#METABOLOMICS WORKBENCH spinelli_lab_20251112_193657 DATATRACK_ID:6677 STUDY_ID:ST004397 ANALYSIS_ID:AN007350 PROJECT_ID:PR002783 VERSION 1 CREATED_ON November 26, 2025, 11:56 am #PROJECT PR:PROJECT_TITLE Metabolic Reprogramming during Human Neuron Differentiation Indicates PR:PROJECT_TITLE Glutaminase as a Key Determinant in Fragile X Syndrome PR:PROJECT_SUMMARY Metabolic homeostasis gone awry is a contributor to, if not an underlying cause PR:PROJECT_SUMMARY of, several neurologic disorders. Fragile X syndrome (FXS) is a PR:PROJECT_SUMMARY neurodevelopmental disorder caused by a trinucleotide repeat expansion in FMR1 PR:PROJECT_SUMMARY and consequent loss of the encoded protein FMRP, which results in downstream PR:PROJECT_SUMMARY molecular, neurologic, and mitochondrial deficits that are linked to cognitive PR:PROJECT_SUMMARY impairment. In human postmortem brain, many metabolites and solute carrier PR:PROJECT_SUMMARY proteins are coordinately dysregulated, which also occurs during differentiation PR:PROJECT_SUMMARY of human iPSCs into excitatory neurons. Metabolic tracing in FXS neurons PR:PROJECT_SUMMARY demonstrates a dearth of glutamine deamidation to glutamate, which reduces PR:PROJECT_SUMMARY anaplerosis into the TCA cycle, potentially hindering bioenergetic and PR:PROJECT_SUMMARY biosynthetic functions of mitochondria. Mechanistically, aberrant expression of PR:PROJECT_SUMMARY glutaminase isoforms in FXS is responsible for reduced glutaminolysis, thereby PR:PROJECT_SUMMARY altering glutamate levels which may contribute to FXS. PR:INSTITUTE UMass Chan Medical School PR:LAST_NAME UMass Chan PR:FIRST_NAME Spinelli Lab PR:ADDRESS 55 Lake Avenue North, Worcester, Massachusetts, 01605, USA PR:EMAIL spinellilab@gmail.com PR:PHONE (508) 856-8989 ext. 68148 #STUDY ST:STUDY_TITLE [¹³C₅,¹⁵N₂]-glutamine stable isotope tracing in TD, FXS2 (partial ST:STUDY_TITLE FMRP), and FXS1 (no FMRP) from Lymphoblastoid cell lines (LCL) ST:STUDY_SUMMARY Fragile X mental retardation protein (FMRP) regulates glutamine catabolism. To ST:STUDY_SUMMARY investigate Gln utilization in Fragile X Syndrome (FXS) patient-derived ST:STUDY_SUMMARY lymphoblast cell lines (LCLs), [¹³C₅,¹⁵N₂]-glutamine stable isotope ST:STUDY_SUMMARY tracing was performed in TD, FXS2 (partial FMRP), and FXS1 (no FMRP) from ST:STUDY_SUMMARY Lymphoblastoid cell lines (LCL) for 8 hours and collect polar metabolites for ST:STUDY_SUMMARY analysis. These data demonstrate the sufficiency for FMRP splicing to alter ST:STUDY_SUMMARY glutamine breakdown. ST:INSTITUTE UMass Chan Medical School ST:LAST_NAME UMass Chan ST:FIRST_NAME Spinelli Lab ST:ADDRESS 55 Lake Avenue North, Worcester, Massachusetts, 01605, USA ST:EMAIL spinellilab@gmail.com ST:PHONE (508) 856-8989 ext. 68148 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - cell WT4 1 Sample source:Male Homo sapien Lymphoblastoid cell lines | Genotype:TD RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_C01 SUBJECT_SAMPLE_FACTORS - cell WT4 2 Sample source:Male Homo sapien Lymphoblastoid cell lines | Genotype:TD RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_C02 SUBJECT_SAMPLE_FACTORS - cell WT4 3 Sample source:Male Homo sapien Lymphoblastoid