{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002936","ANALYSIS_ID":"AN004816","VERSION":"1","CREATED_ON":"October 18, 2023, 7:57 am"},

"PROJECT":{"PROJECT_TITLE":"O-GlcNAcase activity maintains stress granules for proximity-enhanced ATP production to ensure recovery from stress","PROJECT_SUMMARY":"Accurate disassembly of stress granules (SGs) after environmental stimuli release is essential for cells to maintain homeostasis , which requires ATP-consuming processes. However, the molecular mechanism whereby regulation of SGs programmatically disassembly and ATP restoration remain poorly understood in mammalian cells. Here we found that defect of OGA in cells leads to aggregates formation, severe autophagy and eventually apoptosis during stress recovery. OGA, which localized in SGs, had no effect on SGs formation but could protect SGs from rapid disassembly during stress recovery stage. Then the SGs localized glycolysis-related enzymes were reserved and concentrated in SGs during stress release for ATP production in a proximity manner, which was vital to guarantee cells resistant to stress and survival during recovery. Finally, supplementation of ATP to OGA knockdown cells during stress recovery significantly rescue cell from aggregates, autophagy and apoptosis. Together, these results describe a brand new mechanism on how OGA regulates the programmed disassembly of stress granules and restoration of ATP to safeguard cell viability in a very precisely programmed process, whose rate is rigorous regulated.","INSTITUTE":"Zhejiang University","DEPARTMENT":"Life Sciences Institute","LABORATORY":"Shixian Lin","LAST_NAME":"Chen","FIRST_NAME":"Yulin","ADDRESS":"Life Sciences Institute, Zhejiang University, Hangzhou, Zhejiang province, China","EMAIL":"ychen209@qq.com","PHONE":"18868107794"},

"STUDY":{"STUDY_TITLE":"O-GlcNAcase activity maintains stress granules for proximity-enhanced ATP production to ensure recovery from stress (Part 2)","STUDY_SUMMARY":"Accurate disassembly of stress granules (SGs) after environmental stimuli release is essential for cells to maintain homeostasis , which requires ATP-consuming processes. However, the molecular mechanism whereby regulation of SGs programmatically disassembly and ATP restoration remain poorly understood in mammalian cells. Here we found that defect of OGA in cells leads to aggregates formation, severe autophagy and eventually apoptosis during stress recovery. OGA, which localized in SGs, had no effect on SGs formation but could protect SGs from rapid disassembly during stress recovery stage. Then the SGs localized glycolysis-related enzymes were reserved and concentrated in SGs during stress release for ATP production in a proximity manner, which was vital to guarantee cells resistant to stress and survival during recovery. Finally, supplementation of ATP to OGA knockdown cells during stress recovery significantly rescue cell from aggregates, autophagy and apoptosis. Together, these results describe a brand new mechanism on how OGA regulates the programmed disassembly of stress granules and restoration of ATP to safeguard cell viability in a very precisely programmed process, whose rate is rigorous regulated. This is a continuation of study ST002927 where a different set precursor/product ions were chosen for MS.","INSTITUTE":"Zhejiang University","DEPARTMENT":"Life Sciences Institute","LABORATORY":"Shixian Lin","LAST_NAME":"Chen","FIRST_NAME":"Yulin","ADDRESS":"Life Sciences Institute, Zhejiang University, Hangzhou, Zhejiang province, China","EMAIL":"ychen209@qq.com","PHONE":"18868107794"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"QC-1",
