{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001134","ANALYSIS_ID":"AN001859","VERSION":"1","CREATED_ON":"February 8, 2019, 12:59 pm"},

"PROJECT":{"PROJECT_TITLE":"Plant metabolome responses to real and simulated biotic stress","PROJECT_TYPE":"Plant metabolomics","PROJECT_SUMMARY":"Introduction: Methyl jasmonate (MeJA) is an oxylipin hormone active in plant response signalling and defence against herbivory. Although MeJA is applied experimentally to mimic herbivory and induce plant defences, its downstream effects on the plant metabolome are yet largely uncharacterized, especially in the context of plant primary growth and the tissue-specificity of the response. Objectives: We investigated the growth and defence metabolome responses and resistance properties induced by MeJA and real caterpillar herbivory across different leaf stages of the wild annual plant Brassica nigra. Methods: MeJA- and mock-sprayed plants were consecutively treated with or without caterpillars. Foliar cell-bound compounds and herbivore-induced plant volatiles (HIPVs) were analysed combining gas chromatography (GC) and liquid chromatography (LC) time-of-flight mass-spectrometry (TOF/MS). Additionally, gene transcript analyses were performed in Arabidopsis. Results: Plant responses were stronger in young leaves which simultaneously induced higher chlorophyll levels. Both MeJA and caterpillars induced similar, but not identical, accumulation of tricarboxylic acids (TCAs), glucosinolates (GSLs) and phenylpropanoids (PPs), but only caterpillars led to depletion in amino acids. Caterpillars gained less weight when feeding on MeJA-treated plants, indicative of reduced host-plant quality and enhanced resistance. MeJA also caused a three-fold increase in the major defence compound allyl-GSL (sinigrin) upon caterpillar feeding, but did not alter HIPV profiles. Conclusions: The metabolomics approach showed how plant responses induced by real and simulated herbivory extend beyond the regulation of defence metabolism and are tightly modulated throughout leaf development. This leads to a new understanding of the plant metabolic potential that can be further exploited for future plant protection strategies.","INSTITUTE":"Umeå Plant Science Centre","LAST_NAME":"Papazian","FIRST_NAME":"Stefano","ADDRESS":"Umeå University","EMAIL":"stefano.papazian@umu.se","PHONE":"0046723160854"},

"STUDY":{"STUDY_TITLE":"GC-TOF-MS, Brassica nigra / MeJA + herbivory","STUDY_SUMMARY":"GC-TOF-MS, Brassica nigra / MeJA + herbivory","INSTITUTE":"Umeå Plant Science Centre","DEPARTMENT":"Plant Physiology","LAST_NAME":"Papazian","FIRST_NAME":"Stefano","ADDRESS":"Umeå University","EMAIL":"stefano.papazian@umu.se","PHONE":"0046723160854","NUM_GROUPS":"4","TOTAL_SUBJECTS":"55","STUDY_COMMENTS":"Measurements are chromatographic peak area normalized by internal standard, arbritrary units."},

"SUBJECT":{"SUBJECT_TYPE":"Plant","SUBJECT_SPECIES":"Brassica nigra","TAXONOMY_ID":"3710","AGE_OR_AGE_RANGE":"4 weeks old","HEIGHT_OR_HEIGHT_RANGE":"15-20 cm","SPECIES_GROUP":"Brassicacea"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"C1",
"Factors":{"Treatments":"control"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"C2",
"Factors":{"Treatments":"control"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"C3",
"Factors":{"Treatments":"control"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"C4",
"Factors":{"Treatments":"control"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"C5",
"Factors":{"Treatments":"control"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"C6",
"Factors":{"Treatments":"control"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"C7",
"Factors":{"Treatments":"control"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"C8",
"Factors":{"Treatments":"control"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"C9",
"Factors":{"Treatments":"control"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"C10",
"Factors":{"Treatments":"control"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"M1",
"Factors":{"Treatments":"methyl jasmonate"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"M2",
"Factors":{"Treatments":"methyl jasmonate"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"M3",
"Factors":{"Treatments":"methyl jasmonate"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"M4",
"Factors":{"Treatments":"methyl jasmonate"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"M5",
"Factors":{"Treatments":"methyl jasmonate"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"M6",
"Factors":{"Treatments":"methyl jasmonate"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"M7",
"Factors":{"Treatments":"methyl jasmonate"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"M8",
"Factors":{"Treatments":"methyl jasmonate"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"M9",
"Factors":{"Treatments":"methyl jasmonate"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"M10",
"Factors":{"Treatments":"methyl jasmonate"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"P1",
"Factors":{"Treatments":"pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"P2",
"Factors":{"Treatments":"pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"P3",
"Factors":{"Treatments":"pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"P4",
"Factors":{"Treatments":"pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"P5",
"Factors":{"Treatments":"pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"P6",
"Factors":{"Treatments":"pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"P7",
"Factors":{"Treatments":"pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"P8",
"Factors":{"Treatments":"pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"P9",
"Factors":{"Treatments":"pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"P10",
"Factors":{"Treatments":"pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"P11",
"Factors":{"Treatments":"pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"P12",
"Factors":{"Treatments":"pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"P13",
"Factors":{"Treatments":"pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"P14",
"Factors":{"Treatments":"pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"P15",
"Factors":{"Treatments":"pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"P16",
"Factors":{"Treatments":"pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"P17",
"Factors":{"Treatments":"pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"P18",
"Factors":{"Treatments":"pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"MP1",
"Factors":{"Treatments":"methyl jasmonate + pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"MP2",
"Factors":{"Treatments":"methyl jasmonate + pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"MP3",
"Factors":{"Treatments":"methyl jasmonate + pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"MP4",
"Factors":{"Treatments":"methyl jasmonate + pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"MP5",
"Factors":{"Treatments":"methyl jasmonate + pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"MP6",
"Factors":{"Treatments":"methyl jasmonate + pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"MP7",
"Factors":{"Treatments":"methyl jasmonate + pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"MP8",
"Factors":{"Treatments":"methyl jasmonate + pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"MP9",
"Factors":{"Treatments":"methyl jasmonate + pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"MP10",
"Factors":{"Treatments":"methyl jasmonate + pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"MP11",
"Factors":{"Treatments":"methyl jasmonate + pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"MP12",
"Factors":{"Treatments":"methyl jasmonate + pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"MP13",
"Factors":{"Treatments":"methyl jasmonate + pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"MP14",
"Factors":{"Treatments":"methyl jasmonate + pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"MP15",
"Factors":{"Treatments":"methyl jasmonate + pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"MP16",
"Factors":{"Treatments":"methyl jasmonate + pieris brassicae herbivory"}
},
{
"Subject ID":"Brassica nigra ecotype",
"Sample ID":"MP17",
