2652995","3D7_glu_pos_1":"3161086.25","3D7_glu_pos_2":"3833460.5","3D7_glu_pos_3":"1663475.125","M17_glu_neg_1":"3014598.75","M17_glu_neg_2":"3605106.75","M17_glu_neg_3":"2441264.5","M17_glu_pos_1":"2851057","M17_glu_pos_2":"3925519","M17_glu_pos_3":"2600291"},{"Metabolite":"Phenylalanyl-Arginine","3D7_glu_neg_1":"0","3D7_glu_neg_2":"37605.27344","3D7_glu_neg_3":"90892.67969","3D7_glu_pos_1":"36306.375","3D7_glu_pos_2":"43976.79688","3D7_glu_pos_3":"0","M17_glu_neg_1":"71488.17969","M17_glu_neg_2":"103079.7109","M17_glu_neg_3":"85626.05469","M17_glu_pos_1":"97959.49219","M17_glu_pos_2":"135163.7656","M17_glu_pos_3":"149601.5625"},{"Metabolite":"Phenylalanyl-Asparagine","3D7_glu_neg_1":"65671.3125","3D7_glu_neg_2":"200778.625","3D7_glu_neg_3":"379750.875","3D7_glu_pos_1":"119615.2266","3D7_glu_pos_2":"217418.1094","3D7_glu_pos_3":"0","M17_glu_neg_1":"173503.8594","M17_glu_neg_2":"731318","M17_glu_neg_3":"246385.9531","M17_glu_pos_1":"606419.1875","M17_glu_pos_2":"846914","M17_glu_pos_3":"548874.5"},{"Metabolite":"Phosphonoacetaldehyde","3D7_glu_neg_1":"456707.8438","3D7_glu_neg_2":"829838.9375","3D7_glu_neg_3":"854113.75","3D7_glu_pos_1":"767465.3125","3D7_glu_pos_2":"772377.125","3D7_glu_pos_3":"130879.9375","M17_glu_neg_1":"344481.9688","M17_glu_neg_2":"428708.8125","M17_glu_neg_3":"419477.2813","M17_glu_pos_1":"779091.5","M17_glu_pos_2":"898161.0625","M17_glu_pos_3":"693137.3125"},{"Metabolite":"Phosphorylcholine","3D7_glu_neg_1":"172000000","3D7_glu_neg_2":"286000000","3D7_glu_neg_3":"316000000","3D7_glu_pos_1":"272000000","3D7_glu_pos_2":"335000000","3D7_glu_pos_3":"34200000","M17_glu_neg_1":"132000000","M17_glu_neg_2":"125000000","M17_glu_neg_3":"121000000","M17_glu_pos_1":"257000000","M17_glu_pos_2":"326000000","M17_glu_pos_3":"234000000"},{"Metabolite":"Picolinamide","3D7_glu_neg_1":"647040.5625","3D7_glu_neg_2":"1223983","3D7_glu_neg_3":"1227798.25","3D7_glu_pos_1":"1237588","3D7_glu_pos_2":"1345428.25","3D7_glu_pos_3":"643157.9375","M17_glu_neg_1":"1032577.125","M17_glu_neg_2":"1049978.875","M17_glu_neg_3":"887462.25","M17_glu_pos_1":"1071012.625","M17_glu_pos_2":"1318317.625","M17_glu_pos_3":"1200200"},{"Metabolite":"Pipecolic acid","3D7_glu_neg_1":"3495512.75","3D7_glu_neg_2":"6860114.5","3D7_glu_neg_3":"6296490.5","3D7_glu_pos_1":"8088969","3D7_glu_pos_2":"6574656.5","3D7_glu_pos_3":"2204535.5","M17_glu_neg_1":"8497224","M17_glu_neg_2":"4291147.5","M17_glu_neg_3":"6083583.5","M17_glu_pos_1":"11200000","M17_glu_pos_2":"15200000","M17_glu_pos_3":"9827173"},{"Metabolite":"Piperidine","3D7_glu_neg_1":"118124.6406","3D7_glu_neg_2":"270126.2188","3D7_glu_neg_3":"231295.875","3D7_glu_pos_1":"231264.9844","3D7_glu_pos_2":"277903.5625","3D7_glu_pos_3":"120936.5391","M17_glu_neg_1":"214178.6406","M17_glu_neg_2":"319940.375","M17_glu_neg_3":"247236.1563","M17_glu_pos_1":"311153.0313","M17_glu_pos_2":"413595.7188","M17_glu_pos_3":"286534.75"},{"Metabolite":"platensimycin","3D7_glu_neg_1":"160529.8438","3D7_glu_neg_2":"193953.2969","3D7_glu_neg_3":"248659.7656","3D7_glu_pos_1":"262808.8438","3D7_glu_pos_2":"258820.625","3D7_glu_pos_3":"0","M17_glu_neg_1":"507471.5313","M17_glu_neg_2":"517790.4688","M17_glu_neg_3":"499173.9688","M17_glu_pos_1":"848316.1875","M17_glu_pos_2":"1090957","M17_glu_pos_3":"905380.125"},{"Metabolite":"Ponatinib","3D7_glu_neg_1":"0","3D7_glu_neg_2":"226964.2031","3D7_glu_neg_3":"376929.875","3D7_glu_pos_1":"73021.625","3D7_glu_pos_2":"295580.2188","3D7_glu_pos_3":"0","M17_glu_neg_1":"232965.2188","M17_glu_neg_2":"453899.0313","M17_glu_neg_3":"257920.4531","M17_glu_pos_1":"576447.4375","M17_glu_pos_2":"702888.1875","M17_glu_pos_3":"611218.4375"},{"Metabolite":"Pro/Arg/His","3D7_glu_neg_1":"168640.6406","3D7_glu_neg_2":"217072.9688","3D7_glu_neg_3":"184773.9688","3D7_glu_pos_1":"183302.7969","3D7_glu_pos_2":"210370.5156","3D7_glu_pos_3":"170542.8438","M17_glu_neg_1":"180528.125","M17_glu_neg_2":"160549.5","M17_glu_neg_3":"140176.3594","M17_glu_pos_1":"152910.1406","M17_glu_pos_2":"142267.5781","M17_glu_pos_3":"141670.9375"},{"Metabolite":"Proclavaminic acid","3D7_glu_neg_1":"2051432","3D7_glu_neg_2":"4423222","3D7_glu_neg_3":"7637505","3D7_glu_pos_1":"2739663.75","3D7_glu_pos_2":"3156219","3D7_glu_pos_3":"67380.21094","M17_glu_neg_1":"5163631.5","M17_glu_neg_2":"6842209.5","M17_glu_neg_3":"4845357","M17_glu_pos_1":"4413200.5","M17_glu_pos_2":"6053764","M17_glu_pos_3":"4670610.5"},{"Metabolite":"Proline","3D7_glu_neg_1":"7029515","3D7_glu_neg_2":"14400000","3D7_glu_neg_3":"13600000","3D7_glu_pos_1":"19800000","3D7_glu_pos_2":"11800000","3D7_glu_pos_3":"24800000","M17_glu_neg_1":"18900000","M17_glu_neg_2":"16700000","M17_glu_neg_3":"13100000","M17_glu_pos_1":"33500000","M17_glu_pos_2":"49100000","M17_glu_pos_3":"28300000"},{"Metabolite":"Proline betaine","3D7_glu_neg_1":"229280.7813","3D7_glu_neg_2":"321083.7813","3D7_glu_neg_3":"372914.5","3D7_glu_pos_1":"580025.1875","3D7_glu_pos_2":"622085.75","3D7_glu_pos_3":"1080425.375","M17_glu_neg_1":"747100.5","M17_glu_neg_2":"491100.75","M17_glu_neg_3":"546544.5625","M17_glu_pos_1":"608517.875","M17_glu_pos_2":"738282.5","M17_glu_pos_3":"583918.1875"},{"Metabolite":"Prolyl-Arginine","3D7_glu_neg_1":"763787.25","3D7_glu_neg_2":"1693420","3D7_glu_neg_3":"2370764.5","3D7_glu_pos_1":"964581.5625","3D7_glu_pos_2":"1490507.875","3D7_glu_pos_3":"0","M17_glu_neg_1":"1857224.125","M17_glu_neg_2":"2772172","M17_glu_neg_3":"1868955.25","M17_glu_pos_1":"1722123","M17_glu_pos_2":"2035035","M17_glu_pos_3":"1895829.125"},{"Metabolite":"Prolyl-Histidine","3D7_glu_neg_1":"1131297.75","3D7_glu_neg_2":"2377308.5","3D7_glu_neg_3":"2865078.25","3D7_glu_pos_1":"1203947.875","3D7_glu_pos_2":"2314627.25","3D7_glu_pos_3":"0","M17_glu_neg_1":"2119943","M17_glu_neg_2":"2881102.25","M17_glu_neg_3":"2138172.75","M17_glu_pos_1":"4188247.5","M17_glu_pos_2":"5868518","M17_glu_pos_3":"5066910.5"},{"Metabolite":"Propionylcarnitine","3D7_glu_neg_1":"112603.9453","3D7_glu_neg_2":"184686.4375","3D7_glu_neg_3":"193236.2656","3D7_glu_pos_1":"237268.9219","3D7_glu_pos_2":"246123.0469","3D7_glu_pos_3":"313606.3438","M17_glu_neg_1":"264611.125","M17_glu_neg_2":"188876.5156","M17_glu_neg_3":"149241.3438","M17_glu_pos_1":"236209.7188","M17_glu_pos_2":"209614.5938","M17_glu_pos_3":"186128.5313"},{"Metabolite":"PS(16:0/18:0)","3D7_glu_neg_1":"4699633","3D7_glu_neg_2":"6856110","3D7_glu_neg_3":"7906067.5","3D7_glu_pos_1":"6007186.5","3D7_glu_pos_2":"6815205","3D7_glu_pos_3":"1702438.875","M17_glu_neg_1":"6613416.5","M17_glu_neg_2":"7108037.5","M17_glu_neg_3":"6028827","M17_glu_pos_1":"6324435.5","M17_glu_pos_2":"8133100.5","M17_glu_pos_3":"7327322.5"},{"Metabolite":"PS(16:0/18:1)","3D7_glu_neg_1":"575148.5625","3D7_glu_neg_2":"741633.25","3D7_glu_neg_3":"615015.9375","3D7_glu_pos_1":"538830.4375","3D7_glu_pos_2":"569275.25","3D7_glu_pos_3":"85778.3125","M17_glu_neg_1":"999933.5","M17_glu_neg_2":"877189.5625","M17_glu_neg_3":"971608.6875","M17_glu_pos_1":"787036.1875","M17_glu_pos_2":"731611.9375","M17_glu_pos_3":"666351.25"},{"Metabolite":"PS(16:0/18:2)","3D7_glu_neg_1":"1811271.375","3D7_glu_neg_2":"2575144","3D7_glu_neg_3":"2523652.5","3D7_glu_pos_1":"1876450","3D7_glu_pos_2":"2439273.25","3D7_glu_pos_3":"388031.8438","M17_glu_neg_1":"2263177.75","M17_glu_neg_2":"2267495","M17_glu_neg_3":"2338113.75","M17_glu_pos_1":"1791760.75","M17_glu_pos_2":"1740255.875","M17_glu_pos_3":"1832157.875"},{"Metabolite":"PS(16:0/20:4)","3D7_glu_neg_1":"215660.6875","3D7_glu_neg_2":"238964.5781","3D7_glu_neg_3":"216252.375","3D7_glu_pos_1":"238786.8125","3D7_glu_pos_2":"210288.375","3D7_glu_pos_3":"97770.42969","M17_glu_neg_1":"324006.5625","M17_glu_neg_2":"286725.6563","M17_glu_neg_3":"295912.9375","M17_glu_pos_1":"323025.6563","M17_glu_pos_2":"293021.9063","M17_glu_pos_3":"232931.9844"},{"Metabolite":"PS(16:0/22:2)","3D7_glu_neg_1":"1403891.125","3D7_glu_neg_2":"2234040","3D7_glu_neg_3":"2318794.25","3D7_glu_pos_1":"2129808.75","3D7_glu_pos_2":"2504194","3D7_glu_pos_3":"820010","M17_glu_neg_1":"2175851.25","M17_glu_neg_2":"1993371.625","M17_glu_neg_3":"1882059.125","M17_glu_pos_1":"2146731.25","M17_glu_pos_2":"2747247.75","M17_glu_pos_3":"2151055.5"},{"Metabolite":"PS(16:1/22:0)","3D7_glu_neg_1":"482780.0313","3D7_glu_neg_2":"586058.0625","3D7_glu_neg_3":"640649.1875","3D7_glu_pos_1":"629495.0625","3D7_glu_pos_2":"726814.75","3D7_glu_pos_3":"262624.875","M17_glu_neg_1":"606017.4375","M17_glu_neg_2":"696289.4375","M17_glu_neg_3":"570676.5","M17_glu_pos_1":"701619.75","M17_glu_pos_2":"713309.8125","M17_glu_pos_3":"665692.125"},{"Metabolite":"PS(18:0/18:0)","3D7_glu_neg_1":"7129830.5","3D7_glu_neg_2":"10000000","3D7_glu_neg_3":"11300000","3D7_glu_pos_1":"9909824","3D7_glu_pos_2":"12000000","3D7_glu_pos_3":"3360455.25","M17_glu_neg_1":"9952788","M17_glu_neg_2":"10900000","M17_glu_neg_3":"10100000","M17_glu_pos_1":"10000000","M17_glu_pos_2":"11800000","M17_glu_pos_3":"10600000"},{"Metabolite":"PS(18:0/18:1)","3D7_glu_neg_1":"1000339.5","3D7_glu_neg_2":"1314947.75","3D7_glu_neg_3":"1142758.875","3D7_glu_pos_1":"981436.3125","3D7_glu_pos_2":"1099715","3D7_glu_pos_3":"378937.5625","M17_glu_neg_1":"1639975","M17_glu_neg_2":"1611886.375","M17_glu_neg_3":"1669631","M17_glu_pos_1":"1557477.125","M17_glu_pos_2":"1670151.625","M17_glu_pos_3":"1460877.5"},{"Metabolite":"PS(18:0/18:2)","3D7_glu_neg_1":"10200000","3D7_glu_neg_2":"12300000","3D7_glu_neg_3":"14400000","3D7_glu_pos_1":"12500000","3D7_glu_pos_2":"13300000","3D7_glu_pos_3":"5481735","M17_glu_neg_1":"12100000","M17_glu_neg_2":"12700000","M17_glu_neg_3":"11600000","M17_glu_pos_1":"11600000","M17_glu_pos_2":"13100000","M17_glu_pos_3":"12700000"},{"Metabolite":"PS(18:0/20:4)","3D7_glu_neg_1":"807953.0625","3D7_glu_neg_2":"939990","3D7_glu_neg_3":"990294.4375","3D7_glu_pos_1":"892371.4375","3D7_glu_pos_2":"979746.125","3D7_glu_pos_3":"711608.875","M17_glu_neg_1":"1366649.5","M17_glu_neg_2":"1179380","M17_glu_neg_3":"1233067.25","M17_glu_pos_1":"913942.8125","M17_glu_pos_2":"1491617.625","M17_glu_pos_3":"1183720.625"},{"Metabolite":"PS(52:0)","3D7_glu_neg_1":"657338.3125","3D7_glu_neg_2":"797538.75","3D7_glu_neg_3":"950930.1875","3D7_glu_pos_1":"695321.3125","3D7_glu_pos_2":"1095970.125","3D7_glu_pos_3":"191090.9063","M17_glu_neg_1":"927520.25","M17_glu_neg_2":"955752.9375","M17_glu_neg_3":"773934.8125","M17_glu_pos_1":"645999.5625","M17_glu_pos_2":"747479.6875","M17_glu_pos_3":"539150.1875"},{"Metabolite":"psicoselysine","3D7_glu_neg_1":"235499.0469","3D7_glu_neg_2":"519255.5625","3D7_glu_neg_3":"457192.0313","3D7_glu_pos_1":"341436.625","3D7_glu_pos_2":"780818.8125","3D7_glu_pos_3":"153425.7656","M17_glu_neg_1":"336372.3438","M17_glu_neg_2":"525815.125","M17_glu_neg_3":"328920.0313","M17_glu_pos_1":"579135.5625","M17_glu_pos_2":"661035.5","M17_glu_pos_3":"586463.4375"},{"Metabolite":"Pyridoxal","3D7_glu_neg_1":"53594.4375","3D7_glu_neg_2":"173127.7031","3D7_glu_neg_3":"131064.0469","3D7_glu_pos_1":"161553.6094","3D7_glu_pos_2":"315303.0313","3D7_glu_pos_3":"94430.30469","M17_glu_neg_1":"166580.8594","M17_glu_neg_2":"150180.25","M17_glu_neg_3":"150476.1406","M17_glu_pos_1":"226108.7969","M17_glu_pos_2":"252538.3281","M17_glu_pos_3":"230194.2188"},{"Metabolite":"Pyroglutamic acid","3D7_glu_neg_1":"628431.0625","3D7_glu_neg_2":"685980.9375","3D7_glu_neg_3":"649803.625","3D7_glu_pos_1":"1351356.875","3D7_glu_pos_2":"1410435.875","3D7_glu_pos_3":"2396516.25","M17_glu_neg_1":"2064877.75","M17_glu_neg_2":"1651230.75","M17_glu_neg_3":"1617154.375","M17_glu_pos_1":"2059605.125","M17_glu_pos_2":"2740363.5","M17_glu_pos_3":"1793065.75"},{"Metabolite":"quinocarcin","3D7_glu_neg_1":"106183.4375","3D7_glu_neg_2":"225879.2344","3D7_glu_neg_3":"251587.4375","3D7_glu_pos_1":"191051.2344","3D7_glu_pos_2":"227601.2656","3D7_glu_pos_3":"0","M17_glu_neg_1":"193787.9844","M17_glu_neg_2":"188600.375","M17_glu_neg_3":"174208.1094","M17_glu_pos_1":"149092.7656","M17_glu_pos_2":"176309.7813","M17_glu_pos_3":"125318.9688"},{"Metabolite":"Rhamnose","3D7_glu_neg_1":"46200000","3D7_glu_neg_2":"78000000","3D7_glu_neg_3":"4882488.5","3D7_glu_pos_1":"61600000","3D7_glu_pos_2":"64200000","3D7_glu_pos_3":"29800000","M17_glu_neg_1":"61700000","M17_glu_neg_2":"2102851","M17_glu_neg_3":"97500000","M17_glu_pos_1":"33400000","M17_glu_pos_2":"30900000","M17_glu_pos_3":"81300000"},{"Metabolite":"Serine","3D7_glu_neg_1":"2914205.5","3D7_glu_neg_2":"5085860.5","3D7_glu_neg_3":"5528813.5","3D7_glu_pos_1":"5367056.5","3D7_glu_pos_2":"5785971","3D7_glu_pos_3":"4501506","M17_glu_neg_1":"5191902.5","M17_glu_neg_2":"5253839","M17_glu_neg_3":"4137655","M17_glu_pos_1":"3805407.25","M17_glu_pos_2":"6152397.5","M17_glu_pos_3":"4093403.5"},{"Metabolite":"Serylarginine","3D7_glu_neg_1":"245767.4688","3D7_glu_neg_2":"558741.0625","3D7_glu_neg_3":"974225.3125","3D7_glu_pos_1":"328109.7813","3D7_glu_pos_2":"648931.6875","3D7_glu_pos_3":"0","M17_glu_neg_1":"774675.3125","M17_glu_neg_2":"1881502.125","M17_glu_neg_3":"1112556.25","M17_glu_pos_1":"730423.0625","M17_glu_pos_2":"1000464.25","M17_glu_pos_3":"768397.3125"},{"Metabolite":"Slaframine","3D7_glu_neg_1":"371010.125","3D7_glu_neg_2":"465280.0625","3D7_glu_neg_3":"410507.9688","3D7_glu_pos_1":"1048876.25","3D7_glu_pos_2":"934713.6875","3D7_glu_pos_3":"1520122.625","M17_glu_neg_1":"1146292.625","M17_glu_neg_2":"739153.3125","M17_glu_neg_3":"693222","M17_glu_pos_1":"728321.625","M17_glu_pos_2":"1201699.125","M17_glu_pos_3":"1046062.5"},{"Metabolite":"SM(d16:0/20:0)","3D7_glu_neg_1":"691717.75","3D7_glu_neg_2":"849089.4375","3D7_glu_neg_3":"1109074","3D7_glu_pos_1":"1021940.125","3D7_glu_pos_2":"1164955.625","3D7_glu_pos_3":"1310787","M17_glu_neg_1":"1428693.25","M17_glu_neg_2":"1604817.375","M17_glu_neg_3":"1274556.75","M17_glu_pos_1":"2734457.75","M17_glu_pos_2":"3500727.5","M17_glu_pos_3":"2754396.75"},{"Metabolite":"SM(d16:1/22:0)","3D7_glu_neg_1":"981878.4375","3D7_glu_neg_2":"1297659.625","3D7_glu_neg_3":"1462017.25","3D7_glu_pos_1":"1209659.25","3D7_glu_pos_2":"1506228.625","3D7_glu_pos_3":"888550.75","M17_glu_neg_1":"1577069.75","M17_glu_neg_2":"1507898.125","M17_glu_neg_3":"1459460.25","M17_glu_pos_1":"1567877.75","M17_glu_pos_2":"2064252.375","M17_glu_pos_3":"1624325.875"},{"Metabolite":"SM(d16:1/24:0)","3D7_glu_neg_1":"4327623.5","3D7_glu_neg_2":"6024014","3D7_glu_neg_3":"6720467","3D7_glu_pos_1":"5617205.5","3D7_glu_pos_2":"6396452","3D7_glu_pos_3":"3913367.5","M17_glu_neg_1":"8345328","M17_glu_neg_2":"8341156.5","M17_glu_neg_3":"6716190.5","M17_glu_pos_1":"8196747","M17_glu_pos_2":"9521761","M17_glu_pos_3":"8330397"},{"Metabolite":"SM(d18:1/14:0)","3D7_glu_neg_1":"2086455","3D7_glu_neg_2":"2936026.25","3D7_glu_neg_3":"3609758","3D7_glu_pos_1":"4363955","3D7_glu_pos_2":"4251632","3D7_glu_pos_3":"2607725.5","M17_glu_neg_1":"2989332.75","M17_glu_neg_2":"2682892.25","M17_glu_neg_3":"3325270.75","M17_glu_pos_1":"2790760.25","M17_glu_pos_2":"3002224","M17_glu_pos_3":"3244493.5"},{"Metabolite":"SM(d18:1/18:0)","3D7_glu_neg_1":"2691208","3D7_glu_neg_2":"4386904.5","3D7_glu_neg_3":"4467745","3D7_glu_pos_1":"4191977.25","3D7_glu_pos_2":"5330326","3D7_glu_pos_3":"3304848","M17_glu_neg_1":"5142100.5","M17_glu_neg_2":"4692317","M17_glu_neg_3":"4003544","M17_glu_pos_1":"5145487.5","M17_glu_pos_2":"5338543","M17_glu_pos_3":"6109790"},{"Metabolite":"SM(d18:1/20:1)","3D7_glu_neg_1":"441582.6563","3D7_glu_neg_2":"572677.3125","3D7_glu_neg_3":"722023.5625","3D7_glu_pos_1":"739187.25","3D7_glu_pos_2":"813676.9375","3D7_glu_pos_3":"583695.5","M17_glu_neg_1":"807756.4375","M17_glu_neg_2":"741582.125","M17_glu_neg_3":"641052.8125","M17_glu_pos_1":"809280.375","M17_glu_pos_2":"906839.625","M17_glu_pos_3":"822615.4375"},{"Metabolite":"SM(d18:1/23:0)","3D7_glu_neg_1":"955396.0625","3D7_glu_neg_2":"1363720.625","3D7_glu_neg_3":"1579654.875","3D7_glu_pos_1":"1190224.75","3D7_glu_pos_2":"1349773.625","3D7_glu_pos_3":"982889.0625","M17_glu_neg_1":"1797434.25","M17_glu_neg_2":"1727945.625","M17_glu_neg_3":"1620688.625","M17_glu_pos_1":"1941903.875","M17_glu_pos_2":"2205368.25","M17_glu_pos_3":"1778200.375"},{"Metabolite":"SM(d18:1/24:0)","3D7_glu_neg_1":"9243303","3D7_glu_neg_2":"12300000","3D7_glu_neg_3":"14300000","3D7_glu_pos_1":"12000000","3D7_glu_pos_2":"10900000","3D7_glu_pos_3":"8188683.5","M17_glu_neg_1":"18300000","M17_glu_neg_2":"17500000","M17_glu_neg_3":"15900000","M17_glu_pos_1":"17500000","M17_glu_pos_2":"20000000","M17_glu_pos_3":"16700000"},{"Metabolite":"SM(d18:1/26:0)","3D7_glu_neg_1":"366434.4063","3D7_glu_neg_2":"526173.375","3D7_glu_neg_3":"572329.625","3D7_glu_pos_1":"501877.875","3D7_glu_pos_2":"414887.5313","3D7_glu_pos_3":"288961.9063","M17_glu_neg_1":"617956.875","M17_glu_neg_2":"642908.9375","M17_glu_neg_3":"697135.875","M17_glu_pos_1":"713758.4375","M17_glu_pos_2":"728944.3125","M17_glu_pos_3":"594307.3125"},{"Metabolite":"SM(d18:1/26:1)","3D7_glu_neg_1":"544496.75","3D7_glu_neg_2":"679011.0625","3D7_glu_neg_3":"833534.9375","3D7_glu_pos_1":"708654.5625","3D7_glu_pos_2":"869818","3D7_glu_pos_3":"421324.5938","M17_glu_neg_1":"978820.0625","M17_glu_neg_2":"1013243.063","M17_glu_neg_3":"818139.8125","M17_glu_pos_1":"1008599.313","M17_glu_pos_2":"1253153.75","M17_glu_pos_3":"873670.625"},{"Metabolite":"SM(d18:2/18:0)","3D7_glu_neg_1":"1338768.25","3D7_glu_neg_2":"1971087.75","3D7_glu_neg_3":"2069313.125","3D7_glu_pos_1":"2241566","3D7_glu_pos_2":"2176108.5","3D7_glu_pos_3":"1448117.25","M17_glu_neg_1":"1992440.625","M17_glu_neg_2":"2264358.75","M17_glu_neg_3":"1591780.375","M17_glu_pos_1":"1639709.5","M17_glu_pos_2":"2190093.5","M17_glu_pos_3":"2476622.75"},{"Metabolite