{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001071","ANALYSIS_ID":"AN001753","VERSION":"1","CREATED_ON":"October 10, 2018, 1:44 pm"},

"PROJECT":{"PROJECT_TITLE":"Guinea Grass elevated CO2 and warming Project","PROJECT_TYPE":"Elevated temperature and CO2 treatment","PROJECT_SUMMARY":"Experiment to test the response of Panicum maximum Jacq.(Guinea Grass) to elevated temperature (+2C) and CO2 (600ppm) or combination at University of Sao Paulo in Ribeirao Preto, Sao Paulo Brazil. Each plot was 2-m in diameter; [CO2] was controlled using Free Air CO2 Enrichment and canopy warming was provided by infrared ceramic heaters as described by Britto de Assis Prado et al. (2016).Samples for untargeted metabolomics (with GC-MS), de novo transcriptomics, and RNASeq, were taken 30 and 50 days post treatment exposure (May 22, 2014 and July 14, 2014). Lyophilized leaf material was sent to the University of Illinois Urbana-Champaign(Ainsworth lab) for the untargeted metabolomics, transcript assembly and RNASeq.","INSTITUTE":"Univeristy of Sao Paulo","DEPARTMENT":"Department of Biology-FFCLRP","LABORATORY":"Martinez","LAST_NAME":"Martinez","FIRST_NAME":"Carlos Alberto","ADDRESS":"Ribeirao Preto, SP, Brazil","EMAIL":"carlosamh@ffclrp.usp.br","PHONE":"+55 16 3315 3648","FUNDING_SOURCE":"FAPESP- Research Program on Global Climate Change (Grant 2008/58075-8) - CNPq/ANA/MCTI (Grant 446357/2015-4)","PUBLICATIONS":"Leaf Dynamics of Panicum maximum under future climate changes-https://doi.org/10.1371/journal.pone.0149620","CONTRIBUTORS":"Jessica M. Wedow, Craig R. Yendrek, Tathyana R. Mello, Silvana Creste, Carlos A. Martinez, Elizabeth A. Ainsworth"},

"STUDY":{"STUDY_TITLE":"Guinea Grass Untargeted Metabolomic Profiling","STUDY_TYPE":"Treatment comparison","STUDY_SUMMARY":"Treatment comparison of Guinea grass planted at University of Sao Paulo Brazil 4 Ambient temp and CO2 plots, 4 elevated CO2 (600 ppm) plots, 4 elevated Temp plots (+2C),4 elevated CO2 and Temp plots. Untargeted metabolomics(GC-MS),de novo transcriptomics, and RNAseq taken at 30(A)(2014-05-22) and 50(B)(2014-07-14)days post treatment exposure. Dried leaf material sent to Uni Illinois-UC. GC-MS protocol followed as stated in Ulanov et al. (2010) J of Plant Phys.","INSTITUTE":"University of Illinois at Urbana-Champaign (UIUC)","DEPARTMENT":"Plant Biology","LABORATORY":"Ainsworth USDA ARS Global Change and Photosynthesis Research Unit","LAST_NAME":"Ainsworth","FIRST_NAME":"Elizabeth (Lisa)","ADDRESS":"1201 W Gregory Dr, Urbana, IL 61801","EMAIL":"lisa.ainsworth@ars.usda.gov","PHONE":"217-265-9887","NUM_GROUPS":"4","TOTAL_SUBJECTS":"32 (+ 4 techincal replicates)"},