"Factors":{"Treatments":"methyl jasmonate + pieris brassicae herbivory"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Leaf samples were harvested by cutting the petiole with scissors, wrapping the leaves in aluminium foil labelled with the plant's ID and leaf position, and immediately flash-freezing them in liquid nitrogen. Samples were then stored at -80°C until being further prepared for metabolic analysis.","SAMPLE_TYPE":"Plant","COLLECTION_LOCATION":"greenhouse","COLLECTION_DURATION":"1 hour","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Two types of treatment were used separately and in sequence: simulated herbivory with use of the phytohormone MeJA (M); real herbivory by P. brassicae caterpillars (P); and combined treatment (MP) where caterpillars were introduced to feed on (M)-plants for five days, after three days of MeJA pre-treatment. MeJA (Sigma-Aldrich, CAS Number 39924-52-2) was applied to the whole plant by spraying 5 mL (1mM, diluted in MilliQ water). First instar caterpillars (15 individuals per plant) were placed on the first fully expanded leaf (L4) of experimental plant and left to feed freely for five days.","PLANT_LIGHT_PERIOD":"16:8 hours light: dark cycle","PLANT_HUMIDITY":"50-70% RH","PLANT_TEMP":"20-22 °C","PLANT_GROWTH_STAGE":"vegetative (4 weeks)"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Each sample (10-12 mg) was extracted in 1 ml of cold chloroform:methanol:H2O (20:60:20 v/v), including 7.5 ng/µl of the isotope-labelled internal standard, SA-D4. Extracts were agitated with a 3 mm tungsten carbide bead for 3 min and centrifuged at 20,800 × g for 10 min at 4°C. The supernatant (200 μl) was dried and processed for GC/MS analyses","PROCESSING_STORAGE_CONDITIONS":"On ice","EXTRACT_STORAGE":"-80℃","SAMPLE_DERIVATIZATION":"Dry extracts were derivatized with methoxyamine and MSTFA"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Samples were analysed by GC-TOF-MS (on an Agilent 6890 gas chromatograph equipped with a 10 m x 0.18 mm silica capillary column with a 0.18 µm DB 5-MS UI stationary phase, J&W Scientific; connected to a LECO Pegasus III TOF-MS) operated using the LECO ChromaTOF® software package (Leco Corp., St Joseph, MI, USA). Retention indices (RIs) were calculated relative to those of a C8-C40 alkane series. Deconvolution, feature extraction and peak integration were performed using a Matlab® script developed in-house. Identification was achieved by comparing compounds' RIs and mass spectra to the SMC in-house mass spectra library and to the public Golm Metabolome Database developed by the Max Planck Institute (GMD-MPI; http://gmd.mpimp-golm.mpg.de). Samples were normalized with respect to the peak areas of the internal standards (methyl stearate and SA-D4).","CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Agilent 6890","COLUMN_NAME":"DB5-MS","FLOW_RATE":"1mL/min","INJECTION_TEMPERATURE":"270°C","INTERNAL_STANDARD":"salicylic acid","INTERNAL_STANDARD_MT":"stearic acid","CAPILLARY_VOLTAGE":"70-eV","OVEN_TEMPERATURE":"70°C to 320°C (40 °C /min)","RUNNING_VOLTAGE":"detector voltage 1,700V.","TRANSFERLINE_TEMPERATURE":"250°C"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6890","INSTRUMENT_TYPE":"GC-TOF","MS_TYPE":"EI","ION_MODE":"POSITIVE","MS_COMMENTS":"Samples were analysed by GC-TOF-MS (on an Agilent 6890 gas chromatograph equipped with a 10 m x 0.18 mm silica capillary column with a 0.18 µm DB 5-MS UI stationary phase, J&W Scientific; connected to a LECO Pegasus III TOF-MS) operated using the LECO ChromaTOF® software package (Leco Corp., St Joseph, MI, USA). Retention indices (RIs) were calculated relative to those of a C8-C40 alkane series. Deconvolution, feature extraction and peak integration were performed using a Matlab® script developed in-house. Identification was achieved by comparing compounds' RIs and mass spectra to the SMC in-house mass spectra library and to the public Golm Metabolome Database developed by the Max Planck Institute (GMD-MPI; http://gmd.mpimp-golm.mpg.de). Samples were normalized with respect to the peak areas of the internal standards (methyl stearate and SA-D4)."},

"MS_METABOLITE_DATA":{
"Units":"Normalized peak area",

"Data":[{"Metabolite":"ACONITIC ACID 3TMS","C1":"339362","C2":"309969","C3":"270240","C4":"361357","C5":"463844","C6":"152627","C7":"321253","C8":"174961","C9":"232346","C10":"162628","M1":"352915","M2":"486153","M3":"654369","M4":"418741","M5":"453418","M6":"459710","M7":"463862","M8":"457357","M9":"544265","M10":"660131","P1":"590840","P2":"872635","P3":"523354","P4":"792659","P5":"410405","P6":"594705","P7":"650531","P8":"483178","P9":"450237","P10":"581826","P11":"588108","P12":"627134","P13":"556874","P14":"395910","P15":"566133","P16":"702727","P17":"676450","P18":"558038","MP1":"459008","MP2":"281983","MP3":"403133","MP4":"620437","MP5":"664687","MP6":"817269","MP7":"198283","MP8":"860752","MP9":"486929","MP10":"652364","MP11":"496543","MP12":"835878","MP13":"655854","MP14":"367439","MP15":"591099","MP16":"727189","MP17":"737433"},{"Metabolite":"ADIPIC ACID TMS","C1":"122112","C2":"53320","C3":"36478","C4":"86165","C5":"34598","C6":"36421","C7":"33892","C8":"21344","C9":"20474","C10":"31185","M1":"28629","M2":"29399","M3":"61124","M4":"38934","M5":"23398","M6":"29727","M7":"22297","M8":"11090","M9":"22020","M10":"64968","P1":"26603","P2":"31871","P3":"26590","P4":"19336","P5":"15764","P6":"28544","P7":"30204","P8":"525072","P9":"18539","P10":"16686","P11":"78010","P12":"20073","P13":"87376","P14":"27324","P15":"36696","P16":"25910","P17":"29412","P18":"45232","MP1":"28947","MP2":"14598","MP3":"11987","MP4":"17090","MP5":"359319","MP6":"100306","MP7":"32094","MP8":"57249","MP9":"37439","MP10":"22776","MP11":"16114","MP12":"21460","MP13":"300531","MP14":"26907","MP15":"217343","MP16":"31916","MP17":"43173"},{"Metabolite":"ALLOTHREONINE,N,O,O-TMS","C1":"631187","C2":"614645","C3":"783521","C4":"923958","C5":"374371","C6":"482837","C7":"448165","C8":"674774","C9":"223466","C10":"403678","M1":"354488","M2":"603154","M3":"461278","M4":"577698","M5":"452653","M6":"700347","M7":"913649","M8":"736780","M9":"672910","M10":"598874","P1":"970526","P2":"409335","P3":"245338","P4":"412302","P5":"408591","P6":"501281","P7":"355483","P8":"194677","P9":"368415","P10":"224182","P11":"504261","P12":"449311","P13":"257890","P14":"521306","P15":"738931","P16":"322132","P17":"407891","P18":"229214","MP1":"381701","MP2":"358427","MP3":"260158","MP4":"557316","MP5":"513464","MP6":"459868","MP7":"235156","MP8":"513277","MP9":"535117","MP10":"301662","MP11":"705193","MP12":"540972","MP13":"490275","MP14":"391401","MP15":"400679","MP16":"331293","MP17":"785384"},{"Metabolite":"ARABINOSE MEOX 4TMS","C1":"100449","C2":"138461","C3":"163200","C4":"105712","C5":"133431","C6":"126385","C7":"94562","C8":"187327","C9":"129147","C10":"68289","M1":"70958","M2":"57804","M3":"73755","M4":"70199","M5":"65480","M6":"72800","M7":"88376","M8":"72119","M9":"47071","M10":"107487","P1":"107060","P2":"164260","P3":"106790","P4":"162371","P5":"106129","P6":"92604","P7":"134932","P8":"71370","P9":"76237","P10":"53552","P11":"171315","P12":"75959","P13":"113106","P14":"74501","P15":"96955","P16":"297844","P17":"51657","P18":"99152","MP1":"111920","MP2":"91021","MP3":"202307","MP4":"92471","MP5":"86169","MP6":"86998","MP7":"66092","MP8":"93785","MP9":"91251","MP10":"145039","MP11":"72063","MP12":"108247","MP13":"86773","MP14":"78166","MP15":"63081","MP16":"151597","MP17":"184732"},{"Metabolite":"ASCORBIC ACID 4TMS","C1":"102584","C2":"86282","C3":"134595","C4":"53673","C5":"94758","C6":"50704","C7":"66424","C8":"163913","C9":"104210","C10":"63608","M1":"72559","M2":"139283","M3":"112166","M4":"140666","M5":"97219","M6":"56330","M7":"208044","M8":"261818","M9":"62701","M10":"107897","P1":"242062","P2":"154805","P3":"109565","P4":"264252","P5":"179483","P6":"120424","P7":"207945","P8":"102019","P9":"232907","P10":"212044","P11":"160032","P12":"202027","P13":"125409","P14":"114160","P15":"95829","P16":"94751","P17":"149867","P18":"117458","MP1":"201087","MP2":"139630","MP3":"142532","MP4":"204977","MP5":"221788","MP6":"273991","MP7":"125522","MP8":"156925","MP9":"202840","MP10":"141871","MP11":"261403","MP12":"158561","MP13":"169954","MP14":"145798","MP15":"128069","MP16":"176455","MP17":"203740"},{"Metabolite":"ASPARAGINE,N,N,O-TMS","C1":"1819","C2":"5387","C3":"4975","C4":"8606","C5":"6145","C6":"4323","C7":"5992","C8":"8572","C9":"4343","C10":"10342","M1":"4087","M2":"5402","M3":"8405","M4":"8561","M5":"4704","M6":"6986","M7":"16514","M8":"5104","M9":"6470","M10":"5004","P1":"12706","P2":"6395","P3":"5328","P4":"9028","P5":"6230","P6":"2662","P7":"2389","P8":"1268","P9":"6365","P10":"0","P11":"4028","P12":"9354","P13":"0","P14":"13270","P15":"10757","P16":"4335","P17":"2311","P18":"5826","MP1":"4343","MP2":"5413","MP3":"0","MP4":"9219","MP5":"6793","MP6":"4203","MP7":"0","MP8":"0","MP9":"6997","MP10":"0","MP11":"13454","MP12":"4285","MP13":"7552","MP14":"5356","MP15":"4010","MP16":"0","MP17":"12153"},{"Metabolite":"CITRIC