":"SM(d18:2/22:0)","3D7_glu_neg_1":"2082427.125","3D7_glu_neg_2":"2952906.75","3D7_glu_neg_3":"3230829.25","3D7_glu_pos_1":"2787226.75","3D7_glu_pos_2":"2844489.5","3D7_glu_pos_3":"1676762.25","M17_glu_neg_1":"3471140","M17_glu_neg_2":"3013743.25","M17_glu_neg_3":"2867018.75","M17_glu_pos_1":"3496072.75","M17_glu_pos_2":"4004312.75","M17_glu_pos_3":"3672174.25"},{"Metabolite":"SM(d18:2/23:0)","3D7_glu_neg_1":"908208.9375","3D7_glu_neg_2":"1028961.563","3D7_glu_neg_3":"1111710.875","3D7_glu_pos_1":"1012346.313","3D7_glu_pos_2":"1057435.25","3D7_glu_pos_3":"641402.375","M17_glu_neg_1":"1383899.5","M17_glu_neg_2":"1171135","M17_glu_neg_3":"1070547.625","M17_glu_pos_1":"1437818.375","M17_glu_pos_2":"1380676.375","M17_glu_pos_3":"1200136.25"},{"Metabolite":"SM(d18:2/24:0)","3D7_glu_neg_1":"14700000","3D7_glu_neg_2":"19200000","3D7_glu_neg_3":"21400000","3D7_glu_pos_1":"17200000","3D7_glu_pos_2":"19900000","3D7_glu_pos_3":"11300000","M17_glu_neg_1":"25300000","M17_glu_neg_2":"21600000","M17_glu_neg_3":"20200000","M17_glu_pos_1":"27500000","M17_glu_pos_2":"28000000","M17_glu_pos_3":"24100000"},{"Metabolite":"SM(d18:2/25:0)","3D7_glu_neg_1":"285404.9375","3D7_glu_neg_2":"360433.875","3D7_glu_neg_3":"454160.75","3D7_glu_pos_1":"335757.0313","3D7_glu_pos_2":"374351.1875","3D7_glu_pos_3":"254276.875","M17_glu_neg_1":"514598.75","M17_glu_neg_2":"578156.4375","M17_glu_neg_3":"401425.6875","M17_glu_pos_1":"484532.1875","M17_glu_pos_2":"559403.375","M17_glu_pos_3":"421390.4063"},{"Metabolite":"SM(d42:3)","3D7_glu_neg_1":"3360943","3D7_glu_neg_2":"4002689","3D7_glu_neg_3":"4379148.5","3D7_glu_pos_1":"3797455.5","3D7_glu_pos_2":"3801283.75","3D7_glu_pos_3":"2253479","M17_glu_neg_1":"5440724.5","M17_glu_neg_2":"4635488.5","M17_glu_neg_3":"4605264","M17_glu_pos_1":"6216179","M17_glu_pos_2":"5659604","M17_glu_pos_3":"5272084.5"},{"Metabolite":"sn-glycero-3-Phosphoethanolamine","3D7_glu_neg_1":"50874.32813","3D7_glu_neg_2":"108235.9688","3D7_glu_neg_3":"91013.92969","3D7_glu_pos_1":"170930.8125","3D7_glu_pos_2":"158854.1875","3D7_glu_pos_3":"227982.5625","M17_glu_neg_1":"124679.6016","M17_glu_neg_2":"105157.8125","M17_glu_neg_3":"79567.92188","M17_glu_pos_1":"350422.375","M17_glu_pos_2":"391570.5313","M17_glu_pos_3":"284998.75"},{"Metabolite":"Stearoylcarnitine","3D7_glu_neg_1":"321666.0625","3D7_glu_neg_2":"0","3D7_glu_neg_3":"504963","3D7_glu_pos_1":"559220.5","3D7_glu_pos_2":"522470.9375","3D7_glu_pos_3":"828563.875","M17_glu_neg_1":"1100095.75","M17_glu_neg_2":"1466751.5","M17_glu_neg_3":"728056.8125","M17_glu_pos_1":"1720380.625","M17_glu_pos_2":"1877398.25","M17_glu_pos_3":"1540578.875"},{"Metabolite":"Styrene Oxide","3D7_glu_neg_1":"1764793","3D7_glu_neg_2":"3246437.75","3D7_glu_neg_3":"913325.875","3D7_glu_pos_1":"3021846.75","3D7_glu_pos_2":"3021328.5","3D7_glu_pos_3":"1706152.625","M17_glu_neg_1":"3176729","M17_glu_neg_2":"1239211.75","M17_glu_neg_3":"4852211","M17_glu_pos_1":"2484655","M17_glu_pos_2":"2550045.75","M17_glu_pos_3":"3284982.5"},{"Metabolite":"Succinyladenosine","3D7_glu_neg_1":"593632.375","3D7_glu_neg_2":"902548.1875","3D7_glu_neg_3":"1000799.688","3D7_glu_pos_1":"670922.5625","3D7_glu_pos_2":"798139.5","3D7_glu_pos_3":"158938.3438","M17_glu_neg_1":"759970.75","M17_glu_neg_2":"632277.0625","M17_glu_neg_3":"585851.125","M17_glu_pos_1":"410872.5938","M17_glu_pos_2":"590604.9375","M17_glu_pos_3":"429038.0625"},{"Metabolite":"Sulfinpyrazone sulfide","3D7_glu_neg_1":"677587.125","3D7_glu_neg_2":"951925.375","3D7_glu_neg_3":"1017035.813","3D7_glu_pos_1":"846103.9375","3D7_glu_pos_2":"1142184.25","3D7_glu_pos_3":"112713.25","M17_glu_neg_1":"967543.8125","M17_glu_neg_2":"752927.1875","M17_glu_neg_3":"735908.9375","M17_glu_pos_1":"509431.7813","M17_glu_pos_2":"577611.25","M17_glu_pos_3":"548925.375"},{"Metabolite":"Temurin","3D7_glu_neg_1":"71484.125","3D7_glu_neg_2":"248487.5469","3D7_glu_neg_3":"183321.9531","3D7_glu_pos_1":"116084.2188","3D7_glu_pos_2":"229506.7031","3D7_glu_pos_3":"0","M17_glu_neg_1":"130586.8203","M17_glu_neg_2":"141130.7656","M17_glu_neg_3":"94892.9375","M17_glu_pos_1":"360036.1563","M17_glu_pos_2":"467942.25","M17_glu_pos_3":"305298.875"},{"Metabolite":"Tetraethylene glycol","3D7_glu_neg_1":"1109588","3D7_glu_neg_2":"564275.1875","3D7_glu_neg_3":"826268.1875","3D7_glu_pos_1":"722369.6875","3D7_glu_pos_2":"289497.5625","3D7_glu_pos_3":"817355.75","M17_glu_neg_1":"641323.375","M17_glu_neg_2":"388474.125","M17_glu_neg_3":"994367.8125","M17_glu_pos_1":"669636.875","M17_glu_pos_2":"626214.125","M17_glu_pos_3":"664843.8125"},{"Metabolite":"Thr/Ala/Pro","3D7_glu_neg_1":"410963.875","3D7_glu_neg_2":"770261.9375","3D7_glu_neg_3":"892477.5625","3D7_glu_pos_1":"507100.0625","3D7_glu_pos_2":"764400.5625","3D7_glu_pos_3":"0","M17_glu_neg_1":"1538741.25","M17_glu_neg_2":"1774043","M17_glu_neg_3":"1449369","M17_glu_pos_1":"12000000","M17_glu_pos_2":"14500000","M17_glu_pos_3":"12600000"},{"Metabolite":"Thr/Ala/Ser","3D7_glu_neg_1":"22067.2832","3D7_glu_neg_2":"53584.5625","3D7_glu_neg_3":"73526.61719","3D7_glu_pos_1":"25208.16602","3D7_glu_pos_2":"76891.92969","3D7_glu_pos_3":"0","M17_glu_neg_1":"85499.98438","M17_glu_neg_2":"111893.9219","M17_glu_neg_3":"65164.73047","M17_glu_pos_1":"0","M17_glu_pos_2":"55472.29688","M17_glu_pos_3":"32006.04883"},{"Metabolite":"Thr/Thr/Ala","3D7_glu_neg_1":"72061.50781","3D7_glu_neg_2":"108338.375","3D7_glu_neg_3":"161494.125","3D7_glu_pos_1":"74611.14063","3D7_glu_pos_2":"106979.7813","3D7_glu_pos_3":"0","M17_glu_neg_1":"150536","M17_glu_neg_2":"146687.6719","M17_glu_neg_3":"117204.3125","M17_glu_pos_1":"115238.6094","M17_glu_pos_2":"163012.4063","M17_glu_pos_3":"141235.2188"},{"Metabolite":"Thr/Trp/Cys","3D7_glu_neg_1":"87832.90625","3D7_glu_neg_2":"192467.5469","3D7_glu_neg_3":"177537.8281","3D7_glu_pos_1":"159791.0156","3D7_glu_pos_2":"234265.375","3D7_glu_pos_3":"104621.9375","M17_glu_neg_1":"152788.7813","M17_glu_neg_2":"175323.6563","M17_glu_neg_3":"140409.375","M17_glu_pos_1":"160891.2969","M17_glu_pos_2":"256977.5781","M17_glu_pos_3":"186283.4688"},{"Metabolite":"Thr/Trp/Pro","3D7_glu_neg_1":"60288.45313","3D7_glu_neg_2":"143660.1563","3D7_glu_neg_3":"177329.5156","3D7_glu_pos_1":"119155.2734","3D7_glu_pos_2":"174037.7656","3D7_glu_pos_3":"42804.33594","M17_glu_neg_1":"137845.0313","M17_glu_neg_2":"356740.7188","M17_glu_neg_3":"181833.1094","M17_glu_pos_1":"2037701.375","M17_glu_pos_2":"2372187.75","M17_glu_pos_3":"2391358.25"},{"Metabolite":"Threoninyl-Alanine","3D7_glu_neg_1":"122754.3438","3D7_glu_neg_2":"222438.4688","3D7_glu_neg_3":"238237.9063","3D7_glu_pos_1":"174699.9375","3D7_glu_pos_2":"270185.5","3D7_glu_pos_3":"10108.72949","M17_glu_neg_1":"179596.2188","M17_glu_neg_2":"200050.9688","M17_glu_neg_3":"160665.3594","M17_glu_pos_1":"129140.5469","M17_glu_pos_2":"151927.8281","M17_glu_pos_3":"141678.8438"},{"Metabolite":"Threoninyl-Arginine","3D7_glu_neg_1":"177861.0625","3D7_glu_neg_2":"307991.2813","3D7_glu_neg_3":"598153.5","3D7_glu_pos_1":"191099.0156","3D7_glu_pos_2":"297116.3125","3D7_glu_pos_3":"0","M17_glu_neg_1":"439422.3438","M17_glu_neg_2":"800025.25","M17_glu_neg_3":"594225.3125","M17_glu_pos_1":"262612.25","M17_glu_pos_2":"354850.5313","M17_glu_pos_3":"303795.1875"},{"Metabolite":"Threoninyl-Tryptophan","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"0","M17_glu_neg_3":"0","M17_glu_pos_1":"901215.125","M17_glu_pos_2":"915670.3125","M17_glu_pos_3":"1040840.063"},{"Metabolite":"Threoninyl-Tyrosine","3D7_glu_neg_1":"49321.38672","3D7_glu_neg_2":"68745.66406","3D7_glu_neg_3":"100830.8594","3D7_glu_pos_1":"40529.29297","3D7_glu_pos_2":"64879.25","3D7_glu_pos_3":"0","M17_glu_neg_1":"114823.2109","M17_glu_neg_2":"215314.4219","M17_glu_neg_3":"154436.1406","M17_glu_pos_1":"344653.875","M17_glu_pos_2":"348589.9375","M17_glu_pos_3":"328429.5"},{"Metabolite":"Tributyl phosphate","3D7_glu_neg_1":"839293.0625","3D7_glu_neg_2":"1263769.25","3D7_glu_neg_3":"0","3D7_glu_pos_1":"777354.0625","3D7_glu_pos_2":"722519.4375","3D7_glu_pos_3":"405623.6563","M17_glu_neg_1":"956692.75","M17_glu_neg_2":"814053.5","M17_glu_neg_3":"0","M17_glu_pos_1":"812286.875","M17_glu_pos_2":"0","M17_glu_pos_3":"715280.125"},{"Metabolite":"Tryptophan","3D7_glu_neg_1":"516712.25","3D7_glu_neg_2":"1343087.875","3D7_glu_neg_3":"1019572.5","3D7_glu_pos_1":"1472454.5","3D7_glu_pos_2":"1716825.75","3D7_glu_pos_3":"1433549.5","M17_glu_neg_1":"1580540.5","M17_glu_neg_2":"1373094.75","M17_glu_neg_3":"1162040","M17_glu_pos_1":"1682360.125","M17_glu_pos_2":"2178861.5","M17_glu_pos_3":"1599331"},{"Metabolite":"Tryptophyl-Asparagine","3D7_glu_neg_1":"165481.3438","3D7_glu_neg_2":"457125.5","3D7_glu_neg_3":"749500.625","3D7_glu_pos_1":"283226.5313","3D7_glu_pos_2":"455067.5625","3D7_glu_pos_3":"62506.25781","M17_glu_neg_1":"404439.6875","M17_glu_neg_2":"1086585.375","M17_glu_neg_3":"678814.8125","M17_glu_pos_1":"854540.8125","M17_glu_pos_2":"956107.5","M17_glu_pos_3":"1033267.563"},{"Metabolite":"Tyrosine","3D7_glu_neg_1":"2372974.5","3D7_glu_neg_2":"6209251.5","3D7_glu_neg_3":"5273481","3D7_glu_pos_1":"6259801.5","3D7_glu_pos_2":"12400000","3D7_glu_pos_3":"5167846.5","M17_glu_neg_1":"5572601","M17_glu_neg_2":"5734034.5","M17_glu_neg_3":"4721542","M17_glu_pos_1":"3805745.75","M17_glu_pos_2":"4867914.5","M17_glu_pos_3":"3975435.75"},{"Metabolite":"Ureidosuccinic acid","3D7_glu_neg_1":"458551.8438","3D7_glu_neg_2":"924667.25","3D7_glu_neg_3":"752260.625","3D7_glu_pos_1":"885851.125","3D7_glu_pos_2":"1051392.5","3D7_glu_pos_3":"59072.21484","M17_glu_neg_1":"783332.25","M17_glu_neg_2":"424770.3438","M17_glu_neg_3":"494490.125","M17_glu_pos_1":"744509.625","M17_glu_pos_2":"1123414.875","M17_glu_pos_3":"838033.75"},{"Metabolite":"Val/Asp/His","3D7_glu_neg_1":"28696.72656","3D7_glu_neg_2":"51236.72656","3D7_glu_neg_3":"106701.4375","3D7_glu_pos_1":"38398.03906","3D7_glu_pos_2":"38764.80859","3D7_glu_pos_3":"0","M17_glu_neg_1":"57281.62109","M17_glu_neg_2":"123697.9609","M17_glu_neg_3":"100085.7031","M17_glu_pos_1":"829624","M17_glu_pos_2":"1073425.75","M17_glu_pos_3":"859607"},{"Metabolite":"Valclavam","3D7_glu_neg_1":"0","3D7_glu_neg_2":"0","3D7_glu_neg_3":"0","3D7_glu_pos_1":"0","3D7_glu_pos_2":"0","3D7_glu_pos_3":"0","M17_glu_neg_1":"0","M17_glu_neg_2":"34536.41016","M17_glu_neg_3":"0","M17_glu_pos_1":"462184.6875","M17_glu_pos_2":"518666.625","M17_glu_pos_3":"491639.4375"},{"Metabolite":"Valine","3D7_glu_neg_1":"4010064.25","3D7_glu_neg_2":"6132599.5","3D7_glu_neg_3":"7461004","3D7_glu_pos_1":"6383930","3D7_glu_pos_2":"5504687.5","3D7_glu_pos_3":"3542982","M17_glu_neg_1":"6629984.5","M17_glu_neg_2":"7036102","M17_glu_neg_3":"6746710.5","M17_glu_pos_1":"8697564","M17_glu_pos_2":"12100000","M17_glu_pos_3":"8821316"},{"Metabolite":"Valyl-Arginine","3D7_glu_neg_1":"1029150.5","3D7_glu_neg_2":"2345494.25","3D7_glu_neg_3":"4263027.5","3D7_glu_pos_1":"1149330.625","3D7_glu_pos_2":"2356237.5","3D7_glu_pos_3":"0","M17_glu_neg_1":"3872948","M17_glu_neg_2":"6156224","M17_glu_neg_3":"3992400.75","M17_glu_pos_1":"1126828.125","M17_glu_pos_2":"1810826.875","M17_glu_pos_3":"1351027.125"},{"Metabolite":"Valyl-Valine","3D7_glu_neg_1":"0","3D7_glu_neg_2":"298685.5625","3D7_glu_neg_3":"341127.875","3D7_glu_pos_1":"0","3D7_glu_pos_2":"448612.3125","3D7_glu_pos_3":"0","M17_glu_neg_1":"45886.03906","M17_glu_neg_2":"490703.125","M17_glu_neg_3":"413115.75","M17_glu_pos_1":"401411.625","M17_glu_pos_2":"498848.0938","M17_glu_pos_3":"516907.125"},{"Metabolite":"xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole","3D7_glu_neg_1":"148492.2344","3D7_glu_neg_2":"561972.125","3D7_glu_neg_3":"497245.1563","3D7_glu_pos_1":"512614.4375","3D7_glu_pos_2":"800100.125","3D7_glu_pos_3":"583683","M17_glu_neg_1":"297020.125","M17_glu_neg_2":"473599.0938","M17_glu_neg_3":"353102","M17_glu_pos_1":"645503.8125","M17_glu_pos_2":"756252.625","M17_glu_pos_3":"656405.875"}],

"Metabolites":[{"Metabolite":"4-Hydroxy-2-butynal","retention time":"13.87136046","mass":"84.02102584","KEGGid":"C02648","HMDBID":"0","Lmid":"0","InchiKEY":"QAPQYLWHUDXNHY-UHFFFAOYSA-N"},{"Metabolite":"3-Butynoate","retention time":"7.86560001","mass":"84.0211347","KEGGid":"C06144","HMDBID":"0","Lmid":"0","InchiKEY":"KKAHGSQLSTUDAV-UHFFFAOYSA-N"},{"Metabolite":"Piperidine","retention time":"10.91197164","mass":"85.08907336","KEGGid":"C01746","HMDBID":"HMDB0034301","Lmid":"0","InchiKEY":"NQRYJNQNLNOLGT-UHFFFAOYSA-N"},{"Metabolite":"Alanine","retention time":"14.68376275","mass":"89.04766371","KEGGid":"C00133_C00041","HMDBID":"HMDB00161_HMDB0001310_HMDB0062251_HMDB0000161_HMDB01310","Lmid":"0","InchiKEY":"QNAYBMKLOCPYGJ-REOHCLBHSA-N"},{"Metabolite":"Dimethylethanolamine","retention time":"17.23181808","mass":"89.08402689","KEGGid":"C04308","HMDBID":"HMDB0032231","Lmid":"0","InchiKEY":"UEEJHVSXFDXPFK-UHFFFAOYSA-N"},{"Metabolite":"2,4-pentadienoic acid","retention time":"13.91838438","mass":"98.03669823","KEGGid":"0","HMDBID":"0","Lmid":"LMFA01030099_LMFA01031018","InchiKEY":"SDVVLIIVFBKBMG-UHFFFAOYSA-N"},{"Metabolite":"xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole","retention time":"10.38063428","mass":"98.08444028","KEGGid":"0","HMDBID":"HMDB0037787","Lmid":"0","InchiKEY":"DIHAURBCYGTGCV-UHFFFAOYSA-N"},{"Metabolite":"Dimethylglycine","retention time":"13.98311518","mass":"103.0632962","KEGGid":"C01026","HMDBID":"HMDB00092_HMDB0000092","Lmid":"0","InchiKEY":"FFDGPVCHZBVARC-UHFFFAOYSA-N"},{"Metabolite":"gamma-Aminobutyric acid","retention time":"15.43394406","mass":"103.0633197","KEGGid":"C00334","HMDBID":"HMDB00112_HMDB0000112","Lmid":"LMFA01100039","InchiKEY":"BTCSSZJGUNDROE-UHFFFAOYSA-N"},{"Metabolite":"Choline","retention time":"20.01806058","mass":"103.0996923","KEGGid":"C00114","HMDBID":"HMDB00097_HMDB0000097","Lmid":"0","InchiKEY":"OEYIOHPDSNJKLS-UHFFFAOYSA-N"},{"Metabolite":"Serine","retention time":"15.69588554","mass":"105.0426007","KEGGid":"C00716_C00740_C00065","HMDBID":"HMDB0000187_HMDB0062263_HMDB03406_HMDB0003406_HMDB00187","Lmid":"LMFA01100045","InchiKEY":"MTCFGRXMJLQNBG-REOHCLBHSA-N"},{"Metabolite":"Brunfelsamidine","retention time":"16.12770651","mass":"109.0640252","KEGGid":"C10133","HMDBID":"0","Lmid":"0","InchiKEY":"QLILMARGWDFNHA-UHFFFAOYSA-N"},{"Metabolite":"Dap","retention time":"11.69183039","mass":"109.0640503","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"VHNQIURBCCNWDN-UHFFFAOYSA-N"},{"Metabolite":"Creatinine","retention time":"9.814863633","mass":"113.0588576","KEGGid":"C00791","HMDBID":"HMDB00562_HMDB0000562","Lmid":"0","InchiKEY":"DDRJAANPRJIHGJ-UHFFFAOYSA-N"},{"Metabolite":"Proline","retention time":"12.79259015","mass":"115.0633383","KEGGid":"C00148_C00763","HMDBID":"HMDB0003411_HMDB0000162_HMDB00162_HMDB03411","Lmid":"0","InchiKEY":"ONIBWKKTOPOVIA-BYPYZUCNSA-N"},{"Metabolite":"Glutarate semialdehyde","retention time":"13.87134787","mass":"116.0472603","KEGGid":"C03273","HMDBID":"HMDB12233_HMDB0012233","Lmid":"LMFA01060161","InchiKEY":"VBKPPDYGFUZOAJ-UHFFFAOYSA-N"},{"Metabolite":"Valine","retention time":"12.47150449","mass":"117.0790066","KEGGid":"C16436_C00183_C06417","HMDBID":"HMDB0000883_HMDB00883","Lmid":"LMFA01100046","InchiKEY":"KZSNJWFQEVHDMF-BYPYZUCNSA-N"},{"Metabolite":"5-Aminopentanoic acid","retention time":"11.35201374","mass":"117.0790106","KEGGid":"C00431","HMDBID":"HMDB03355_HMDB0003355","Lmid":"LMFA01100040","InchiKEY":"JJMDCOVWQOJGCB-UHFFFAOYSA-N"},{"Metabolite":"Benzofuran","retention time":"7.896966702","mass":"118.0418878","KEGGid":"C14512","HMDBID":"HMDB0032929","Lmid":"0","InchiKEY":"IANQTJSKSUMEQM-UHFFFAOYSA-N"},{"Metabolite":"Styrene Oxide","retention time":"7.02382505","mass":"120.0573554","KEGGid":"C02083","HMDBID":"HMDB0062765","Lmid":"0","InchiKEY":"AWMVMTVKBNGEAK-UHFFFAOYSA-N"},{"Metabolite":"Phenylacetaldehyde","retention time":"7.727948507","mass":"120.0573871","KEGGid":"C00601","HMDBID":"HMDB06236_HMDB0006236","Lmid":"0","InchiKEY":"DTUQWGWMVIHBKE-UHFFFAOYSA-N"},{"Metabolite":"Picolinamide","retention time":"13.94837129","mass":"122.0478539","KEGGid":"C01950","HMDBID":"0","Lmid":"0","InchiKEY":"IBBMAWULFFBRKK-UHFFFAOYSA-N"},{"Metabolite":"Niacinamide","retention time":"7.953337837","mass":"122.0480168","KEGGid":"C00153","HMDBID":"HMDB0001406_HMDB01406","Lmid":"0","InchiKEY":"DFPAKSUCGFBDDF-UHFFFAOYSA-N"},{"Metabolite":"Phosphonoacetaldehyde","retention time":"14.85804647","mass":"123.9923927","KEGGid":"C03167","HMDBID":"0","Lmid":"0","InchiKEY":"YEMKIGUKNDOZEG-UHFFFAOYSA-N"},{"Metabolite":"Aminohydroquinone","retention time":"16.15407037","mass":"125.0476342","KEGGid":"C14604","HMDBID":"0","Lmid":"0","InchiKEY":"SBXKRBZKPQBLOD-UHFFFAOYSA-N"},{"Metabolite":"Dihydrothymine","retention time":"14.75146245","mass":"128.0585695","KEGGid":"C00906","HMDBID":"HMDB00079_HMDB0000079","Lmid":"0","InchiKEY":"NBAKTGXDIBVZOO-UHFFFAOYSA-N"},{"Metabolite":"Pyroglutamic acid","retention time":"9.912702295","mass":"129.0426092","KEGGid":"C02237_C01879","HMDBID":"HMDB0060262_HMDB0000805_HMDB00267_HMDB0000267","Lmid":"0","InchiKEY":"ODHCTXKNWHHXJC-VKHMYHEASA-N"},{"Metabolite":"Pipecolic acid","retention time":"12.45325516","mass":"129.0789955","KEGGid":"C00408","HMDBID":"HMDB0062767_HMDB0000070_HMDB0000716_HMDB00716_HMDB0005960_HMDB05960","Lmid":"0","InchiKEY":"HXEACLLIILLPRG-UHFFFAOYSA-N"},{"Metabolite":"3-Methyl-2-oxovaleric acid","retention time":"11.38361244","mass":"130.0629937","KEGGid":"C03465_C00671_C06008","HMDBID":"HMDB00491_HMDB0000491","Lmid":"LMFA01020280_LMFA01020275","InchiKEY":"JVQYSWDUAOAHFM-UHFFFAOYSA-N"},{"Metabolite":"N-Acetylputrescine","retention