"SUBJECT":{"SUBJECT_TYPE":"Plant","SUBJECT_SPECIES":"Panicum maximum(Megathyrsis maximus (Jacq.))","TAXONOMY_ID":"59788"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"eCeT_R1_T1",
"Factors":{"Treatment":"elevated temperature + elevated [CO2]","Ring":"1","Time Point (days)":"30"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"eCeT_R1_T2",
"Factors":{"Treatment":"elevated temperature + elevated [CO2]","Ring":"1","Time Point (days)":"50"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"eCeT_R2_T1",
"Factors":{"Treatment":"elevated temperature + elevated [CO2]","Ring":"2","Time Point (days)":"30"},
"Additional sample data":{"Technical Replicate":"1"}
},
{
"Subject ID":"-",
"Sample ID":"eCeT_R2_T2",
"Factors":{"Treatment":"elevated temperature + elevated [CO2]","Ring":"2","Time Point (days)":"50"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"eCeT_R3_T1",
"Factors":{"Treatment":"elevated temperature + elevated [CO2]","Ring":"3","Time Point (days)":"30"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"eCeT_R3_T2",
"Factors":{"Treatment":"elevated temperature + elevated [CO2]","Ring":"3","Time Point (days)":"50"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"eCeT_R4_T1",
"Factors":{"Treatment":"elevated temperature + elevated [CO2]","Ring":"4","Time Point (days)":"30"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"eCeT_R4_T2",
"Factors":{"Treatment":"elevated temperature + elevated [CO2]","Ring":"4","Time Point (days)":"50"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"Amb_R1_T1",
"Factors":{"Treatment":"Control- ambient temperature and ambient [CO2]","Ring":"1","Time Point (days)":"30"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"Amb_R1_T2",
"Factors":{"Treatment":"Control- ambient temperature and ambient [CO2]","Ring":"1","Time Point (days)":"50"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"Amb_R2_T1",
"Factors":{"Treatment":"Control- ambient temperature and ambient [CO2]","Ring":"2","Time Point (days)":"30"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"Amb_R2_T2",
"Factors":{"Treatment":"Control- ambient temperature and ambient [CO2]","Ring":"2","Time Point (days)":"50"},
"Additional sample data":{"Technical Replicate":"1"}
},
{
"Subject ID":"-",
"Sample ID":"Amb_R3_T1",
"Factors":{"Treatment":"Control- ambient temperature and ambient [CO2]","Ring":"3","Time Point (days)":"30"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"Amb_R3_T2",
"Factors":{"Treatment":"Control- ambient temperature and ambient [CO2]","Ring":"3","Time Point (days)":"50"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"Amb_R4_T1",
"Factors":{"Treatment":"Control- ambient temperature and ambient [CO2]","Ring":"4","Time Point (days)":"30"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"Amb_R4_T2",
"Factors":{"Treatment":"Control- ambient temperature and ambient [CO2]","Ring":"4","Time Point (days)":"50"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"T_R1_T1",
"Factors":{"Treatment":"elevated temperature + ambient [CO2]","Ring":"1","Time Point (days)":"30"},
"Additional sample data":{"Technical Replicate":"1"}
},
{
"Subject ID":"-",
"Sample ID":"T_R1_T2",
"Factors":{"Treatment":"elevated temperature + ambient [CO2]","Ring":"1","Time Point (days)":"50"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"T_R2_T1",
"Factors":{"Treatment":"elevated temperature + ambient [CO2]","Ring":"2","Time Point (days)":"30"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"T_R2_T2",
"Factors":{"Treatment":"elevated temperature + ambient [CO2]","Ring":"2","Time Point (days)":"50"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"T_R3_T1",
"Factors":{"Treatment":"elevated temperature + ambient [CO2]","Ring":"3","Time Point (days)":"30"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"T_R3_T2",
"Factors":{"Treatment":"elevated temperature + ambient [CO2]","Ring":"3","Time Point (days)":"50"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"T_R4_T1",
"Factors":{"Treatment":"elevated temperature + ambient [CO2]","Ring":"4","Time Point (days)":"30"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"T_R4_T2",