ACID 4TMS","C1":"3402448","C2":"3111886","C3":"1516439","C4":"3754489","C5":"8801819","C6":"951083","C7":"1709659","C8":"635408","C9":"2371004","C10":"1075284","M1":"4545323","M2":"6817809","M3":"9808356","M4":"5616167","M5":"8454385","M6":"6686867","M7":"4023260","M8":"4072408","M9":"11221558","M10":"9876431","P1":"3944062","P2":"14313495","P3":"5183651","P4":"7653781","P5":"2305699","P6":"4032654","P7":"5106980","P8":"4539634","P9":"3803491","P10":"4470693","P11":"7407805","P12":"10750433","P13":"6236562","P14":"7488118","P15":"11639366","P16":"14361582","P17":"12447289","P18":"7578723","MP1":"2819140","MP2":"4860603","MP3":"1796407","MP4":"10063827","MP5":"7338977","MP6":"10204000","MP7":"1295471","MP8":"12139241","MP9":"7839048","MP10":"13020583","MP11":"8968758","MP12":"8623237","MP13":"7419458","MP14":"5439377","MP15":"7836665","MP16":"7485509","MP17":"13433831"},{"Metabolite":"DEHYDROASCORBIC ACID DIMER TMS","C1":"530738","C2":"1442433","C3":"2285018","C4":"669460","C5":"1042850","C6":"970804","C7":"871597","C8":"1557258","C9":"1410329","C10":"676849","M1":"1214452","M2":"2137635","M3":"1642609","M4":"2153243","M5":"1398456","M6":"341510","M7":"3641518","M8":"2617029","M9":"801297","M10":"1325969","P1":"3203231","P2":"2549835","P3":"1163393","P4":"3119226","P5":"1712686","P6":"1467459","P7":"2133350","P8":"1444906","P9":"2828809","P10":"2267052","P11":"2391409","P12":"3295564","P13":"1410816","P14":"1718693","P15":"2232424","P16":"2329658","P17":"2976183","P18":"1414465","MP1":"2718023","MP2":"2330644","MP3":"2599869","MP4":"3931960","MP5":"2763130","MP6":"2768264","MP7":"1810610","MP8":"1739123","MP9":"3297375","MP10":"2157545","MP11":"3615524","MP12":"1856874","MP13":"2076021","MP14":"1804989","MP15":"1489502","MP16":"1824002","MP17":"3542122"},{"Metabolite":"FRUCTOSE MEOX 5TMS","C1":"4631236","C2":"9355891","C3":"6823461","C4":"2565339","C5":"3957854","C6":"9323443","C7":"6179472","C8":"8639393","C9":"4630893","C10":"7909949","M1":"1834416","M2":"2198175","M3":"1815196","M4":"1530629","M5":"2459931","M6":"1241569","M7":"2573288","M8":"2030092","M9":"1288738","M10":"2676897","P1":"2112195","P2":"4279338","P3":"1537815","P4":"2922054","P5":"3862675","P6":"3512363","P7":"4698064","P8":"1543902","P9":"1857041","P10":"2551581","P11":"3423489","P12":"2527100","P13":"4077941","P14":"3732510","P15":"8178144","P16":"9122076","P17":"2165819","P18":"2408286","MP1":"2368672","MP2":"1510906","MP3":"2062856","MP4":"2601918","MP5":"3829851","MP6":"2224131","MP7":"1543162","MP8":"2618656","MP9":"1827575","MP10":"2379512","MP11":"1770086","MP12":"1872180","MP13":"1974792","MP14":"2112545","MP15":"2570808","MP16":"3538158","MP17":"5826285"},{"Metabolite":"FUMARIC ACID TMS","C1":"2286761","C2":"2891446","C3":"2693066","C4":"2356826","C5":"1583020","C6":"1241352","C7":"6222745","C8":"4196468","C9":"764185","C10":"1682503","M1":"926383","M2":"1057593","M3":"1020725","M4":"912174","M5":"934834","M6":"1943585","M7":"1651900","M8":"1493998","M9":"822592","M10":"1558062","P1":"1761614","P2":"848361","P3":"1822429","P4":"1920875","P5":"1791455","P6":"2310009","P7":"2339870","P8":"2439565","P9":"1559485","P10":"2475045","P11":"1456438","P12":"1023481","P13":"1316607","P14":"983429","P15":"1045018","P16":"636676","P17":"812744","P18":"894554","MP1":"2414845","MP2":"855519","MP3":"1640506","MP4":"848478","MP5":"1361063","MP6":"1030859","MP7":"1426605","MP8":"1085829","MP9":"780438","MP10":"517652","MP11":"750810","MP12":"1605544","MP13":"1292077","MP14":"655214","MP15":"1267645","MP16":"1574565","MP17":"865470"},{"Metabolite":"GALACTOSE MEOX 5TMS","C1":"12719103","C2":"18514569","C3":"19229242","C4":"11026462","C5":"9688563","C6":"20035964","C7":"15547047","C8":"20653261","C9":"18969174","C10":"14182971","M1":"4385816","M2":"3730572","M3":"3037587","M4":"3356982","M5":"6380058","M6":"5591481","M7":"9032953","M8":"6854918","M9":"2546020","M10":"7004466","P1":"15182451","P2":"19931864","P3":"14792620","P4":"24799697","P5":"21239588","P6":"13493994","P7":"16566278","P8":"9128964","P9":"18161310","P10":"19255506","P11":"19411058","P12":"19748813","P13":"16804769","P14":"15842631","P15":"22207445","P16":"23662806","P17":"16486222","P18":"5978385","MP1":"11179469","MP2":"14654642","MP3":"16426992","MP4":"15646682","MP5":"17010980","MP6":"16048743","MP7":"16348735","MP8":"11341244","MP9":"16045649","MP10":"12590749","MP11":"19014488","MP12":"5498811","MP13":"13380717","MP14":"17877135","MP15":"13330881","MP16":"18098024","MP17":"19207843"},{"Metabolite":"GALACTURONIC ACID MEOX 5TMS","C1":"50745","C2":"42898","C3":"65634","C4":"40932","C5":"56566","C6":"32983","C7":"38001","C8":"84755","C9":"47518","C10":"38130","M1":"42343","M2":"79480","M3":"64032","M4":"70723","M5":"57575","M6":"46304","M7":"121709","M8":"132027","M9":"36471","M10":"62336","P1":"126096","P2":"97862","P3":"57630","P4":"128111","P5":"88386","P6":"64955","P7":"113521","P8":"56697","P9":"116565","P10":"113096","P11":"83469","P12":"127508","P13":"63708","P14":"57179","P15":"51588","P16":"53638","P17":"85259","P18":"67047","MP1":"102405","MP2":"75246","MP3":"75054","MP4":"102956","MP5":"126683","MP6":"134228","MP7":"58996","MP8":"85916","MP9":"104129","MP10":"88083","MP11":"143401","MP12":"85818","MP13":"89187","MP14":"74210","MP15":"77115","MP16":"84409","MP17":"101849"},{"Metabolite":"GLUCONIC ACID 6TMS","C1":"295899","C2":"326742","C3":"334453","C4":"228626","C5":"294155","C6":"246483","C7":"237309","C8":"295947","C9":"285166","C10":"229970","M1":"219558","M2":"295149","M3":"389488","M4":"348674","M5":"302841","M6":"302622","M7":"571100","M8":"332707","M9":"370320","M10":"338631","P1":"704469","P2":"612586","P3":"504374","P4":"543622","P5":"585757","P6":"572655","P7":"608374","P8":"427750","P9":"631103","P10":"499371","P11":"489603","P12":"663057","P13":"432691","P14":"405556","P15":"377182","P16":"416457","P17":"476659","P18":"450357","MP1":"552880","MP2":"438217","MP3":"660695","MP4":"480368","MP5":"1322829","MP6":"638652","MP7":"335998","MP8":"739375","MP9":"517971","MP10":"630221","MP11":"705798","MP12":"574889","MP13":"430740","MP14":"457506","MP15":"665595","MP16":"835076","MP17":"928348"},{"Metabolite":"GLUCOSE MEOX 5TMS","C1":"13405469","C2":"18553911","C3":"19328306","C4":"11525514","C5":"9846666","C6":"19884542","C7":"15818159","C8":"20591476","C9":"18982489","C10":"14446826","M1":"4462466","M2":"3858741","M3":"3135649","M4":"3483087","M5":"6496018","M6":"6432584","M7":"9245042","M8":"6982729","M9":"2620053","M10":"7130894","P1":"15404842","P2":"19918867","P3":"14931338","P4":"24674968","P5":"21249411","P6":"13885489","P7":"16751441","P8":"9280246","P9":"18299416","P10":"19341268","P11":"19578309","P12":"19761579","P13":"16959266","P14":"15959046","P15":"22096036","P16":"23464627","P17":"16623660","P18":"6077093","MP1":"11325406","MP2":"14956180","MP3":"16664830","MP4":"15825341","MP5":"17213469","MP6":"16207445","MP7":"16469894","MP8":"11491650","MP9":"16185072","MP10":"12739698","MP11":"19018027","MP12":"5667279","MP13":"13529439","MP14":"17985153","MP15":"13457569","MP16":"18193049","MP17":"19239065"},{"Metabolite":"GLUCOSE-6-PHOSPHATE MEOX-6TMS","C1":"45887","C2":"59967","C3":"109984","C4":"73627","C5":"71601","C6":"72399","C7":"37086","C8":"47925","C9":"39109","C10":"71717","M1":"65837","M2":"71316","M3":"123063","M4":"112600","M5":"77702","M6":"55231","M7":"137745","M8":"57149","M9":"110788","M10":"66793","P1":"86395","P2":"125326","P3":"77506","P4":"68901","P5":"77438","P6":"47017","P7":"108299","P8":"38046","P9":"72446","P10":"53617","P11":"80279","P12":"119587","P13":"61285","P14":"73022","P15":"134437","P16":"115974","P17":"63107","P18":"61065","MP1":"41187","MP2":"169465","MP3":"172635","MP4":"135556","MP5":"114112","MP6":"119129","MP7":"29266","MP8":"112836","MP9":"167280","MP10":"71086","MP11":"120134","MP12":"86474","MP13":"55976","MP14":"93518","MP15":"68353","MP16":"112078","MP17":"226950"},{"Metabolite":"GLUCURONIC