time":"19.09665157","mass":"130.110651","KEGGid":"C02714","HMDBID":"HMDB0002064_HMDB0060268_HMDB02064","Lmid":"0","InchiKEY":"KLZGKIDSEJWEDW-UHFFFAOYSA-N"},{"Metabolite":"N-Acetyl-beta-alanine","retention time":"14.38744766","mass":"131.0583132","KEGGid":"C01073","HMDBID":"HMDB0061880","Lmid":"0","InchiKEY":"LJLLAWRMBZNPMO-UHFFFAOYSA-N"},{"Metabolite":"Creatine","retention time":"14.6280629","mass":"131.0694868","KEGGid":"C00300","HMDBID":"HMDB0000064_HMDB00064","Lmid":"0","InchiKEY":"CVSVTCORWBXHQV-UHFFFAOYSA-N"},{"Metabolite":"Leucine","retention time":"11.043203","mass":"131.0946416","KEGGid":"C01570_C00123_C16439","HMDBID":"HMDB0062203_HMDB0013773_HMDB00687_HMDB0000687","Lmid":"LMFA01100048","InchiKEY":"ROHFNLRQFUQHCH-YFKPBYRVSA-N"},{"Metabolite":"Isoleucine","retention time":"11.38372202","mass":"131.0946431","KEGGid":"C06418_C00407","HMDBID":"HMDB0000557_HMDB00557_HMDB0000172_HMDB00172_HMDB0033923","Lmid":"LMFA01100047","InchiKEY":"AGPKZVBTJJNPAG-WHFBIAKZSA-N"},{"Metabolite":"Asparagine","retention time":"15.19744545","mass":"132.0534908","KEGGid":"C01905_C00152","HMDBID":"HMDB0033780_HMDB00168_HMDB0000168","Lmid":"0","InchiKEY":"DCXYFEDJOCDNAF-REOHCLBHSA-N"},{"Metabolite":"Ornithine","retention time":"22.11478772","mass":"132.089906","KEGGid":"C01602_C00077_C00515","HMDBID":"HMDB0003374_HMDB00214_HMDB0000214_HMDB03374","Lmid":"LMFA01100057","InchiKEY":"AHLPHDHHMVZTML-BYPYZUCNSA-N"},{"Metabolite":"3-nitro-2-pentanol","retention time":"8.210023452","mass":"133.0739334","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"CHOTTWGZEKCPHA-UHFFFAOYSA-N"},{"Metabolite":"Adenine","retention time":"9.707914318","mass":"135.0545022","KEGGid":"C00147","HMDBID":"HMDB0000034_HMDB00034","Lmid":"0","InchiKEY":"GFFGJBXGBJISGV-UHFFFAOYSA-N"},{"Metabolite":"Allopurinol","retention time":"15.12808889","mass":"136.0385001","KEGGid":"D00224","HMDBID":"HMDB0014581","Lmid":"0","InchiKEY":"OFCNXPDARWKPPY-UHFFFAOYSA-N"},{"Metabolite":"Hypoxanthine","retention time":"10.20061206","mass":"136.0385465","KEGGid":"C00262","HMDBID":"HMDB00157_HMDB0000157","Lmid":"0","InchiKEY":"FDGQSTZJBFJUBT-UHFFFAOYSA-N"},{"Metabolite":"Apiitol","retention time":"10.25566513","mass":"136.0735416","KEGGid":"C01569","HMDBID":"0","Lmid":"0","InchiKEY":"BMQXZMXWGQFPBC-UHFFFAOYSA-N"},{"Metabolite":"O-Phosphoethanolamine","retention time":"15.81357653","mass":"141.0191661","KEGGid":"C00346","HMDBID":"HMDB00224_HMDB0000224","Lmid":"0","InchiKEY":"SUHOOTKUPISOBE-UHFFFAOYSA-N"},{"Metabolite":"1,2-dihydroxyethylphosphonate","retention time":"3.928644435","mass":"142.0035922","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"JDBGBZHVBYODFB-UHFFFAOYSA-M"},{"Metabolite":"Proline betaine","retention time":"10.70413325","mass":"143.0946721","KEGGid":"C10172","HMDBID":"HMDB04827_HMDB0004827","Lmid":"0","InchiKEY":"CMUNUTVVOOHQPW-LURJTMIESA-N"},{"Metabolite":"4-Acetamidobutanoic acid","retention time":"12.43913329","mass":"145.0739191","KEGGid":"C02946","HMDBID":"HMDB03681_HMDB0003681","Lmid":"0","InchiKEY":"UZTFMUBKZQVKLK-UHFFFAOYSA-N"},{"Metabolite":"2-Aminoheptanoate","retention time":"13.37106908","mass":"145.1103056","KEGGid":"0","HMDBID":"HMDB0094649","Lmid":"LMFA01100013_LMFA01100015_LMFA01100014","InchiKEY":"RDFMDVXONNIGBC-UHFFFAOYSA-N"},{"Metabolite":"Glutamine","retention time":"15.00913109","mass":"146.0691396","KEGGid":"C00819_C00064","HMDBID":"HMDB03423_HMDB0000641_HMDB0003423_HMDB00641","Lmid":"0","InchiKEY":"ZDXPYRJPNDTMRX-VKHMYHEASA-N"},{"Metabolite":"Lysine","retention time":"22.81825007","mass":"146.1055215","KEGGid":"C00739_C00047","HMDBID":"HMDB0142894_HMDB0062809_HMDB03405_HMDB0000182_HMDB00182_HMDB0003405","Lmid":"0","InchiKEY":"KDXKERNSBIXSRK-YFKPBYRVSA-N"},{"Metabolite":"Glutamic acid","retention time":"14.4142727","mass":"147.0531667","KEGGid":"C00025_C00302_C00217","HMDBID":"HMDB0003339_HMDB0000148_HMDB00148_HMDB0060475_HMDB03339","Lmid":"0","InchiKEY":"WHUUTDBJXJRKMK-VKHMYHEASA-N"},{"Metabolite":"(R) 2,3-Dihydroxy-3-methylvalerate","retention time":"6.93977777","mass":"148.0735694","KEGGid":"C06007_C04104","HMDBID":"HMDB0012140_HMDB12140","Lmid":"LMFA01050452_LMFA01050469","InchiKEY":"PDGXJDXVGMHUIR-UJURSFKZSA-N"},{"Metabolite":"Methionine","retention time":"11.57130845","mass":"149.0511075","KEGGid":"C01733_C00855_C00073","HMDBID":"HMDB0000696_HMDB0033951_HMDB00696","Lmid":"0","InchiKEY":"FFEARJCKVFRZRR-BYPYZUCNSA-N"},{"Metabolite":"2-Hydroxyadenine","retention time":"16.37087883","mass":"151.0494093","KEGGid":"0","HMDBID":"HMDB00403_HMDB0000403","Lmid":"0","InchiKEY":"DRAVOWXCEBXPTN-UHFFFAOYSA-N"},{"Metabolite":"Guanine","retention time":"12.33790986","mass":"151.0494488","KEGGid":"C00242","HMDBID":"HMDB0000132_HMDB00132","Lmid":"0","InchiKEY":"UYTPUPDQBNUYGX-UHFFFAOYSA-N"},{"Metabolite":"Arabitol","retention time":"12.93258133","mass":"152.0685578","KEGGid":"C01904_C00379_C00474","HMDBID":"HMDB02917_HMDB00568_HMDB00508","Lmid":"0","InchiKEY":"HEBKCHPVOIAQTA-UHFFFAOYSA-N"},{"Metabolite":"Histidine","retention time":"14.61616507","mass":"155.0695034","KEGGid":"C06419_C00135","HMDBID":"HMDB0000177_HMDB00177","Lmid":"0","InchiKEY":"HNDVDQJCIGZPNO-YFKPBYRVSA-N"},{"Metabolite":"3-Methylcrotonylglycine","retention time":"14.59795552","mass":"157.0742453","KEGGid":"0","HMDBID":"HMDB00459_HMDB0000459","Lmid":"0","InchiKEY":"PFWQSHXPNKRLIV-UHFFFAOYSA-N"},{"Metabolite":"5-Acetamidovalerate","retention time":"12.2418918","mass":"159.0895581","KEGGid":"C03087","HMDBID":"HMDB12175_HMDB0012175","Lmid":"0","InchiKEY":"TZZSWAXSIGWXOS-UHFFFAOYSA-N"},{"Metabolite":"DL-2-Aminooctanoic acid","retention time":"13.30206206","mass":"159.1259827","KEGGid":"0","HMDBID":"HMDB0000991_HMDB00991","Lmid":"LMFA01100056","InchiKEY":"AKVBCGQVQXPRLD-UHFFFAOYSA-N"},{"Metabolite":"Carnitinamide","retention time":"22.28450928","mass":"160.1208602","KEGGid":"C02290","HMDBID":"0","Lmid":"0","InchiKEY":"KWIXGIMKELMNGH-ZCFIWIBFSA-O"},{"Metabolite":"Aminoadipic acid","retention time":"15.23925305","mass":"161.0687679","KEGGid":"C00956","HMDBID":"HMDB00510_HMDB0000510","Lmid":"LMFA01170098","InchiKEY":"OYIFNHCXNCRBQI-UHFFFAOYSA-N"},{"Metabolite":"N-methyl-L-glutamic Acid","retention time":"16.02485227","mass":"161.0688016","KEGGid":"C01046","HMDBID":"HMDB0062660","Lmid":"0","InchiKEY":"XLBVNMSMFQMKEY-BYPYZUCNSA-N"},{"Metabolite":"Acetylhomoserine","retention time":"11.22555154","mass":"161.0688429","KEGGid":"C01077_C05700","HMDBID":"HMDB0029423","Lmid":"0","InchiKEY":"FCXZBWSIAGGPCB-UHFFFAOYSA-N"},{"Metabolite":"Carnitine","retention time":"13.28313797","mass":"161.10528","KEGGid":"C00318_C00487_C15025","HMDBID":"HMDB00062_HMDB0000062_HMDB0062634_HMDB0062496","Lmid":"0","InchiKEY":"PHIQHXFUZVPYII-ZCFIWIBFSA-N"},{"Metabolite":"3-Ethylmalate","retention time":"12.24385093","mass":"162.0529165","KEGGid":"C01989","HMDBID":"0","Lmid":"0","InchiKEY":"JUCRENBZZQKFGK-UHFFFAOYSA-N"},{"Metabolite":"Rhamnose","retention time":"7.876173203","mass":"164.0685256","KEGGid":"C00507","HMDBID":"HMDB0000849_HMDB00849","Lmid":"0","InchiKEY":"SHZGCJCMOBCMKK-JFNONXLTSA-N"},{"Metabolite":"Phenylalanine","retention time":"10.22394927","mass":"165.0790607","KEGGid":"C02265_C00079","HMDBID":"HMDB0000159_HMDB00159","Lmid":"0","InchiKEY":"COLNVLDHVKWLRT-QMMMGPOBSA-N"},{"Metabolite":"1-Deoxy-D-glucitol","retention time":"10.21863047","mass":"166.0837129","KEGGid":"0","HMDBID":"HMDB0041500","Lmid":"LMFA05000598","InchiKEY":"SKCKOFZKJLZSFA-UHFFFAOYSA-N"},{"Metabolite":"3-deoxy-D-galactose","retention time":"12.0635194","mass":"166.0842186","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"KDSPLKNONIUZSZ-HSUXUTPPSA-N"},{"Metabolite":"Pyridoxal","retention time":"8.111895803","mass":"167.0582268","KEGGid":"C00250","HMDBID":"HMDB0001545_HMDB01545","Lmid":"0","InchiKEY":"RADKZDMFGJYCBB-UHFFFAOYSA-N"},{"Metabolite":"1-Methylhistidine","retention time":"12.84736294","mass":"169.0850864","KEGGid":"C01152","HMDBID":"HMDB00001_HMDB0000001","Lmid":"0","InchiKEY":"BRMWTNUJHUMWMS-LURJTMIESA-N"},{"Metabolite":"Glycylproline","retention time":"12.23861288","mass":"172.0848684","KEGGid":"0","HMDBID":"HMDB0000721_HMDB00721","Lmid":"0","InchiKEY":"KZNQNBZMBZJQJO-UHFFFAOYSA-N"},{"Metabolite":"2-Oxoarginine","retention time":"14.15035564","mass":"173.0801334","KEGGid":"C03771","HMDBID":"HMDB0004225_HMDB04225","Lmid":"0","InchiKEY":"ARBHXJXXVVHMET-UHFFFAOYSA-N"},{"Metabolite":"N-Acetylleucine","retention time":"11.83560828","mass":"173.1052905","KEGGid":"C02710","HMDBID":"HMDB11756_HMDB0011756","Lmid":"0","InchiKEY":"WXNXCEHXYPACJF-ZETCQYMHSA-N"},{"Metabolite":"Arginine","retention time":"23.85788648","mass":"174.1117065","KEGGid":"C00792_C00062","HMDBID":"HMDB0062762_HMDB0000517_HMDB0003416_HMDB00517_HMDB03416","Lmid":"0","InchiKEY":"ODKSFYDXXFIFQN-BYPYZUCNSA-N"},{"Metabolite":"Ne,Ne dimethyllysine","retention time":"21.28923125","mass":"174.1368317","KEGGid":"C05545 _C05545","HMDBID":"HMDB0013287_HMDB13287","Lmid":"0","InchiKEY":"XXEWFEBMSGLYBY-UHFFFAOYSA-N"},{"Metabolite":"Citrulline","retention time":"15.86048931","mass":"175.0957202","KEGGid":"C00327","HMDBID":"HMDB00904_HMDB0000904","Lmid":"0","InchiKEY":"RHGKLRLOHDJJDR-BYPYZUCNSA-N"},{"Metabolite":"D-desosamine","retention time":"12.68265285","mass":"175.1209337","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"ZOYWWAGVGBSJDL-CWKFCGSDSA-O"},{"Metabolite":"Ureidosuccinic acid","retention time":"16.26096644","mass":"176.0431281","KEGGid":"C00438","HMDBID":"HMDB00828_HMDB0000828","Lmid":"0","InchiKEY":"HLKXYZVTANABHZ-REOHCLBHSA-N"},{"Metabolite":"Alanyl-Serine","retention time":"11.44002949","mass":"176.079377","KEGGid":"0","HMDBID":"HMDB0028696","Lmid":"0","InchiKEY":"IPWKGIFRRBGCJO-UHFFFAOYSA-N"},{"Metabolite":"4S,5R)-2-amino-4,5,6-trihydroxyhex-2-enoate","retention time":"12.63950461","mass":"177.0638996","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"BWCRWWBHRAOURT-VYOXQMNSSA-M"},{"Metabolite":"Glucosamine","retention time":"14.72161061","mass":"179.079576","KEGGid":"C00329","HMDBID":"HMDB01514_HMDB0001514","Lmid":"0","InchiKEY":"MSWZFWKMSRAUBD-IVMDWMLBSA-N"},{"Metabolite":"Tyrosine","retention time":"12.92710198","mass":"181.0739971","KEGGid":"C06420_C00082_C01536","HMDBID":"HMDB0000158_HMDB00158","Lmid":"0","InchiKEY":"OUYCCCASQSFEME-QMMMGPOBSA-N"},{"Metabolite":"2-amino-2-deoxy-D-mannitol","retention time":"11.36704999","mass":"181.0951481","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"FQORWEQXRQVPBZ-KVTDHHQDSA-O"},{"Metabolite":"Mannitol","retention time":"13.90290084","mass":"182.0791238","KEGGid":"C00392","HMDBID":"HMDB0000765_HMDB00765","Lmid":"0","InchiKEY":"FBPFZTCFMRRESA-KVTDHHQDSA-N"},{"Metabolite":"Phosphorylcholine","retention time":"14.86215537","mass":"183.0660659","KEGGid":"C00588","HMDBID":"HMDB0001565_HMDB01565","Lmid":"0","InchiKEY":"YHHSONZFOIEMCP-UHFFFAOYSA-O"},{"Metabolite":"3-Isopropenyl-6-oxoheptanoate","retention time":"4.007981492","mass":"184.110296","KEGGid":"C11419_C11405","HMDBID":"0","Lmid":"LMFA01060179_LMFA01060180","InchiKEY":"NJOIWWRMLFSDTM-SECBINFHSA-M"},{"Metabolite":"Alanyl-Proline","retention time":"11.3042186","mass":"186.1005254","KEGGid":"0","HMDBID":"HMDB0028695","Lmid":"0","InchiKEY":"WPWUFUBLGADILS-UHFFFAOYSA-N"},{"Metabolite":"8-Amino-7-oxononanoate","retention time":"11.78314473","mass":"187.120982","KEGGid":"C01092","HMDBID":"0","Lmid":"LMFA01060168","InchiKEY":"GUAHPAJOXVYFON-UHFFFAOYSA-N"},{"Metabolite":"N6-Acetyl-L-lysine","retention time":"7.983741692","mass":"188.1160425","KEGGid":"C02727","HMDBID":"HMDB0000206_HMDB00206","Lmid":"0","InchiKEY":"DTERQYGMUDWYAZ-ZETCQYMHSA-N"},{"Metabolite":"Glycylleucine","retention time":"12.89443184","mass":"188.1161829","KEGGid":"C02155","HMDBID":"HMDB0000759_HMDB00759","Lmid":"0","InchiKEY":"DKEXFJVMVGETOO-LURJTMIESA-N"},{"Metabolite":"Homo-L-arginine","retention time":"22.48584267","mass":"188.1274703","KEGGid":"C01924","HMDBID":"HMDB0000670_HMDB00670","Lmid":"0","InchiKEY":"QUOGESRFPZDMMT-YFKPBYRVSA-N"},{"Metabolite":"N6,N6,N6-Trimethyl-L-lysine","retention time":"21.59949103","mass":"188.1525722","KEGGid":"C03793","HMDBID":"HMDB0001325_HMDB01325","Lmid":"0","InchiKEY":"MXNRLFUSFKVQSK-QMMMGPOBSA-N"},{"Metabolite":"2-{[1-(R)-Carboxyethyl]amino}pentanoate","retention time":"8.958492533","mass":"189.1001804","KEGGid":"C06326","HMDBID":"0","Lmid":"0","InchiKEY":"AMDDRMIFTJHJGD-RITPCOANSA-N"},{"Metabolite":"Threoninyl-Alanine","retention time":"22.79792605","mass":"190.0952262","KEGGid":"0","HMDBID":"HMDB0029054","Lmid":"0","InchiKEY":"VPZKQTYZIVOJDV-UHFFFAOYSA-N"},{"Metabolite":"N5-acetyl-N5-hydroxy-L-ornithine","retention time":"11.00208842","mass":"190.0954867","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"LUZHSHCYVQASCO-UHFFFAOYSA-N"},{"Metabolite":"Tetraethylene glycol","retention time":"5.18962652","mass":"194.1148551","KEGGid":"0","HMDBID":"HMDB0094708","Lmid":"0","InchiKEY":"UWHCKJMYHZGTIT-UHFFFAOYSA-N"},{"Metabolite":"2-Amino-2-deoxy-D-gluconate","retention time":"16.9866481","mass":"195.0744485","KEGGid":"C03752","HMDBID":"0","Lmid":"0","InchiKEY":"UFYKDFXCZBTLOO-UHFFFAOYSA-N"},{"Metabolite":"phenyl sulfoxide","retention time":"17.02731832","mass":"202.0454532","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"JJHHIJFTHRNPIK-UHFFFAOYSA-N"},{"Metabolite":"Proclavaminic acid","retention time":"12.55026658","mass":"202.0954904","KEGGid":"C06658","HMDBID":"0","Lmid":"0","InchiKEY":"NMCINKPVAOXDJH-VDTYLAMSSA-N"},{"Metabolite":"Isoleucyl-Alanine","retention time":"12.81217589","mass":"202.1318646","KEGGid":"0","HMDBID":"HMDB0028900","Lmid":"0","InchiKEY":"RCFDOSNHHZGBOY-UHFFFAOYSA-N"},{"Metabolite":"Arg-OEt","retention time":"21.36856497","mass":"202.1430629","KEGGid":"C01404","HMDBID":"0","Lmid":"0","InchiKEY":"AKGWUHIOEVNNPC-LURJTMIESA-N"},{"Metabolite":"N-acetyl-L-2-aminoadipate(2-)","retention time":"11.96072277","mass":"203.0795187","KEGGid":"C12986","HMDBID":"HMDB0062715","Lmid":"0","InchiKEY":"FTTGAAZKBNZDCZ-UHFFFAOYSA-N"},{"Metabolite":"Alanyl-Asparagine","retention time":"12.72348035","mass":"203.0906825","KEGGid":"0","HMDBID":"HMDB0028682","Lmid":"0","InchiKEY":"CCUAQNUWXLYFRA-UHFFFAOYSA-N"},{"Metabolite":"Acetylcarnitine","retention time":"11.05615914","mass":"203.1159301","KEGGid":"C02571","HMDBID":"HMDB0000201_HMDB00201","Lmid":"LMFA07070060_LMFA07070049_LMFA07070050","InchiKEY":"RDHQFKQIGNGIED-MRVPVSSYSA-N"},{"Metabolite":"Lysyl-Glycine","retention time":"16.73513895","mass":"203.1271356","KEGGid":"0","HMDBID":"HMDB0028951","Lmid":"0","InchiKEY":"HGNRJCINZYHNOU-UHFFFAOYSA-N"},{"Metabolite":"beta-aspartyl-L-alanine","retention time":"15.922638","mass":"204.0746684","KEGGid":"0","HMDBID":"HMDB11162_HMDB0011162","Lmid":"0","InchiKEY":"ARSVRKCVNFIICJ-UHFFFAOYSA-N"},{"Metabolite":"Tryptophan","retention time":"11.62663145","mass":"204.0899281","KEGGid":"C00806_C00078_C00525","HMDBID":"HMDB13609_HMDB0013609_HMDB0030396_HMDB0000929_HMDB00929","Lmid":"0","InchiKEY":"QIVBCDIJIAJPQS-VIFPVBQESA-N"},{"Metabolite":"N6-Acetyl-N6-hydroxy-L-lysine","retention time":"17.86981472","mass":"204.1111376","KEGGid":"C03955","HMDBID":"0","Lmid":"0","InchiKEY":"YXKGOSZASIKYPU-ZETCQYMHSA-N"},{"Metabolite":"FA (14:2) tetradecadienal","retention time":"5.087250727","mass":"208.1822403","KEGGid":"0","HMDBID":"0","Lmid":"LMFA06000082","InchiKEY":"NGKCMQUFXPQZQW-AVQMFFATSA-N"},{"Metabolite":"6,10-Dimethyl-9-methylene-5-undecen-2-one","retention time":"6.060334847","mass":"208.1823225","KEGGid":"0","HMDBID":"HMDB0035862","Lmid":"LMPR0103030001","InchiKEY":"GVHYGHSXSIDTDI-KPKJPENVSA-N"},{"Metabolite":"Methyl 2-diazoacetamidohexonate","retention time":"14.15739164","mass":"213.1114293","KEGGid":"C01223","HMDBID":"0","Lmid":"0","InchiKEY":"OZHCMJTXDLRZPF-ZETCQYMHSA-O"},{"Metabolite":"Dethiobiotin","retention time":"8.483774135","mass":"214.1316618","KEGGid":"C01909","HMDBID":"HMDB03581_HMDB0003581","Lmid":"0","InchiKEY":"AUTOLBMXDDTRRT-JGVFFNPUSA-N"},{"Metabolite":"sn-glycero-3-Phosphoethanolamine","retention time":"15.61998427","mass":"215.0559497","KEGGid":"C01233","HMDBID":"HMDB00114_HMDB0059660","Lmid":"0","InchiKEY":"JZNWSCPGTDBMEW-YFKPBYRVSA-N"},{"Metabolite":"gamma-Glutamyl-gamma-aminobutyraldehyde","retention time":"11.29535658","mass":"216.1110333","KEGGid":"C15700","HMDBID":"0","Lmid":"0","InchiKEY":"JZNLEPLZUABCSQ-UHFFFAOYSA-N"},{"Metabolite":"Valyl-Valine","retention time":"7.818925578","mass":"216.1476099","KEGGid":"0","HMDBID":"HMDB0029140","Lmid":"0","InchiKEY":"KRNYOVHEKOBTEF-UHFFFAOYSA-N"},{"Metabolite":"N-a-Acetylcitrulline","retention time":"12.03169917","mass":"217.10588","KEGGid":"C15532","HMDBID":"HMDB00856_HMDB0000856","Lmid":"0","InchiKEY":"WMQMIOYQXNRROC-UHFFFAOYSA-N"},{"Metabolite":"Propionylcarnitine","retention time":"9.833106902","mass":"217.1314445","KEGGid":"C03017","HMDBID":"HMDB0062514_HMDB0000824_HMDB00824","Lmid":"LMFA07070005_LMFA07070099_LMFA07070105","InchiKEY":"UFAHZIUFPNSHSL-UHFFFAOYSA-N"},{"Metabolite":"beta-Alanyl-L-lysine","retention time":"16.51710881","mass":"217.1425973","KEGGid":"C05341","HMDBID":"HMDB0060442","Lmid":"0","InchiKEY":"PLDCWKCPEXNWJH-ZETCQYMHSA-N"},{"Metabolite":"Isoleucyl-Serine","retention time":"8.03405295","mass":"218.1267061","KEGGid":"0","HMDBID":"HMDB0028916","Lmid":"0","InchiKEY":"TWVKGYNQQAUNRN-UHFFFAOYSA-N"},{"Metabolite":"Lysopine","retention time":"17.12617595","mass":"218.1267844","KEGGid":"C04020","HMDBID":"HMDB0033675","Lmid":"0","InchiKEY":"ZZYYVZYAZCMNPG-UHFFFAOYSA-N"},{"Metabolite":"Asparaginyl-Serine","retention