"Factors":{"Treatment":"elevated temperature + ambient [CO2]","Ring":"4","Time Point (days)":"50"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"eC_R1_T1",
"Factors":{"Treatment":"elevated [CO2] + ambient temperature","Ring":"1","Time Point (days)":"30"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"eC_R1_T2",
"Factors":{"Treatment":"elevated [CO2] + ambient temperature","Ring":"1","Time Point (days)":"50"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"eC_R2_T1",
"Factors":{"Treatment":"elevated [CO2] + ambient temperature","Ring":"2","Time Point (days)":"30"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"eC_R2_T2",
"Factors":{"Treatment":"elevated [CO2] + ambient temperature","Ring":"2","Time Point (days)":"50"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"eC_R3_T1",
"Factors":{"Treatment":"elevated [CO2] + ambient temperature","Ring":"3","Time Point (days)":"30"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"eC_R3_T2",
"Factors":{"Treatment":"elevated [CO2] + ambient temperature","Ring":"3","Time Point (days)":"50"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"eC_R4_T1",
"Factors":{"Treatment":"elevated [CO2] + ambient temperature","Ring":"4","Time Point (days)":"30"},
"Additional sample data":{"Technical Replicate":"-"}
},
{
"Subject ID":"-",
"Sample ID":"eC_R4_T2",
"Factors":{"Treatment":"elevated [CO2] + ambient temperature","Ring":"4","Time Point (days)":"50"},
"Additional sample data":{"Technical Replicate":"1"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Leaf material dried and processed as stated Ulanov et al. (2010) J of Plant Phys","SAMPLE_TYPE":"Plant","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Ambient(Amb) : Control plots with ambient [CO2] and ambient temperature elvTemp(T): elevated temperature plots (+2C) and ambient [CO2] elvCO2(eC): elevated [CO2] plots (600ppm) and ambient temperature elvTemp+elvCO2(eCeT): elevated temperature (+2C) and elevated [CO2] (600ppm). Time Point A(2014-05-22) and Time Point B(2014-07-14)","TREATMENT_PROTOCOL_COMMENTS":"Time Point A(2014-05-22) and Time Point B(2014-07-14)","TREATMENT":"elevated [CO2] and/or elevated temperature","TREATMENT_DOSEDURATION":"30 days and 50days","PLANT_GROWTH_LOCATION":"MiniFACE facility at University of São Paul in Ribeirão Preto, São Paulo Brazil","PLANT_PLOT_DESIGN":"Complete replicated design (n=4)","PLANT_LIGHT_PERIOD":"ambient","PLANT_HARVEST_DATE":"2014-05-22","PLANT_METAB_QUENCH_METHOD":"Immersion in liquid N2 within 1 min of harvest","PLANT_HARVEST_METHOD":"Youngest fully expanded leaves was cut (PO:0001053), placed in foil, quenched in LN2","PLANT_STORAGE":"-80 C, then lyophilized and ground, shipped on dry ice to University of Illinois at Urbana-Champagin were stored in 20 C in falcon tubes"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Room temp Methanol extration: 10-20 mg leaf material, extracted with 1.5 mL MeOH for 15 min at RT followed by another extraction with 1.4 mL H2O at RT. 1 mL of extraction dried under vacuum. 5 uL internal standard added to each sample. 1uL aliquot per sample","SAMPLEPREP_PROTOCOL_COMMENTS":"As described in Ulanov, A. & J. M. Widholm (2010) Metabolic profiling to determine the cause of the increased triphenyltetrazolium chloride reduction in mannitol-treated maize callus. Journal of Plant Physiology, 167, 1423-1431.","PROCESSING_METHOD":"Homogenization and Solvent removal with speed vac","PROCESSING_STORAGE_CONDITIONS":"Room temperature","EXTRACTION_METHOD":"1:1 MeOH/H20","EXTRACT_STORAGE":"-80℃","SAMPLE_SPIKING":"Internal Standard (hentriacontanoic acid 5 uL)"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Agilent 7890A","COLUMN_NAME":"Phenomenea ZB-5MS (60m x 0.32 mmI.D. and 0.25mm film thickness)","FLOW_RATE":"2.4ml/min","COLUMN_PRESSURE":"19.223 psi","INJECTION_TEMPERATURE":"250C","INTERNAL_STANDARD":"C31:0 fatty acid (hentriacontanoate)","SAMPLE_INJECTION":"split (5:1), 1ul","ANALYTICAL_TIME":"65 min","OVEN_TEMPERATURE":"70C - 310C","RUNNING_VOLTAGE":"1094 emvolts","TRANSFERLINE_TEMPERATURE":"250","STRONG_WASH_SOLVENT_NAME":"pyridine","STRONG_WASH_VOLUME":"10ul","SAMPLE_SYRINGE_SIZE":"10ul"},