ACID-E-LACTONE MEOX 3TMS","C1":"12109695","C2":"14169390","C3":"14989521","C4":"10515051","C5":"8522585","C6":"14351266","C7":"13057618","C8":"14828904","C9":"14279054","C10":"11917419","M1":"4065169","M2":"3698894","M3":"3005362","M4":"3373931","M5":"5790092","M6":"7489962","M7":"8342182","M8":"6327890","M9":"2471829","M10":"6340333","P1":"12933503","P2":"14776748","P3":"12402938","P4":"17847154","P5":"15929526","P6":"12191138","P7":"13793785","P8":"8167054","P9":"14599927","P10":"15126590","P11":"15361454","P12":"14781458","P13":"13635300","P14":"12745470","P15":"16532323","P16":"17259405","P17":"13277557","P18":"5480011","MP1":"9744580","MP2":"12459171","MP3":"13665074","MP4":"12806322","MP5":"14036979","MP6":"13165920","MP7":"13067711","MP8":"9872010","MP9":"12908365","MP10":"10545982","MP11":"14331513","MP12":"5342772","MP13":"11497355","MP14":"14046523","MP15":"11236455","MP16":"14421168","MP17":"14524738"},{"Metabolite":"GLUTAMIC ACID,N,O,O-TMS","C1":"857966","C2":"790955","C3":"1290268","C4":"1007746","C5":"649369","C6":"577175","C7":"704002","C8":"999536","C9":"426669","C10":"606995","M1":"461922","M2":"824728","M3":"645082","M4":"840169","M5":"722519","M6":"950906","M7":"1171594","M8":"919994","M9":"805736","M10":"905989","P1":"1027000","P2":"906534","P3":"456764","P4":"829587","P5":"855012","P6":"746879","P7":"689653","P8":"398997","P9":"655014","P10":"730868","P11":"729477","P12":"868085","P13":"574930","P14":"720221","P15":"1095138","P16":"493981","P17":"809318","P18":"338511","MP1":"537919","MP2":"509637","MP3":"422493","MP4":"726224","MP5":"849107","MP6":"846621","MP7":"283913","MP8":"903829","MP9":"695027","MP10":"633165","MP11":"823147","MP12":"721157","MP13":"667803","MP14":"554453","MP15":"683957","MP16":"718676","MP17":"1193376"},{"Metabolite":"GLUTAMINE,N,N,O-TMS","C1":"213892","C2":"234102","C3":"353284","C4":"293261","C5":"143564","C6":"179971","C7":"191246","C8":"198331","C9":"54922","C10":"182229","M1":"107440","M2":"142086","M3":"154364","M4":"152123","M5":"110794","M6":"159375","M7":"371326","M8":"175872","M9":"210476","M10":"165245","P1":"203908","P2":"142407","P3":"152570","P4":"164528","P5":"127447","P6":"151235","P7":"116558","P8":"49353","P9":"114456","P10":"96185","P11":"181939","P12":"160279","P13":"67838","P14":"184570","P15":"246523","P16":"79073","P17":"127049","P18":"78959","MP1":"104134","MP2":"94973","MP3":"87837","MP4":"161601","MP5":"181008","MP6":"158918","MP7":"48831","MP8":"121048","MP9":"165941","MP10":"103365","MP11":"256625","MP12":"129488","MP13":"130259","MP14":"120140","MP15":"172906","MP16":"91774","MP17":"241947"},{"Metabolite":"GLYCERIC ACID 3TMS","C1":"35200","C2":"76895","C3":"95866","C4":"57492","C5":"126726","C6":"259654","C7":"154044","C8":"115946","C9":"32116","C10":"109083","M1":"154975","M2":"72297","M3":"102698","M4":"140897","M5":"75227","M6":"155928","M7":"276419","M8":"255785","M9":"59227","M10":"121472","P1":"50308","P2":"26101","P3":"40761","P4":"56216","P5":"34460","P6":"149009","P7":"47859","P8":"32327","P9":"194203","P10":"41292","P11":"49662","P12":"177254","P13":"14528","P14":"302855","P15":"94856","P16":"51254","P17":"147704","P18":"22201","MP1":"48968","MP2":"50421","MP3":"47824","MP4":"64293","MP5":"49784","MP6":"115564","MP7":"60739","MP8":"92643","MP9":"30514","MP10":"28286","MP11":"49141","MP12":"30812","MP13":"222788","MP14":"20068","MP15":"20680","MP16":"54160","MP17":"72455"},{"Metabolite":"GLYCINE,N,N,O-TMS","C1":"220969","C2":"268229","C3":"635161","C4":"406706","C5":"287140","C6":"260880","C7":"417140","C8":"460722","C9":"129445","C10":"251786","M1":"447306","M2":"536791","M3":"339133","M4":"301779","M5":"320403","M6":"639290","M7":"397225","M8":"308217","M9":"329449","M10":"303476","P1":"850441","P2":"884918","P3":"266496","P4":"647353","P5":"509169","P6":"931879","P7":"492322","P8":"257139","P9":"724551","P10":"578449","P11":"362956","P12":"656897","P13":"257225","P14":"478399","P15":"446000","P16":"388882","P17":"304027","P18":"211492","MP1":"573979","MP2":"291177","MP3":"424008","MP4":"1757643","MP5":"730609","MP6":"653848","MP7":"286571","MP8":"388550","MP9":"392185","MP10":"167353","MP11":"431974","MP12":"546070","MP13":"738461","MP14":"286951","MP15":"517897","MP16":"484267","MP17":"772163"},{"Metabolite":"HEXADECANOIC ACID-TMS","C1":"806561","C2":"913882","C3":"785285","C4":"781444","C5":"717778","C6":"708586","C7":"679883","C8":"743279","C9":"708194","C10":"658397","M1":"641828","M2":"860198","M3":"841045","M4":"860157","M5":"820750","M6":"725885","M7":"1142956","M8":"787206","M9":"957089","M10":"717737","P1":"880933","P2":"1147889","P3":"704390","P4":"817885","P5":"690943","P6":"818568","P7":"895633","P8":"694802","P9":"961834","P10":"690419","P11":"852678","P12":"1168241","P13":"865394","P14":"866140","P15":"1212656","P16":"1060021","P17":"689237","P18":"715320","MP1":"863536","MP2":"991582","MP3":"883132","MP4":"1192373","MP5":"1053197","MP6":"891900","MP7":"446678","MP8":"1024105","MP9":"1032299","MP10":"976568","MP11":"1151846","MP12":"973974","MP13":"799574","MP14":"834510","MP15":"867136","MP16":"1003495","MP17":"1327015"},{"Metabolite":"ISOCITRIC ACID 4TMS","C1":"3460898","C2":"3142600","C3":"1504623","C4":"3814809","C5":"9862118","C6":"984924","C7":"1713654","C8":"620770","C9":"2404516","C10":"1054484","M1":"4748107","M2":"7384979","M3":"11181139","M4":"6026375","M5":"9549028","M6":"6989507","M7":"4187501","M8":"4152139","M9":"13002252","M10":"11232221","P1":"4040782","P2":"17299339","P3":"5463219","P4":"8503082","P5":"2344732","P6":"4131833","P7":"5285418","P8":"4756845","P9":"4000988","P10":"4717193","P11":"8298029","P12":"12509870","P13":"6712049","P14":"8263274","P15":"13567347","P16":"17287326","P17":"14733626","P18":"8317561","MP1":"2728544","MP2":"5027936","MP3":"1780956","MP4":"11632768","MP5":"7957730","MP6":"11867756","MP7":"1286042","MP8":"14229969","MP9":"8824807","MP10":"15362504","MP11":"10142715","MP12":"9511823","MP13":"8107818","MP14":"5823329","MP15":"8828576","MP16":"8139274","MP17":"15955619"},{"Metabolite":"LEUCINE,N,O-TMS","C1":"179162","C2":"194601","C3":"0","C4":"176929","C5":"59594","C6":"128609","C7":"134932","C8":"179775","C9":"0","C10":"0","M1":"74736","M2":"0","M3":"103945","M4":"102805","M5":"75949","M6":"102420","M7":"164117","M8":"137574","M9":"93030","M10":"90361","P1":"512032","P2":"0","P3":"0","P4":"0","P5":"129695","P6":"250845","P7":"69273","P8":"51603","P9":"111814","P10":"58451","P11":"200193","P12":"223833","P13":"58842","P14":"435351","P15":"206491","P16":"136920","P17":"113526","P18":"53345","MP1":"342040","MP2":"75627","MP3":"62254","MP4":"157979","MP5":"107833","MP6":"124286","MP7":"47169","MP8":"92854","MP9":"175654","MP10":"51465","MP11":"477655","MP12":"163678","MP13":"252272","MP14":"99915","MP15":"128015","MP16":"78563","MP17":"220398"},{"Metabolite":"LYXOSE MEOX 4TMS","C1":"91930","C2":"130210","C3":"153216","C4":"87995","C5":"121420","C6":"120062","C7":"87202","C8":"161071","C9":"119889","C10":"68126","M1":"47552","M2":"63311","M3":"66076","M4":"58673","M5":"57045","M6":"72094","M7":"84639","M8":"62464","M9":"40596","M10":"103839","P1":"94042","P2":"152914","P3":"97101","P4":"153143","P5":"100533","P6":"86265","P7":"126461","P8":"71705","P9":"70012","P10":"54541","P11":"161468","P12":"72844","P13":"102634","P14":"69738","P15":"92259","P16":"264575","P17":"50209","P18":"91394","MP1":"100647","MP2":"78132","MP3":"181376","MP4":"78290","MP5":"78793","MP6":"76183","MP7":"62662","MP8":"92798","MP9":"83280","MP10":"129527","MP11":"56894","MP12":"100750","MP13":"82209","MP14":"78103","MP15":"54852","MP16":"143084","MP17":"169358"},{"Metabolite":"MALEIC ACID TMS","C1":"3457199","C2":"3768754","C3":"3908754","C4":"3405864","C5":"2377391","C6":"2257521","C7":"7071038","C8":"6188568","C9":"1304048","C10":"3204044","M1":"1632009","M2":"1842161","M3":"1668278","M4":"1541327","M5":"1656504","M6":"2969272","M7":"2570220","M8":"2739565","M9":"1604586","M10":"2654674","P1":"2757077","P2":"1630998","P3":"2850228","P4":"2943928","P5":"2833484","P6":"3081195","P7":"3475727","P8":"3467775","P9":"2468046","P10":"3507495","P11":"2291220","P12":"2145960","P13":"2451343","P14":"1732773","P15":"2070450","P16":"1315714","P17":"1476829","P18":"1713540","MP1":"2915726","MP2":"1861249","MP3":"2951206","MP4":"1864833","MP5":"2231239","MP6":"1949427","MP7":"1326833","MP8":"2050853","MP9":"1533622","MP10":"1071212","MP11":"1536299","MP12":"2752527","MP13":"2223056","MP14":"1255647","MP15":"2470666","MP16":"2491538","MP17":"1578507"},{"Metabolite":"MALIC