{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001316","ANALYSIS_ID":"AN002191","VERSION":"1","CREATED_ON":"February 10, 2020, 12:28 pm"},

"PROJECT":{"PROJECT_TITLE":"Carbon Partitioning Metabolomic Studies","PROJECT_TYPE":"MS Qualitative Analysis","PROJECT_SUMMARY":"Qualitative metabolomic studies in response to very-low CO2 and high CO2 in Microchloropsis gaditana","INSTITUTE":"International Centre for Genetic Engineering and Biotechnology","DEPARTMENT":"Integrative Biology","LABORATORY":"Omics of Algae","LAST_NAME":"Jutur","FIRST_NAME":"Pannaga Pavan","ADDRESS":"2nd Floor, New Building, ICGEB, Aruna Asaf Ali Marg, New Delhi - 110067","EMAIL":"jppavan@icgeb.res.in","PHONE":"+91 11 26741358","PROJECT_COMMENTS":"http://www.icgeb.res.in/"},

"STUDY":{"STUDY_TITLE":"Time-course experiment of Microchloropsis gaditana cells supplemented with CO2","STUDY_TYPE":"Time-course experiment","STUDY_SUMMARY":"Experiments were conducted with Microchloropsis gaditana supplemented with very-low CO2 and high CO2. Sampling was done on the following time points: Day 3, 6 and 9.","INSTITUTE":"International Centre for Genetic Engineering and Biotechnology","DEPARTMENT":"Integrative Biology","LABORATORY":"Omics of Algae","LAST_NAME":"Jutur","FIRST_NAME":"Pannaga Pavan","ADDRESS":"2nd Floor, New Building, ICGEB, Aruna Asaf Ali Marg, New Delhi - 110067","EMAIL":"jppavan@icgeb.res.in","PHONE":"+91 11 26741358","STUDY_COMMENTS":"Former name of species: Nannochloropsis gaditana Lubián"},

"SUBJECT":{"SUBJECT_TYPE":"Plant","SUBJECT_SPECIES":"Nannochloropsis gaditana","TAXONOMY_ID":"72520","GENOTYPE_STRAIN":"NIES 2587"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"CO2 Suppl (VLC)",
"Sample ID":"VLC_3",
"Factors":{"Condition":"Control"},
"Additional sample data":{"CO2 Concentration (ppm)":"300","Sample Collection (in Days)":"3","RAW_FILE_NAME":"VLC-Day-3.mzData.xml"}
},
{
"Subject ID":"CO2 Suppl (VLC)",
"Sample ID":"VLC_6",
"Factors":{"Condition":"Control"},
"Additional sample data":{"CO2 Concentration (ppm)":"300","Sample Collection (in Days)":"6","RAW_FILE_NAME":"VLC-Day-6.mzData.xml"}
},
{
"Subject ID":"CO2 Suppl (VLC)",
"Sample ID":"VLC_9",
"Factors":{"Condition":"Control"},
"Additional sample data":{"CO2 Concentration (ppm)":"300","Sample Collection (in Days)":"9","RAW_FILE_NAME":"VLC-Day-9.mzData.xml"}
},
{
"Subject ID":"CO2 Suppl (HC)",
"Sample ID":"HC_3",
"Factors":{"Condition":"Treatment"},
"Additional sample data":{"CO2 Concentration (ppm)":"30000","Sample Collection (in Days)":"3","RAW_FILE_NAME":"HC-Day-3.mzData.xml"}
},
{
"Subject ID":"CO2 Suppl (HC)",
"Sample ID":"HC_6",
"Factors":{"Condition":"Treatment"},
"Additional sample data":{"CO2 Concentration (ppm)":"30000","Sample Collection (in Days)":"6","RAW_FILE_NAME":"HC-Day-6.mzData.xml"}
},
{
"Subject ID":"CO2 Suppl (HC)",
"Sample ID":"HC_9",
"Factors":{"Condition":"Treatment"},