"Factors":{"Factor":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"00QC","Other":"QC-1"}
},
{
"Subject ID":"-",
"Sample ID":"QC-2",
"Factors":{"Factor":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"00QC","Other":"QC-2"}
},
{
"Subject ID":"-",
"Sample ID":"QC-3",
"Factors":{"Factor":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"00QC","Other":"QC-3"}
},
{
"Subject ID":"-",
"Sample ID":"C1",
"Factors":{"Factor":"noStressHeLa"},
"Additional sample data":{"RAW_FILE_NAME":"01C1","Other":"noStressHeLa-1"}
},
{
"Subject ID":"-",
"Sample ID":"C2",
"Factors":{"Factor":"noStressHeLa"},
"Additional sample data":{"RAW_FILE_NAME":"02C2","Other":"noStressHeLa-2"}
},
{
"Subject ID":"-",
"Sample ID":"C3",
"Factors":{"Factor":"noStressHeLa"},
"Additional sample data":{"RAW_FILE_NAME":"03C3","Other":"noStressHeLa-3"}
},
{
"Subject ID":"-",
"Sample ID":"C4",
"Factors":{"Factor":"noStressKDOGA"},
"Additional sample data":{"RAW_FILE_NAME":"04C4","Other":"noStressKDOGA-1"}
},
{
"Subject ID":"-",
"Sample ID":"C5",
"Factors":{"Factor":"noStressKDOGA"},
"Additional sample data":{"RAW_FILE_NAME":"05C5","Other":"noStressKDOGA-2"}
},
{
"Subject ID":"-",
"Sample ID":"C6",
"Factors":{"Factor":"noStressKDOGA"},
"Additional sample data":{"RAW_FILE_NAME":"06C6","Other":"noStressKDOGA-3"}
},
{
"Subject ID":"-",
"Sample ID":"C7",
"Factors":{"Factor":"StressHeLa"},
"Additional sample data":{"RAW_FILE_NAME":"07C7","Other":"StressHeLa-1"}
},
{
"Subject ID":"-",
"Sample ID":"C8",
"Factors":{"Factor":"StressHeLa"},
"Additional sample data":{"RAW_FILE_NAME":"08C8","Other":"StressHeLa-2"}
},
{
"Subject ID":"-",
"Sample ID":"C9",
"Factors":{"Factor":"StressHeLa"},
"Additional sample data":{"RAW_FILE_NAME":"09C9","Other":"StressHeLa-3"}
},
{
"Subject ID":"-",
"Sample ID":"C10",
"Factors":{"Factor":"StressKDOGA"},
"Additional sample data":{"RAW_FILE_NAME":"10C10","Other":"StressKDOGA-1"}
},
{
"Subject ID":"-",
"Sample ID":"C11",
"Factors":{"Factor":"StressKDOGA"},
"Additional sample data":{"RAW_FILE_NAME":"11C11","Other":"StressKDOGA-2"}
},
{
"Subject ID":"-",
"Sample ID":"C12",
"Factors":{"Factor":"StressKDOGA"},
"Additional sample data":{"RAW_FILE_NAME":"12C12","Other":"StressKDOGA-3"}
},
{
"Subject ID":"-",
"Sample ID":"C13",
"Factors":{"Factor":"RecoveryHeLa"},
"Additional sample data":{"RAW_FILE_NAME":"13C13","Other":"RecoveryHeLa-1"}
},
{
"Subject ID":"-",
"Sample ID":"C14",
"Factors":{"Factor":"RecoveryHeLa"},
"Additional sample data":{"RAW_FILE_NAME":"14C14","Other":"RecoveryHeLa-2"}
},
{
"Subject ID":"-",
"Sample ID":"C15",
"Factors":{"Factor":"RecoveryHeLa"},
"Additional sample data":{"RAW_FILE_NAME":"15C15","Other":"RecoveryHeLa-3"}
},
{
"Subject ID":"-",
"Sample ID":"C16",
"Factors":{"Factor":"RecoveryKDOGA"},
"Additional sample data":{"RAW_FILE_NAME":"16C16","Other":"RecoveryKDOGA-1"}
},
{
"Subject ID":"-",
"Sample ID":"C17",
"Factors":{"Factor":"RecoveryKDOGA"},
"Additional sample data":{"RAW_FILE_NAME":"17C17","Other":"RecoveryKDOGA-2"}
},
{
"Subject ID":"-",
"Sample ID":"C18",
"Factors":{"Factor":"RecoveryKDOGA"},
"Additional sample data":{"RAW_FILE_NAME":"18C18","Other":"RecoveryKDOGA-3"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Care was taken to quench cells quickly to minimize oxidation and degradation.","SAMPLE_TYPE":"Cultured cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"HeLa cells of shControl or shOGA were treated with no stress, stress by 1 M sorbitol for 1 hr, or recovery from stress for 2 hr."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Briefly, equal confluency of cells in 6-well plate with 3 biological replicates were rinsed by 1 mL HPLC-grade water rapidly and immediately quenched by directly added by 1 mL liquid nitrogen to the plate. Then, 1 mL ice-cold 90% MC buffer (MC, 9: 1 MeOH: CHCl3. 