ACID 3TMS","C1":"43015216","C2":"57323000","C3":"40737535","C4":"45875120","C5":"53127136","C6":"29876535","C7":"44113269","C8":"31151678","C9":"25485705","C10":"36881753","M1":"26975061","M2":"29961745","M3":"30117153","M4":"27546280","M5":"35056583","M6":"36377575","M7":"31541664","M8":"24067936","M9":"31019259","M10":"36275727","P1":"26625056","P2":"33642636","P3":"35905611","P4":"34168913","P5":"24737823","P6":"29603423","P7":"37384563","P8":"43689848","P9":"28232483","P10":"31828759","P11":"38973879","P12":"37298971","P13":"30347809","P14":"45549755","P15":"46815140","P16":"33530956","P17":"37636633","P18":"24632933","MP1":"25819438","MP2":"31115501","MP3":"18482961","MP4":"29930636","MP5":"32505508","MP6":"27700503","MP7":"17390904","MP8":"32996618","MP9":"32360712","MP10":"26498497","MP11":"35629532","MP12":"28386405","MP13":"27636612","MP14":"27138629","MP15":"27681535","MP16":"32092677","MP17":"39269932"},{"Metabolite":"MALTOTRIOSE MEOX TMS","C1":"190369","C2":"213710","C3":"227245","C4":"304206","C5":"148438","C6":"223640","C7":"67742","C8":"212513","C9":"130859","C10":"191758","M1":"200701","M2":"321852","M3":"859564","M4":"696182","M5":"428771","M6":"547890","M7":"1389126","M8":"402335","M9":"984457","M10":"319441","P1":"583330","P2":"754178","P3":"270010","P4":"417047","P5":"296621","P6":"267051","P7":"452166","P8":"100700","P9":"376218","P10":"275933","P11":"283339","P12":"760906","P13":"254021","P14":"323429","P15":"1139552","P16":"530488","P17":"95445","P18":"414749","MP1":"465207","MP2":"1008468","MP3":"872604","MP4":"1361633","MP5":"1128586","MP6":"911042","MP7":"230199","MP8":"1006228","MP9":"1087511","MP10":"474236","MP11":"1453266","MP12":"679744","MP13":"425017","MP14":"550350","MP15":"568972","MP16":"530969","MP17":"1905553"},{"Metabolite":"MANNITOL 6TMS","C1":"6931301","C2":"11574780","C3":"11895245","C4":"6593455","C5":"6525879","C6":"13396747","C7":"9760802","C8":"12617646","C9":"11876630","C10":"8724284","M1":"3257683","M2":"2632739","M3":"2220555","M4":"2388060","M5":"4570721","M6":"2586890","M7":"6274774","M8":"5004383","M9":"1853864","M10":"4988842","P1":"9954874","P2":"12486835","P3":"9907379","P4":"16048426","P5":"13276045","P6":"8631602","P7":"10743686","P8":"6493756","P9":"11601671","P10":"12254434","P11":"12042309","P12":"12392064","P13":"10784800","P14":"10130503","P15":"15191828","P16":"16287886","P17":"10509915","P18":"4425462","MP1":"7849351","MP2":"8991919","MP3":"10375826","MP4":"9865961","MP5":"10839130","MP6":"10323188","MP7":"10512324","MP8":"7807139","MP9":"10148650","MP10":"8288076","MP11":"11993825","MP12":"3997706","MP13":"9168674","MP14":"11231822","MP15":"9051504","MP16":"11658161","MP17":"12002558"},{"Metabolite":"MANNOSE MEOX 5TMS","C1":"32978312","C2":"40691065","C3":"34930540","C4":"30093108","C5":"29987869","C6":"36290861","C7":"35570769","C8":"32566864","C9":"35167687","C10":"35807568","M1":"19747424","M2":"18180034","M3":"16526393","M4":"17199219","M5":"23911398","M6":"18182429","M7":"29123929","M8":"24498087","M9":"15046878","M10":"25236808","P1":"36708583","P2":"36863074","P3":"34785405","P4":"31954231","P5":"34715421","P6":"33777170","P7":"37862093","P8":"27674168","P9":"39686057","P10":"36192299","P11":"41452796","P12":"35395620","P13":"37927418","P14":"35963618","P15":"33872239","P16":"34232978","P17":"38205815","P18":"23008530","MP1":"31532680","MP2":"36414591","MP3":"37183481","MP4":"37711361","MP5":"38254967","MP6":"39350185","MP7":"36976884","MP8":"32248782","MP9":"38703329","MP10":"34334372","MP11":"34704114","MP12":"23343419","MP13":"33949821","MP14":"39974197","MP15":"34269477","MP16":"39018528","MP17":"33842967"},{"Metabolite":"OCTADECADIENOIC ACID, 9,-(Z,Z)-TMS","C1":"488357","C2":"426821","C3":"437836","C4":"473664","C5":"436538","C6":"297092","C7":"438368","C8":"454356","C9":"422041","C10":"382938","M1":"360922","M2":"436234","M3":"335431","M4":"341916","M5":"367456","M6":"347176","M7":"384662","M8":"363111","M9":"359550","M10":"440569","P1":"467326","P2":"559574","P3":"345928","P4":"466498","P5":"370430","P6":"372043","P7":"518075","P8":"331430","P9":"462260","P10":"392261","P11":"420151","P12":"454649","P13":"427744","P14":"479444","P15":"467025","P16":"479952","P17":"450372","P18":"361649","MP1":"320005","MP2":"344469","MP3":"350036","MP4":"377219","MP5":"405308","MP6":"395256","MP7":"133159","MP8":"452686","MP9":"370503","MP10":"477216","MP11":"404778","MP12":"409724","MP13":"376469","MP14":"367138","MP15":"387405","MP16":"387751","MP17":"449405"},{"Metabolite":"OCTADECANOIC ACID-TMS","C1":"285473","C2":"294310","C3":"272107","C4":"229522","C5":"231014","C6":"189566","C7":"227354","C8":"247238","C9":"217009","C10":"180928","M1":"176694","M2":"237472","M3":"196851","M4":"198368","M5":"183541","M6":"215034","M7":"261671","M8":"218142","M9":"237293","M10":"207393","P1":"352383","P2":"282965","P3":"274830","P4":"315387","P5":"288096","P6":"329118","P7":"345087","P8":"230143","P9":"331677","P10":"256144","P11":"318342","P12":"364270","P13":"396504","P14":"235276","P15":"261638","P16":"393435","P17":"217908","P18":"204174","MP1":"333419","MP2":"273824","MP3":"262465","MP4":"306998","MP5":"291830","MP6":"253446","MP7":"266284","MP8":"261646","MP9":"293282","MP10":"250352","MP11":"231373","MP12":"346093","MP13":"284943","MP14":"214600","MP15":"305721","MP16":"379340","MP17":"331664"},{"Metabolite":"OCTADECATRIENOIC ACID, 9,,5-(Z,Z,Z)-TMS","C1":"425405","C2":"362581","C3":"380165","C4":"387133","C5":"389984","C6":"253658","C7":"368878","C8":"383748","C9":"372305","C10":"324372","M1":"316684","M2":"361889","M3":"295534","M4":"295373","M5":"320586","M6":"281187","M7":"355683","M8":"301202","M9":"310999","M10":"379793","P1":"390932","P2":"480686","P3":"303425","P4":"382045","P5":"307110","P6":"288351","P7":"423546","P8":"271697","P9":"364083","P10":"315392","P11":"336407","P12":"371390","P13":"359206","P14":"395210","P15":"385908","P16":"407747","P17":"375851","P18":"296387","MP1":"266687","MP2":"313394","MP3":"330811","MP4":"330103","MP5":"335728","MP6":"338468","MP7":"103367","MP8":"389901","MP9":"336871","MP10":"409040","MP11":"342200","MP12":"372223","MP13":"304194","MP14":"302995","MP15":"319692","MP16":"333824","MP17":"428805"},{"Metabolite":"PHENYLALANINE,N,O-TMS","C1":"58495","C2":"17113","C3":"48728","C4":"50340","C5":"19903","C6":"43561","C7":"36013","C8":"42563","C9":"22196","C10":"49496","M1":"25513","M2":"22592","M3":"35926","M4":"38398","M5":"15553","M6":"9710","M7":"31874","M8":"41549","M9":"23134","M10":"42083","P1":"33103","P2":"12285","P3":"5413","P4":"10445","P5":"9494","P6":"8202","P7":"12497","P8":"22208","P9":"17512","P10":"5081","P11":"14665","P12":"18059","P13":"2945","P14":"29127","P15":"24248","P16":"21593","P17":"10432","P18":"9093","MP1":"3793","MP2":"10325","MP3":"6405","MP4":"19013","MP5":"9206","MP6":"15072","MP7":"29208","MP8":"10589","MP9":"35173","MP10":"20493","MP11":"6834","MP12":"13669","MP13":"14966","MP14":"11643","MP15":"18515","MP16":"12164","MP17":"25566"},{"Metabolite":"PHOSPHATE","C1":"3145423","C2":"2602077","C3":"6557267","C4":"4792864","C5":"4290697","C6":"4292105","C7":"4185926","C8":"5031626","C9":"2985247","C10":"4195705","M1":"3657719","M2":"7725613","M3":"6525559","M4":"5561658","M5":"6069281","M6":"6695864","M7":"5859090","M8":"6001111","M9":"2685936","M10":"4165238","P1":"6349006","P2":"5621417","P3":"6436913","P4":"6420458","P5":"6824574","P6":"5272521","P7":"3679467","P8":"3423731","P9":"6363606","P10":"6336021","P11":"5771819","P12":"6024009","P13":"4466176","P14":"3565944","P15":"2592869","P16":"5849875","P17":"5850029","P18":"5365220","MP1":"3658644","MP2":"4596862","MP3":"5626355","MP4":"5695811","MP5":"4511572","MP6":"7400707","MP7":"3251659","MP8":"5474018","MP9":"8113466","MP10":"2201747","MP11":"5035332","MP12":"7517431","MP13":"5026966","MP14":"4053072","MP15":"5029332","MP16":"6350032","MP17":"6832308"},{"Metabolite":"PROLINE,N,O-TMS","C1":"547920","C2":"618226","C3":"412918","C4":"1294315","C5":"373444","C6":"416502","C7":"367446","C8":"486284","C9":"139907","C10":"311815","M1":"280039","M2":"501762","M3":"623510","M4":"490865","M5":"335137","M6":"273165","M7":"1310640","M8":"445108","M9":"670211","M10":"452910","P1":"839462","P2":"804913","P3":"558195","P4":"3695830","P5":"427296","P6":"663426","P7":"194689","P8":"167298","P9":"281748","P10":"141841","P11":"2399869","P12":"863951","P13":"214553","P14":"653980","P15":"905349","P16":"832831","P17":"197708","P18":"145243","MP1":"1082513","MP2":"424445","MP3":"178551","MP4":"352021","MP5":"688727","MP6":"550759","MP7":"146576","MP8":"287907","MP9":"1137757","MP10":"196259","MP11":"2649393","MP12":"681518","MP13":"872836","MP14":"512359","MP15":"210753","MP16":"554731","MP17":"1197263"},{"Metabolite":"RAFFINOSE