"Additional sample data":{"CO2 Concentration (ppm)":"30000","Sample Collection (in Days)":"9","RAW_FILE_NAME":"HC-Day-9.mzData.xml"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Marine microalgae Microchloropsis gaditana NIES 2587 is procured from Microbial Culture Collection, National Institute for Environmental Studies (NIES), Tsukuba, Japan. The strain was grown in minimal medium F/2 (Guillard and Ryther, 1962) under a light regime of 16:8 h and an illumination of 150 µmol m−2 s−1 photosynthetically active radiation (PAR) in a multi-cultivator MC 1000-OD (Photon Systems Instruments, Czech Republic) with a flow rate of 800 mL min-1 with continuous bubbling of air at 24 °C.","SAMPLE_TYPE":"Algae"},

"TREATMENT":{"TREATMENT_SUMMARY":"Microchloropsis gaditana cells were grown in a Multicultivator in the presence of very-low CO2 (300 ppm) and high CO2 (30,000 ppm) for 9 days with an illumination intensity of 150 uE.","TREATMENT_COMPOUND":"CO2"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Quenched cells were resuspended in 1 mL of ice-cold methanol/ethanol/chloroform(2:6:2), followed by sonication of resuspended cells in sonication bath for 15 min. Later, these samples were centrifuged at 10,000×g for 15 min at 4 °C to get rid of cell debris. The supernatant was filtered using a 0.2-µm filter. One hundred microlitres of supernatant was taken and dried under nitrogen stream. The dried leftover was dissolved in 10 µL of freshly prepared methoxyamine hydrochloride solution (40 mg mL−1 in pyridine) and incubated at 30 °C for 90 min with shaking. To the above solution, 90 µL of N-methyl-N-(trimethylsilyl)trifluoroacetamide was added and incubated at 37 °C for 30 min. The samples were centrifuged at 14,000×g for 3 min, and the supernatant was taken for the GC-MS/MS analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"GC-triple quadrupole analysis was performed on an HP-5 gas chromatograph with standard liners containing glass wool in split mode (1:5) at 250°C injector temperature. The GC was operated at constant flow of 1 ml/min helium on a 30-m, 0.25-mm i.d., 0.25-μm HP-5 column, a start temperature of 60°C, 3 min isothermal, temperature ramping by 5°C/min to 180°C, 3 min isothermal and finally temperature ramping of 10°C/min to 310°C.","CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Agilent 7890A","COLUMN_NAME":"Agilent HP5-MS (30m x 0.25mm, 0.25 um)"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 7890A","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"NA"},

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

"Data":[{"Metabolite":"L-Alanine","VLC_3":"2753288","VLC_6":"20836730","VLC_9":"3351986","HC_3":"85724174","HC_6":"72809832","HC_9":"73916376"},{"Metabolite":"L-Valine","VLC_3":"568745.84","VLC_6":"754206.44","VLC_9":"123640.4","HC_3":"610783.576","HC_6":"902574.92","HC_9":"1013851.28"},{"Metabolite":"L-Leucine","VLC_3":"92730.3","VLC_6":"62809.3232","VLC_9":"1186947.84","HC_3":"25307981","HC_6":"25714165","HC_9":"1052921.646"},{"Metabolite":"L-Proline","VLC_3":"17650266","VLC_6":"45604945","VLC_9":