90% MC, 9 : 1 MC: water) with 5 µM methionine sulfone as internal signal was added to each well of plate and the cells were scraped and transferred to1.5-mL tubes. Extracts were centrifuged at 4 ℃ for 5 min at 16,000 xg and the supernatants were transferred to new clean 1.5-mL tubes and equal volume of each sample was pooled for the QC sample. Finally, the extracts were dried using vacuum concentrator system and store at -80 ℃ until analysis. For targeted analysis, the dried extracts were resuspended by 100 µL 60% acetonitrile and centrifuged at 4 ℃ for 15 min at 15,000 xg after 30 min incubation at 4 ℃. Only the supernatant was transferred to autosampler vials for MS analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Shimadzu 20AD","COLUMN_NAME":"Merck SeQuant ZIC-HILIC (150 x 2.1mm,5um)","SOLVENT_A":"100% water; 20 mM ammonium carbonate","SOLVENT_B":"100% acetonitrile","FLOW_GRADIENT":"0.01 min 80% B, 20 min 20% B, 20.5 min 80% B, 24 min 80% B.","FLOW_RATE":"0.15 mL/min","COLUMN_TEMPERATURE":"45"},

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

"MS":{"INSTRUMENT_NAME":"ABI Sciex Triple Quad 5500+","INSTRUMENT_TYPE":"QTRAP","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"The raw data were extracted with the software Analyst v1.7.2 and OS v1.7. This is a continuation of study ST002927 where a different set precursor/product ions were chosen for MS."},

"MS_METABOLITE_DATA":{
"Units":"Peak intensity",

"Data":[{"Metabolite":"glyoxylate","QC-1":"46270.45776","QC-2":"43302.7969","QC-3":"9398.82278","C1":"5608.297769","C2":"N/A","C3":"31849.34614","C4":"14724.70007","C5":"39477.81485","C6":"N/A","C7":"6986.572495","C8":"11292.50987","C9":"15476.8407","C10":"73167.93666","C11":"12676.0203","C12":"46964.30665","C13":"18935.69095","C14":"34577.74024","C15":"26182.64137","C16":"13539.37552","C17":"43899.21853","C18":"14309.12686"},{"Metabolite":"glycolate","QC-1":"23284.06631","QC-2":"3740.308762","QC-3":"N/A","C1":"98021.74625","C2":"93862.80326","C3":"35943.66256","C4":"43587.17805","C5":"23235.59851","C6":"41117.09796","C7":"N/A","C8":"21041.02817","C9":"N/A","C10":"N/A","C11":"1403","C12":"N/A","C13":"N/A","C14":"N/A","C15":"N/A","C16":"N/A","C17":"N/A","C18":"N/A"},{"Metabolite":"pyruvate","QC-1":"899687.3966","QC-2":"933717.3714","QC-3":"848559.987","C1":"448560.0579","C2":"390005.0229","C3":"352362.1054","C4":"331577.386","C5":"328011.5007","C6":"253363.798","C7":"509851.3486","C8":"499555.1285","C9":"484365.1487","C10":"612782.1039","C11":"462496.7083","C12":"684424.3631","C13":"1491778.034","C14":"763539.9281","C15":"200028.6533","C16":"1484415.578","C17":"1593811.76","C18":"660967.2569"},{"Metabolite":"lactate","QC-1":"13152951.85","QC-2":"13105714.16","QC-3":"13048310.91","C1":"31900858.95","C2":"24447921.2","C3":"35678729.77","C4":"18706523.83","C5":"13128999.19","C6":"9359520.421","C7":"7837700.932","C8":"7634982.156","C9":"7226734.348","C10":"11235005.16","C11":"7337812.888","C12":"6072360.82","C13":"23237418.25","C14":"9877877.056","C15":"13856034.98","C16":"12161209.84","C17":"17541125","C18":"8942884.735"},{"Metabolite":"2-oxobutanoate/acetoacetate","QC-1":"1060359.587","QC-2":"N/A","QC-3":"39303.642","C1":"85571.27265","C2":"3147347.412","C3":"1749684.974","C4":"481620.2181","C5":"1137908.492","C6":"537851.1143","C7":"N/A","C8":"N/A","C9":"7014.733213","C10":"N/A","C11":"52413.27147","C12":"55835.8013","C13":"N/A","C14":"N/A","C15":"N/A","C16":"N/A","C17":"N/A","C18":"13097.005"},{"Metabolite":"glycerate","QC-1":"44354.85035","QC-2":"64537.54371