time":"13.33146961","mass":"219.0855462","KEGGid":"0","HMDBID":"HMDB0028740","Lmid":"0","InchiKEY":"SONUFGRSSMFHFN-UHFFFAOYSA-N"},{"Metabolite":"3-[4-amino-3-hydroxybutyl]-hydroxy-carbamoyl-propanoate","retention time":"10.91998333","mass":"220.1059381","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"URHGTJHSHKLWGZ-UHFFFAOYSA-N"},{"Metabolite":"N-Acetyl-D-glucosamine","retention time":"11.95401898","mass":"221.0899302","KEGGid":"C00140","HMDBID":"HMDB0000215_HMDB00215","Lmid":"0","InchiKEY":"OVRNDRQMDRJTHS-RTRLPJTCSA-N"},{"Metabolite":"Temurin","retention time":"9.467517628","mass":"224.0910114","KEGGid":"0","HMDBID":"HMDB0004328_HMDB04328","Lmid":"0","InchiKEY":"QGDOQULISIQFHQ-UHFFFAOYSA-N"},{"Metabolite":"6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin","retention time":"11.74546856","mass":"226.1066946","KEGGid":"C06486_C15522","HMDBID":"HMDB0012482_HMDB12482","Lmid":"0","InchiKEY":"XHZMOKNFPZDZBZ-CNGBTNQNSA-N"},{"Metabolite":"Isoleucylproline","retention time":"7.886915103","mass":"228.1473376","KEGGid":"0","HMDBID":"HMDB0011174_HMDB11174","Lmid":"0","InchiKEY":"BBIXOODYWPFNDT-UHFFFAOYSA-N"},{"Metabolite":"Leucylproline","retention time":"10.27965452","mass":"228.147538","KEGGid":"0","HMDBID":"HMDB11175_HMDB0011175","Lmid":"0","InchiKEY":"VTJUNIYRYIAIHF-UHFFFAOYSA-N"},{"Metabolite":"Ergothioneine","retention time":"14.73827317","mass":"229.0884898","KEGGid":"C05570","HMDBID":"HMDB0003045_HMDB03045","Lmid":"0","InchiKEY":"SSISHJJTAXXQAX-ZETCQYMHSA-N"},{"Metabolite":"Asparaginyl-Proline","retention time":"12.97747311","mass":"229.1061512","KEGGid":"0","HMDBID":"HMDB0028739","Lmid":"0","InchiKEY":"GADKFYNESXNRLC-UHFFFAOYSA-N"},{"Metabolite":"Aspartyl-L-proline","retention time":"15.11255363","mass":"230.0901356","KEGGid":"0","HMDBID":"HMDB0028761_HMDB0002335_HMDB02335","Lmid":"0","InchiKEY":"UKGGPJNBONZZCM-WDSKDSINSA-N"},{"Metabolite":"Isovalerylglutamic acid","retention time":"12.97703241","mass":"231.1112103","KEGGid":"0","HMDBID":"HMDB00726_HMDB0000726","Lmid":"0","InchiKEY":"HCVIJONZMYVLAW-ZETCQYMHSA-N"},{"Metabolite":"Ala/Ala/Ala","retention time":"10.17185388","mass":"231.1218147","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"BYXHQQCXAJARLQ-ZLUOBGJFSA-N"},{"Metabolite":"Glycyl-Arginine","retention time":"16.98353918","mass":"231.1330904","KEGGid":"0","HMDBID":"HMDB0028835","Lmid":"0","InchiKEY":"JLXVRFDTDUGQEE-UHFFFAOYSA-N"},{"Metabolite":"Ala/Phe/Ala/Arg","retention time":"11.01721275","mass":"231.6273272","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"CKSGKMXBJCCZJK-SDADXPQNSA-N"},{"Metabolite":"Glycerol 1-propanoate diacetate","retention time":"15.10498921","mass":"232.0951699","KEGGid":"0","HMDBID":"HMDB0031640","Lmid":"0","InchiKEY":"LVONJPHZHFUJEU-UHFFFAOYSA-N"},{"Metabolite":"N2-Succinyl-L-ornithine","retention time":"13.23226109","mass":"232.1059473","KEGGid":"C03415","HMDBID":"HMDB0001199_HMDB01199","Lmid":"0","InchiKEY":"VWXQFHJBQHTHMK-LURJTMIESA-N"},{"Metabolite":"N6-Acetyl-LL-2,6-diaminoheptanedioate","retention time":"12.52355364","mass":"232.1059797","KEGGid":"C04390","HMDBID":"0","Lmid":"0","InchiKEY":"KYVLWJXMCBZDRL-BQBZGAKWSA-N"},{"Metabolite":"Ala/Gly/Ser","retention time":"12.37137225","mass":"233.101152","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"NBTGEURICRTMGL-WHFBIAKZSA-N"},{"Metabolite":"Lysyl-Serine","retention time":"16.61882223","mass":"233.137513","KEGGid":"0","HMDBID":"HMDB0028960","Lmid":"0","InchiKEY":"YSZNURNVYFUEHC-UHFFFAOYSA-N"},{"Metabolite":"ascr#11","retention time":"13.21094681","mass":"234.1110312","KEGGid":"0","HMDBID":"0","Lmid":"LMFA13040039","InchiKEY":"VQZVOFZWXBQLCG-MGPZHUSASA-N"},{"Metabolite":"Cysteinosuccinic acid","retention time":"16.80817595","mass":"237.0308412","KEGGid":"0","HMDBID":"HMDB0029418","Lmid":"0","InchiKEY":"XPKKFTKCRVIDAG-UHFFFAOYSA-N"},{"Metabolite":"15(R)-hydroperoxy-EPE","retention time":"10.34444381","mass":"238.0983477","KEGGid":"0","HMDBID":"HMDB0062295","Lmid":"0","InchiKEY":"JKMHFZQWWAIEOD-UHFFFAOYSA-N"},{"Metabolite":"2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione","retention time":"3.990931828","mass":"238.1204289","KEGGid":"0","HMDBID":"HMDB0033191","Lmid":"0","InchiKEY":"IZVWNTVILPFEDY-UHFFFAOYSA-N"},{"Metabolite":"Slaframine","retention time":"10.18419314","mass":"240.1471321","KEGGid":"C06185","HMDBID":"0","Lmid":"0","InchiKEY":"UQNSGOYQGBXKSN-MCIGGMRASA-N"},{"Metabolite":"Bretylium","retention time":"11.54782134","mass":"241.0465909","KEGGid":"C06855","HMDBID":"HMDB0015289","Lmid":"0","InchiKEY":"AAQOQKQBGPPFNS-UHFFFAOYSA-N"},{"Metabolite":"Ala/Ile/Pro/Pro/Ser","retention time":"18.0925649","mass":"241.6347049","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"WNSUNKJDYCDMJS-UYLCUJDWSA-N"},{"Metabolite":"Cytidine","retention time":"11.93356939","mass":"243.0856189","KEGGid":"C00475_C02961","HMDBID":"HMDB00089_HMDB0015122_HMDB0000089","Lmid":"0","InchiKEY":"UHDGCWIWMRVCDJ-XVFCMESISA-N"},{"Metabolite":"Ala/Gly/Pro","retention time":"12.32945491","mass":"243.1219221","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"MQIGTEQXYCRLGK-BQBZGAKWSA-N"},{"Metabolite":"Lysyl-Proline","retention time":"15.30933697","mass":"243.1582429","KEGGid":"0","HMDBID":"HMDB0028959","Lmid":"0","InchiKEY":"AIXUQKMMBQJZCU-UHFFFAOYSA-N"},{"Metabolite":"dihydrothymidine","retention time":"14.78403336","mass":"244.1057694","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"FEYHMSUYKIMUAL-UHFFFAOYSA-N"},{"Metabolite":"Ile/Gly/Gly","retention time":"8.604542242","mass":"245.1375322","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"CDGLBYSAZFIIJO-RCOVLWMOSA-N"},{"Metabolite":"Isoleucyl-Asparagine","retention time":"9.366301952","mass":"245.1375369","KEGGid":"0","HMDBID":"HMDB0028902","Lmid":"0","InchiKEY":"HZYHBDVRCBDJJV-UHFFFAOYSA-N"},{"Metabolite":"beta-Alanyl-L-arginine","retention time":"16.47401775","mass":"245.1489789","KEGGid":"C05340","HMDBID":"HMDB0060441","Lmid":"0","InchiKEY":"DLRGFJGVZXSSTP-LURJTMIESA-N"},{"Metabolite":"Lysyl-Valine","retention time":"22.02870358","mass":"245.1737352","KEGGid":"0","HMDBID":"HMDB0028964","Lmid":"0","InchiKEY":"YQAIUOWPSUOINN-UHFFFAOYSA-N"},{"Metabolite":"Glycerophosphoglycerol","retention time":"12.26495644","mass":"246.0505478","KEGGid":"C03274","HMDBID":"0","Lmid":"0","InchiKEY":"LLCSXHMJULHSJN-UHFFFAOYSA-N"},{"Metabolite":"5,6-Dihydrouridine","retention time":"13.38707773","mass":"246.0851248","KEGGid":"0","HMDBID":"HMDB0000497_HMDB00497","Lmid":"0","InchiKEY":"ZPTBLXKRQACLCR-XVFCMESISA-N"},{"Metabolite":"Asparaginyl-Asparagine","retention time":"13.54774212","mass":"246.0964516","KEGGid":"0","HMDBID":"HMDB0028726","Lmid":"0","InchiKEY":"RJUHZPRQRQLCFL-UHFFFAOYSA-N"},{"Metabolite":"9-mercaptodethiobiotin","retention time":"8.20733128","mass":"246.1039005","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"ZARFDBYKHCOTRH-UHFFFAOYSA-N"},{"Metabolite":"beta-aspartyl-L-leucine","retention time":"12.64001109","mass":"246.121525","KEGGid":"0","HMDBID":"HMDB11166_HMDB0011166","Lmid":"0","InchiKEY":"IYJILWQAFPUBHP-UHFFFAOYSA-N"},{"Metabolite":"Lenticin","retention time":"8.831732573","mass":"246.1370753","KEGGid":"C09213","HMDBID":"HMDB0061115","Lmid":"0","InchiKEY":"AOHCBEAZXHZMOR-ZDUSSCGKSA-N"},{"Metabolite":"Asparaginyl-Aspartic acid","retention time":"15.42528342","mass":"247.080422","KEGGid":"0","HMDBID":"HMDB0028727","Lmid":"0","InchiKEY":"HZYFHQOWCFUSOV-UHFFFAOYSA-N"},{"Metabolite":"Ala/Ala/Ser","retention time":"11.73113234","mass":"247.1165994","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"YYSWCHMLFJLLBJ-ZLUOBGJFSA-N"},{"Metabolite":"Lysyl-Threonine","retention time":"15.84442641","mass":"247.1532275","KEGGid":"0","HMDBID":"HMDB0028961","Lmid":"0","InchiKEY":"ZOKVLMBYDSIDKG-UHFFFAOYSA-N"},{"Metabolite":"Aspartyl-Aspartate","retention time":"16.94405557","mass":"248.0643877","KEGGid":"0","HMDBID":"HMDB0028749","Lmid":"0","InchiKEY":"FRYULLIZUDQONW-UHFFFAOYSA-N"},{"Metabolite":"Glutamylthreonine","retention time":"14.49920745","mass":"248.1007787","KEGGid":"0","HMDBID":"HMDB0028829","Lmid":"0","InchiKEY":"JSIQVRIXMINMTA-ZDLURKLDSA-N"},{"Metabolite":"gamma-Glutamylcysteine","retention time":"13.82388978","mass":"250.0622684","KEGGid":"C00669","HMDBID":"HMDB0001049_HMDB01049","Lmid":"0","InchiKEY":"RITKHVBHSGLULN-WHFBIAKZSA-N"},{"Metabolite":"Glu/Glu/Lys/Pro","retention time":"16.16983886","mass":"250.6218132","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"WWTOBYDOJCBNLS-AJNGGQMLSA-N"},{"Metabolite":"Muramic acid","retention time":"14.24535376","mass":"251.1005863","KEGGid":"C06470","HMDBID":"HMDB03254","Lmid":"0","InchiKEY":"MSFSPUZXLOGKHJ-PGYHGBPZSA-N"},{"Metabolite":"Prolyl-Histidine","retention time":"11.93272651","mass":"252.1222547","KEGGid":"0","HMDBID":"HMDB0029019","Lmid":"0","InchiKEY":"BEPSGCXDIVACBU-UHFFFAOYSA-N"},{"Metabolite":"5-Methylcytidine","retention time":"10.57013927","mass":"257.101148","KEGGid":"0","HMDBID":"HMDB0000982_HMDB00982","Lmid":"0","InchiKEY":"ZAYHVCMSTBRABG-JXOAFFINSA-N"},{"Metabolite":"Glycerophosphocholine","retention time":"14.45293427","mass":"257.1026339","KEGGid":"C00670","HMDBID":"HMDB0000086_HMDB00086","Lmid":"0","InchiKEY":"SUHOQUVVVLNYQR-QMMMGPOBSA-N"},{"Metabolite":"gamma-L-Glutamyl-L-pipecolic acid","retention time":"11.37064608","mass":"258.1218241","KEGGid":"0","HMDBID":"HMDB0038614","Lmid":"0","InchiKEY":"MNEBDCWSYIPUDZ-UHFFFAOYSA-N"},{"Metabolite":"glycerophosphoserine","retention time":"11.83760618","mass":"259.0460973","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"ZWZWYGMENQVNFU-UHFFFAOYSA-N"},{"Metabolite":"Ile/Ala/Gly","retention time":"8.141934353","mass":"259.1531416","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"AQCUAZTZSPQJFF-ZKWXMUAHSA-N"},{"Metabolite":"Isoleucyl-Lysine","retention time":"12.68823344","mass":"259.1894654","KEGGid":"0","HMDBID":"HMDB0028912","Lmid":"0","InchiKEY":"UWBDLNOCIDGPQE-UHFFFAOYSA-N"},{"Metabolite":"Ala/Gly/Gly/Gly","retention time":"12.66362551","mass":"260.1121596","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"KEULKIZRPKJGIH-YFKPBYRVSA-N"},{"Metabolite":"Ala/Asn/Gly","retention time":"13.21485143","mass":"260.1124316","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"CVGNCMIULZNYES-WHFBIAKZSA-N"},{"Metabolite":"gamma-Glutamylisoleucine","retention time":"11.09455923","mass":"260.1372254","KEGGid":"0","HMDBID":"HMDB0011170_HMDB11170","Lmid":"0","InchiKEY":"SNCKGJWJABDZHI-ZKWXMUAHSA-N"},{"Metabolite":"Lysyl-Asparagine","retention time":"16.51591656","mass":"260.1484779","KEGGid":"0","HMDBID":"HMDB0028946","Lmid":"0","InchiKEY":"JPNRPAJITHRXRH-UHFFFAOYSA-N"},{"Metabolite":"Lotaustralin","retention time":"12.71486222","mass":"261.1214666","KEGGid":"C08334","HMDBID":"0","Lmid":"0","InchiKEY":"WEWBWVMTOYUPHH-QHAQEBJBSA-N"},{"Metabolite":"Gamma glutamyl ornithine","retention time":"16.28824633","mass":"261.1323627","KEGGid":"0","HMDBID":"HMDB02248_HMDB0002248","Lmid":"0","InchiKEY":"FCQBDQYWNGUTPD-BQBZGAKWSA-N"},{"Metabolite":"Serylarginine","retention time":"16.55838623","mass":"261.143101","KEGGid":"0","HMDBID":"HMDB0029033","Lmid":"0","InchiKEY":"RZEQTVHJZCIUBT-UHFFFAOYSA-N"},{"Metabolite":"hydroxyisovaleroyl carnitine","retention time":"10.72395882","mass":"261.1576722","KEGGid":"0","HMDBID":"HMDB0062555","Lmid":"LMFA07070073","InchiKEY":"DHRNMNHPSWBJEN-UHFFFAOYSA-N"},{"Metabolite":"beta-aspartyl-L-glutamic acid","retention time":"16.8975647","mass":"262.0804543","KEGGid":"0","HMDBID":"HMDB11164_HMDB0011164","Lmid":"0","InchiKEY":"DBMVITQDGVMXEY-UHFFFAOYSA-N"},{"Metabolite":"Ala/Ala/Cys","retention time":"9.360094125","mass":"263.0937904","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"UWQJHXKARZWDIJ-ZLUOBGJFSA-N"},{"Metabolite":"3,5-dibromocatechol","retention time":"27.20848472","mass":"265.8583841","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"PSHYJLFHLSZNLM-UHFFFAOYSA-N"},{"Metabolite":"3',4',5'-Trimethoxycinnamyl alcohol acetate","retention time":"5.151009808","mass":"266.1153714","KEGGid":"0","HMDBID":"HMDB0040891","Lmid":"0","InchiKEY":"IMLQOKDTSYBFHF-WAYWQWQTSA-N"},{"Metabolite":"Tributyl phosphate","retention time":"4.146285957","mass":"266.1646617","KEGGid":"C14439","HMDBID":"0","Lmid":"0","InchiKEY":"STCOOQWBFONSKY-UHFFFAOYSA-N"},{"Metabolite":"Neuraminic acid","retention time":"16.42764587","mass":"267.0955536","KEGGid":"C06469","HMDBID":"HMDB00830","Lmid":"0","InchiKEY":"CERZMXAJYMMUDR-HPVUOZGHSA-N"},{"Metabolite":"Adenosine","retention time":"9.231538483","mass":"267.0968647","KEGGid":"C00212_C07195","HMDBID":"HMDB0000050_HMDB00050_HMDB0014340","Lmid":"0","InchiKEY":"OIRDTQYFTABQOQ-KQYNXXCUSA-N"},{"Metabolite":"Inosine","retention time":"10.91045891","mass":"268.0809619","KEGGid":"C00294","HMDBID":"HMDB0003040_HMDB00195_HMDB0000195_HMDB03040","Lmid":"0","InchiKEY":"UGQMRVRMYYASKQ-KQYNXXCUSA-N"},{"Metabolite":"formycin A","retention time":"12.56667654","mass":"269.1124071","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"SIVHFRZJFCASNV-UHFFFAOYSA-N"},{"Metabolite":"6-Hydroxyl-1,6-dihydropurine ribonucleoside","retention time":"14.61557403","mass":"270.0965333","KEGGid":"C04583","HMDBID":"0","Lmid":"0","InchiKEY":"WGRXVKRHIMUTPD-AFPKLJJXSA-N"},{"Metabolite":"Prolyl-Arginine","retention time":"15.32638921","mass":"271.1644914","KEGGid":"0","HMDBID":"HMDB0029011","Lmid":"0","InchiKEY":"HMNSRTLZAJHSIK-UHFFFAOYSA-N"},{"Metabolite":"(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate","retention time":"15.9425176","mass":"272.0297659","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"ICIUJGMQSZZMJS-UHFFFAOYSA-N"},{"Metabolite":"Brugine","retention time":"12.09872589","mass":"273.0849461","KEGGid":"C10849","HMDBID":"0","Lmid":"0","InchiKEY":"BOJOZZSCQUTEBY-QUBJWBRDSA-N"},{"Metabolite":"Valyl-Arginine","retention time":"13.61960784","mass":"273.1801532","KEGGid":"0","HMDBID":"HMDB0029121","Lmid":"0","InchiKEY":"IBIDRSSEHFLGSD-UHFFFAOYSA-N"},{"Metabolite":"N2-Succinoylarginine","retention time":"12.6637824","mass":"274.1279305","KEGGid":"C03296","HMDBID":"HMDB0032764","Lmid":"0","InchiKEY":"UMOXFSXIFQOWTD-UHFFFAOYSA-N"},{"Metabolite":"Lys/Ala/Gly","retention time":"16.28760687","mass":"274.1644412","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"XFIHDSBIPWEYJJ-YUMQZZPRSA-N"},{"Metabolite":"Cys/Gly/Pro","retention time":"10.57164346","mass":"275.0940451","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"SKSJPIBFNFPTJB-BQBZGAKWSA-N"},{"Metabolite":"N2-gamma-Glutamylglutamine","retention time":"14.87792675","mass":"275.1118103","KEGGid":"C05283","HMDBID":"HMDB11738_HMDB0011738","Lmid":"0","InchiKEY":"JBFYFLXEJFQWMU-WDSKDSINSA-N"},{"Metabolite":"Glutamyllysine","retention time":"16.68144627","mass":"275.148153","KEGGid":"C04700","HMDBID":"HMDB04207_HMDB0004207","Lmid":"0","InchiKEY":"BBBXWRGITSUJPB-YUMQZZPRSA-N"},{"Metabolite":"Epsilon-(gamma-Glutamyl)-lysine","retention time":"15.25311656","mass":"275.1483625","KEGGid":"0","HMDBID":"HMDB0003869_HMDB03869","Lmid":"0","InchiKEY":"JPKNLFVGUZRHOB-YUMQZZPRSA-N"},{"Metabolite":"Threoninyl-Arginine","retention time":"15.69626477","mass":"275.1596013","KEGGid":"0","HMDBID":"HMDB0029055","Lmid":"0","InchiKEY":"HYLXOQURIOCKIH-UHFFFAOYSA-N"},{"Metabolite":"2,3-diacetamido-2,3-dideoxy--D-mannuronate","retention time":"16.799598","mass":"276.0958943","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"SOXOUCOZZYMXPU-FVAYPZGXSA-M"},{"Metabolite":"Met/Ala/Gly","retention time":"12.66488337","mass":"277.1095062","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"GAELMDJMQDUDLJ-BQBZGAKWSA-N"},{"Metabolite":"N-(1-Deoxy-1-fructosyl)proline","retention time":"12.2490764","mass":"277.1164459","KEGGid":"0","HMDBID":"HMDB0038493","Lmid":"0","InchiKEY":"GSFRYAKUDPPHHG-MKSMHYHASA-N"},{"Metabolite":"Thr/Ala/Ser","retention time":"16.63064683","mass":"277.1271374","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"DWYAUVCQDTZIJI-VZFHVOOUSA-N"},{"Metabolite":"Ovalitenin A","retention time":"11.9118611","mass":"278.0941517","KEGGid":"0","HMDBID":"0","Lmid":"LMPK12120003","InchiKEY":"KEJNXXMRDHDOCO-VQHVLOKHSA-N"},{"Metabolite":"N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole","retention time":"9.779355875","mass":"278.1268733","KEGGid":"C05775","HMDBID":"HMDB11112_HMDB0011112","Lmid":"0","InchiKEY":"HLRUKOJSWOKCPP-RYSNWHEDSA-N"},{"Metabolite":"Monoethylhexyl phthalic acid","retention time":"4.136601512","mass":"278.1517957","KEGGid":"C03343","HMDBID":"HMDB13248_HMDB0013248","Lmid":"0","InchiKEY":"DJDSLBVSSOQSLW-UHFFFAOYSA-N"},{"Metabolite":"Phenylalanyl-Asparagine","retention time":"8.023143125","mass":"279.1221354","KEGGid":"0","HMDBID":"HMDB0028990","Lmid":"0","InchiKEY":"BXNGIHFNNNSEOS-UHFFFAOYSA-N"},{"Metabolite":"Gravolenic acid","retention time":"4.353533328","mass":"280.0947309","KEGGid":"0","HMDBID":"HMDB0033884","Lmid":"0","InchiKEY":"DABSIZUNYJTFDJ-ARJAWSKDSA-N"},{"Metabolite":"Callyspongenol D","retention time":"9.228820348","mass":"280.1824998","KEGGid":"0","HMDBID":"0","Lmid":"LMFA05000721","InchiKEY":"NENOYMHTWHLEKR-ARJAWSKDSA-N"},{"Metabolite":"N-(1-Deoxy-1-fructosyl)threonine","retention time":"10.74150397","mass":"281.1115216","KEGGid":"0","HMDBID":"HMDB0037843","Lmid":"0","InchiKEY":"JUBGLICOZRKBCO-KNWYLTHMSA-N"},{"Metabolite":"adenosine-N-oxide","retention time":"11.29200092","mass":"282.083095","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"GDANQZIHRZOWRN-UHFFFAOYSA-N"},{"Metabolite":"Threoninyl-Tyrosine","retention time":"9.551800957","mass":"282.1208638","KEGGid":"0","HMDBID":"HMDB0029073","Lmid":"0","InchiKEY":"WCRFXRIWBFRZBR-UHFFFAOYSA-N"},{"Metabolite":"6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium","retention