"1020033.3","HC_3":"1135018.872","HC_6":"1205246.619","HC_9":"1144366.086"},{"Metabolite":"Glycine","VLC_3":"2472808","VLC_6":"709695.896","VLC_9":"650348.504","HC_3":"779923.6432","HC_6":"867955.608","HC_9":"4371179"},{"Metabolite":"D-Glucose","VLC_3":"1202279.25","VLC_6":"3514207","VLC_9":"111205185","HC_3":"3924068","HC_6":"1018965.047","HC_9":"9781138"},{"Metabolite":"D-Fructose","VLC_3":"30997537","VLC_6":"28132817","VLC_9":"56812249","HC_3":"215134.296","HC_6":"132319.9561","HC_9":"107839.1569"},{"Metabolite":"D-Galactose","VLC_3":"57056472","VLC_6":"60350550","VLC_9":"63585768","HC_3":"27030895","HC_6":"5319005","HC_9":"3057564"},{"Metabolite":"D-Mannose","VLC_3":"25333.91796","VLC_6":"45625.78041","VLC_9":"62809.3232","HC_3":"30662.8192","HC_6":"38081.2432","HC_9":"36350.2776"},{"Metabolite":"Sucrose","VLC_3":"80065419","VLC_6":"1211675.92","VLC_9":"1038579.36","HC_3":"66553003","HC_6":"125317542","HC_9":"13672418"},{"Metabolite":"Maltose","VLC_3":"1041546.73","VLC_6":"1115236.408","VLC_9":"3047268","HC_3":"59347.392","HC_6":"53165.372","HC_9":"47972.4752"},{"Metabolite":"Acetate","VLC_3":"1204257.496","VLC_6":"98170298","VLC_9":"165544698","HC_3":"32311815","HC_6":"1232496.963","HC_9":"216675899"},{"Metabolite":"Succinate","VLC_3":"64243.55184","VLC_6":"168150.944","VLC_9":"127695.8051","HC_3":"868746.9066","HC_6":"913455.2752","HC_9":"997827.4842"},{"Metabolite":"Benzoic acid","VLC_3":"30786.4596","VLC_6":"62067.4808","VLC_9":"90480.04472","HC_3":"52918.0912","HC_6":"53264.28432","HC_9":"30415.5384"},{"Metabolite":"D-Lactic acid","VLC_3":"10331676","VLC_6":"29113949","VLC_9":"980468.372","HC_3":"7140861","HC_6":"786352.944","HC_9":"994316.0968"},{"Metabolite":"Hydroxybutyric acid","VLC_3":"531653.72","VLC_6":"6341295","VLC_9":"7276647","HC_3":"79129.856","HC_6":"98417.7584","HC_9":"123937.137"},{"Metabolite":"Glycerol","VLC_3":"37745171","VLC_6":"48245716","VLC_9":"27783976","HC_3":"12689675","HC_6":"15619799","HC_9":"8932030"},{"Metabolite":"Thiourea","VLC_3":"49827.0812","VLC_6":"74480.97696","VLC_9":"99431.60968","HC_3":"30910.1","HC_6":"38130.69936","HC_9":"54154.4952"},{"Metabolite":"GABA","VLC_3":"17661471","VLC_6":"19692658","VLC_9":"17465268","HC_3":"709695.896","HC_6":"736896.784","HC_9":"902574.92"},{"Metabolite":"Sorbitol","VLC_3":"2982958","VLC_6":"4496696","VLC_9":"8828040","HC_3":"1008411.102","HC_6":"1157274.144","HC_9":"82878118"},{"Metabolite":"Dibenzoxepine","VLC_3":"8973832","VLC_6":"8354680","VLC_9":"7868691","HC_3":"14193863","HC_6":"6678232","HC_9":"6502793"},{"Metabolite":"Prenol phosphate","VLC_3":"3907612","VLC_6":"4000782","VLC_9":"3896655","HC_3":"8967792","HC_6":"4381828","HC_9":"4371179"},{"Metabolite":"Palmitic acid","VLC_3":"10859096","VLC_6":"16000365","VLC_9":"21745223","HC_3":"14252690","HC_6":"25733786","HC_9":"24358051"},{"Metabolite":"ALA","VLC_3":"75525799","VLC_6":"54381397","VLC_9":"80618719","HC_3":"37252300","HC_6":"18005594","HC_9":"3700141"},{"Metabolite":"Stearic