","QC-3":"52846.59339","C1":"34135.63727","C2":"18731.63355","C3":"38790.11714","C4":"21529.57875","C5":"34625.14276","C6":"29927.48034","C7":"52835.36661","C8":"54685.2582","C9":"53795.06458","C10":"86505.41171","C11":"67326.65815","C12":"91158.44337","C13":"49261.61493","C14":"24785.24854","C15":"36005.22581","C16":"19079.071","C17":"40894.77666","C18":"13118.97735"},{"Metabolite":"uracil","QC-1":"70019.26558","QC-2":"106964.5333","QC-3":"97973.88261","C1":"35388.1167","C2":"34516.40962","C3":"86729.7942","C4":"76478.26994","C5":"53072.05134","C6":"49795.5118","C7":"98692.16307","C8":"103446.3215","C9":"132739.8929","C10":"332964.5684","C11":"327490.1627","C12":"319795.7264","C13":"20734.99798","C14":"130809.743","C15":"43176.83567","C16":"35661.51867","C17":"41612.7879","C18":"13169.64795"},{"Metabolite":"fumarate","QC-1":"1550878.892","QC-2":"N/A","QC-3":"7950.801","C1":"220049.9627","C2":"2347279.523","C3":"4628817.102","C4":"5660216.572","C5":"195223.9758","C6":"622086.7054","C7":"N/A","C8":"130549.6961","C9":"N/A","C10":"43030.18844","C11":"12628.40286","C12":"N/A","C13":"N/A","C14":"N/A","C15":"N/A","C16":"1870.199","C17":"4209","C18":"2806"},{"Metabolite":"Maleic acid","QC-1":"514391.8164","QC-2":"698022.3586","QC-3":"676215.9309","C1":"729188.8291","C2":"660572.0281","C3":"1373139.471","C4":"817213.5823","C5":"600135.3882","C6":"485787.2516","C7":"1335809.775","C8":"1123509.917","C9":"1234310.8","C10":"886105.3911","C11":"857483.686","C12":"561926.4647","C13":"621603.7536","C14":"491440.9879","C15":"573005.6109","C16":"330666.5719","C17":"364336.4987","C18":"431702.5891"},{"Metabolite":"2-keto-isovalerate","QC-1":"741948.7768","QC-2":"723219.143","QC-3":"737788.2302","C1":"809378.4852","C2":"886150.7954","C3":"1334099.958","C4":"778968.7562","C5":"506754.1684","C6":"712750.7132","C7":"1329220.939","C8":"985032.4768","C9":"1410667.536","C10":"924614.0824","C11":"704680.6603","C12":"652636.7024","C13":"597315.7157","C14":"454111.4648","C15":"509553.5842","C16":"331330.9545","C17":"228800.3503","C18":"311294.1429"},{"Metabolite":"Guanidoacetic acid","QC-1":"44528.17761","QC-2":"51287.58307","QC-3":"39302.09049","C1":"34841.25251","C2":"34448.09306","C3":"47702.88528","C4":"69499.70302","C5":"46273.92309","C6":"44877.24906","C7":"18272.11417","C8":"8182.278056","C9":"27822.73896","C10":"61242.95171","C11":"15552.01286","C12":"14962.97719","C13":"61565.13737","C14":"29421.9039","C15":"41154.08795","C16":"21041.25135","C17":"26658.20086","C18":"23379.42537"},{"Metabolite":"succinate","QC-1":"649795.4612","QC-2":"632479.8904","QC-3":"822429.1685","C1":"591277.7909","C2":"432836.8514","C3":"582329.3985","C4":"471637.402","C5":"435825.1121","C6":"588744.7953","C7":"1670847.517","C8":"1538390.986","C9":"1581765.611","C10":"1066634.867","C11":"837885.658","C12":"893525.2713","C13":"987093.549","C14":"603062.0472","C15":"605347.4174","C16":"667060.5175","C17":"859787.5094","C18":"467225.544"},{"Metabolite":"Methylmalonic acid","QC-1":"866910.9093","QC-2":"877158.1183","QC-3":"1171755.827","C1":"674570.0938","C2":"852230.5314","C3":"890999.1697","C4":"554596.8855","C5":"535320.4787","C6":"412343.9604","C7":"2083868.919","C8":"1937317.944","C9":"1943266.712","C10":"1346361.576","C11":"1127449.52","C12":"1050278.084","C13":"1302872.665","C14":"658102.6033","C15":"940309.929","C16":"915740.6909","C17":"1119832.905","C18":"465854.0736"},{"Metabolite":"3-S-methylthiopropionate","QC-1":"2804.597","QC-2":"N/A","QC-3":"N/A","C1":"N/A","C2":"6077.611504","C3":"8857.446715","C4":"N/A","C5":"N/A","C6":"N/A","C7":"N/A","C8":"N/A","C9":"N/A","C10":"N/A","C11":"N/A","C12":"1870.199","C13":"N/A","C14":"N/A","C15":"N/