time":"9.626976805","mass":"283.1565361","KEGGid":"0","HMDBID":"HMDB0033483","Lmid":"0","InchiKEY":"XLWXLZKPQFKGJS-UHFFFAOYSA-O"},{"Metabolite":"Lysyl-Histidine","retention time":"16.15936055","mass":"283.1643643","KEGGid":"0","HMDBID":"HMDB0028953","Lmid":"0","InchiKEY":"IGRMTQMIDNDFAA-UHFFFAOYSA-N"},{"Metabolite":"Coformycin","retention time":"14.3546568","mass":"284.1120566","KEGGid":"C01677","HMDBID":"0","Lmid":"0","InchiKEY":"YOOVTUPUBVHMPG-LODYRLCVSA-N"},{"Metabolite":"2-Phenylethyl beta-D-glucopyranoside","retention time":"5.418113638","mass":"284.1259087","KEGGid":"0","HMDBID":"HMDB0029819","Lmid":"0","InchiKEY":"MLRIJUWUQTVDQE-UHFFFAOYSA-N"},{"Metabolite":"Isothipendyl","retention time":"5.309502778","mass":"285.1293038","KEGGid":"0","HMDBID":"HMDB0015692","Lmid":"0","InchiKEY":"OQJBSDFFQWMKBQ-UHFFFAOYSA-N"},{"Metabolite":"Levcromakalim","retention time":"7.165312053","mass":"286.1312889","KEGGid":"C11697_C11819","HMDBID":"0","Lmid":"0","InchiKEY":"TVZCRIROJQEVOT-CABCVRRESA-N"},{"Metabolite":"Thr/Ala/Pro","retention time":"15.35602351","mass":"287.1481541","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"LVHHEVGYAZGXDE-KZVJFYERSA-N"},{"Metabolite":"Isoleucyl-Arginine","retention time":"12.5722019","mass":"287.1957733","KEGGid":"0","HMDBID":"HMDB0028901","Lmid":"0","InchiKEY":"HYXQKVOADYPQEA-UHFFFAOYSA-N"},{"Metabolite":"(8-hydroxydecyl)-(hydroxymethyl)-piperidin-ol","retention time":"5.879966667","mass":"287.2461026","KEGGid":"0","HMDBID":"0","Lmid":"LMSP01080049","InchiKEY":"SEUBYHFHBZVRCC-QGAIPKOMSA-N"},{"Metabolite":"Asparaginyl-Arginine","retention time":"16.44629415","mass":"288.1545742","KEGGid":"0","HMDBID":"HMDB0028725","Lmid":"0","InchiKEY":"NPDLYUOYAGBHFB-UHFFFAOYSA-N"},{"Metabolite":"Glu/Ala/Ala","retention time":"12.43241204","mass":"289.1272568","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"RUFHOVYUYSNDNY-ACZMJKKPSA-N"},{"Metabolite":"Ophthalmic acid","retention time":"13.13890279","mass":"289.127325","KEGGid":"0","HMDBID":"HMDB0005765_HMDB05765","Lmid":"0","InchiKEY":"JCMUOFQHZLPHQP-BQBZGAKWSA-N"},{"Metabolite":"Aspartyl-Arginine","retention time":"16.81349357","mass":"289.1385083","KEGGid":"0","HMDBID":"HMDB0028747","Lmid":"0","InchiKEY":"PSZNHSNIGMJYOZ-UHFFFAOYSA-N"},{"Metabolite":"Ile/Ala/Ser","retention time":"13.82123724","mass":"289.1629361","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"HDOYNXLPTRQLAD-JBDRJPRFSA-N"},{"Metabolite":"N-(L-Arginino)succinate","retention time":"16.57217402","mass":"290.1226174","KEGGid":"C03406","HMDBID":"HMDB00052","Lmid":"0","InchiKEY":"WSQWJAOQSDPYTD-BQBZGAKWSA-N"},{"Metabolite":"Ala/Asp/Ser","retention time":"15.43328524","mass":"291.1065306","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"BUDNAJYVCUHLSV-ZLUOBGJFSA-N"},{"Metabolite":"Ile/Cys/Gly","retention time":"10.98645545","mass":"291.125011","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"PFTFEWHJSAXGED-ZKWXMUAHSA-N"},{"Metabolite":"Thr/Thr/Ala","retention time":"15.81348422","mass":"291.1431322","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"NDZYTIMDOZMECO-SHGPDSBTSA-N"},{"Metabolite":"(1,3-diphenylpropoxy)sulfonic acid","retention time":"16.59123434","mass":"292.0767854","KEGGid":"0","HMDBID":"HMDB0135230","Lmid":"0","InchiKEY":"NHBDIFPGEJWWES-UHFFFAOYSA-N"},{"Metabolite":"Lysyl-Phenylalanine","retention time":"11.87051092","mass":"293.1736811","KEGGid":"0","HMDBID":"HMDB0028958","Lmid":"0","InchiKEY":"QCZYYEFXOBKCNQ-UHFFFAOYSA-N"},{"Metabolite":"cyclic dehypoxanthinylfutalosine","retention time":"11.28379768","mass":"294.0731178","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"BAUPPZJHTWBQAS-UHFFFAOYSA-N"},{"Metabolite":"Asparaginyl-Tyrosine","retention time":"10.63951362","mass":"295.1165166","KEGGid":"0","HMDBID":"HMDB0028743","Lmid":"0","InchiKEY":"FYRVDDJMNISIKJ-UHFFFAOYSA-N"},{"Metabolite":"5'-Methylthioadenosine","retention time":"7.894713903","mass":"297.0894294","KEGGid":"C00170","HMDBID":"HMDB0001173_HMDB01173","Lmid":"0","InchiKEY":"WUUGFSXJNOTRMR-IOSLPCCCSA-N"},{"Metabolite":"Diphthamide","retention time":"21.51603733","mass":"297.1802463","KEGGid":"0","HMDBID":"HMDB0060473","Lmid":"0","InchiKEY":"FOOBQHKMWYGHCE-VHSXEESVSA-O"},{"Metabolite":"Ala/Asn/Pro","retention time":"12.1597292","mass":"300.14364","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"XCVRVWZTXPCYJT-FXQIFTODSA-N"},{"Metabolite":"Ala/Asp/Pro","retention time":"14.51245552","mass":"301.1273206","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"YSMPVONNIWLJML-FXQIFTODSA-N"},{"Metabolite":"Fenamiphos","retention time":"13.96068044","mass":"303.1061623","KEGGid":"C18659","HMDBID":"HMDB0031787","Lmid":"0","InchiKEY":"ZCJPOPBZHLUFHF-UHFFFAOYSA-N"},{"Metabolite":"Glutamylarginine","retention time":"16.59685771","mass":"303.1542071","KEGGid":"0","HMDBID":"HMDB0028813","Lmid":"0","InchiKEY":"MPZWMIIOPAPAKE-BQBZGAKWSA-N"},{"Metabolite":"Ile/Ala/Thr","retention time":"12.69203527","mass":"303.1797357","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"CYHYBSGMHMHKOA-CIQUZCHMSA-N"},{"Metabolite":"benzalkonium","retention time":"8.052270628","mass":"303.2929841","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"CYDRXTMLKJDRQH-UHFFFAOYSA-N"},{"Metabolite":"Nopaline","retention time":"16.4965893","mass":"304.1386029","KEGGid":"C08508_C01682","HMDBID":"0","Lmid":"0","InchiKEY":"LMKYZBGVKHTLTN-ULUSZKPHSA-N"},{"Metabolite":"Asp/Asp/Gly","retention time":"17.78935173","mass":"305.0857848","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"FANQWNCPNFEPGZ-WHFBIAKZSA-N"},{"Metabolite":"Glu/Ala/Ser","retention time":"14.73386762","mass":"305.1224032","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"MXOODARRORARSU-ACZMJKKPSA-N"},{"Metabolite":"Threoninyl-Tryptophan","retention time":"7.885706265","mass":"305.1374714","KEGGid":"0","HMDBID":"HMDB0029072","Lmid":"0","InchiKEY":"KAFKKRJQHOECGW-UHFFFAOYSA-N"},{"Metabolite":"N-(4-oxoglutaryl)-L-cysteinylglycine","retention time":"17.7108846","mass":"306.0523957","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"PMIVQUCENWNWHX-YFKPBYRVSA-L"},{"Metabolite":"Glutathione","retention time":"14.04553572","mass":"307.0837885","KEGGid":"C00051_C02471","HMDBID":"HMDB00125_HMDB0062697_HMDB0000125","Lmid":"0","InchiKEY":"RWSXRVCMGQZWBV-WDSKDSINSA-N"},{"Metabolite":"psicoselysine","retention time":"21.20924083","mass":"308.1581592","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"BFSYFTQDGRDJNV-UHFFFAOYSA-N"},{"Metabolite":"Ala/Gly/Tyr","retention time":"9.91424028","mass":"309.1325161","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"NIZKGBJVCMRDKO-KWQFWETISA-N"},{"Metabolite":"Lysyl-Tyrosine","retention time":"14.32009523","mass":"309.1690035","KEGGid":"0","HMDBID":"HMDB0028963","Lmid":"0","InchiKEY":"MYTOTTSMVMWVJN-UHFFFAOYSA-N"},{"Metabolite":"gamma-Glutamyltyrosine","retention time":"13.25147065","mass":"310.1163619","KEGGid":"0","HMDBID":"HMDB11741_HMDB0011741","Lmid":"0","InchiKEY":"VVLXCWVSSLFQDS-QWRGUYRKSA-N"},{"Metabolite":"Gamma-Glutamyl-Se-methylselenocysteine","retention time":"15.94772305","mass":"312.0220743","KEGGid":"C05695","HMDBID":"HMDB0010716_HMDB10716","Lmid":"0","InchiKEY":"IEFQLTYCECVOLL-UHFFFAOYSA-N"},{"Metabolite":"Glu/Ala/Pro","retention time":"14.30125563","mass":"315.1428426","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"IRDASPPCLZIERZ-CIUDSAMLSA-N"},{"Metabolite":"N-acetyl-L-glutaminyl-L-glutamine amide","retention time":"15.38053152","mass":"315.1541127","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"KLQXKYZBJWERSF-YUMQZZPRSA-N"},{"Metabolite":"Ala/Ala/Arg","retention time":"13.8778656","mass":"316.186022","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"HHGYNJRJIINWAK-FXQIFTODSA-N"},{"Metabolite":"Hydroxyprolyl-Tryptophan","retention time":"9.461102893","mass":"317.137625","KEGGid":"0","HMDBID":"HMDB0028874","Lmid":"0","InchiKEY":"PMCORMXOLUUGHL-UHFFFAOYSA-N"},{"Metabolite":"Glu/Ala/Val","retention time":"10.7473574","mass":"317.1586355","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"NCWOMXABNYEPLY-NRPADANISA-N"},{"Metabolite":"Melanin","retention time":"15.54804541","mass":"318.0648451","KEGGid":"C05606","HMDBID":"HMDB04068_HMDB0004068","Lmid":"0","InchiKEY":"XUMBMVFBXHLACL-UHFFFAOYSA-N"},{"Metabolite":"Tryptophyl-Asparagine","retention time":"9.756355682","mass":"318.1326298","KEGGid":"0","HMDBID":"HMDB0029078","Lmid":"0","InchiKEY":"GRQCSEWEPIHLBI-UHFFFAOYSA-N"},{"Metabolite":"Ala/Ala/Ala/Ser","retention time":"16.05906576","mass":"318.1537315","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"CKAPPXBMIVQTMA-XAMCCFCMSA-N"},{"Metabolite":"3-Epihydroxy-2'-deoxymugineic acid","retention time":"14.72540193","mass":"320.1218714","KEGGid":"C15502","HMDBID":"0","Lmid":"0","InchiKEY":"UQYFTKWTXJZWBK-JBDRJPRFSA-N"},{"Metabolite":"Beta-Citryl-L-glutamic acid","retention time":"19.38684252","mass":"321.0693251","KEGGid":"0","HMDBID":"HMDB0013220_HMDB13220","Lmid":"0","InchiKEY":"GAQNUGISBQJMKO-UHFFFAOYSA-N"},{"Metabolite":"dehydrocheilanthifoline","retention time":"12.5981603","mass":"321.0998049","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"BNXZOIDSAUKXGW-UHFFFAOYSA-O"},{"Metabolite":"Phenylalanyl-Arginine","retention time":"11.74606775","mass":"321.1797379","KEGGid":"0","HMDBID":"HMDB0028989","Lmid":"0","InchiKEY":"OZILORBBPKKGRI-UHFFFAOYSA-N"},{"Metabolite":"2'-deamino-2'-hydroxy-6'-dehydroparomamine","retention time":"15.902411","mass":"322.137382","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"NINNJPOSRPHVPI-JCLMPDJQSA-P"},{"Metabolite":"Avenic acid A","retention time":"15.06860561","mass":"322.1375954","KEGGid":"0","HMDBID":"HMDB0030416","Lmid":"0","InchiKEY":"QUKMQOBHQMWLLR-UHFFFAOYSA-N"},{"Metabolite":"Cytidine monophosphate","retention time":"15.54973704","mass":"323.0517589","KEGGid":"C00055","HMDBID":"HMDB0000095_HMDB00095","Lmid":"0","InchiKEY":"IERHLVCPSMICTF-XVFCMESISA-N"},{"Metabolite":"Ile/Gly/His","retention time":"9.917828738","mass":"325.1748699","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"KIAOPHMUNPPGEN-PEXQALLHSA-N"},{"Metabolite":"6,7-Dimethyl-8-(1-D-ribityl)lumazine","retention time":"12.66560183","mass":"326.1225936","KEGGid":"C04332","HMDBID":"HMDB03826_HMDB0003826","Lmid":"0","InchiKEY":"SXDXRJZUAJBNFL-UHFFFAOYSA-N"},{"Metabolite":"glorin","retention time":"21.59738905","mass":"327.1792739","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"VVFWZJAFYTZHAI-QWRGUYRKSA-N"},{"Metabolite":"Ala/Ala/Ala/Pro","retention time":"10.02166072","mass":"328.1747091","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"IZXURCUWTGEUAM-XKNYDFJKSA-N"},{"Metabolite":"Valclavam","retention time":"12.43444997","mass":"329.1585415","KEGGid":"C06668","HMDBID":"0","Lmid":"0","InchiKEY":"YCGXMNQNHBKSKZ-YNWZBRBLSA-N"},{"Metabolite":"Europine","retention time":"7.898535157","mass":"329.1835402","KEGGid":"C10301","HMDBID":"0","Lmid":"0","InchiKEY":"ZNEMYFCJOCCUJN-VFFTVRQLSA-N"},{"Metabolite":"quinocarcin","retention time":"22.81914708","mass":"330.157499","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"VOUMVHRRAVBACH-RXCQEBQVSA-M"},{"Metabolite":"Deoxyadenosine monophosphate","retention time":"12.49872403","mass":"331.0678752","KEGGid":"C00360","HMDBID":"HMDB00905_HMDB0000905","Lmid":"0","InchiKEY":"KHWCHTKSEGGWEX-RRKCRQDMSA-N"},{"Metabolite":"Ala/Thr/Ala/Ala","retention time":"14.72347876","mass":"332.1697661","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"JKAICUSYGPDIQN-XRBOHMRVSA-N"},{"Metabolite":"Nicotinamide ribotide","retention time":"15.13431487","mass":"334.0566866","KEGGid":"C00455","HMDBID":"HMDB0059645_HMDB00229_HMDB0000229","Lmid":"0","InchiKEY":"DAYLJWODMCOQEW-TURQNECASA-N"},{"Metabolite":"Glu/Ser/Thr","retention time":"15.87997957","mass":"335.1330479","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"JWNZHMSRZXXGTM-XKBZYTNZSA-N"},{"Metabolite":"N2-Fructopyranosylarginine","retention time":"18.22863722","mass":"336.1646496","KEGGid":"0","HMDBID":"HMDB0041541","Lmid":"0","InchiKEY":"DLFIWFDONDYZKI-UHFFFAOYSA-N"},{"Metabolite":"Japonin","retention time":"22.80579427","mass":"336.1769255","KEGGid":"0","HMDBID":"HMDB0035802","Lmid":"0","InchiKEY":"HDHDUJDLKYTRAS-VOTSOKGWSA-N"},{"Metabolite":"Kyotorphin","retention time":"14.17142747","mass":"337.175314","KEGGid":"C02993","HMDBID":"HMDB0029099_HMDB05768_HMDB0005768","Lmid":"0","InchiKEY":"JXNRXNCCROJZFB-RYUDHWBXSA-N"},{"Metabolite":"4-O--D-glucosyl-indol-3-yl formamide","retention time":"11.70267716","mass":"338.1115339","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"BHRTYNWMRMHZNF-TVKJYDDYSA-N"},{"Metabolite":"Lys/Gly/His","retention time":"15.80992779","mass":"340.1858588","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"UETQMSASAVBGJY-QWRGUYRKSA-N"},{"Metabolite":"Magnoflorine","retention time":"10.38221481","mass":"341.1620385","KEGGid":"C09581","HMDBID":"0","Lmid":"0","InchiKEY":"YLRXAIKMLINXQY-ZDUSSCGKSA-O"},{"Metabolite":"Ala/Val/Gly/Pro","retention time":"9.569423082","mass":"342.1900405","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"WSMLXNLWOXQZKS-NHCYSSNCSA-N"},{"Metabolite":"Asp/Gly/Gly/Pro","retention time":"15.38650377","mass":"344.1336495","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"KFRICZZLRVYXBU-YUMQZZPRSA-N"},{"Metabolite":"Adenosine monophosphate","retention time":"13.49595642","mass":"347.0628125","KEGGid":"C00020_D06299","HMDBID":"HMDB00045_HMDB0000045","Lmid":"0","InchiKEY":"UDMBCSSLTHHNCD-KQYNXXCUSA-N"},{"Metabolite":"Glu/Ala/Glu","retention time":"15.78367842","mass":"347.1327656","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"LKDIBBOKUAASNP-FXQIFTODSA-N"},{"Metabolite":"Methyl -8'-oxo-6,8'-diapo-6-carotenoate","retention time":"15.5084265","mass":"352.2042842","KEGGid":"0","HMDBID":"HMDB0031979","Lmid":"0","InchiKEY":"JMFNGSBVJBPGQR-IWRWKHRWSA-N"},{"Metabolite":"N-palmitoyl proline","retention time":"3.871925028","mass":"353.2931568","KEGGid":"0","HMDBID":"0","Lmid":"LMFA08020117","InchiKEY":"XOAIXMQPJQVGRV-IBGZPJMESA-N"},{"Metabolite":"Ala/Leu/Gly/Pro","retention time":"13.11179708","mass":"356.206184","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"ZXUSTXSSVBOREC-SRVKXCTJSA-N"},{"Metabolite":"Ala/Asp/Gly/Pro","retention time":"15.19432636","mass":"358.1488364","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"HILVXFPQSXEYDM-CIUDSAMLSA-N"},{"Metabolite":"2-{4-[-1,2-diphenylbut-1-en-1-yl]phenoxy}acetic acid","retention time":"22.81432387","mass":"358.1567588","KEGGid":"0","HMDBID":"HMDB0142451","Lmid":"0","InchiKEY":"QIMQCARYIBIRDS-ZNTNEXAZSA-N"},{"Metabolite":"Glu/Asp/Pro","retention time":"16.60569297","mass":"359.1334815","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"CKOFNWCLWRYUHK-CIUDSAMLSA-N"},{"Metabolite":"Ala/Lys/Ala/Ala","retention time":"14.19569218","mass":"359.2164799","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"JBVOAPNOBCMBBQ-NAKRPEOUSA-N"},{"Metabolite":"Asn/Asn/Gly/Gly","retention time":"14.54636574","mass":"360.138767","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"IPPHNHSZHXQILH-WDSKDSINSA-N"},{"Metabolite":"Ala/Pro/Ser/Ser","retention time":"12.19662547","mass":"360.1639471","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"DUNNSAWLIJOLBZ-XKNYDFJKSA-N"},{"Metabolite":"Ala/Leu/Ala/Ser","retention time":"13.91177775","mass":"360.2007932","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"LNAOMRBEPJRQDI-NAKRPEOUSA-N"},{"Metabolite":"Asn/Asn/Asp","retention time":"15.84075288","mass":"361.1237143","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"KSBHCUSPLWRVEK-ZLUOBGJFSA-N"},{"Metabolite":"Ile/Asp/Asp","retention time":"15.55822652","mass":"361.148245","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"HVWXAQVMRBKKFE-UGYAYLCHSA-N"},{"Metabolite":"Ala/Ala/Asp/Ser","retention time":"15.14403435","mass":"362.1436425","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"WSEKOWVLSXZLPQ-XAMCCFCMSA-N"},{"Metabolite":"Guanosine 3'-phosphate","retention time":"16.36656952","mass":"363.0579191","KEGGid":"C06193","HMDBID":"0","Lmid":"0","InchiKEY":"ZDPUTNZENXVHJC-UUOKFMHZSA-N"},{"Metabolite":"Glu/Met/Ser","retention time":"13.10517878","mass":"365.1251685","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"HQOGXFLBAKJUMH-CIUDSAMLSA-N"},{"Metabolite":"Ile/His/Pro","retention time":"11.47190396","mass":"365.2055436","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"LNJLOZYNZFGJMM-PYJNHQTQSA-N"},{"Metabolite":"Val/Asp/His","retention time":"12.33585977","mass":"369.1650744","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"ZQGPWORGSNRQLN-NHCYSSNCSA-N"},{"Metabolite":"Ala/Ala/Asp/Pro","retention time":"14.77530009","mass":"372.1637081","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"PORJJYFCZNMAKQ-XKNYDFJKSA-N"},{"Metabolite":"Glu/Glu/Pro","retention time":"16.46171672","mass":"373.1483468","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"KUTPGXNAAOQSPD-GUBZILKMSA-N"},{"Metabolite":"Ala/Ala/Gly/Arg","retention time":"14.88850236","mass":"373.2070733","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"HTGWQSWUYHIQOJ-CIUDSAMLSA-N"},{"Metabolite":"Ala/Leu/Thr/Ala","retention time":"14.61561573","mass":"374.2160964","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"BDAGVICMEUTBGG-SVNGYHJRSA-N"},{"Metabolite":"Ala/Lys/Ala/Ser","retention time":"15.24556453","mass":"375.2118469","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"ODHZSTAAHFVJFZ-NAKRPEOUSA-N"},{"Metabolite":"2-[4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy]acetaldehyde","retention