acid","VLC_3":"1199311.88","VLC_6":"65752031","VLC_9":"4673910","HC_3":"23549913","HC_6":"79645672","HC_9":"76203622"},{"Metabolite":"Phytol","VLC_3":"10832355","VLC_6":"15859577","VLC_9":"15413254","HC_3":"17839275","HC_6":"3739047","HC_9":"5781216"},{"Metabolite":"D-Trehalose","VLC_3":"736896.784","VLC_6":"956976.696","VLC_9":"22834321","HC_3":"98417.7584","HC_6":"3743880","HC_9":"6462489"},{"Metabolite":"Ergostene","VLC_3":"168150.944","VLC_6":"234916.76","VLC_9":"628093.232","HC_3":"1053416.208","HC_6":"29889756","HC_9":"19040482"},{"Metabolite":"Ethanolamine","VLC_3":"13839769","VLC_6":"15097673","VLC_9":"9469512","HC_3":"816026.64","HC_6":"926066.596","HC_9":"903564.0432"},{"Metabolite":"L-Threonine","VLC_3":"4178041","VLC_6":"1150350.282","VLC_9":"1013851.28","HC_3":"1006111.391","HC_6":"1068253.056","HC_9":"1152007.063"},{"Metabolite":"Myo-inositol","VLC_3":"9468261","VLC_6":"28337395","VLC_9":"17974911","HC_3":"744933.41","HC_6":"2670151","HC_9":"5714209"},{"Metabolite":"Hexadecanedioic acid","VLC_3":"21698314","VLC_6":"310090.1232","VLC_9":"227545.3194","HC_3":"655294.12","HC_6":"764963.1548","HC_9":"862762.7112"},{"Metabolite":"Alpha-tocopherol","VLC_3":"48961.5984","VLC_6":"61820.2","VLC_9":"94461.2656","HC_3":"662712.544","HC_6":"1192783.667","HC_9":"6223374"},{"Metabolite":"Oxalic acid","VLC_3":"803662.6","VLC_6":"890210.88","VLC_9":"1026957.162","HC_3":"3499921","HC_6":"717114.32","HC_9":"681505.8848"},{"Metabolite":"Docosanoic acid","VLC_3":"160732.52","VLC_6":"185460.6","VLC_9":"210683.2416","HC_3":"15902906","HC_6":"764097.672","HC_9":"1043277.695"},{"Metabolite":"Dihydroquinazoline","VLC_3":"1018796.896","VLC_6":"1140459.05","VLC_9":"12401720","HC_3":"236400.4448","HC_6":"801189.792","HC_9":"5138048"},{"Metabolite":"Glyceryl glucoside","VLC_3":"863751.8344","VLC_6":"970666.1611","VLC_9":"1068994.898","HC_3":"1093228.417","HC_6":"1152081.247","HC_9":"9898937"},{"Metabolite":"Arachidic acid","VLC_3":"150841.288","VLC_6":"206798.4602","VLC_9":"231949.3904","HC_3":"2984397","HC_6":"1038579.36","HC_9":"1078391.569"},{"Metabolite":"Propionic acid","VLC_3":"63798.4464","VLC_6":"186029.3458","VLC_9":"213972.0762","HC_3":"1069880.164","HC_6":"2561840","HC_9":"36823272"},{"Metabolite":"Linoleic acid","VLC_3":"206776.205","VLC_6":"230836.6268","VLC_9":"509398.448","HC_3":"12016035","HC_6":"973297.2288","HC_9":"1177647.609"}],

"Metabolites":[{"Metabolite":"L-Alanine","HMDB ID":"HMDB0000161","PubChem ID":"5950","KEGG ID":"C00041"},{"Metabolite":"L-Valine","HMDB ID":"HMDB0000883","PubChem ID":"6287","KEGG ID":"C00183"},{"Metabolite":"L-Leucine","HMDB ID":"HMDB0000687","PubChem ID":"6106","KEGG ID":"C00123"},{"Metabolite":"L-Proline","HMDB ID":"HMDB0000162","PubChem ID":"145742","KEGG ID":"C00148"},{"Metabolite":"Glycine","HMDB ID":"HMDB0000123","PubChem ID":"750","KEGG ID":"C00037"},{"Metabolite":"D-Glucose","HMDB ID":"HMDB0000122","PubChem ID":"5793","KEGG ID":"C00031"},{"Metabolite":"D-Fructose","HMDB ID":"HMDB0000660","PubChem ID":"439709","KEGG