A","C16":"N/A","C17":"N/A","C18":"N/A"},{"Metabolite":"nicotinate","QC-1":"303842.9389","QC-2":"N/A","QC-3":"N/A","C1":"109265.8799","C2":"114348.6544","C3":"544898.5233","C4":"217541.1024","C5":"8480.139171","C6":"245616.7806","C7":"N/A","C8":"N/A","C9":"N/A","C10":"2966.119507","C11":"8419.402978","C12":"13270.69761","C13":"N/A","C14":"N/A","C15":"N/A","C16":"N/A","C17":"N/A","C18":"N/A"},{"Metabolite":"taurine","QC-1":"8399509.559","QC-2":"8524290.732","QC-3":"9686895.776","C1":"16162874.14","C2":"13192504.24","C3":"20368202.05","C4":"14015936.44","C5":"10369241.79","C6":"10619837.14","C7":"10832308.38","C8":"10011012.14","C9":"10983796.2","C10":"12725451.76","C11":"10309519.25","C12":"9923678.474","C13":"2890035.052","C14":"1780248.835","C15":"3022653.995","C16":"655213.0015","C17":"777007.4478","C18":"538625.6745"},{"Metabolite":"Pyroglutamic 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(min)":"9.6"},{"Metabolite":"sn-glycerol-3-phosphate","Precursor ion (m/z)":"171","Product ion (m/z)":"79","Retention time (min)":"8.36"},{"Metabolite":"shikimate","Precursor ion (m/z)":"173","Product ion (m/z)":"93","Retention time (min)":"7.69"},{"Metabolite":"aconitate","Precursor ion (m/z)":"173.05","Product ion (m/z)":"85","Retention time (min)":"11.12"},{"Metabolite":"allantoate","Precursor ion (m/z)":"175","Product ion (m/z)":"132","Retention time (min)":""},{"Metabolite":"Ascorbic acid","Precursor ion (m/z)":"175.001","Product ion (m/z)":"87","Retention time (min)":"7.73"},{"Metabolite":"2-Isopropylmalic acid","Precursor ion (m/z)":"175.002","Product ion (m/z)":"115","Retention time (min)":"5.94"},{"Metabolite":"N-carbamoyl-L-aspartate_neg","Precursor ion (m/z)":"175.03","Product ion (m/z)":"132","Retention time (min)":"10.08"},{"Metabolite":"Pyrophosphate","Precursor ion (m/z)":"176.8","Product ion (m/z)":"158.6","Retention time 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(min)":"5.01"},{"Metabolite":"citrate-isocitrate","Precursor ion (m/z)":"191","Product ion (m/z)":"111","Retention time (min)":"11.45"},{"Metabolite":"isocitrate","Precursor ion (m/z)":"191.02","Product ion (m/z)":"117","Retention time (min)":""},{"Metabolite":"citrate","Precursor ion (m/z)":"191.05","Product ion (m/z)":"87","Retention time (min)":""},{"Metabolite":"2-dehydro-D-gluconate","Precursor ion (m/z)":"193","Product ion (m/z)":"103","Retention time (min)":""},{"Metabolite":"D-gluconate","Precursor ion (m/z)":"195","Product ion (m/z)":"129","Retention time (min)":"7.66"},{"Metabolite":"D-erythrose-4-phosphate","Precursor ion (m/z)":"199","Product ion (m/z)":"97","Retention time (min)":""},{"Metabolite":"Xanthurenic acid","Precursor ion (m/z)":"204.001","Product ion (m/z)":"160","Retention time (min)":"5.5"},{"Metabolite":"lipoate","Precursor ion (m/z)":"205","Product ion (m/z)":"171","Retention time (min)":"2.15"},{"Metabolite":"D-glucarate","Precursor ion (m/z)":"209","Product ion (m/z)":"85","Retention time (min)":""},{"Metabolite":"deoxyribose-phosphate","Precursor ion (m/z)":"213","Product ion (m/z)":"79","Retention time (min)":"8.37"},{"Metabolite":"pantothenate","Precursor ion (m/z)":"218","Product ion (m/z)":"146","Retention time (min)":"3.5"},{"Metabolite":"prephenate","Precursor ion (m/z)":"225","Product ion (m/z)":"91","Retention time (min)":""},{"Metabolite":"deoxyuridine","Precursor ion (m/z)":"227","Product ion (m/z)":"184","Retention time (min)":"3.21"},{"Metabolite":"ribose-phosphate","Precursor ion (m/z)":"229","Product ion (m/z)":"79","Retention time (min)":"9.46"},{"Metabolite":"thymidine","Precursor ion (m/z)":"241","Product ion (m/z)":"125","Retention time (min)":"2.83"},{"Metabolite":"uridine","Precursor