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

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 5975C","INSTRUMENT_TYPE":"Single quadrupole","MS_TYPE":"EI","ION_MODE":"POSITIVE","HELIUM_FLOW":"2.4","ION_SOURCE_TEMPERATURE":"230","IONIZATION_ENERGY":"69.9","MASS_ACCURACY":"low","SCAN_RANGE_MOVERZ":"50-800","SCANNING_CYCLE":"4"},

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

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acid","Formula":"C15H30O2","Mass":"242.2246","REGNO":"37"},{"Metabolite":"Phenylalanine","refmet_name":"Phenylalanine","Formula":"C9H11NO2","Mass":"165.079","REGNO":"37108"},{"Metabolite":"phosphoric acid","refmet_name":"Phosphoric acid","Formula":"PH3O4","Mass":"97.9769","REGNO":"49812"},{"Metabolite":"Phytol","refmet_name":"Phytol","Formula":"C20H40O","Mass":"296.3079","REGNO":"28460"},{"Metabolite":"PIPECOLIC ACID","refmet_name":"Pipecolic acid","Formula":"C6H11NO2","Mass":"129.079","REGNO":"37384"},{"Metabolite":"PROPAN-1,2-DIOL","refmet_name":"","Formula":"","Mass":"","REGNO":""},{"Metabolite":"Propanoic acid, 2-oxo-3-hydroxy","refmet_name":"","Formula":"","Mass":"","REGNO":""},{"Metabolite":"Protocatechuic acid","refmet_name":"Protocatechuic acid","Formula":"C7H6O4","Mass":"154.0266","REGNO":"37892"},{"Metabolite":"Putrescine","refmet_name":"Putrescine","Formula":"C4H12N2","Mass":"88.1","REGNO":"37784"},{"Metabolite":"pyroglutamic acid","refmet_name":"Pyroglutamic 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acid-glucopyranoside","refmet_name":"","Formula":"","Mass":"","REGNO":""},{"Metabolite":"Sedoheptulose","refmet_name":"Glucoheptulose","Formula":"C7H14O7","Mass":"210.074","REGNO":"50653"},{"Metabolite":"Serine","refmet_name":"Serine","Formula":"C3H7NO3","Mass":"105.0426","REGNO":"37123"},{"Metabolite":"shikimic acid","refmet_name":"Shikimic acid","Formula":"C7H10O5","Mass":"174.0528","REGNO":"38244"},{"Metabolite":"Sinapic acid","refmet_name":"Sinapic acid","Formula":"C11H12O5","Mass":"224.0685","REGNO":"45655"},{"Metabolite":"Stigmasterol","refmet_name":"Stigmasterol","Formula":"C29H48O","Mass":"412.3705","REGNO":"34941"},{"Metabolite":"Succinic acid","refmet_name":"Succinic acid","Formula":"C4H6O4","Mass":"118.0266","REGNO":"1966"},{"Metabolite":"sucrose","refmet_name":"Sucrose","Formula":"C12H22O11","Mass":"342.1162","REGNO":"37166"},{"Metabolite":"syringic acid","refmet_name":"Syringic acid","Formula":"C9H10O5","Mass":"198.052823","REGNO":"38012"},{"Metabolite":"Tetracosanoic 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acid","Formula":"C8H8O4","Mass":"168.0423","REGNO":"37271"},{"Metabolite":"vanillin","refmet_name":"Vanillin","Formula":"C8H8O3","Mass":"152.0473","REGNO":"41989"},{"Metabolite":"Xylitol","refmet_name":"Xylitol","Formula":"C5H12O5","Mass":"152.0685","REGNO":"38221"},{"Metabolite":"XYLONIC ACID LACTONE","refmet_name":"","Formula":"","Mass":"","REGNO":""},{"Metabolite":"Xylopyranoside","refmet_name":"","Formula":"","Mass":"","REGNO":""},{"Metabolite":"Xylose","refmet_name":"Xylose","Formula":"C5H10O5","Mass":"150.0528","REGNO":"37074"}]
}

}