ID":"C02336"},{"Metabolite":"D-Galactose","HMDB ID":"HMDB0000143","PubChem ID":"439357","KEGG ID":"C00984"},{"Metabolite":"D-Mannose","HMDB ID":"HMDB0000169","PubChem ID":"18950","KEGG ID":"C00159"},{"Metabolite":"Sucrose","HMDB ID":"HMDB0000258","PubChem ID":"5988","KEGG ID":"C00089"},{"Metabolite":"Maltose","HMDB ID":"HMDB0000163","PubChem ID":"10991489","KEGG ID":"C00208"},{"Metabolite":"Acetate","HMDB ID":"HMDB0000042","PubChem ID":"176","KEGG ID":"C00033"},{"Metabolite":"Succinate","HMDB ID":"HMDB0000254","PubChem ID":"1110","KEGG ID":"C00042"},{"Metabolite":"Benzoic acid","HMDB ID":"HMDB0001870","PubChem ID":"243","KEGG ID":"C00180"},{"Metabolite":"D-Lactic acid","HMDB ID":"HMDB0001311","PubChem ID":"61503","KEGG ID":"C00256"},{"Metabolite":"Hydroxybutyric acid","HMDB ID":"HMDB0000710","PubChem ID":"10413","KEGG ID":"C00989"},{"Metabolite":"Glycerol","HMDB ID":"HMDB0000131","PubChem ID":"753","KEGG ID":"C00116"},{"Metabolite":"Thiourea","HMDB ID":"HMDB0034155","PubChem ID":"2723790","KEGG ID":"C14415"},{"Metabolite":"GABA","HMDB ID":"HMDB0000112","PubChem ID":"119","KEGG ID":"C00334"},{"Metabolite":"Sorbitol","HMDB ID":"HMDB0000247","PubChem ID":"5780","KEGG ID":"C00794"},{"Metabolite":"Dibenzoxepine","HMDB ID":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Prenol phosphate","HMDB ID":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Palmitic acid","HMDB ID":"HMDB0000220","PubChem ID":"985","KEGG ID":"C00249"},{"Metabolite":"ALA","HMDB ID":"HMDB0000161","PubChem ID":"5950","KEGG ID":"C00041"},{"Metabolite":"Stearic acid","HMDB ID":"HMDB0000827","PubChem ID":"5281","KEGG ID":"C01530"},{"Metabolite":"Phytol","HMDB ID":"HMDB0002019","PubChem ID":"5280435","KEGG ID":"C01389"},{"Metabolite":"D-Trehalose","HMDB ID":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Ergostene","HMDB ID":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Ethanolamine","HMDB ID":"HMDB0000149","PubChem ID":"700","KEGG ID":"C00189"},{"Metabolite":"L-Threonine","HMDB ID":"HMDB0000167","PubChem ID":"6288","KEGG ID":"C00188"},{"Metabolite":"Myo-inositol","HMDB ID":"HMDB0000211","PubChem ID":"","KEGG ID":"C00137"},{"Metabolite":"Hexadecanedioic acid","HMDB ID":"HMDB0000672","PubChem ID":"10459","KEGG ID":"C19615"},{"Metabolite":"Alpha-tocopherol","HMDB ID":"HMDB0001893","PubChem ID":"14985","KEGG ID":"C02477"},{"Metabolite":"Oxalic acid","HMDB ID":"HMDB0002329","PubChem ID":"971","KEGG ID":"C00209"},{"Metabolite":"Docosanoic acid","HMDB ID":"HMDB0000944","PubChem ID":"8215","KEGG ID":"C08281"},{"Metabolite":"Dihydroquinazoline","HMDB ID":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Glyceryl glucoside","HMDB ID":"","PubChem ID":"","KEGG ID":""},{"Metabolite":"Arachidic acid","HMDB ID":"HMDB0002212","PubChem ID":"10467","KEGG ID":"C06425"},{"Metabolite":"Propionic acid","HMDB ID":"HMDB0000237","PubChem ID":"1032","KEGG ID":"C00163"},{"Metabolite":"Linoleic acid","HMDB ID":"HMDB0000673","PubChem ID":"5280450","KEGG ID":"C01595"}]
}

}