TMS","C1":"16377239","C2":"19753298","C3":"17764429","C4":"19053526","C5":"18843107","C6":"19452624","C7":"15671372","C8":"15762916","C9":"10540336","C10":"13654262","M1":"9240369","M2":"19240118","M3":"17103300","M4":"17419522","M5":"16069461","M6":"18497000","M7":"24694113","M8":"18808266","M9":"15512453","M10":"14622395","P1":"42623881","P2":"42551120","P3":"28932349","P4":"38378132","P5":"28478989","P6":"53993722","P7":"32107276","P8":"16045515","P9":"29361688","P10":"26897710","P11":"18825374","P12":"37393707","P13":"17151689","P14":"40640205","P15":"32536023","P16":"37674643","P17":"25758971","P18":"17494370","MP1":"23770600","MP2":"19093709","MP3":"20306613","MP4":"27821452","MP5":"33538804","MP6":"29393771","MP7":"18162055","MP8":"27611167","MP9":"23317613","MP10":"15433601","MP11":"26327611","MP12":"21639703","MP13":"27883650","MP14":"19123990","MP15":"21923820","MP16":"24888706","MP17":"40195375"},{"Metabolite":"RHAMNOSE MEOX 4TMS","C1":"75413","C2":"78707","C3":"98521","C4":"78092","C5":"78608","C6":"81246","C7":"78243","C8":"102816","C9":"76591","C10":"47589","M1":"41124","M2":"67208","M3":"98790","M4":"65839","M5":"66041","M6":"105755","M7":"155863","M8":"70581","M9":"125746","M10":"76426","P1":"272939","P2":"181538","P3":"99153","P4":"240038","P5":"162551","P6":"220359","P7":"148802","P8":"86959","P9":"158745","P10":"565430","P11":"154568","P12":"569727","P13":"107207","P14":"119973","P15":"210246","P16":"206435","P17":"84346","P18":"129048","MP1":"332840","MP2":"250722","MP3":"226302","MP4":"518536","MP5":"322149","MP6":"580884","MP7":"188433","MP8":"218049","MP9":"146159","MP10":"169182","MP11":"379166","MP12":"203828","MP13":"190646","MP14":"133838","MP15":"303251","MP16":"190428","MP17":"278761"},{"Metabolite":"RIBITOL 5TMS","C1":"88816","C2":"90519","C3":"119708","C4":"135049","C5":"123283","C6":"34603","C7":"126928","C8":"149653","C9":"87806","C10":"82490","M1":"133100","M2":"159176","M3":"123644","M4":"159350","M5":"62701","M6":"129136","M7":"129787","M8":"104356","M9":"118405","M10":"176383","P1":"139585","P2":"225170","P3":"186839","P4":"250172","P5":"119327","P6":"111359","P7":"139685","P8":"116364","P9":"80331","P10":"173892","P11":"177543","P12":"147493","P13":"88680","P14":"189130","P15":"200067","P16":"108151","P17":"60717","P18":"122324","MP1":"68445","MP2":"147652","MP3":"122373","MP4":"77182","MP5":"129086","MP6":"73869","MP7":"164936","MP8":"139493","MP9":"103403","MP10":"70373","MP11":"103619","MP12":"235803","MP13":"111311","MP14":"177010","MP15":"168037","MP16":"178550","MP17":"249559"},{"Metabolite":"RIBOSE MEOX 4TMS","C1":"128365","C2":"162597","C3":"200307","C4":"134359","C5":"153009","C6":"147358","C7":"122540","C8":"220479","C9":"147340","C10":"87938","M1":"111296","M2":"78851","M3":"93189","M4":"88021","M5":"87757","M6":"106809","M7":"116264","M8":"96873","M9":"64846","M10":"125424","P1":"132359","P2":"191651","P3":"128634","P4":"192855","P5":"120015","P6":"115884","P7":"161881","P8":"84926","P9":"93193","P10":"66223","P11":"194057","P12":"93606","P13":"136702","P14":"86172","P15":"115437","P16":"340838","P17":"58556","P18":"118826","MP1":"134402","MP2":"117521","MP3":"241011","MP4":"113524","MP5":"109977","MP6":"113139","MP7":"78425","MP8":"113220","MP9":"118337","MP10":"167389","MP11":"97453","MP12":"135790","MP13":"109161","MP14":"96100","MP15":"79944","MP16":"179164","MP17":"210938"},{"Metabolite":"SACCHARIC ACID 6TMS","C1":"26392","C2":"40852","C3":"89158","C4":"45182","C5":"44801","C6":"45342","C7":"47215","C8":"51545","C9":"42137","C10":"32550","M1":"35849","M2":"76580","M3":"88858","M4":"75477","M5":"82898","M6":"58123","M7":"132087","M8":"91407","M9":"95157","M10":"43604","P1":"139216","P2":"113454","P3":"77318","P4":"101324","P5":"108578","P6":"95752","P7":"160015","P8":"71711","P9":"140148","P10":"89180","P11":"120412","P12":"173115","P13":"99650","P14":"63533","P15":"122316","P16":"94673","P17":"94719","P18":"91420","MP1":"148852","MP2":"109835","MP3":"115061","MP4":"188403","MP5":"184406","MP6":"151783","MP7":"61643","MP8":"190870","MP9":"120509","MP10":"110128","MP11":"175854","MP12":"137518","MP13":"118205","MP14":"128784","MP15":"127272","MP16":"119951","MP17":"243685"},{"Metabolite":"SALICIN-5TMS","C1":"149302","C2":"152989","C3":"99553","C4":"166761","C5":"190114","C6":"149311","C7":"364162","C8":"215477","C9":"175075","C10":"195538","M1":"107781","M2":"177507","M3":"223081","M4":"201673","M5":"142897","M6":"172349","M7":"238000","M8":"149877","M9":"232503","M10":"123495","P1":"743823","P2":"444944","P3":"284131","P4":"568239","P5":"432480","P6":"0","P7":"724475","P8":"254747","P9":"452350","P10":"255626","P11":"334611","P12":"353329","P13":"328187","P14":"124362","P15":"464168","P16":"494461","P17":"272039","P18":"217713","MP1":"375335","MP2":"257771","MP3":"471956","MP4":"339448","MP5":"511182","MP6":"276349","MP7":"185367","MP8":"333088","MP9":"267143","MP10":"364725","MP11":"259829","MP12":"381581","MP13":"300446","MP14":"291165","MP15":"303793","MP16":"605462","MP17":"466274"},{"Metabolite":"scyllo-INOSITOL 6TMS","C1":"8950938","C2":"9645671","C3":"10683430","C4":"12936463","C5":"10968329","C6":"13752696","C7":"11141200","C8":"12196586","C9":"9287036","C10":"6283123","M1":"4418596","M2":"10367403","M3":"11039126","M4":"11507684","M5":"7861747","M6":"15018044","M7":"14558665","M8":"10209625","M9":"13575686","M10":"11496207","P1":"18759173","P2":"18480076","P3":"11638494","P4":"20251281","P5":"16674073","P6":"15519582","P7":"17889061","P8":"8671821","P9":"15933797","P10":"17250748","P11":"15076291","P12":"18583885","P13":"14105375","P14":"13983316","P15":"12552980","P16":"18146325","P17":"16066426","P18":"9000123","MP1":"12719811","MP2":"11263647","MP3":"15664333","MP4":"14840777","MP5":"20336949","MP6":"18472926","MP7":"11282552","MP8":"17240560","MP9":"14900921","MP10":"12961065","MP11":"17602071","MP12":"14989735","MP13":"17150943","MP14":"14124010","MP15":"14636929","MP16":"15625387","MP17":"20257600"},{"Metabolite":"SERINE,N,O,O-TMS","C1":"930540","C2":"1186050","C3":"1726668","C4":"1398244","C5":"620618","C6":"940689","C7":"1178149","C8":"1340100","C9":"445203","C10":"719808","M1":"816894","M2":"932589","M3":"1160558","M4":"908548","M5":"562985","M6":"1209718","M7":"1603730","M8":"1063827","M9":"750349","M10":"1019095","P1":"1269169","P2":"915523","P3":"790494","P4":"935189","P5":"655973","P6":"1137032","P7":"849545","P8":"759485","P9":"998318","P10":"818575","P11":"748448","P12":"883324","P13":"331133","P14":"799926","P15":"798429","P16":"582050","P17":"699234","P18":"663316","MP1":"1082726","MP2":"650979","MP3":"820860","MP4":"1000199","MP5":"849594","MP6":"799328","MP7":"474001","MP8":"641115","MP9":"661421","MP10":"304734","MP11":"1099775","MP12":"853035","MP13":"870603","MP14":"424782","MP15":"821565","MP16":"668002","MP17":"1189857"},{"Metabolite":"SORBITOL 