ion (m/z)":"243","Product ion (m/z)":"200","Retention time (min)":"4.66"},{"Metabolite":"deoxyinosine","Precursor ion (m/z)":"251","Product ion (m/z)":"135","Retention time (min)":"4.54"},{"Metabolite":"shikimate-3-phosphate","Precursor ion (m/z)":"253.1","Product ion (m/z)":"97","Retention time (min)":""},{"Metabolite":"6-phospho-D-glucono-1_5-lactone","Precursor ion (m/z)":"257","Product ion (m/z)":"97","Retention time (min)":""},{"Metabolite":"hexose-phosphate","Precursor ion (m/z)":"259","Product ion (m/z)":"79","Retention time (min)":""},{"Metabolite":"glucose-1-phosphate","Precursor ion (m/z)":"259.01","Product ion (m/z)":"241","Retention time (min)":"9.6"},{"Metabolite":"glucose-6-phosphate","Precursor ion (m/z)":"259.02","Product ion (m/z)":"199","Retention time (min)":"10.25"},{"Metabolite":"fructose-6-phosphate","Precursor ion (m/z)":"259.03","Product ion (m/z)":"169","Retention time (min)":"9.7"},{"Metabolite":"1_3-diphopshateglycerate","Precursor ion (m/z)":"265","Product ion (m/z)":"79","Retention time (min)":""},{"Metabolite":"2_3-Diphosphoglyceric acid","Precursor ion (m/z)":"265.1","Product ion (m/z)":"167.1","Retention time (min)":""},{"Metabolite":"S-ribosyl-L-homocysteine_neg","Precursor ion (m/z)":"266","Product ion (m/z)":"134","Retention time (min)":""},{"Metabolite":"inosine","Precursor ion (m/z)":"267","Product ion (m/z)":"135","Retention time (min)":"5.15"},{"Metabolite":"6-phospho-D-gluconate","Precursor ion (m/z)":"275","Product ion (m/z)":"97","Retention time (min)":"11.35"},{"Metabolite":"xanthosine","Precursor ion (m/z)":"283","Product ion (m/z)":"151","Retention time (min)":"6.28"},{"Metabolite":"D-sedoheptulose-1-7-phosphate","Precursor ion (m/z)":"289","Product ion (m/z)":"97","Retention time (min)":"9.81"},{"Metabolite":"N-acetyl-glucosamine-1-phosphate","Precursor ion (m/z)":"300","Product ion (m/z)":"79","Retention time (min)":""},{"Metabolite":"glutathione_neg","Precursor ion (m/z)":"306","Product ion (m/z)":"143","Retention time (min)":"8.11"},{"Metabolite":"dUMP_neg","Precursor ion (m/z)":"307","Product ion (m/z)":"195","Retention time (min)":"7.6"},{"Metabolite":"Geranyl-PP","Precursor ion (m/z)":"313","Product ion (m/z)":"79","Retention time (min)":""},{"Metabolite":"octulose-monophosphate","Precursor ion (m/z)":"319","Product ion (m/z)":"97","Retention time (min)":""},{"Metabolite":"dTMP_neg","Precursor ion (m/z)":"321","Product ion (m/z)":"195","Retention time (min)":""},{"Metabolite":"cyclic-AMP","Precursor ion (m/z)":"328","Product ion (m/z)":"134.05","Retention time (min)":"4.55"},{"Metabolite":"fructose-1_6-bisphosphate","Precursor ion (m/z)":"339","Product ion (m/z)":"97","Retention time (min)":""},{"Metabolite":"sucrose","Precursor ion (m/z)":"341","Product ion (m/z)":"179","Retention time (min)":"8.09"},{"Metabolite":"trehalose","Precursor ion (m/z)":"341","Product ion (m/z)":"179","Retention time (min)":"8.83"},{"Metabolite":"Cellobiose","Precursor ion (m/z)":"341.1","Product ion (m/z)":"263.1","Retention time (min)":"8.61"},{"Metabolite":"orotidine-5-phosphate","Precursor ion (m/z)":"367","Product ion (m/z)":"323","Retention time (min)":""},{"Metabolite":"Sedoheptulose 1_7-bisphosphate","Precursor ion (m/z)":"369","Product ion (m/z)":"97","Retention time (min)":""},{"Metabolite":"trans_ trans-farnesyl diphosphate","Precursor ion (m/z)":"381","Product ion (m/z)":"79","Retention time (min)":""},{"Metabolite":"S-adenosyl-L-homocysteine_neg","Precursor ion (m/z)":"383.1","Product ion (m/z)":"134","Retention time (min)":"7"},{"Metabolite":"dCDP_neg","Precursor ion (m/z)":"386","Product ion (m/z)":"159","Retention time (min)":"10.74"},{"Metabolite":"5-phosphoribosyl-1-pyrophosphate","Precursor ion (m/z)":"389","Product ion (m/z)":"291","Retention time (min)":""},{"Metabolite":"Deoxycholic acid","Precursor ion (m/z)":"391.202","Product ion (m/z)":"345.2","Retention time (min)":"2.02"},{"Metabolite":"octulose-1_8-bisphosphate","Precursor ion (m/z)":"399","Product ion (m/z)":"97","Retention time (min)":""},{"Metabolite":"dTDP_neg","Precursor ion (m/z)":"401","Product ion (m/z)":"159","Retention time (min)":""},{"Metabolite":"CDP_neg","Precursor ion (m/z)":"402","Product ion (m/z)":"384","Retention time (min)":"10.82"},{"Metabolite":"UDP_neg","Precursor ion (m/z)":"403","Product ion (m/z)":"159","Retention time (min)":"10.24"},{"Metabolite":"Cholic acid","Precursor ion (m/z)":"407.2","Product ion (m/z)":"345.2","Retention time (min)":""},{"Metabolite":"trehalose-6-Phosphate","Precursor ion (m/z)":"421","Product ion (m/z)":"79","Retention time (min)":""},{"Metabolite":"Thiamine pyrophosphate","Precursor ion (m/z)":"423.1","Product ion (m/z)":"302","Retention time (min)":"8.33"},{"Metabolite":"adenosine 5-phosphosulfate","Precursor ion (m/z)":"426","Product ion (m/z)":"346","Retention time (min)":""},{"Metabolite":"ADP_neg","Precursor ion (m/z)":"426.1","Product ion (m/z)":"159","Retention time (min)":"10.34"},{"Metabolite":"dGDP_neg","Precursor ion (m/z)":"426.12","Product ion (m/z)":"159","Retention time (min)":""},{"Metabolite":"IDP_neg","Precursor ion (m/z)":"427","Product ion (m/z)":"159","Retention time (min)":"11.56"},{"Metabolite":"GDP_neg","Precursor ion (m/z)":"442","Product ion (m/z)":"159","Retention time (min)":"12.06"},{"Metabolite":"CDP-ethanolamine","Precursor ion (m/z)":"445","Product ion (m/z)":"273","Retention time (min)":"9.49"},{"Metabolite":"FMN","Precursor ion (m/z)":"455","Product ion (m/z)":"213","Retention time (min)":""},{"Metabolite":"cholesteryl sulfate","Precursor ion (m/z)":"465.2","Product ion (m/z)":"97","Retention time (min)":""},{"Metabolite":"dCTP_neg","Precursor ion (m/z)":"466","Product ion (m/z)":"159","Retention time (min)":""},{"Metabolite":"dUTP_neg","Precursor ion (m/z)":"467","Product ion (m/z)":"159","Retention time (min)":"11.36"},{"Metabolite":"dTTP_neg","Precursor ion (m/z)":"481","Product ion (m/z)":"159","Retention time (min)":""},{"Metabolite":"CTP_neg","Precursor ion (m/z)":"482","Product ion (m/z)":"384","Retention time (min)":""},{"Metabolite":"UTP_neg","Precursor ion (m/z)":"483","Product ion (m/z)":"159","Retention time (min)":"12.6"},{"Metabolite":"CDP-choline","Precursor ion (m/z)":"487","Product ion (m/z)":"428","Retention time (min)":""},{"Metabolite":"dATP_neg","Precursor ion (m/z)":"490","Product ion (m/z)":"159","Retention time (min)":"11.17"},{"Metabolite":"Taurodeoxycholic acid","Precursor ion (m/z)":"498.2","Product ion (m/z)":"124","Retention time (min)":""},{"Metabolite":"ATP_neg","Precursor ion (m/z)":"506.1","Product ion (m/z)":"159","Retention time (min)":"11.56"},{"Metabolite":"dGTP","Precursor ion (m/z)":"506.12","Product ion (m/z)":"159","Retention time (min)":"11.77"},{"Metabolite":"GTP_neg","Precursor ion (m/z)":"522","Product ion (m/z)":"424","Retention time (min)":"13.46"},{"Metabolite":"UDP-D-glucose","Precursor ion (m/z)":"565","Product ion (m/z)":"323","Retention time (min)":"9.87"},{"Metabolite":"UDP-D-glucuronate","Precursor ion (m/z)":"579","Product ion (m/z)":"403","Retention time (min)":""},{"Metabolite":"ADP-D-glucose","Precursor ion (m/z)":"588","Product ion (m/z)":"346","Retention time (min)":"8.74"},{"Metabolite":"guanosine 5-diphosphate_3-diphosphate","Precursor ion (m/z)":"602","Product ion (m/z)":"504","Retention time (min)":""},{"Metabolite":"UDP-N-acetyl-glucosamine","Precursor ion (m/z)":"606","Product ion (m/z)":"385","Retention time (min)":"8.95"},{"Metabolite":"glutathione disulfide_neg","Precursor ion (m/z)":"611","Product ion (m/z)":"306","Retention time (min)":"10.66"},{"Metabolite":"NAD+_neg","Precursor ion (m/z)":"662","Product ion (m/z)":"540","Retention time (min)":"7.7"},{"Metabolite":"NADH_neg","Precursor ion (m/z)":"664","Product ion (m/z)":"408","Retention time (min)":"7.14"},{"Metabolite":"dephospho-CoA_neg","Precursor ion (m/z)":"686.2","Product ion (m/z)":"339","Retention time (min)":""},{"Metabolite":"cyclic bis(3->5) dimeric GMP","Precursor ion (m/z)":"689","Product ion (m/z)":"344","Retention time (min)":"10.78"},{"Metabolite":"NADP+_neg","Precursor ion (m/z)":"742","Product ion (m/z)":"620","Retention time (min)":"10.64"},{"Metabolite":"NADPH_neg","Precursor ion (m/z)":"744","Product ion (m/z)":"408","Retention time (min)":"10.62"},{"Metabolite":"coenzyme A_neg","Precursor ion (m/z)":"766","Product ion (m/z)":"408","Retention time (min)":"8.15"},{"Metabolite":"acetyl-CoA_pos","Precursor ion (m/z)":"808","Product ion (m/z)":"408","Retention time (min)":"7.21"},{"Metabolite":"propionyl-CoA_neg","Precursor ion (m/z)":"822.2","Product ion (m/z)":"408","Retention time (min)":""},{"Metabolite":"butyryl-CoA","Precursor ion (m/z)":"836.2","Product ion (m/z)":"408","Retention time (min)":""},{"Metabolite":"acetoacetyl-CoA_neg","Precursor ion (m/z)":"850.2","Product ion (m/z)":"766.1","Retention time (min)":""},{"Metabolite":"malonyl-CoA_neg","Precursor ion (m/z)":"852.2","Product ion (m/z)":"808.2","Retention time (min)":""},{"Metabolite":"3-hydroxybutyryl-CoA","Precursor ion (m/z)":"852.22","Product ion (m/z)":"408","Retention time (min)":""},{"Metabolite":"succinyl-CoA-methylmalonyl-CoA_neg","Precursor ion (m/z)":"866.2","Product ion (m/z)":"822","Retention time (min)":""},{"Metabolite":"3-hydroxy-3-methylglutaryl-CoA_neg","Precursor ion (m/z)":"910.2","Product ion (m/z)":"408","Retention time (min)":"9.15"},{"Metabolite":"2-deoxyglucose-6-phosphate","Precursor ion (m/z)":"243.2","Product ion (m/z)":"97.1","Retention time (min)":""},{"Metabolite":"2-hydroxygluterate","Precursor ion (m/z)":"147.1","Product ion (m/z)":"128.7","Retention time (min)":"8.94"},{"Metabolite":"2-phosphoglycerate","Precursor ion (m/z)":"","Product ion (m/z)":"","Retention time (min)":""},{"Metabolite":"n-acetylneuraminate","Precursor ion (m/z)":"","Product ion (m/z)":"","Retention time (min)":""},{"Metabolite":"n-acetylneuraminate(1)","Precursor ion (m/z)":"","Product ion (m/z)":"","Retention time (min)":""},{"Metabolite":"tartrate","Precursor ion (m/z)":"","Product ion (m/z)":"","Retention time (min)":""},{"Metabolite":"tartrate(1)","Precursor ion (m/z)":"","Product ion (m/z)":"","Retention time (min)":""},{"Metabolite":"3-dehydroshikimate","Precursor ion (m/z)":"","Product ion (m/z)":"","Retention time (min)":""},{"Metabolite":"3-dehydroshikimate(1)","Precursor ion (m/z)":"","Product ion (m/z)":"","Retention time (min)":""},{"Metabolite":"glyceraldehyde","Precursor ion (m/z)":"","Product ion (m/z)":"","Retention time (min)":""},{"Metabolite":"glyceraldehyde(1)","Precursor ion (m/z)":"","Product ion (m/z)":"","Retention time (min)":""},{"Metabolite":"galactitol","Precursor ion (m/z)":"","Product ion (m/z)":"","Retention time (min)":""},{"Metabolite":"2-phosphoglycerate_3","Precursor ion (m/z)":"","Product ion (m/z)":"","Retention time (min)":""},{"Metabolite":"glucose","Precursor ion (m/z)":"","Product ion (m/z)":"","Retention time (min)":""},{"Metabolite":"itaconic acid","Precursor ion (m/z)":"","Product ion (m/z)":"","Retention time (min)":""}]
}

}