time":"17.03501112","mass":"376.1222576","KEGGid":"0","HMDBID":"HMDB0143634","Lmid":"0","InchiKEY":"BIYIRUSQLQPLAK-UHFFFAOYSA-N"},{"Metabolite":"Asp/Val/Gly/Ser","retention time":"16.53966098","mass":"376.1585132","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"IXBZLHFBMJESAT-LAEOZQHASA-N"},{"Metabolite":"Ala/Thr/Ala/Asp","retention time":"15.06226083","mass":"376.1593667","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"KRXOJRJVYWSSJJ-CRKKBNSPSA-N"},{"Metabolite":"Succinyladenosine","retention time":"14.14846474","mass":"383.1074247","KEGGid":"0","HMDBID":"HMDB00912_HMDB0000912","Lmid":"0","InchiKEY":"VKGZCEJTCKHMRL-VWJPMABRSA-N"},{"Metabolite":"N-Acetyllactosamine","retention time":"13.77350639","mass":"383.1425951","KEGGid":"C00611","HMDBID":"HMDB0001542_HMDB01542","Lmid":"0","InchiKEY":"KFEUJDWYNGMDBV-LODBTCKLSA-N"},{"Metabolite":"Asn/Gly/Pro/Pro","retention time":"10.78397313","mass":"383.1802145","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"WQVRLFAVAPKKOJ-DCAQKATOSA-N"},{"Metabolite":"Adenosylhomocysteine","retention time":"13.63262403","mass":"384.12158","KEGGid":"C00021","HMDBID":"HMDB00939_HMDB0000939","Lmid":"0","InchiKEY":"ZJUKTBDSGOFHSH-WFMPWKQPSA-N"},{"Metabolite":"Sulfinpyrazone sulfide","retention time":"16.22278883","mass":"388.1246575","KEGGid":"0","HMDBID":"HMDB0060943","Lmid":"0","InchiKEY":"PLGXGMUJUXKCDD-UHFFFAOYSA-N"},{"Metabolite":"Ala/Met/Ala/Pro","retention time":"6.144610228","mass":"388.1788506","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"CDEUDWYYHFYEST-BJDJZHNGSA-N"},{"Metabolite":"Ala/Thr/Ala/Gln","retention time":"16.07353719","mass":"389.1907191","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"XPFFCRHBJQAJDE-UBVHSMIISA-N"},{"Metabolite":"Ala/Ala/Asp/Asp","retention time":"16.79208342","mass":"390.1393224","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"YHOPXCAOTRUGLV-XAMCCFCMSA-N"},{"Metabolite":"Ala/Val/Asp/Ser","retention time":"14.96520002","mass":"390.1748143","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"DDPKBJZLAXLQGZ-KBIXCLLPSA-N"},{"Metabolite":"9'-Carboxy-alpha-chromanol","retention time":"4.10834924","mass":"390.2768387","KEGGid":"0","HMDBID":"HMDB0012866_HMDB12866","Lmid":"0","InchiKEY":"CUGVBZDXUTZXJO-GCIQOJCMSA-N"},{"Metabolite":"Adenosylmethionine","retention time":"16.53217485","mass":"398.1372358","KEGGid":"C00019","HMDBID":"HMDB0001185_HMDB01185","Lmid":"0","InchiKEY":"MEFKEPWMEQBLKI-AIRLBKTGSA-O"},{"Metabolite":"Ala/Val/Asn/Pro","retention time":"9.817996037","mass":"399.2115785","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"QKRZRXJTKNUBMD-ZPFDUUQYSA-N"},{"Metabolite":"Palmitoylcarnitine","retention time":"4.71320221","mass":"399.3347777","KEGGid":"C02990","HMDBID":"HMDB0000222_HMDB00222","Lmid":"LMFA07070098_LMFA07070079_LMFA07070004","InchiKEY":"XOMRRQXKHMYMOC-OAQYLSRUSA-N"},{"Metabolite":"Ala/Val/Asp/Pro","retention time":"12.18605389","mass":"400.1966084","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"OAIGZYFGCNNVIE-ZPFDUUQYSA-N"},{"Metabolite":"Thr/Trp/Pro","retention time":"8.059385117","mass":"402.1898089","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"VGNKUXWYFFDWDH-HSHDSVGOSA-N"},{"Metabolite":"20-hydroxy-fusarin","retention time":"4.373766697","mass":"403.1992815","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"ASBKGJSDHSLXIL-SQFIICBKSA-N"},{"Metabolite":"Ala/Leu/Asp/Ser","retention time":"16.15868429","mass":"404.1899666","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"VOSSMWANRWPIFB-NAKRPEOUSA-N"},{"Metabolite":"15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate","retention time":"5.038023812","mass":"404.2026046","KEGGid":"C14922","HMDBID":"0","Lmid":"0","InchiKEY":"YYFCRMZCEYYPDO-LRJQJUPXSA-N"},{"Metabolite":"Thr/Trp/Cys","retention time":"15.42690096","mass":"408.146957","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"DKNYWNPPSZCWCJ-GBALPHGKSA-N"},{"Metabolite":"Pro/Arg/His","retention time":"26.53825758","mass":"408.2234749","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"QBFONMUYNSNKIX-AVGNSLFASA-N"},{"Metabolite":"Met/Met/Met","retention time":"13.8826954","mass":"411.1312487","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"VWWGEKCAPBMIFE-SRVKXCTJSA-N"},{"Metabolite":"Glu/Glu/His","retention time":"12.90209997","mass":"413.154956","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"APHGWLWMOXGZRL-DCAQKATOSA-N"},{"Metabolite":"Ala/Leu/Asn/Pro","retention time":"9.230795168","mass":"413.2273825","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"JUBJQIHBFFWWTL-CYDGBPFRSA-N"},{"Metabolite":"Ala/Lys/Val/Pro","retention time":"13.06521768","mass":"413.2636077","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"HUXOWCVFLWFNPK-AJNGGQMLSA-N"},{"Metabolite":"2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside]","retention time":"16.04888731","mass":"416.1306937","KEGGid":"0","HMDBID":"HMDB0034157","Lmid":"0","InchiKEY":"DSDFXGQRZAFFQA-UHFFFAOYSA-N"},{"Metabolite":"Asp/Val/Pro/Ser","retention time":"9.952304642","mass":"416.1907425","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"BJKUVECUGXLVBW-ZPFDUUQYSA-N"},{"Metabolite":"Ala/Lys/Ala/Gln","retention time":"14.88983034","mass":"416.2386633","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"SDRUAPOMLSJICX-BJDJZHNGSA-N"},{"Metabolite":"Phe/Asp/His","retention time":"10.68001234","mass":"417.1651602","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"VUYCNYVLKACHPA-KKUMJFAQSA-N"},{"Metabolite":"Glu/Arg/Asn","retention time":"15.86584604","mass":"417.197598","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"CVPXINNKRTZBMO-CIUDSAMLSA-N"},{"Metabolite":"Asp/Cys/Cys/Ser","retention time":"16.74973157","mass":"426.0872949","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"OWWSLTOQAYKQJE-XAMCCFCMSA-N"},{"Metabolite":"Ile/Thr/Pro/Pro","retention time":"13.20340489","mass":"426.2484119","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"ZIBZIPGNHAFJEP-KARBZBNUSA-N"},{"Metabolite":"ADP","retention time":"14.0096066","mass":"427.0283094","KEGGid":"C00008","HMDBID":"HMDB0001341_HMDB01341","Lmid":"0","InchiKEY":"XTWYTFMLZFPYCI-KQYNXXCUSA-N"},{"Metabolite":"Stearoylcarnitine","retention time":"7.825358887","mass":"427.3659477","KEGGid":"0","HMDBID":"HMDB00848_HMDB0000848","Lmid":"LMFA07070051_LMFA07070008","InchiKEY":"FNPHNLNTJNMAEE-HSZRJFAPSA-N"},{"Metabolite":"CMP-2-aminoethylphosphonate","retention time":"15.08534636","mass":"430.0655514","KEGGid":"C05673","HMDBID":"HMDB0060067","Lmid":"0","InchiKEY":"FBADRUOBFLBKJQ-PEBGCTIMSA-N"},{"Metabolite":"ethyl-(4-aminophenyl)-1-deoxy-D-ribitol","retention time":"12.42901849","mass":"432.2121572","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"DRRFDRHVSLHJGW-LBCWATLXSA-N"},{"Metabolite":"notoamide E","retention time":"5.161998098","mass":"433.2371724","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"FQFSPHHVEQZCED-OALUTQOASA-N"},{"Metabolite":"Ile/Trp/Trp/Trp/Trp","retention time":"11.35994873","mass":"437.7064017","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"JLIKPTPMLQSRSF-HUYXPHOVSA-N"},{"Metabolite":"Ala/Ala/Asp/Tyr","retention time":"10.76487941","mass":"438.1750794","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"POMJJCKIMFKZEQ-NUZBWSBOSA-N"},{"Metabolite":"Met/Thr/Thr/Ser","retention time":"14.71656887","mass":"438.1780557","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"LHXUQUWUIQNNLU-HAVMIZHYSA-N"},{"Metabolite":"Asn/Leu/Pro/Pro","retention time":"10.91507224","mass":"439.2431253","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"KRRVNETWOIKMLT-AJNGGQMLSA-N"},{"Metabolite":"Diferuloylputrescine","retention time":"12.98459209","mass":"440.1937631","KEGGid":"0","HMDBID":"HMDB0033468","Lmid":"0","InchiKEY":"CHEMZHJQHCVLFI-MKICQXMISA-N"},{"Metabolite":"platensimycin","retention time":"15.10771467","mass":"441.1783347","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"CSOMAHTTWTVBFL-OFBLZTNGSA-M"},{"Metabolite":"icos#3","retention time":"4.131437005","mass":"445.2100301","KEGGid":"0","HMDBID":"0","Lmid":"LMFA13040138","InchiKEY":"XQKLJTSTLMVZHF-HCCOWPQCSA-N"},{"Metabolite":"CDP-Ethanolamine","retention time":"16.10787777","mass":"446.0607015","KEGGid":"C00570","HMDBID":"HMDB01564_HMDB0001564","Lmid":"0","InchiKEY":"WVIMUEUQJFPNDK-PEBGCTIMSA-N"},{"Metabolite":"2-Hydroxy-desipramine glucuronide","retention time":"10.45485636","mass":"458.2047981","KEGGid":"0","HMDBID":"HMDB0060716","Lmid":"0","InchiKEY":"XJHAOJJEVSPMBA-QMDPOKHVSA-N"},{"Metabolite":"Arg/Leu/Asp/Gly","retention time":"13.54984516","mass":"459.244383","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"RMSYDFMKISQOQV-SRVKXCTJSA-N"},{"Metabolite":"Ala/Asp/Gln/Gln","retention time":"15.39085293","mass":"460.1914963","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"IUMAIPSNNMXJSY-XKNYDFJKSA-N"},{"Metabolite":"Ala/Lys/Lys/Asp","retention time":"14.20046206","mass":"460.2644815","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"PWDFZPWDQFGGLR-XUXIUFHCSA-N"},{"Metabolite":"Asn/Glu/Ile/Ser","retention time":"13.10567919","mass":"461.212221","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"LTMQSGCNWUNYMM-VITBEWHZSA-N"},{"Metabolite":"Cys/Leu/Met/Pro","retention time":"14.81611125","mass":"462.196749","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"VKJKBVRQNCUHSE-AJNGGQMLSA-N"},{"Metabolite":"Glu/Phe/Ala/Pro","retention time":"10.70042233","mass":"462.2115001","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"JACNWWUNKWXWOH-HJWJTTGWSA-N"},{"Metabolite":"Adenylsuccinic acid","retention time":"17.79216648","mass":"463.0742563","KEGGid":"C03794","HMDBID":"HMDB0000536_HMDB0059653_HMDB00536","Lmid":"0","InchiKEY":"OFBHPPMPBOJXRT-DPXQIYNJSA-N"},{"Metabolite":"Glu/Arg/Tyr","retention time":"11.3805706","mass":"466.2183672","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"GCYFUZJHAXJKKE-KKUMJFAQSA-N"},{"Metabolite":"Ile/Ile/Ile/Ile","retention time":"6.99839291","mass":"470.346529","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"VOXGWGGCSUFULQ-QFHQRVFTSA-N"},{"Metabolite":"Asn/Glu/Ile/Pro","retention time":"12.71670736","mass":"471.2335923","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"YWBARTZZUCVYGJ-YTORKDELSA-N"},{"Metabolite":"CMP-N-trimethyl-2-aminoethylphosphonate","retention time":"14.21101295","mass":"472.1128107","KEGGid":"C05674","HMDBID":"HMDB0060072","Lmid":"0","InchiKEY":"RNUGPSIGKYHQNQ-OJAKKHQRSA-O"},{"Metabolite":"Asp/Asp/Gln/Pro","retention time":"15.88854209","mass":"473.1758938","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"HXZYKLHCSDRRTA-NAKRPEOUSA-N"},{"Metabolite":"Asn/Glu/Ile/Val","retention time":"15.15709054","mass":"473.249421","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"ZSRUWMHWTAPUPS-IKUJJKIKSA-N"},{"Metabolite":"Glu/Glu/Pro/Thr","retention time":"15.0104777","mass":"474.196479","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"LCPZGXCDGATUKL-SQRMYFJTSA-N"},{"Metabolite":"Ala/Glu/Gln/Glu","retention time":"15.46211255","mass":"475.1925033","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"MXTROJWBRLBMFL-NAKRPEOUSA-N"},{"Metabolite":"Ala/Leu/Trp/Ser","retention time":"7.871818632","mass":"475.2429528","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"CFRVITSOCWONOX-VKOGCVSHSA-N"},{"Metabolite":"Glu/Met/Thr/Thr","retention time":"10.57323928","mass":"480.1879512","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"KHPJERZLYANWAG-IJJRAJKASA-N"},{"Metabolite":"Caffeoylferuloylspermidine","retention time":"9.356281415","mass":"483.2366358","KEGGid":"0","HMDBID":"HMDB0038843_HMDB0033470","Lmid":"0","InchiKEY":"YUUGXIVVDZSRNR-MKICQXMISA-N"},{"Metabolite":"Ala/Glu/Glu/His","retention time":"15.1388972","mass":"484.1921288","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"RNHYAZHWJPLGBE-BQUFFADESA-N"},{"Metabolite":"Arg/Val/Val/Asp","retention time":"14.19458332","mass":"487.2753331","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"XFGSBZKJMKXQPD-JURCDPSOSA-N"},{"Metabolite":"Citicoline","retention time":"15.15288154","mass":"488.1076968","KEGGid":"C00307","HMDBID":"HMDB0001413_HMDB01413","Lmid":"0","InchiKEY":"RZZPDXZPRHQOCG-OJAKKHQRSA-N"},{"Metabolite":"Asn/Leu/Lys/Asp","retention time":"13.57871382","mass":"488.259611","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"JMVLUKZRNMICOQ-XUXIUFHCSA-N"},{"Metabolite":"Asn/Met/Met/Pro","retention time":"15.12871196","mass":"491.1868568","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"MWTOBWMEKWDTCL-XUXIUFHCSA-N"},{"Metabolite":"LysoPC(16:0)","retention time":"7.864327777","mass":"495.3331201","KEGGid":"C04102_C04230","HMDBID":"HMDB0010382_HMDB0062541_HMDB10382","Lmid":"LMGP01050018_LMGP01050113","InchiKEY":"ASWBNKHCZGQVJV-HSZRJFAPSA-N"},{"Metabolite":"PE(19:0)","retention time":"4.782812742","mass":"495.3332874","KEGGid":"0","HMDBID":"0","Lmid":"LMGP02050028","InchiKEY":"GEWUBFCXNZWHKH-HSZRJFAPSA-N"},{"Metabolite":"Asn/Asn/Ser/Tyr","retention time":"13.97458954","mass":"496.1925518","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"CWSGBGOWTVGNAW-XUXIUFHCSA-N"},{"Metabolite":"Asn/Leu/Asp/His","retention time":"11.49759681","mass":"497.2241659","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"GRXDCAIWLOVDQV-XUXIUFHCSA-N"},{"Metabolite":"Ala/Lys/Trp/Val","retention time":"27.90743963","mass":"502.2911446","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"TYSUOVMMELYOEP-ZEWNOJEFSA-N"},{"Metabolite":"Asp/Lys/Lys/Asp","retention time":"15.20098911","mass":"504.2543515","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"PRYPTEPAAGIRSZ-XUXIUFHCSA-N"},{"Metabolite":"Asp/Phe/Gln/Pro","retention time":"12.03453799","mass":"505.2174538","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"ORIDOQQOVKHZPS-QAETUUGQSA-N"},{"Metabolite":"Adenosine triphosphate","retention time":"15.9394898","mass":"506.9956894","KEGGid":"C00002","HMDBID":"HMDB00538_HMDB0000538","Lmid":"0","InchiKEY":"ZKHQWZAMYRWXGA-KQYNXXCUSA-N"},{"Metabolite":"Lys/Met/Met/Val","retention time":"13.83497493","mass":"507.2545018","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"DTAVFWLWKDVHPG-QAETUUGQSA-N"},{"Metabolite":"Asn/Leu/Thr/Tyr","retention time":"12.41892742","mass":"509.2490567","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"RVXHZIPVVGHBTD-UELOOKOOSA-N"},{"Metabolite":"Asp/Phe/Pro/His","retention time":"11.11660198","mass":"514.2176735","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"XOGKTPDSLHEBEA-VJANTYMQSA-N"},{"Metabolite":"Didodecyl thiobispropanoate","retention time":"6.232785612","mass":"514.4060123","KEGGid":"0","HMDBID":"HMDB0040172","Lmid":"0","InchiKEY":"GHKOFFNLGXMVNJ-UHFFFAOYSA-N"},{"Metabolite":"Glu/Ile/Gln/Lys","retention time":"12.66179125","mass":"516.2905976","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"GRHIPMMMQQUFNA-PQKJENKHSA-N"},{"Metabolite":"Glu/Glu/Ile/Met","retention time":"9.807956815","mass":"520.2195431","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"LVDKSJHXLFCLMB-DEEHTKSCSA-N"},{"Metabolite":"LysoPC(18:0)","retention time":"7.861822227","mass":"523.364427","KEGGid":"C04230","HMDBID":"HMDB0010384_HMDB11128_HMDB10384_HMDB0011128","Lmid":"LMGP01050028_LMGP01050026_LMGP01050076","InchiKEY":"IHNKQIMGVNPMTC-RUZDIDTESA-N"},{"Metabolite":"2-acetyl-1-alkyl-sn-glycero-3-phosphocholine","retention time":"4.710075748","mass":"523.3645316","KEGGid":"0","HMDBID":"HMDB0062195","Lmid":"LMGP01020046","InchiKEY":"HVAUUPRFYPCOCA-AREMUKBSSA-N"},{"Metabolite":"Ala/Glu/Ile/Pro/Thr","retention time":"7.845637243","mass":"529.2741482","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"WMUYDCBTADWQHV-CRADAHJUSA-N"},{"Metabolite":"Gln/Thr/Trp/Pro","retention time":"8.015781275","mass":"530.2483249","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"KGMXWXYDOSRHCN-OGVCVMLHSA-N"},{"Metabolite":"Arg/Leu/Lys/Asp","retention time":"12.04687452","mass":"530.3176828","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"ATWHWJOHRRQRRV-VGWMRTNUSA-N"},{"Metabolite":"Ponatinib","retention time":"10.45571467","mass":"532.2211526","KEGGid":"0","HMDBID":"HMDB0240214","Lmid":"0","InchiKEY":"PHXJVRSECIGDHY-UHFFFAOYSA-N"},{"Metabolite":"Ala/Asp/Met/Pro/Thr","retention time":"10.52109693","mass":"533.2170325","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"AYBSSXQIWPPCFJ-DPHLJDABSA-N"},{"Metabolite":"N-(eicosanoyl)-tetradecasphing-4-enine","retention time":"3.89338135","mass":"537.5132417","KEGGid":"C00195","HMDBID":"HMDB04949_HMDB00790_HMDB0000790_HMDB0004949","Lmid":"LMSP02010046_LMSP02010036_LMSP02010004","InchiKEY":"DLTXHYMYPKOZOA-TURZORIXSA-N"},{"Metabolite":"Glu/Glu/Gln/His","retention time":"15.71924504","mass":"541.2140217","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"ZQTURLVTZJFBLS-XUXIUFHCSA-N"},{"Metabolite":"Ala/Glu/Met/Pro/Thr","retention time":"9.979149955","mass":"547.2319173","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"OOTANMMRAGPFPT-ODIPTECFSA-N"},{"Metabolite":"6-(-D-glucosaminyl)-1-phosphatidyl-myo-inositol","retention time":"13.74679709","mass":"551.1242804","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"KMXDCNYDSLACTP-SQVFPUTGSA-N"},{"Metabolite":"Ala/Cys/Met/Met/Pro","retention time":"14.10273607","mass":"551.1909425","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"OIVRXVRZIZTOTL-QXKUPLGCSA-N"},{"Metabolite":"Cys/Lys/Thr/Thr/Thr","retention time":"13.90441476","mass":"552.2582433","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"YYUSXUFXPMICEF-ADHCLWAYSA-N"},{"Metabolite":"Asp/His/Pro/Ser/Thr","retention