cell lines | Genotype:TD RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_C03 SUBJECT_SAMPLE_FACTORS - cell FXS1 1 Sample source:Male Homo sapien Lymphoblastoid cell lines | Genotype:FXS RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_C04 SUBJECT_SAMPLE_FACTORS - cell FXS1 2 Sample source:Male Homo sapien Lymphoblastoid cell lines | Genotype:FXS RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_C05 SUBJECT_SAMPLE_FACTORS - cell FXS1 3 Sample source:Male Homo sapien Lymphoblastoid cell lines | Genotype:FXS RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_C06 SUBJECT_SAMPLE_FACTORS - cell FXS2 1 Sample source:Male Homo sapien Lymphoblastoid cell lines | Genotype:FXS RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_C07 SUBJECT_SAMPLE_FACTORS - cell FXS2 2 Sample source:Male Homo sapien Lymphoblastoid cell lines | Genotype:FXS RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_C08 SUBJECT_SAMPLE_FACTORS - cell FXS2 3 Sample source:Male Homo sapien Lymphoblastoid cell lines | Genotype:FXS RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_C09 SUBJECT_SAMPLE_FACTORS - Blank Media Sample source:Cell culture lines media | Genotype:media blank with 13C515N2-gln RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_blankmedia SUBJECT_SAMPLE_FACTORS - media WT4 1 Sample source:Male Homo sapien Lymphoblastoid cell lines media | Genotype:TD RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_M01 SUBJECT_SAMPLE_FACTORS - media WT4 2 Sample source:Male Homo sapien Lymphoblastoid cell lines media | Genotype:TD RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_M02 SUBJECT_SAMPLE_FACTORS - media WT4 3 Sample source:Male Homo sapien Lymphoblastoid cell lines media | Genotype:TD RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_M03 SUBJECT_SAMPLE_FACTORS - media FXS1 1 Sample source:Male Homo sapien Lymphoblastoid cell lines media | Genotype:FXS RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_M04 SUBJECT_SAMPLE_FACTORS - media FXS1 2 Sample source:Male Homo sapien Lymphoblastoid cell lines media | Genotype:FXS RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_M05 SUBJECT_SAMPLE_FACTORS - media FXS1 3 Sample source:Male Homo sapien Lymphoblastoid cell lines media | Genotype:FXS RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_M06 SUBJECT_SAMPLE_FACTORS - media FXS2 1 Sample source:Male Homo sapien Lymphoblastoid cell lines media | Genotype:FXS RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_M07 SUBJECT_SAMPLE_FACTORS - media FXS2 2 Sample source:Male Homo sapien Lymphoblastoid cell lines media | Genotype:FXS RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_M08 SUBJECT_SAMPLE_FACTORS - media FXS2 3 Sample source:Male Homo sapien Lymphoblastoid cell lines media | Genotype:FXS RAW_FILE_NAME(Raw_file_name)=20240419_RichterLab_SS_M09 #COLLECTION CO:COLLECTION_SUMMARY Lymphoblastoid cell lines (LCLs) were obtained from the Coriell Institute, CO:COLLECTION_SUMMARY including three from individuals with Fragile X Syndrome (GM07365 (FXS1), CO:COLLECTION_SUMMARY GM03200 (FXS3) and GM06897 (FXS2)) and two from typically developing male CO:COLLECTION_SUMMARY controls (GM24086 (WT6) and GM06890 (WT4)). CO:SAMPLE_TYPE Cultured cells, Culture media #TREATMENT TR:TREATMENT_SUMMARY Cells were cultured in glutamine free RPMI 1640 medium (Sigma-Aldrich) TR:TREATMENT_SUMMARY supplemented with 15% fetal bovine serum (FBS) and 2mM L-Glutamine-13C5,15N2 TR:TREATMENT_SUMMARY (Catalog#607983, Millipore Sigma) for 8 hours, maintained at 37°C with 5% CO₂ TR:TREATMENT_SUMMARY in T25 flasks. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For extraction from ccell pellets from in-vitro cultures, samples were incubated SP:SAMPLEPREP_SUMMARY on dry ice with cold 80% methanol. The extracts were spun down and the SP:SAMPLEPREP_SUMMARY supernatant was vacuum dried before resuspending in LC/MS grade water. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Merck SeQuant ZIC-HILIC (150 x 2.1mm,5um) CH:SOLVENT_A 100% water; 0.1% ammonium hydroxide; 20mM ammonium carbonate CH:SOLVENT_B 100% acetonitrile CH:FLOW_GRADIENT 20 min, 80% - 20% B; 0.5 min, 20% - 80% B; 7.5min, 80% B CH:FLOW_RATE 0.15ml/min CH:COLUMN_TEMPERATURE 25 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The mass spectrometer had the spray voltage set to 4.0 kV, heated capillary to MS:MS_COMMENTS 350°C, and the HESI probe at 30 °C. The sheath gas flow was set at 10 units, MS:MS_COMMENTS auxiliary gas at 1 units, and sweep gas flow at 1 unit. An additional scan MS:MS_COMMENTS between 220-700 m/z was used to enhance nucleotide detection in the negative MS:MS_COMMENTS mode as well with the maximum injection time set to 80 msec. Data acquired by MS:MS_COMMENTS Thermo Fisher's Xcalibur software and analyzed by their Tracefinder software. MS:MS_COMMENTS The raw files provided contain data from both positive and negative ion mode. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples cell WT4 1 cell WT4 2 cell WT4 3 cell FXS1 1 cell FXS1 2 cell FXS1 3 cell FXS2 1 cell FXS2 2 cell FXS2 3 Blank Media media WT4 1 media WT4 2 media WT4 3 media FXS1 1 media FXS1 2 media FXS1 3 media FXS2 1 media FXS2 2 media FXS2 3 Factors Sample source:Male Homo sapien Lymphoblastoid cell lines | Genotype:TD Sample source:Male Homo sapien Lymphoblastoid cell lines | Genotype:TD Sample source:Male Homo sapien Lymphoblastoid cell lines | Genotype:TD Sample source:Male Homo sapien Lymphoblastoid cell lines | Genotype:FXS Sample source:Male Homo sapien Lymphoblastoid cell lines | Genotype:FXS Sample source:Male Homo sapien Lymphoblastoid cell lines | Genotype:FXS Sample source:Male Homo sapien Lymphoblastoid cell lines | Genotype:FXS Sample source:Male Homo sapien Lymphoblastoid cell lines | Genotype:FXS Sample source:Male Homo sapien Lymphoblastoid cell lines | Genotype:FXS Sample source:Cell culture lines media | Genotype:media blank with 13C515N2-gln Sample source:Male Homo sapien Lymphoblastoid cell lines media | Genotype:TD Sample source:Male Homo sapien Lymphoblastoid cell lines media | Genotype:TD Sample source:Male Homo sapien Lymphoblastoid cell lines media | Genotype:TD Sample source:Male Homo sapien Lymphoblastoid cell lines media | Genotype:FXS Sample source:Male Homo sapien Lymphoblastoid cell lines media | Genotype:FXS Sample source:Male Homo sapien Lymphoblastoid cell lines media | Genotype:FXS Sample source:Male