6TMS","C1":"12175917","C2":"19458252","C3":"20178638","C4":"10076996","C5":"8906746","C6":"22312015","C7":"15518147","C8":"23259132","C9":"20563236","C10":"14091028","M1":"3790704","M2":"3088121","M3":"2490853","M4":"2742586","M5":"5629765","M6":"4267737","M7":"7873152","M8":"5915025","M9":"2126412","M10":"6179390","P1":"14554407","P2":"21531397","P3":"14162789","P4":"27847854","P5":"22976892","P6":"12706735","P7":"16121997","P8":"8230099","P9":"18334817","P10":"19882219","P11":"20456556","P12":"21296330","P13":"16773386","P14":"16042672","P15":"24723948","P16":"25731479","P17":"16618388","P18":"5205776","MP1":"10410659","MP2":"14484009","MP3":"16413194","MP4":"15694475","MP5":"16892493","MP6":"15918559","MP7":"17125552","MP8":"10417280","MP9":"16152198","MP10":"12243793","MP11":"20233566","MP12":"4651104","MP13":"12532164","MP14":"18685603","MP15":"12698637","MP16":"18221873","MP17":"20513587"},{"Metabolite":"SORBITOL-6-PHOSPHATE-7TMS","C1":"5091","C2":"9956","C3":"22489","C4":"13202","C5":"16563","C6":"9575","C7":"5615","C8":"8110","C9":"5122","C10":"12873","M1":"9509","M2":"11496","M3":"11657","M4":"14306","M5":"17560","M6":"8955","M7":"12936","M8":"5650","M9":"9945","M10":"9973","P1":"24648","P2":"31395","P3":"9852","P4":"15341","P5":"26258","P6":"11531","P7":"28883","P8":"13032","P9":"13201","P10":"10906","P11":"15966","P12":"21764","P13":"13971","P14":"14629","P15":"20775","P16":"25368","P17":"9495","P18":"4098","MP1":"2793","MP2":"6246","MP3":"3697","MP4":"8198","MP5":"33546","MP6":"15596","MP7":"267","MP8":"13092","MP9":"21020","MP10":"15645","MP11":"10690","MP12":"11395","MP13":"6112","MP14":"18324","MP15":"8984","MP16":"24042","MP17":"36020"},{"Metabolite":"SORBOSE MEOX 5TMS","C1":"12871326","C2":"22378782","C3":"19102430","C4":"8564588","C5":"11857363","C6":"22638595","C7":"15456718","C8":"21427695","C9":"14281317","C10":"17941320","M1":"6151089","M2":"7586197","M3":"6679003","M4":"5775512","M5":"8471309","M6":"4443454","M7":"8533677","M8":"7209020","M9":"5416996","M10":"8882474","P1":"7172145","P2":"13917565","P3":"5487435","P4":"12276330","P5":"12596944","P6":"10949373","P7":"14065771","P8":"5694188","P9":"7040934","P10":"9146360","P11":"11441529","P12":"8350043","P13":"12830832","P14":"11062601","P15":"23949809","P16":"25182808","P17":"7652816","P18":"8097413","MP1":"7256640","MP2":"5143303","MP3":"6692355","MP4":"8280845","MP5":"11957073","MP6":"7613713","MP7":"4669829","MP8":"8533816","MP9":"6381059","MP10":"8713382","MP11":"6319145","MP12":"6628851","MP13":"6438931","MP14":"7582536","MP15":"8539839","MP16":"11587422","MP17":"17137145"},{"Metabolite":"SUCCINIC ACID TMS","C1":"1034717","C2":"1293807","C3":"2296115","C4":"2669754","C5":"1474635","C6":"998416","C7":"2453855","C8":"1313857","C9":"337933","C10":"1184933","M1":"1147842","M2":"2253437","M3":"1485885","M4":"1455054","M5":"1207506","M6":"3615223","M7":"2414187","M8":"3067027","M9":"836307","M10":"1832329","P1":"996321","P2":"1026833","P3":"933075","P4":"1462730","P5":"662744","P6":"770826","P7":"771383","P8":"530916","P9":"989677","P10":"1567534","P11":"595726","P12":"3190371","P13":"558558","P14":"850195","P15":"1159344","P16":"769818","P17":"982062","P18":"633626","MP1":"428486","MP2":"576142","MP3":"462512","MP4":"986286","MP5":"444020","MP6":"750212","MP7":"662432","MP8":"1079195","MP9":"721284","MP10":"453810","MP11":"957643","MP12":"638120","MP13":"771312","MP14":"455968","MP15":"805317","MP16":"808796","MP17":"980672"},{"Metabolite":"SUCROSE 8TMS","C1":"26504","C2":"0","C3":"0","C4":"15365","C5":"11377","C6":"0","C7":"1534","C8":"13023","C9":"26360","C10":"5831","M1":"10540","M2":"14784","M3":"53213","M4":"0","M5":"20228","M6":"22946","M7":"53659","M8":"1131","M9":"18091","M10":"0","P1":"16305","P2":"41141","P3":"27221","P4":"5288","P5":"53583","P6":"0","P7":"39619","P8":"0","P9":"28874","P10":"26351","P11":"35658","P12":"70332","P13":"0","P14":"0","P15":"30689","P16":"32554","P17":"11894","P18":"28237","MP1":"127246","MP2":"22107","MP3":"72785","MP4":"47382","MP5":"75332","MP6":"60435","MP7":"65739","MP8":"0","MP9":"10944","MP10":"12915","MP11":"29730","MP12":"31863","MP13":"0","MP14":"7511","MP15":"16451","MP16":"44544","MP17":"35111"},{"Metabolite":"THREONINE,N,O,O-TMS","C1":"635332","C2":"620514","C3":"788937","C4":"929176","C5":"377736","C6":"488108","C7":"451789","C8":"675570","C9":"226985","C10":"408167","M1":"357881","M2":"608109","M3":"465513","M4":"581819","M5":"456086","M6":"705439","M7":"913699","M8":"740759","M9":"677623","M10":"602206","P1":"970660","P2":"413059","P3":"250040","P4":"416679","P5":"413166","P6":"505287","P7":"359222","P8":"197864","P9":"373739","P10":"228411","P11":"509283","P12":"453872","P13":"262941","P14":"524893","P15":"745472","P16":"325561","P17":"411163","P18":"233221","MP1":"384985","MP2":"361908","MP3":"263662","MP4":"561590","MP5":"514726","MP6":"464277","MP7":"235467","MP8":"520455","MP9":"539277","MP10":"304793","MP11":"709714","MP12":"545989","MP13":"494388","MP14":"395100","MP15":"404364","MP16":"335429","MP17":"789332"},{"Metabolite":"TRYPTOPHAN,N,N,O-TMS","C1":"46212","C2":"18014","C3":"24441","C4":"70728","C5":"26786","C6":"23600","C7":"26778","C8":"27727","C9":"10377","C10":"25556","M1":"16425","M2":"20182","M3":"19333","M4":"17031","M5":"9576","M6":"14385","M7":"16571","M8":"19890","M9":"12266","M10":"24503","P1":"31456","P2":"27797","P3":"21715","P4":"17492","P5":"22852","P6":"29503","P7":"24699","P8":"10369","P9":"19247","P10":"13807","P11":"17911","P12":"21142","P13":"14960","P14":"39342","P15":"45092","P16":"30663","P17":"12938","P18":"11381","MP1":"8366","MP2":"12358","MP3":"6471","MP4":"19341","MP5":"17492","MP6":"17889","MP7":"6766","MP8":"17938","MP9":"14815","MP10":"12262","MP11":"24874","MP12":"12084","MP13":"20537","MP14":"16530","MP15":"16119","MP16":"12158","MP17":"20603"},{"Metabolite":"SINAPIC ACID TMS","C1":"227504","C2":"190923","C3":"208032","C4":"224673","C5":"158031","C6":"131953","C7":"172985","C8":"224570","C9":"191811","C10":"112193","M1":"45716","M2":"178237","M3":"128477","M4":"153917","M5":"114854","M6":"151740","M7":"217215","M8":"106247","M9":"183336","M10":"125815","P1":"439673","P2":"305408","P3":"153212","P4":"342460","P5":"291203","P6":"204673","P7":"279544","P8":"126558","P9":"340647","P10":"234103","P11":"263171","P12":"246080","P13":"229197","P14":"181615","P15":"285659","P16":"319431","P17":"237487","P18":"127241","MP1":"325385","MP2":"188224","MP3":"274427","MP4":"232901","MP5":"305009","MP6":"262133","MP7":"147259","MP8":"284966","MP9":"241047","MP10":"220661","MP11":"181139","MP12":"223941","MP13":"155929","MP14":"237844","MP15":"186855","MP16":"213986","MP17":"386886"},{"Metabolite":"UREA-TMS","C1":"39314","C2":"42901","C3":"72584","C4":"39272","C5":"34175","C6":"48191","C7":"46938","C8":"80258","C9":"15695","C10":"52449","M1":"26703","M2":"43921","M3":"42165","M4":"61633","M5":"49127","M6":"42049","M7":"52922","M8":"45592","M9":"24495","M10":"30652","P1":"64249","P2":"69116","P3":"28033","P4":"69246","P5":"27622","P6":"50071","P7":"37198","P8":"62574","P9":"59768","P10":"69887","P11":"47881","P12":"32194","P13":"34676","P14":"40423","P15":"44938","P16":"65112","P17":"52120","P18":"67896","MP1":"53363","MP2":"44138","MP3":"75900","MP4":"49525","MP5":"104086","MP6":"75836","MP7":"57459","MP8":"49456","MP9":"25071","MP10":"46362","MP11":"82902","MP12":"45175","MP13":"83239","MP14":"39487","MP15":"91071","MP16":"58898","MP17":"31222"},{"Metabolite":"URIDINE-4TMS","C1":"17740636","C2":"19576972","C3":"19621070","C4":"19322296","C5":"19053413","C6":"19143775","C7":"17269913","C8":"17646998","C9":"12821122","C10":"15901393","M1":"11501583","M2":"19471574","M3":"18146254","M4":"18496223","M5":"17679844","M6":"19791755","M7":"21858180","M8":"20253136","M9":"17347188","M10":"16781963","P1":"20553819","P2":"21195956","P3":"19660925","P4":"22127355","P5":"19939584","P6":"31105913","P7":"20119989","P8":"18347128","P9":"20388340","P10":"23201927","P11":"19236994","P12":"22077531","P13":"18408694","P14":"25994560","P15":"20891251","P16":"20579699","P17":"21228766","P18":"18403757","MP1":"20659634","MP2":"19103034","MP3":"20824762","MP4":"21639209","MP5":"20987531","MP6":"19659178","MP7":"17874622","MP8":"22272469","MP9":"20887964","MP10":"17118604","MP11":"21224254","MP12":"21160027","MP13":"19268392","MP14":"19168930","MP15":"20391140","MP16":"21796396","MP17":"24872568"},{"Metabolite":"VALINE,N,O-TMS","C1":"292961","C2":"285057","C3":"323496","C4":"446059","C5":"175607","C6":"294648","C7":"215590","C8":"331310","C9":"124802","C10":"184202","M1":"164993","M2":"260244","M3":"221161","M4":"255058","M5":"214633","M6":"397773","M7":"484677","M8":"334241","M9":"333536","M10":"279186","P1":"706481","P2":"212862","P3":"252169","P4":"246464","P5":"239771","P6":"471037","P7":"167517","P8":"108193","P9":"240530","P10":"128712","P11":"300493","P12":"344108","P13":"145023","P14":"542058","P15":"307549","P16":"167892","P17":"309435","P18":"114857","MP1":"288696","MP2":"200127","MP3":"155282","MP4":"369557","MP5":"289096","MP6":"346700","MP7":"105657","MP8":"248506","MP9":"253177","MP10":"145755","MP11":"474810","MP12":"334539","MP13":"200823","MP14":"203439","MP15":"383577","MP16":"175778","MP17":"580553"},{"Metabolite":"XYLITOL 