time":"12.19429597","mass":"555.2292581","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"ZREMWAAACUUZGR-KMNUQDDJSA-N"},{"Metabolite":"Cys/Gly/Lys/Ser/Tyr","retention time":"9.744831403","mass":"556.2315621","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"WHOCLTYPYIRCJP-XSLAGTTESA-N"},{"Metabolite":"CDP-glucose","retention time":"15.73274254","mass":"565.0703831","KEGGid":"C00501","HMDBID":"HMDB0003369_HMDB03369","Lmid":"0","InchiKEY":"CGPHZDRCVSLMCF-JZMIEXBBSA-N"},{"Metabolite":"Ala/Glu/Glu/Pro/Gln","retention time":"14.38906083","mass":"572.2439609","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"WNVSLGQKXMTCGT-YTFOTSKYSA-N"},{"Metabolite":"GDP-3,6-dideoxy-D-galactose","retention time":"12.35924903","mass":"573.0877804","KEGGid":"C05136","HMDBID":"0","Lmid":"0","InchiKEY":"GRUFZTGABLSDFG-PHMHICHTSA-N"},{"Metabolite":"Montecristin","retention time":"3.673600007","mass":"574.4950689","KEGGid":"0","HMDBID":"HMDB0029795","Lmid":"0","InchiKEY":"ULFROYYCMRNCTL-ACNZRUBCSA-N"},{"Metabolite":"Cohibin C","retention time":"3.67970834","mass":"576.5105205","KEGGid":"0","HMDBID":"HMDB0035397","Lmid":"0","InchiKEY":"HVFRQLAWDLEDRL-FLFQWRMESA-N"},{"Metabolite":"Ala/His/Ile/Ile/Gln","retention time":"11.47281375","mass":"580.33393","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"CTPLJMJCVPYRJX-ILULXJDESA-N"},{"Metabolite":"Cys/His/Pro/Gln/Thr","retention time":"16.46981484","mass":"584.2372429","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"VVUBDSUVXFJPEV-SUCKBVKUSA-N"},{"Metabolite":"Gly/His/His/His/Val","retention time":"7.869246897","mass":"585.2784467","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"WXKOCSYOAYXWEI-IWFBPKFRSA-N"},{"Metabolite":"Glu/Glu/Gln/Trp","retention time":"7.897207882","mass":"590.234124","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"IFZWDJWERARYFC-WNHJNPCNSA-N"},{"Metabolite":"Asp/Asp/Glu/Ile/Thr","retention time":"7.265300915","mass":"591.2377705","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"ATBLSEVGIVUBSR-NPAUZOFSSA-N"},{"Metabolite":"Cys/Asn/Asn/Arg/Ser","retention time":"13.70971553","mass":"592.2374756","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"FGRSPJMXSLWWLH-HTFCKZLJSA-N"},{"Metabolite":"Cys/Cys/Asp/Asp/Phe","retention time":"13.36449992","mass":"601.1511094","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"LBVGELNDEJRXBS-QXKUPLGCSA-N"},{"Metabolite":"1-(hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol","retention time":"3.683136113","mass":"602.5261135","KEGGid":"0","HMDBID":"0","Lmid":"LMGL02070023_LMGL02070011_LMGL02070004_LMGL02070024","InchiKEY":"MEBZUNIQLRMLRU-GXJVVETESA-N"},{"Metabolite":"Guanosine diphosphate mannose","retention time":"17.73896282","mass":"605.0768381","KEGGid":"C00394_C15925_C02280_C00096_C01581","HMDBID":"HMDB0003351_HMDB0001163_HMDB03351_HMDB01163_HMDB0062759","Lmid":"0","InchiKEY":"MVMSCBBUIHUTGJ-GDJBGNAASA-N"},{"Metabolite":"Oxidized glutathione","retention time":"17.07890755","mass":"612.1515508","KEGGid":"C00127","HMDBID":"HMDB03337_HMDB0003337","Lmid":"0","InchiKEY":"YPZRWBKMTBYPTK-UHFFFAOYSA-N"},{"Metabolite":"5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pentol-3,21-disulphate","retention time":"3.899041663","mass":"612.2643305","KEGGid":"0","HMDBID":"0","Lmid":"LMST01010329","InchiKEY":"KLTBPPZMCKDFRK-KZIJYIICSA-N"},{"Metabolite":"Cys/His/Ile/Ile/Lys","retention time":"4.705261117","mass":"612.3416868","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"YWTYZIIPFCOJRU-WMBWNXPESA-N"},{"Metabolite":"7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-5-[1- -D- ribofuranosyl 5-phosphate]-D-ribitol","retention time":"8.551932468","mass":"614.172018","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"ASUOGKFKMDYVPM-UHFFFAOYSA-N"},{"Metabolite":"CHAPS","retention time":"9.218321342","mass":"614.3962835","KEGGid":"C11321","HMDBID":"0","Lmid":"0","InchiKEY":"UMCMPZBLKLEWAF-VOVXMVHRSA-N"},{"Metabolite":"FeHM","retention time":"28.3440832","mass":"615.1691382","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"GGIDWJQWCUJYRY-RGGAHWMASA-L"},{"Metabolite":"ADP-ribose 1-2 cyclic phosphate","retention time":"16.43801117","mass":"621.0275221","KEGGid":"0","HMDBID":"HMDB11671_HMDB0011671","Lmid":"0","InchiKEY":"NPSPRYXPOGPCPM-PNUFQSOHSA-N"},{"Metabolite":"Asp/Phe/Phe/Gly/Arg","retention time":"3.885477828","mass":"640.2960796","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"NYDZIBLMBRYZPP-MLCQCVOFSA-N"},{"Metabolite":"Cer(d18:1/24:1)","retention time":"3.904978717","mass":"647.6215831","KEGGid":"C00195","HMDBID":"HMDB0004953_HMDB04953","Lmid":"LMSP02010009","InchiKEY":"VJSBNBBOSZJDKB-KPEYJIHVSA-N"},{"Metabolite":"Asp/His/Ile/Asn/Arg","retention time":"3.893066688","mass":"653.3241784","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"MIZNUKDGNRYWGL-FSXJVZOISA-N"},{"Metabolite":"Asp/His/Met/Pro/Arg","retention time":"10.02039631","mass":"654.2897509","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"XHVZBQIMLOEBLB-VMXHOPILSA-N"},{"Metabolite":"Phe/Ile/Lys/Lys/Lys","retention time":"3.86670834","mass":"662.4468491","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"KFTOTIQLZTUZOA-LSXSSXCESA-N"},{"Metabolite":"Fenugreekine","retention time":"14.01299444","mass":"663.1094714","KEGGid":"0","HMDBID":"HMDB0039421","Lmid":"0","InchiKEY":"LFERELMXERXKKQ-KMXXXSRASA-N"},{"Metabolite":"3,4,2',3',4'-Pentahydroxy-4-methoxychalcone 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)","retention time":"12.5755704","mass":"668.173232","KEGGid":"0","HMDBID":"0","Lmid":"LMPK12120179","InchiKEY":"CXLJITRXRSNEQL-VHNCEHAZSA-N"},{"Metabolite":"Asp/His/Ile/Val/Trp","retention time":"3.860007435","mass":"668.3276672","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"ZUYXXIOZJRFHPA-QUPOHJMMSA-N"},{"Metabolite":"cyclic GMP-AMP","retention time":"14.05281762","mass":"674.0993147","KEGGid":"0","HMDBID":"HMDB0060465","Lmid":"0","InchiKEY":"RFCBNSCSPXMEBK-INFSMZHSSA-N"},{"Metabolite":"SM(d18:1/14:0)","retention time":"7.828066622","mass":"674.5356018","KEGGid":"0","HMDBID":"HMDB12097_HMDB0012097","Lmid":"LMSP03010035_LMSP03010028","InchiKEY":"KYICBZWZQPCUMO-PSALXKTOSA-N"},{"Metabolite":"N-(docosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine","retention time":"7.816204608","mass":"688.5519814","KEGGid":"0","HMDBID":"0","Lmid":"LMSP03020022_LMSP03020008","InchiKEY":"INTONJGGXIKSRI-YPDYIYJKSA-N"},{"Metabolite":"PE(18:1/14:0)","retention time":"6.855799047","mass":"689.4990481","KEGGid":"C00350","HMDBID":"HMDB09019_HMDB0009019","Lmid":"0","InchiKEY":"ONLSYXWRWGUPKV-JUOLSMOWSA-N"},{"Metabolite":"PC(14:1/15:0)","retention time":"3.934900002","mass":"689.4993591","KEGGid":"C00157","HMDBID":"HMDB07933_HMDB0007901_HMDB07901_HMDB0007933","Lmid":"LMGP01011382_LMGP01011343_LMGP01011411_LMGP01010735_LMGP01011365_LMGP01011521_LMGP01011474_LMGP01011321_LMGP01011433","InchiKEY":"YKVGKTUIHABLLA-JUOLSMOWSA-N"},{"Metabolite":"PC(17:0/12:0)","retention time":"3.774255597","mass":"691.5150188","KEGGid":"C00157","HMDBID":"HMDB0007932_HMDB0007868_HMDB07868_HMDB07932","Lmid":"LMGP01011035_LMGP01011342_LMGP01011462_LMGP01011320_LMGP01010968_LMGP01011264_LMGP01010479_LMGP01011410_LMGP01011246_LMGP01011498_LMGP01010394_LMGP01010480_LMGP01010529","InchiKEY":"FKXLGHWVLBZNMB-PGUFJCEWSA-N"},{"Metabolite":"PE(14:0/18:0)","retention time":"6.997985027","mass":"691.5150717","KEGGid":"C00350","HMDBID":"HMDB08986_HMDB08923_HMDB0029174_HMDB08826_HMDB0008986_HMDB0008826_HMDB0008923","Lmid":"LMGP02011254_LMGP02011187_LMGP02011234_LMGP02011248_LMGP02011259_LMGP02010023_LMGP02011206_LMGP02011214_LMGP02011182_LMGP02010037","InchiKEY":"AUSLLMXXJBCZGL-PGUFJCEWSA-N"},{"Metabolite":"Asp/Phe/Phe/Ile/Arg","retention time":"3.865137058","mass":"696.3584773","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"ZEVNOORMDSZIGR-YQNATFCZSA-N"},{"Metabolite":"N-(tricosanoyl)-tetradecasphingadienine-1-phosphoethanolamine","retention time":"7.818701822","mass":"700.5513864","KEGGid":"0","HMDBID":"0","Lmid":"LMSP03020041_LMSP03020057_LMSP03020045","InchiKEY":"GHOYZKFJGQWFEZ-IGUKYYCESA-N"},{"Metabolite":"N-(tricosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine","retention time":"7.80691133","mass":"702.5675892","KEGGid":"0","HMDBID":"0","Lmid":"LMSP03020017_LMSP03020023_LMSP03020010","InchiKEY":"DAJDHSUNMLBGKS-GWQJGLRPSA-N"},{"Metabolite":"PC(14:0/16:0)","retention time":"4.146751842","mass":"705.5310595","KEGGid":"C00157","HMDBID":"HMDB0007965_HMDB0007934_HMDB0007869_HMDB07965_HMDB07869_HMDB07934","Lmid":"LMGP01010483_LMGP01011265_LMGP01010561_LMGP01010461_LMGP01010560_LMGP01010416_LMGP01010702_LMGP01010438_LMGP01010736_LMGP01010995_LMGP01010481_LMGP01010969_LMGP01010530_LMGP01010395","InchiKEY":"RFVFQQWKPSOBED-PSXMRANNSA-N"},{"Metabolite":"PE(14:0/20:3)","retention time":"4.037390745","mass":"713.5003049","KEGGid":"C00350","HMDBID":"HMDB08929_HMDB08961_HMDB0008837_HMDB08868_HMDB08837_HMDB0008961_HMDB0008930_HMDB09089_HMDB0009154_HMDB0009121_HMDB09284_HMDB0008929_HMDB0009284_HMDB09154_HMDB0009349_HMDB0008836_HMDB09121_HMDB08836_HMDB0009089_HMDB09349_HMDB0008868_HMDB08930","Lmid":"LMGP02010904_LMGP02010600_LMGP02010041_LMGP02010659_LMGP02010047_LMGP02010417_LMGP02010570_LMGP02011219_LMGP02011224_LMGP02010685_LMGP02010442_LMGP02010874","InchiKEY":"XWFNQNWYEQUBPP-AXXMIQHMSA-N"},{"Metabolite":"Asp/Met/Met/Arg/Tyr","retention time":"15.13528883","mass":"714.2813636","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"QVJKFALRQYSZOH-YFNVTMOMSA-N"},{"Metabolite":"PE(16:0(9Cp)/16:0(9Cp))","retention time":"4.061466645","mass":"715.5143918","KEGGid":"C00350","HMDBID":"HMDB0008867_HMDB09251_HMDB09088_HMDB08959_HMDB08928_HMDB08835_HMDB09283_HMDB0008835_HMDB09056_HMDB0008959_HMDB0009056_HMDB08867_HMDB0009283_HMDB08960_HMDB0009251_HMDB0008960_HMDB0009088_HMDB0008928","Lmid":"LMGP02010441_LMGP02011071_LMGP02010599_LMGP02010844_LMGP02011209_LMGP02010042_LMGP02010492_LMGP02011198_LMGP02010873_LMGP02011269_LMGP02010545_LMGP02010798_LMGP02011220_LMGP02010416_LMGP02011194_LMGP02010379","InchiKEY":"FTCITDHJQWUTEF-QQVMGQLUSA-N"},{"Metabolite":"N-(tetracosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine","retention time":"7.787413713","mass":"716.5829871","KEGGid":"0","HMDBID":"0","Lmid":"LMSP03020024_LMSP03020011","InchiKEY":"OMGHQYQULLCXMU-JXGHDCMNSA-N"},{"Metabolite":"PE(14:0/20:1)","retention time":"4.093450027","mass":"717.5301761","KEGGid":"C00350_C13877","HMDBID":"HMDB0008958_HMDB0009055_HMDB09250_HMDB08958_HMDB09055_HMDB08926_HMDB0008834_HMDB0008926_HMDB0009250_HMDB0008990_HMDB08866_HMDB08927_HMDB08990_HMDB0008866_HMDB08834_HMDB0009218_HMDB0008927_HMDB09218","Lmid":"LMGP02010524_LMGP02010378_LMGP02010100_LMGP02010843_LMGP02010491_LMGP02010010_LMGP02010415_LMGP02010770_LMGP02010440_LMGP02010569_LMGP02010797_LMGP02011204_LMGP02010009_LMGP02010824_LMGP02010099_LMGP02010544_LMGP02010311_LMGP02011040_LMGP02010462","InchiKEY":"BPFXNETZQIVTNB-OBYUZFALSA-N"},{"Metabolite":"Glu/Glu/Glu/Lys/Trp","retention time":"11.72295","mass":"719.3118153","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"QGGGWUHGXFWYMM-DUSBTPNUSA-N"},{"Metabolite":"Lys/Lys/Thr/Trp/Tyr","retention time":"3.857545387","mass":"724.390406","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"LWRRKMNVSZUBLI-WITISDLNSA-N"},{"Metabolite":"SM(d18:2/18:0)","retention time":"7.805061087","mass":"728.5835776","KEGGid":"C00550","HMDBID":"HMDB0012100_HMDB12101","Lmid":"LMSP03010050_LMSP03010051_LMSP03010029_LMSP03010048","InchiKEY":"NELGJAUZKNHZLS-NUIAMLAYSA-N"},{"Metabolite":"SM(d18:1/18:0)","retention time":"7.803523305","mass":"730.5985993","KEGGid":"C00550","HMDBID":"HMDB0001348_HMDB01348_HMDB0062559","Lmid":"LMSP03010001","InchiKEY":"LKQLRGMMMAHREN-YJFXYUILSA-O"},{"Metabolite":"Asp/Lys/Lys/Arg/Trp","retention time":"3.883851878","mass":"731.4082022","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"PLXDFMPDNNNPOF-GKKOWRRISA-N"},{"Metabolite":"PC(12:0/20:1)","retention time":"4.127261098","mass":"731.5464409","KEGGid":"C00157","HMDBID":"HMDB0007904_HMDB0007872_HMDB08032_HMDB07904_HMDB0007873_HMDB08001_HMDB0008001_HMDB07969_HMDB08097_HMDB0008064_HMDB07873_HMDB0008032_HMDB08064_HMDB07872_HMDB0007969_HMDB0008097","Lmid":"LMGP01011525_LMGP01011757_LMGP01011389_LMGP01010567_LMGP01011582_LMGP01010492_LMGP01010566_LMGP01011439_LMGP01010490_LMGP01011329_LMGP01011479_LMGP01011413_LMGP01011805_LMGP01010882_LMGP01012145_LMGP01010883_LMGP01011500_LMGP01011352_LMGP01010493","InchiKEY":"BUFPMOFUFXIVNG-YWTUKGCKSA-N"},{"Metabolite":"SM(d16:0/20:0)","retention time":"7.786008327","mass":"732.6128308","KEGGid":"C00550","HMDBID":"HMDB0012087_HMDB12087","Lmid":"LMSP03010053_LMSP03010054_LMSP03010020","InchiKEY":"YFAPMGSREHKRHM-IOLBBIBUSA-N"},{"Metabolite":"PC(16:0/16:0)","retention time":"4.819775043","mass":"733.5624347","KEGGid":"C00157","HMDBID":"HMDB0007871_HMDB07871_HMDB0000564_HMDB00564_HMDB0008031","Lmid":"LMGP01010488_LMGP01010397_LMGP01011080_LMGP01011062_LMGP01010489_LMGP01010565_LMGP01010564_LMGP01010704_LMGP01010970_LMGP01010537_LMGP01010997_LMGP01010418_LMGP01011267_LMGP01010463_LMGP01010444_LMGP01010739","InchiKEY":"KILNVBDSWZSGLL-KXQOOQHDSA-N"},{"Metabolite":"PE(15:0/20:0)","retention time":"5.739217423","mass":"733.5624457","KEGGid":"C00350","HMDBID":"HMDB0009219_HMDB08899_HMDB09219_HMDB0008899","Lmid":"LMGP02011212_LMGP02010173_LMGP02010625_LMGP02011168_LMGP02010401_LMGP02010825_LMGP02010357_LMGP02010463_LMGP02011164_LMGP02010418_LMGP02010171_LMGP02010178","InchiKEY":"NJGIRBISCGPRPF-KXQOOQHDSA-N"},{"Metabolite":"Cys/Gly/Trp/Trp/Trp","retention time":"10.3728454","mass":"736.2786197","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"UPYXZKMZKYBICA-MKKRQWMVSA-N"},{"Metabolite":"PE(14:0/22:5)","retention time":"4.008994448","mass":"737.4999042","KEGGid":"C00350","HMDBID":"HMDB08970_HMDB09191_HMDB0009581_HMDB0009063_HMDB09190_HMDB0009126_HMDB0008971_HMDB08877_HMDB0008970_HMDB0009386_HMDB0009190_HMDB0009095_HMDB09581_HMDB0009159_HMDB0008846_HMDB0008939_HMDB0009094_HMDB09126_HMDB0009191_HMDB08939_HMDB09094_HMDB09159_HMDB09095_HMDB09063_HMDB09030_HMDB0009451_HMDB09451_HMDB08971_HMDB09386_HMDB0008877_HMDB08845_HMDB0009030","Lmid":"LMGP02010644_LMGP02010450_LMGP02010665_LMGP02011217_LMGP02010692_LMGP02010939_LMGP02010664_LMGP02010968_LMGP02011105_LMGP02010750_LMGP02011221_LMGP02010721","InchiKEY":"OLTAMBWFMLAKHP-QOIQEGQCSA-N"},{"Metabolite":"NADP","retention time":"16.43813335","mass":"743.0758514","KEGGid":"C00006","HMDBID":"HMDB00217_HMDB0000217","Lmid":"0","InchiKEY":"XJLXINKUBYWONI-NNYOXOHSSA-O"},{"Metabolite":"PE(20:4/P-18:1)","retention time":"3.96075","mass":"749.5350876","KEGGid":"C00350","HMDBID":"HMDB09447_HMDB0009447","Lmid":"0","InchiKEY":"IQSPCSIULMCRPM-ZAJUHDLGSA-N"},{"Metabolite":"PE(O-18:1/20:4)","retention time":"3.934426447","mass":"751.5528013","KEGGid":"C00350","HMDBID":"HMDB0005779_HMDB0011358_HMDB11358_HMDB05779","Lmid":"LMGP02030078_LMGP02030033_LMGP02030003","InchiKEY":"URPXXNCTXCOATD-FXMFQVEGSA-N"},{"Metabolite":"His/Arg/Arg/Val/Trp","retention time":"6.920463682","mass":"752.4209235","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"RITMVMSRCCRSJC-KGRAHGMMSA-N"},{"Metabolite":"SM(d18:1/20:1)","retention time":"7.775487263","mass":"756.6140443","KEGGid":"0","HMDBID":"0","Lmid":"LMSP03010059_LMSP03010058_LMSP03010060","InchiKEY":"MDRFMTLYKHBJTF-NQYLGBTJSA-N"},{"Metabolite":"PE(15:0/22:2)","retention time":"5.10955154","mass":"757.5616236","KEGGid":"C00350","HMDBID":"HMDB10565_HMDB08909_HMDB0010565_HMDB0008909_HMDB09549_HMDB0009549","Lmid":"LMGP02010646_LMGP02010338_LMGP02010805_LMGP02011075_LMGP02010553_LMGP02010850_LMGP02010879_LMGP02010609_LMGP02010580_LMGP02010776_LMGP02010471_LMGP02010501_LMGP02010331_LMGP02010830_LMGP02010667_LMGP02010333_LMGP02011045","InchiKEY":"ZHZTYDTVUSPVLX-UQZFHPPLSA-N"},{"Metabolite":"PC(14:0/20:2)","retention time":"4.106539397","mass":"757.5619031","KEGGid":"C00157","HMDBID":"HMDB0008296_HMDB0007912_HMDB0007880_HMDB0008101_HMDB0007973_HMDB07912_HMDB0008068_HMDB0008004_HMDB0008328_HMDB07880_HMDB08133_HMDB08005_HMDB08296_HMDB07973_HMDB0008005_HMDB08101_HMDB0008133_HMDB08068_HMDB08328_HMDB08004","Lmid":"LMGP01010887_LMGP01011559_LMGP01011808_LMGP01010932_LMGP01011373_LMGP01010688_LMGP01010678_LMGP01010745_LMGP01010589_LMGP01011504_LMGP01010920_LMGP01011837_LMGP01010933_LMGP01010689_LMGP01010591_LMGP01010926_LMGP01011398_LMGP01012147_LMGP01011449_LMGP01011761_LMGP01012035_LMGP01010687_LMGP01010592_LMGP01010587_LMGP01011336_LMGP01010586_LMGP01010588_LMGP01010727_LMGP01010590_LMGP01010728_LMGP01010594_LMGP01010585","InchiKEY":"IRYMXEVDAKMFIF-YBLKGUNISA-N"},{"Metabolite":"SM(d16:1/22:0)","retention time":"7.790583347","mass":"758.6291892","KEGGid":"C00550","HMDBID":"HMDB12102_HMDB0012102","Lmid":"LMSP03010061_LMSP03010005","InchiKEY":"XNBRFUCJENKXCT-SVLGDMRNSA-N"},{"Metabolite":"PS(16:0/18:2)","retention time":"3.792264797","mass":"759.5052679","KEGGid":"0","HMDBID":"HMDB0012358_HMDB0012388_HMDB12398_HMDB0012368_HMDB0012398_HMDB12358_HMDB0112541_HMDB0112567_HMDB0112278_HMDB12368_HMDB0112296_HMDB12388","Lmid":"LMGP03010286_LMGP03010128_LMGP03010756_LMGP03010901_LMGP03010066_LMGP03010881_LMGP03010531_LMGP03010232_LMGP03010877_LMGP03010891_LMGP03010560_LMGP03010103_LMGP03010976_LMGP03010485_LMGP03010179","InchiKEY":"ZGNVQERQNSXHHO-AOGDOVIASA-N"},{"Metabolite":"PE(37:1)","retention time":"4.11630531","mass":"759.5773395","KEGGid":"0","HMDBID":"0","Lmid":"LMGP02010579_LMGP02010645_LMGP02010500_LMGP02010804_LMGP02010829_LMGP02010470_LMGP02010849_LMGP02010552_LMGP02010775_LMGP02010534_LMGP02011044_LMGP02011018_LMGP02010995_LMGP02010631","InchiKEY":"FJJABKKCKHMFRD-QCFYSATCSA-N"},{"Metabolite":"PC(14:0/20:1)","retention