Homo sapien Lymphoblastoid cell lines media | Genotype:FXS Sample source:Male Homo sapien Lymphoblastoid cell lines media | Genotype:FXS Sample source:Male Homo sapien Lymphoblastoid cell lines media | Genotype:FXS Aspartic acid 170693965.7 173540067 180144927 150048895.7 142885306.5 132839187.8 138700302.2 136748313.4 149890145.5 187579805 330764506.1 443900235.9 326927193.6 283707777.5 258795670.2 243534626.4 317248231.4 273051670.6 287194275.4 Aspartic acid_13C1 60221857.8 46604383.43 49441928.37 45389698.8 49893675.31 46480274.81 73584060.51 66781048.31 73339118.25 0 0 0 0 0 0 0 18388140.99 15530899.79 16254068.32 Aspartic acid_13C2 71734355.83 66924475.03 60449206.41 55427507.38 54252128.9 53855516.82 109846664 100894469.7 105225651.9 0 0 0 0 0 0 0 0 0 0 Aspartic acid_13C3 130730871.4 119724560.8 109359641.6 110646118.1 107028692.4 108413502.7 221383574 203276099.3 213376996.3 0 0 0 0 0 0 0 0 0 0 Aspartic acid_13C4 96967975.17 88734394.62 83837538.15 58832476.35 56175743.78 55878643.63 169840455.3 155440349 160229354.3 0 0 0 0 0 0 0 0 2258626.979 0 Citric acid 63711958.08 79338532.56 96989454.14 70684102.18 77494850.67 65801694.06 52696492.74 52889784.16 60243625.2 137023279.9 209757030.1 289625940.8 213116586.1 194629359.1 178567139 168266395.2 192059474.3 176413979.1 167935842.1 Citric acid_13C1 8600363.858 7847105.114 8378237.688 7868770.518 9826452.831 7808866.312 5854825.605 5473568.984 6437104.602 9525062.189 16257308.78 21255522.39 16233734.33 12778862.22 13990057.12 11669969.73 15595673.63 11047594.9 11679163.94 Citric acid_13C2 5510525.21 5368767.335 6048934.105 7763508.843 9010480.928 8005416.673 6771336.961 5810468.77 5703810.466 1638265.185 3169041.682 3315919.066 2578228.096 2400398.59 2652018.724 1865719.462 3186915.346 1779798.567 2336935.62 Citric acid_13C3 4672688.406 4447614.868 4989434.476 8207277.725 9620083.04 8246210.396 9087785.102 9180061.46 10859373.01 0 0 0 0 0 0 0 0 0 0 Citric acid_13C4 13958948.8 12481739.72 11691764.29 16212588.97 19109883.83 16539858.59 14746970.24 14118355.49 15287638.09 0 2581030.782 2558985.554 1018365.725 1987115.665 1465173.633 1202583.833 1546457.707 1337119.795 1714820.633 Citric acid_13C5 6279656.27 4486420.052 3962508.058 9582944.675 11250552.57 8636465.938 14522869.58 15503718.87 18087731.48 0 954024.2183 0 0 0 335325.2383 0 1450238.986 185518.16 0 Citric acid_13C6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fumaric acid 13153330.81 13777803.06 12544684.41 14933344.06 15292039.79 16309610.4 12971018.89 14338718.68 15286093.35 13188754.89 14637205.75 15878544.89 14003965.49 13174143.84 12992517.59 16070380.64 16199219.08 17103059.25 14734520.73 Fumaric acid_13C1 3561058.041 2587386.218 2649402.653 4609239.249 3694084.669 4788913.975 2774585.445 2842832.65 3319194.305 0 0 0 0 850075.1901 0 6008812.029 0 2143020.589 0 Fumaric acid_13C2 2655919.317 1575868.852 2046339.964 3545676.168 2764242.66 3117847.139 3567743.669 4082176.284 4575658.278 0 0 0 0 1381828.157 341013.2059 10121788.83 0 1550990.538 913506.0781 Fumaric acid_13C3 9771314.186 4398016.748 0 6327560.098 4967120.654 4236265.134 7505987.698 7894293.436 7930127.198 0 0 0 0 0 0 0 0 0 0 Fumaric acid_13C4 10485555.3 10267792.31 