5TMS","C1":"66481","C2":"70172","C3":"96676","C4":"103228","C5":"96599","C6":"29070","C7":"102317","C8":"119237","C9":"80504","C10":"66899","M1":"109076","M2":"130370","M3":"99397","M4":"129576","M5":"46821","M6":"103920","M7":"104555","M8":"88117","M9":"93672","M10":"146019","P1":"111419","P2":"184596","P3":"156045","P4":"214834","P5":"92232","P6":"88012","P7":"117110","P8":"100516","P9":"59572","P10":"141056","P11":"147449","P12":"118161","P13":"67898","P14":"152598","P15":"162969","P16":"81956","P17":"42568","P18":"99103","MP1":"47473","MP2":"121317","MP3":"89516","MP4":"55482","MP5":"96880","MP6":"51255","MP7":"119183","MP8":"112666","MP9":"75883","MP10":"48620","MP11":"83143","MP12":"188714","MP13":"85368","MP14":"144202","MP15":"139439","MP16":"143615","MP17":"201338"},{"Metabolite":"XYLOSE MEOX 4TMS","C1":"95353","C2":"143883","C3":"170541","C4":"105486","C5":"139842","C6":"136313","C7":"98023","C8":"193811","C9":"133695","C10":"75013","M1":"60005","M2":"68502","M3":"78741","M4":"67097","M5":"66618","M6":"84389","M7":"92991","M8":"73942","M9":"45694","M10":"118097","P1":"112900","P2":"175319","P3":"109339","P4":"178121","P5":"106320","P6":"99006","P7":"147267","P8":"75651","P9":"82514","P10":"52558","P11":"183433","P12":"80917","P13":"119893","P14":"72964","P15":"105666","P16":"308345","P17":"55239","P18":"106026","MP1":"112274","MP2":"86125","MP3":"196758","MP4":"88997","MP5":"88498","MP6":"92227","MP7":"68357","MP8":"102514","MP9":"95117","MP10":"151300","MP11":"66992","MP12":"115240","MP13":"93973","MP14":"85538","MP15":"61499","MP16":"162439","MP17":"179739"},{"Metabolite":"XYLULOSE MEOX 4TMS","C1":"43428","C2":"46672","C3":"42061","C4":"49194","C5":"67342","C6":"31395","C7":"93149","C8":"61974","C9":"53011","C10":"45680","M1":"40691","M2":"41724","M3":"51715","M4":"52916","M5":"56760","M6":"79697","M7":"81392","M8":"79204","M9":"43387","M10":"52536","P1":"146099","P2":"86799","P3":"78049","P4":"110541","P5":"100884","P6":"135487","P7":"116236","P8":"88111","P9":"107862","P10":"71996","P11":"108901","P12":"114649","P13":"106001","P14":"89799","P15":"140948","P16":"139575","P17":"72396","P18":"75612","MP1":"79445","MP2":"67775","MP3":"117833","MP4":"112877","MP5":"151768","MP6":"91910","MP7":"72795","MP8":"124937","MP9":"83010","MP10":"81985","MP11":"91432","MP12":"137301","MP13":"130275","MP14":"83673","MP15":"100651","MP16":"122804","MP17":"130081"}],

"Metabolites":[{"Metabolite":"ACONITIC ACID 3TMS","KEGG ID":"C00417","retention index":"1750","quantified m/z":"376"},{"Metabolite":"ADIPIC ACID TMS","KEGG ID":"C00322","retention index":"1507","quantified m/z":"111"},{"Metabolite":"ALLOTHREONINE,N,O,O-TMS","KEGG ID":"C05519","retention index":"1382","quantified m/z":"292"},{"Metabolite":"ARABINOSE MEOX 4TMS","KEGG ID":"C00216","retention index":"1651","quantified m/z":"103"},{"Metabolite":"ASCORBIC ACID 4TMS","KEGG ID":"C00072","retention index":"1948","quantified m/z":"332"},{"Metabolite":"ASPARAGINE,N,N,O-TMS","KEGG ID":"C00152","retention index":"1669","quantified m/z":"116"},{"Metabolite":"CITRIC ACID 4TMS","KEGG ID":"C00158","retention index":"1819","quantified m/z":"466"},{"Metabolite":"DEHYDROASCORBIC ACID DIMER TMS","KEGG ID":"C01041","retention index":"1847","quantified m/z":"318"},{"Metabolite":"FRUCTOSE MEOX 5TMS","KEGG ID":"C00085","retention index":"1881","quantified m/z":"335"},{"Metabolite":"FUMARIC ACID TMS","KEGG ID":"C00122","retention index":"1352","quantified m/z":"248"},{"Metabolite":"GALACTOSE MEOX 5TMS","KEGG ID":"C00124","retention index":"1918","quantified m/z":"319"},{"Metabolite":"GALACTURONIC ACID MEOX 5TMS","KEGG ID":"C00333","retention index":"1948","quantified m/z":"333"},{"Metabolite":"GLUCONIC ACID 6TMS","KEGG ID":"C00257","retention index":"1996","quantified m/z":"333"},{"Metabolite":"GLUCOSE MEOX 5TMS","KEGG ID":"C00031","retention index":"1918","quantified m/z":"172"},{"Metabolite":"GLUCOSE-6-PHOSPHATE MEOX-6TMS","KEGG ID":"C00668","retention index":"2321","quantified m/z":"387"},{"Metabolite":"GLUCURONIC ACID-E-LACTONE MEOX 3TMS","KEGG ID":"C00191","retention index":"1917","quantified m/z":"163"},{"Metabolite":"GLUTAMIC ACID,N,O,O-TMS","KEGG ID":"C00025","retention index":"1619","quantified m/z":"348"},{"Metabolite":"GLUTAMINE,N,N,O-TMS","KEGG ID":"C00064","retention index":"1775","quantified m/z":"156"},{"Metabolite":"GLYCERIC ACID 3TMS","KEGG ID":"C00258","retention index":"1330","quantified m/z":"307"},{"Metabolite":"GLYCINE,N,N,O-TMS","KEGG ID":"C00037","retention index":"1305","quantified m/z":"276"},{"Metabolite":"HEXADECANOIC ACID-TMS","KEGG ID":"C00249","retention index":"2055","quantified m/z":"145"},{"Metabolite":"ISOCITRIC ACID 4TMS","KEGG ID":"C00311","retention index":"1820","quantified m/z":"466"},{"Metabolite":"LEUCINE,N,O-TMS","KEGG ID":"C00123","retention index":"1292","quantified m/z":"159"},{"Metabolite":"LYXOSE MEOX 4TMS","KEGG ID":"C00476","retention index":"1651","quantified m/z":"307"},{"Metabolite":"MALEIC ACID TMS","KEGG ID":"C01384","retention index":"1304","quantified m/z":"246"},{"Metabolite":"MALIC ACID 3TMS","KEGG ID":"C00149","retention index":"1490","quantified m/z":"223"},{"Metabolite":"MALTOTRIOSE MEOX TMS","KEGG ID":"C01835","retention index":"2079","quantified m/z":"363"},{"Metabolite":"MANNITOL 6TMS","KEGG ID":"C00392","retention index":"1918","quantified m/z":"319"},{"Metabolite":"MANNOSE MEOX 5TMS","KEGG ID":"C00096","retention index":"1898","quantified m/z":"189"},{"Metabolite":"OCTADECADIENOIC ACID, 9,-(Z,Z)-TMS","KEGG ID":"C01595","retention index":"2229","quantified m/z":"82"},{"Metabolite":"OCTADECANOIC ACID-TMS","KEGG ID":"C00869","retention index":"2256","quantified m/z":"145"},{"Metabolite":"OCTADECATRIENOIC ACID, 9,,5-(Z,Z,Z)-TMS","KEGG ID":"C06427","retention index":"2228","quantified m/z":"108"},{"Metabolite":"PHENYLALANINE,N,O-TMS","KEGG ID":"C00079","retention index":"1626","quantified m/z":"294"},{"Metabolite":"PHOSPHATE","KEGG ID":"C00009","retention index":"1274","quantified m/z":"301"},{"Metabolite":"PROLINE,N,O-TMS","KEGG ID":"C00148","retention index":"1296","quantified m/z":"216"},{"Metabolite":"RAFFINOSE TMS","KEGG ID":"C00492","retention index":"2465","quantified m/z":"259"},{"Metabolite":"RHAMNOSE MEOX 4TMS","KEGG ID":"C00492","retention index":"1720","quantified m/z":"160"},{"Metabolite":"RIBITOL 5TMS","KEGG ID":"C00474","retention index":"1692","quantified m/z":"157"},{"Metabolite":"RIBOSE MEOX 4TMS","KEGG ID":"C00121","retention index":"1651","quantified m/z":"307"},{"Metabolite":"SACCHARIC ACID 6TMS","KEGG ID":"C00818","retention index":"2011","quantified m/z":"333"},{"Metabolite":"SALICIN-5TMS","KEGG ID":"C01451","retention index":"2495","quantified m/z":"231"},{"Metabolite":"scyllo-INOSITOL 6TMS","KEGG ID":"C06153","retention index":"2092","quantified m/z":"306"},{"Metabolite":"SERINE,N,O,O-TMS","KEGG ID":"C00065","retention index":"1359","quantified m/z":"308"},{"Metabolite":"SORBITOL 6TMS","KEGG ID":"C00794","retention index":"1919","quantified m/z":"320"},{"Metabolite":"SORBITOL-6-PHOSPHATE-7TMS","KEGG ID":"C01096","retention index":"2308","quantified m/z":"315"},{"Metabolite":"SORBOSE MEOX 5TMS","KEGG ID":"C00247","retention index":"1871","quantified m/z":"309"},{"Metabolite":"SUCCINIC ACID TMS","KEGG ID":"C00042","retention index":"1315","quantified m/z":"249"},{"Metabolite":"SUCROSE 8TMS","KEGG ID":"C00089","retention index":"2594","quantified m/z":"131"},{"Metabolite":"THREONINE,N,O,O-TMS","KEGG ID":"C00188","retention index":"1382","quantified m/z":"293"},{"Metabolite":"TRYPTOPHAN,N,N,O-TMS","KEGG ID":"C00078","retention index":"2220","quantified m/z":"202"},{"Metabolite":"SINAPIC ACID TMS","KEGG ID":"C00482","retention index":"2252","quantified m/z":"369"},{"Metabolite":"UREA-TMS","KEGG ID":"C00086","retention index":"1262","quantified m/z":"171"},{"Metabolite":"URIDINE-4TMS","KEGG ID":"C00299","retention index":"2464","quantified m/z":"135"},{"Metabolite":"VALINE,N,O-TMS","KEGG ID":"C00183","retention index":"1220","quantified m/z":"218"},{"Metabolite":"XYLITOL 5TMS","KEGG ID":"C00379","retention index":"1692","quantified m/z":"157"},{"Metabolite":"XYLOSE MEOX 4TMS","KEGG ID":"C00181","retention index":"1651","quantified m/z":"103"},{"Metabolite":"XYLULOSE MEOX 4TMS","KEGG ID":"C00310","retention index":"1672","quantified m/z":"263"}]
}

}