time":"5.133865172","mass":"759.5773547","KEGGid":"C00157_C13875","HMDBID":"HMDB07879_HMDB0007879_HMDB07972_HMDB07971_HMDB0008003_HMDB08263_HMDB08295_HMDB08100_HMDB0008035_HMDB08003_HMDB0008100_HMDB0007971_HMDB08035_HMDB0008263_HMDB0007972_HMDB08067_HMDB0008067_HMDB07911_HMDB0007911_HMDB0008295","Lmid":"LMGP01010884_LMGP01010885_LMGP01011372_LMGP01010576_LMGP01011787_LMGP01011760_LMGP01011397_LMGP01010005_LMGP01010575_LMGP01011448_LMGP01011483_LMGP01011732_LMGP01011529_LMGP01012004_LMGP01010579_LMGP01010578_LMGP01011807_LMGP01011419_LMGP01010581_LMGP01010744_LMGP01011335_LMGP01011503_LMGP01012146","InchiKEY":"DMEBDXIQFIKNQR-OIJJMQLXSA-N"},{"Metabolite":"PE(15:0/22:1)","retention time":"5.603512897","mass":"759.5773674","KEGGid":"C00350","HMDBID":"HMDB08908_HMDB0008908","Lmid":"0","InchiKEY":"MUWFEEOSXPAQIY-LQOXNGKESA-N"},{"Metabolite":"PS(16:0/18:1)","retention time":"7.280563892","mass":"761.5188058","KEGGid":"C13880","HMDBID":"HMDB12367_HMDB0112274_HMDB0112540_HMDB0012387_HMDB0012377_HMDB0112512_HMDB12387_HMDB12357_HMDB0012357_HMDB0112277_HMDB0012367_HMDB12377_HMDB0112267","Lmid":"LMGP03010511_LMGP03010887_LMGP03010484_LMGP03010530_LMGP03010211_LMGP03010102_LMGP03010959_LMGP03010457_LMGP03010149_LMGP03010725_LMGP03010065_LMGP03010010_LMGP03010127_LMGP03010231_LMGP03010178_LMGP03010024_LMGP03010256_LMGP03010007","InchiKEY":"OIWCYIUQAVBPGV-DAQGAKHBSA-N"},{"Metabolite":"PC(35:6)","retention time":"3.949874058","mass":"763.5168522","KEGGid":"0","HMDBID":"0","Lmid":"LMGP01012098_LMGP01011455_LMGP01011931_LMGP01011362_LMGP01011710_LMGP01011566","InchiKEY":"VRRBNIYSTZBWNF-PSYSMSQMSA-N"},{"Metabolite":"PS(16:0/18:0)","retention time":"3.6761889","mass":"763.5358296","KEGGid":"0","HMDBID":"HMDB12356_HMDB0112511_HMDB0012376_HMDB12376_HMDB0012356_HMDB0112295","Lmid":"LMGP03010854_LMGP03010870_LMGP03010850_LMGP03010906_LMGP03010865_LMGP03010938_LMGP03010924_LMGP03010888_LMGP03010895_LMGP03010932_LMGP03010912","InchiKEY":"UYGORIHCWHGAJE-AARKOHAPSA-N"},{"Metabolite":"PE(16:0/22:1)","retention time":"4.093469478","mass":"773.5942009","KEGGid":"C00350","HMDBID":"HMDB09517_HMDB09255_HMDB0009064_HMDB0008973_HMDB09064_HMDB09224_HMDB08941_HMDB0009485_HMDB0009224_HMDB0009517_HMDB08999_HMDB09485_HMDB09223_HMDB0009255_HMDB0008941_HMDB0009223_HMDB08973_HMDB0008999_HMDB09031_HMDB0009031","Lmid":"LMGP02010143_LMGP02010997_LMGP02010138_LMGP02010136_LMGP02010585_LMGP02010141_LMGP02010535_LMGP02010810_LMGP02010780_LMGP02011020_LMGP02010137_LMGP02011046_LMGP02010139_LMGP02010512_LMGP02010852_LMGP02010135","InchiKEY":"XMJSNHMFTISTET-AFASEBMKSA-N"},{"Metabolite":"PC(14:0/22:4)","retention time":"4.088018187","mass":"781.5617302","KEGGid":"C00157","HMDBID":"HMDB08623_HMDB0008013_HMDB0008462_HMDB08138_HMDB07983_HMDB0008623_HMDB0008106_HMDB08202_HMDB08429_HMDB08106_HMDB0008107_HMDB08398_HMDB0008042_HMDB08014_HMDB08203_HMDB0008074_HMDB0008202_HMDB0007983_HMDB08170_HMDB0008429_HMDB0008073_HMDB07889_HMDB0008138_HMDB08042_HMDB0008203_HMDB08107_HMDB08234_HMDB07982_HMDB0008398_HMDB08073_HMDB0008014_HMDB0007982_HMDB0008170_HMDB08462_HMDB0008365_HMDB08074_HMDB0007889_HMDB08169_HMDB08013_HMDB0008234_HMDB0008169_HMDB08365","Lmid":"LMGP01012151_LMGP01011491_LMGP01010930_LMGP01011603_LMGP01010773_LMGP01010937_LMGP01010927_LMGP01012178_LMGP01010924_LMGP01011652_LMGP01010897_LMGP01010949_LMGP01012068_LMGP01010921_LMGP01011056_LMGP01010939_LMGP01010774_LMGP01011049_LMGP01012138_LMGP01010007_LMGP01011378_LMGP01012174_LMGP01010955_LMGP01012195_LMGP01011873_LMGP01012136_LMGP01012150_LMGP01010898_LMGP01010629_LMGP01011711","InchiKEY":"UDOCLKXJVMJFLD-CCHOKCMJSA-N"},{"Metabolite":"PS(16:0/20:4)","retention time":"7.203374085","mass":"783.5049932","KEGGid":"0","HMDBID":"HMDB0012421_HMDB12361_HMDB0112303_HMDB12431_HMDB12402_HMDB0012361_HMDB0112788_HMDB12421_HMDB12392_HMDB0012392_HMDB0112450_HMDB0012371_HMDB0012412_HMDB12412_HMDB12371_HMDB0112410_HMDB0112490_HMDB0012431_HMDB0012402_HMDB0112374","Lmid":"LMGP03010436_LMGP03010038_LMGP03010023_LMGP03010596_LMGP03010108_LMGP03010330_LMGP03010789_LMGP03010886_LMGP03010219_LMGP03010378_LMGP03010874_LMGP03010859_LMGP03010880","InchiKEY":"DKLQKRSJZISZKW-KNFJROLASA-N"},{"Metabolite":"SM(d18:2/22:0)","retention time":"7.775879975","mass":"784.646396","KEGGid":"C00550","HMDBID":"HMDB0012104_HMDB12104","Lmid":"LMSP03010092_LMSP03010072","InchiKEY":"APNZBDYCMWLVNM-NWHASJFHSA-N"},{"Metabolite":"PE(39:2)","retention time":"5.062257942","mass":"785.5926562","KEGGid":"0","HMDBID":"0","Lmid":"LMGP02010888_LMGP02010859_LMGP02010813_LMGP02011000_LMGP02010616_LMGP02010559_LMGP02011079_LMGP02011049_LMGP02010783_LMGP02010587_LMGP02011023_LMGP02010674","InchiKEY":"SEHASXPRKLRHPR-VZDDXLEPSA-N"},{"Metabolite":"PC(18:1/18:1)","retention time":"4.086951505","mass":"785.5927459","KEGGid":"C00157","HMDBID":"HMDB0062690_HMDB07888_HMDB0008103_HMDB0008011_HMDB08590_HMDB08070_HMDB07920_HMDB00593_HMDB0008071_HMDB0008559_HMDB0008039_HMDB0000593_HMDB0008299_HMDB08135_HMDB0007979_HMDB0008590_HMDB08011_HMDB0008331_HMDB08559_HMDB0008070_HMDB08103_HMDB0007888_HMDB0007920_HMDB08039_HMDB0008135_HMDB07979_HMDB08071_HMDB08299_HMDB08331","Lmid":"LMGP01010841_LMGP01010851_LMGP01011469_LMGP01010836_LMGP01011405_LMGP01010890_LMGP01010892_LMGP01010857_LMGP01011489_LMGP01012133_LMGP01011841_LMGP01012037_LMGP01011567_LMGP01010876_LMGP01010862_LMGP01012148_LMGP01012163_LMGP01012219_LMGP01010868_LMGP01011737_LMGP01010866_LMGP01010766_LMGP01011377_LMGP01010858_LMGP01011812_LMGP01010865_LMGP01010873_LMGP01010966_LMGP01012007_LMGP01010871_LMGP01010860_LMGP01010837_LMGP01011538_LMGP01011765_LMGP01010764_LMGP01010849_LMGP01010765_LMGP01010855_LMGP01010935_LMGP01010853_LMGP01010768","InchiKEY":"SNKAWJBJQDLSFF-YEUCEMRASA-N"},{"Metabolite":"SM(d16:1/24:0)","retention time":"7.778224252","mass":"786.6616634","KEGGid":"C00550","HMDBID":"HMDB12103_HMDB0012103","Lmid":"LMSP03010073_LMSP03010006","InchiKEY":"ZMVICCPXQQIKAC-TWKUQIQBSA-N"},{"Metabolite":"PS(18:0/18:2)","retention time":"3.753190725","mass":"787.5367274","KEGGid":"0","HMDBID":"HMDB0012390_HMDB0112570_HMDB0112288_HMDB0012400_HMDB12380_HMDB0112346_HMDB0112544_HMDB12390_HMDB0012380_HMDB0112761_HMDB0112302_HMDB12400","Lmid":"LMGP03010294_LMGP03010728_LMGP03010031_LMGP03010461_LMGP03010107_LMGP03010758_LMGP03010030_LMGP03010265_LMGP03010564_LMGP03010135_LMGP03010197_LMGP03010489_LMGP03010217_LMGP03010876_LMGP03010535","InchiKEY":"AGTPCXBHIGMTEU-NREGDSCDSA-N"},{"Metabolite":"PE(39:1)","retention time":"5.042501485","mass":"787.6075845","KEGGid":"0","HMDBID":"0","Lmid":"LMGP02010834_LMGP02010782_LMGP02010812_LMGP02011022_LMGP02010586_LMGP02010999_LMGP02010858_LMGP02010649_LMGP02011048_LMGP02010558","InchiKEY":"BFSQUORFEZERPH-NYJULOOZSA-N"},{"Metabolite":"PC(14:0/22:1)","retention time":"4.10465682","mass":"787.6078456","KEGGid":"C00157","HMDBID":"HMDB08526_HMDB0008038_HMDB08037_HMDB0008037_HMDB08010_HMDB08266_HMDB0008526_HMDB08298_HMDB0008298_HMDB0008010_HMDB07919_HMDB0007978_HMDB0008069_HMDB08038_HMDB07978_HMDB0007887_HMDB0008102_HMDB07887_HMDB08558_HMDB08069_HMDB0008558_HMDB08102_HMDB0007919_HMDB0008266","Lmid":"LMGP01010750_LMGP01010754_LMGP01010756_LMGP01010618_LMGP01010761_LMGP01010840_LMGP01010758_LMGP01012218_LMGP01011488_LMGP01010751_LMGP01011376_LMGP01011404_LMGP01011037_LMGP01010753_LMGP01011736_LMGP01011811_LMGP01012129_LMGP01011790_LMGP01011980_LMGP01010888_LMGP01011510_LMGP01011468_LMGP01011764_LMGP01011456_LMGP01010759_LMGP01011537_LMGP01012006_LMGP01011957","InchiKEY":"LOVKBDFNFACEND-HSEDGGQWSA-N"},{"Metabolite":"Gly/Arg/Trp/Trp/Trp","retention time":"4.337491665","mass":"789.3728112","KEGGid":"0","HMDBID":"0","Lmid":"0","InchiKEY":"WMNYESZXFODRBR-BBACVFHCSA-N"},{"Metabolite":"PS(18:0/18:1)","retention time":"7.209883358","mass":"789.5498296","KEGGid":"C02737","HMDBID":"HMDB0010163_HMDB0112286_HMDB0112287_HMDB0112708_HMDB0112543_HMDB12389_HMDB0112279_HMDB0012389_HMDB0112515_HMDB10163","Lmid":"LMGP03010106_LMGP03010216_LMGP03010702_LMGP03010025_LMGP03010134_LMGP03010727_LMGP03010967_LMGP03010264_LMGP03010186_LMGP03010034_LMGP03010514_LMGP03010679_LMGP03010534_LMGP03010460_LMGP03010488_LMGP03010238","InchiKEY":"AJFWREUFUPEYII-PAHWMLEVSA-N"},{"Metabolite":"PS(18:0/18:0)","retention time":"3.671886118","mass":"791.5666052","KEGGid":"0","HMDBID":"HMDB0112514_HMDB0112300_HMDB0112707_HMDB12378_HMDB0012378_HMDB0112345","Lmid":"LMGP03010921_LMGP03010678_LMGP03010864_LMGP03010459_LMGP03010911_LMGP03010036_LMGP03010848_LMGP03010035_LMGP03010237","InchiKEY":"TZCPCKNHXULUIY-RGULYWFUSA-N"},{"Metabolite":"PG(16:0/22:6)","retention time":"3.578513887","mass":"794.5087201","KEGGid":"0","HMDBID":"HMDB0010683_HMDB0010669_HMDB10668_HMDB0010655_HMDB0116584_HMDB10584_HMDB0010684_HMDB0010597_HMDB10684_HMDB0116629_HMDB0010584_HMDB10598_HMDB10669_HMDB10655","Lmid":"LMGP04010041_LMGP04010632_LMGP04010446_LMGP04010846_LMGP04010574_LMGP04010604_LMGP04010603_LMGP04010857_LMGP04010388_LMGP04010416_LMGP04010878_LMGP04010875","InchiKEY":"HUFCXYMYEWLLHT-XNTJBMDASA-N"},{"Metabolite":"Acacetin 7-O-[6''-O-glucosyl-2''-O-(3'''-acetylrhamnosyl)glucoside","retention time":"12.9588232","mass":"796.2425759","KEGGid":"0","HMDBID":"0","Lmid":"LMPK12110465_LMPK12110459_LMPK12110466","InchiKEY":"CQOUYNHJMDGOBI-FKPZTOAXSA-N"},{"Metabolite":"SM(d18:2/23:0)","retention time":"7.769016708","mass":"798.6622241","KEGGid":"0","HMDBID":"0","Lmid":"LMSP03010075","InchiKEY":"JBDGKEXQKCCQFK-JWQIMADESA-N"},{"Metabolite":"SM(d18:1/23:0)","retention time":"7.767174123","mass":"800.6773375","KEGGid":"C00550","HMDBID":"HMDB12105_HMDB0012105","Lmid":"LMSP03010076_LMSP03010078","InchiKEY":"SXZWBNWTCVLZJN-NMIJJABPSA-N"},{"Metabolite":"PC(16:0/22:6)","retention time":"4.021123535","mass":"805.5626767","KEGGid":"C00157","HMDBID":"HMDB08212_HMDB0008148_HMDB0008083_HMDB08148_HMDB08467_HMDB08179_HMDB08147_HMDB08022_HMDB0008434_HMDB0008212_HMDB08243_HMDB08178_HMDB08404_HMDB0008371_HMDB0008339_HMDB08403_HMDB08211_HMDB0008404_HMDB08024_HMDB08498_HMDB08116_HMDB08434_HMDB0008116_HMDB0008498_HMDB08499_HMDB0008022_HMDB0008467_HMDB0008178_HMDB0008499_HMDB08339_HMDB0008243_HMDB08370_HMDB0007991_HMDB07991_HMDB0008179_HMDB0008370_HMDB0008024_HMDB0008403_HMDB0008725_HMDB0008211_HMDB08083_HMDB08725_HMDB0008147_HMDB08371","Lmid":"LMGP01010653_LMGP01010652_LMGP01012175_LMGP01011662_LMGP01011909_LMGP01010844_LMGP01010908_LMGP01011115_LMGP01012141_LMGP01012137_LMGP01012212_LMGP01011051_LMGP01011721_LMGP01011057_LMGP01012200_LMGP01011881_LMGP01011691_LMGP01012216_LMGP01011880_LMGP01010907_LMGP01012179_LMGP01010650_LMGP01012140_LMGP01011851_LMGP01010944_LMGP01011116_LMGP01012171_LMGP01010943_LMGP01012201","InchiKEY":"IESVDEZGAHUQJU-ZLBXKVHBSA-N"},{"Metabolite":"PC(16:0/22:5)","retention time":"4.049507395","mass":"807.577976","KEGGid":"C00157","HMDBID":"HMDB08337_HMDB0008115_HMDB08146_HMDB08115_HMDB08466_HMDB0008369_HMDB08306_HMDB08497_HMDB0008337_HMDB08369_HMDB07990_HMDB0008306_HMDB08081_HMDB0008402_HMDB0008627_HMDB0008465_HMDB08177_HMDB0008082_HMDB08432_HMDB0008081_HMDB0008497_HMDB0008338_HMDB08139_HMDB08050_HMDB08210_HMDB08114_HMDB0008433_HMDB0008210_HMDB0008177_HMDB0008050_HMDB0007990_HMDB08627_HMDB0007989_HMDB08082_HMDB08242_HMDB0008139_HMDB0008146_HMDB08338_HMDB0008242_HMDB0008021_HMDB07989_HMDB08433_HMDB08021_HMDB0008114_HMDB08402_HMDB0008432","Lmid":"LMGP01012073_LMGP01012211_LMGP01012170_LMGP01011908_LMGP01010805_LMGP01011720_LMGP01010905_LMGP01011879_LMGP01011690_LMGP01012199_LMGP01010807_LMGP01012157_LMGP01011850_LMGP01012165_LMGP01011661_LMGP01011821_LMGP01011849_LMGP01011633_LMGP01011497_LMGP01012156_LMGP01012208_LMGP01011937_LMGP01010645_LMGP01010647_LMGP01010648_LMGP01010906","InchiKEY":"MWXAIAMSOXOQJK-JIXVGTEKSA-N"},{"Metabolite":"PC(16:0/22:4)","retention time":"4.02295589","mass":"809.5929776","KEGGid":"C00157","HMDBID":"HMDB08368_HMDB08209_HMDB0008112_HMDB08464_HMDB0008336_HMDB08626_HMDB08113_HMDB0008305_HMDB08336_HMDB08049_HMDB08079_HMDB08431_HMDB08080_HMDB0008176_HMDB0008464_HMDB08401_HMDB0008431_HMDB0008079_HMDB08400_HMDB0008049_HMDB08112_HMDB0008304_HMDB08305_HMDB07988_HMDB08176_HMDB08241_HMDB0008241_HMDB08304_HMDB08273_HMDB0008080_HMDB0007988_HMDB08367_HMDB08145_HMDB0008145_HMDB0008368_HMDB0008401_HMDB08048_HMDB0008626_HMDB0008113_HMDB0008209_HMDB0008367_HMDB0008273_HMDB0008048_HMDB0008400","Lmid":"LMGP01011609_LMGP01010804_LMGP01012206_LMGP01012144_LMGP01012155_LMGP01011719_LMGP01011689_LMGP01011907_LMGP01012154_LMGP01011632_LMGP01010803_LMGP01010802_LMGP01011848_LMGP01011819_LMGP01012197_LMGP01011878_LMGP01010904_LMGP01011660_LMGP01011796_LMGP01010643_LMGP01010642_LMGP01011820_LMGP01012198_LMGP01012072","InchiKEY":"IRWRFKUTKSUFST-MDYGELLQSA-N"},{"Metabolite":"SM(d42:3)","retention time":"7.755984192","mass":"810.6619373","KEGGid":"0","HMDBID":"0","Lmid":"LMSP03010080","InchiKEY":"TXFLWJQVQCDUDZ-BRUGZULGSA-N"},{"Metabolite":"PS(18:0/20:4)","retention time":"6.969827137","mass":"811.5372115","KEGGid":"C02737","HMDBID":"HMDB0112522_HMDB0112431_HMDB12393_HMDB0112472_HMDB0012433_HMDB10165_HMDB0112550_HMDB12423_HMDB0112497_HMDB0112549_HMDB0012423_HMDB12383_HMDB0112791_HMDB0112455_HMDB0112352_HMDB0112575_HMDB0012393_HMDB12433_HMDB0010165_HMDB0012383","Lmid":"LMGP03010386_LMGP03010335_LMGP03010444_LMGP03010542_LMGP03010630_LMGP03010601_LMGP03010358_LMGP03010543_LMGP03010965_LMGP03010949_LMGP03010793_LMGP03010039_LMGP03010571_LMGP03010414","InchiKEY":"IULWELDCBXQXED-DWOSIAKHSA-N"},{"Metabolite":"SM(d18:2/24:0)","retention time":"7.764579565","mass":"812.6775731","KEGGid":"C00550","HMDBID":"HMDB12107_HMDB0012107","Lmid":"LMSP03010081_LMSP03010007","InchiKEY":"DACOGJMBYLZYDH-GXJPFUDISA-N"},{"Metabolite":"SM(d18:1/24:0)","retention time":"7.758713647","mass":"814.6923262","KEGGid":"0","HMDBID":"HMDB11697_HMDB0011697","Lmid":"LMSP03010008","InchiKEY":"QEDPUVGSSDPBMD-XTAIVQBESA-O"},{"Metabolite":"PS(16:0/22:2)","retention time":"3.669428692","mass":"815.567015","KEGGid":"0","HMDBID":"HMDB0112519_HMDB0112572_HMDB0112547_HMDB0112351_HMDB0112412_HMDB0112376_HMDB0112764_HMDB0112429","Lmid":"LMGP03010960_LMGP03010200_LMGP03010540_LMGP03010569_LMGP03010684_LMGP03010498_LMGP03010302_LMGP03010762_LMGP03010223_LMGP03010956_LMGP03010950_LMGP03010356_LMGP03010732","InchiKEY":"YEKGDVVXEDFZAD-MSHCTOOZSA-N"},{"Metabolite":"PS(16:1/22:0)","retention time":"3.664209253","mass":"817.5814712","KEGGid":"0","HMDBID":"HMDB0112411_HMDB0112375_HMDB0112545_HMDB0112364_HMDB0112711_HMDB0112518","Lmid":"LMGP03010272_LMGP03010199_LMGP03010951_LMGP03010539_LMGP03010957_LMGP03010961_LMGP03010467_LMGP03010683_LMGP03010222_LMGP03010497_LMGP03010731_LMGP03010706","InchiKEY":"SGXZEEXNPGEKSF-ZOMJBIPJSA-N"},{"Metabolite":"SM(d18:2/25:0)","retention time":"7.745539828","mass":"826.6933779","KEGGid":"0","HMDBID":"0","Lmid":"LMSP03010082_LMSP03010083","InchiKEY":"PBROMOQAZGFDHQ-GPQOMLTASA-N"},{"Metabolite":"N-(pentacosanoyl)-sphing-4-enine-1-phosphocholine","retention time":"7.691882512","mass":"828.7096812","KEGGid":"0","HMDBID":"0","Lmid":"LMSP03010027_LMSP03010087_LMSP03010086","InchiKEY":"JONXXLXMISNQNG-BXMSAMRLSA-N"},{"Metabolite":"PC(18:0/22:6)","retention time":"4.01834909","mass":"833.5938117","KEGGid":"C00157","HMDBID":"HMDB0008440_HMDB0008631_HMDB08314_HMDB0008314_HMDB0008727_HMDB0008505_HMDB08089_HMDB08088_HMDB0008345_HMDB0008088_HMDB0008122_HMDB08376_HMDB0008057_HMDB08473_HMDB08121_HMDB08601_HMDB08727_HMDB0008377_HMDB08153_HMDB08251_HMDB08122_HMDB08345_HMDB08409_HMDB08631_HMDB0008089_HMDB0008376_HMDB0008121_HMDB08505_HMDB0008153_HMDB0008409_HMDB08440_HMDB0008251_HMDB08057_HMDB0008601","Lmid":"LMGP01012107_LMGP01010912_LMGP01011828_LMGP01010822_LMGP01010846_LMGP01010821_LMGP01011917_LMGP01012079_LMGP01011888_LMGP01011945_LMGP01010823_LMGP01011728_LMGP01011858_LMGP01011639_LMGP01012051","InchiKEY":"FAUYAENFVCNTAL-PFFNLMTBSA-N"},{"Metabolite":"PC(18:0/22:5)","retention time":"3.998833347","mass":"835.6071946","KEGGid":"C00157","HMDBID":"HMDB08218_HMDB0008343_HMDB0008504_HMDB08375_HMDB08472_HMDB08313_HMDB08312_HMDB08629_HMDB0008250_HMDB08056_HMDB08055_HMDB08630_HMDB08504_HMDB08344_HMDB0008568_HMDB0008344_HMDB08407_HMDB0008055_HMDB0008439_HMDB0008185_HMDB0008056_HMDB08343_HMDB08120_HMDB08568_HMDB0008630_HMDB08250_HMDB08087_HMDB0008629_HMDB08600_HMDB08439_HMDB0008313_HMDB0008600_HMDB0008087_HMDB0008312_HMDB0008472_HMDB0008281_HMDB0008120_HMDB08185_HMDB0008599_HMDB08599_HMDB08281_HMDB0008407_HMDB0008218_HMDB0008375","Lmid":"LMGP01012191_LMGP01011887_LMGP01012050_LMGP01012188_LMGP01012225_LMGP01010816_LMGP01011697_LMGP01012204_LMGP01012231_LMGP01011668_LMGP01011727_LMGP01011800_LMGP01010818_LMGP01012160_LMGP01010911_LMGP01011613_LMGP01012214_LMGP01012020_LMGP01012183_LMGP01011857_LMGP01012078_LMGP01012049_LMGP01011827_LMGP01011916_LMGP01011944","InchiKEY":"GLPAGCOJQYNMCC-NEEAVLKMSA-N"},{"Metabolite":"PC(MonoMe(11,3)/MonoMe(11,3))","retention time":"3.726037018","mass":"837.5503618","KEGGid":"0","HMDBID":"HMDB0061440","Lmid":"0","InchiKEY":"IATWLRHXKRGRPF-UHFFFAOYSA-O"},{"Metabolite":"SM(d18:1/26:1)","retention time":"7.727139207","mass":"840.7083972","KEGGid":"C00550","HMDBID":"HMDB0013461","Lmid":"LMSP03010009","InchiKEY":"YXEXWUZHFGYOHJ-UOJCCMJYSA-N"},{"Metabolite":"SM(d18:1/26:0)","retention time":"7.737754135","mass":"842.7226879","KEGGid":"C00550","HMDBID":"HMDB11698_HMDB0011698","Lmid":"LMSP03010010","InchiKEY":"VRAWSAPVSSLIRI-MVUJCARGSA-O"},{"Metabolite":"PS(52:0)","retention time":"3.680546287","mass":"1027.78111","KEGGid":"0","HMDBID":"0","Lmid":"LMGP03010041","InchiKEY":"DMBATYOPPCIICJ-YWPJBLNKSA-N"}]
}

}