9559300.423 14177013.86 12680207.13 14747269.76 19245828.08 21923951.4 19597169.28 0 0 0 866969.6508 0 1276203.456 1674943.159 0 2112707.612 0 Glutamic acid 213958703.5 219147311.3 233504082.2 220303414.2 223139948.2 207291853.8 127588964.4 126648595.4 137119820.9 331423456.4 508916721.6 622573660 478608358 429997539.3 403875192.7 407266031 470527371.3 417966407.2 384986534.6 Glutamate_13C_15N 92543708.1 73868709.69 74302109.87 91524129.18 112106157.7 122292827.4 176006151.5 153760916.3 165224126.9 0 2388724.256 2684454.575 590481.5692 5339116.48 9217877.17 5639647.174 107553995.4 78256536.35 70127570.97 Glutamate_13C1_15N1 53700683.6 43185615.14 46962791.06 51091609.24 53912061.44 48936333.31 36138956.08 32391433.1 37473922.72 0 0 0 0 0 0 0 0 0 0 Glutamate_13C2_15N1 102371872.8 95327108.44 88949334.7 131189415 134153365.5 125806956.4 82606385.41 75749544.19 87188755.51 0 0 0 0 0 0 0 0 0 0 Glutamate_13C3_15N1 75798761.98 66911395.11 69309047.19 76033549.65 85161808.77 79623893.65 73244001.76 66852098.08 73605400.97 0 2413999.001 2265537.13 3606157.265 3117811.491 2256273.286 0 0 3184158.987 4419328.34 Glutamate_13C4_15N1 199446408 176113832.6 175309294.6 282665472.5 307272955.3 284292282.6 226166942.6 217505933.8 237168811.6 0 9238017.008 8253722.956 5947234.052 9789335.688 12135412.57 10225298.68 28280369.56 23884565 22092922.41 Glutamate_13C5_15N1 97774794.8 64396256.96 74302109.87 91524129.18 103771710.7 100068561.2 140928776.5 130474514.9 156193125.4 0 2388724.256 2684454.575 590481.5692 5339116.48 9217877.17 5639647.174 107553995.4 78256536.35 70127570.97 Malic acid 113192110.8 115087293.4 122136552.4 121050867.7 131723827.5 128572946.1 105788279.5 123101592.9 113879180.3 110110659.6 136238695.3 151901483.3 124683476.6 114791973 117553990.8 125409951.4 130077562.4 134682037.1 127175533.2 Malic acid_13C1 16004287.97 13444375.73 12310948.97 20405597.54 17879258.15 21091169.55 12661508.38 16420394.46 15796106.14 0 0 0 3965396.069 4004090.212 3539037.547 9046917.273 2283327.27 8375727.199 5019025.702 Malic acid_13C2 27272686.33 27276575.04 21299259.94 32189319.55 34411227.36 35033215.73 37113502.93 40960335.54 38276546.17 0 0 0 0 0 0 1631579.121 1628918.407 3238758.715 0 Malic acid_13C3 21329705.15 18207544.15 15434536.6 29044085.62 28637793.95 31936605.92 47266611.8 57686696.25 52292846.58 0 0 0 651008.5763 0 0 0 0 5775176.483 0 Malic acid_13C4 81379091.51 65290844.56 60988852.5 92532047.75 100813785.2 102820748.9 147477322.1 154164289.8 154682280.8 0 0 711338.8367 1483493.616 832324.7022 0 854091.0605 1402352.629 1858701.739 1271306.736 Oxaloacetic acid 0 0 0 0 0 0 0 0 0 183119597.2 279396177.1 368369405.3 275559063.4 256473688.2 231394402.9 229969497.5 264501182.8 265927874.6 237701401.4 Oxaloacetic acid_13C1 0 0 0 0 0 0 0 0 0 778735.7719 0 0 983595.8671 0 1510984.858 1033281.189 0 0 1150715.859 Oxaloacetic acid_13C2 0 0 0 0 0 0 0 0 0 700941.3057 0 0 0 0 0 325941.9902 381862.7128 0 0 Oxaloacetic acid_13C3 0 0 0 0 0 0 0 0 0 0 0 0 277020.4435 0 0 0 0 0 0 Oxaloacetic acid_13C4 0 0 0 0 0 0 0 0 0 66853231.92 109829915.8 132945827.3 99051787.84 87999156.67 86423301.5 84323215.02 83979970.52 89768272.65 81162855.71 2-Oxoglutaric acid 0 0 0 0 0 0 0 0 0 0 13692976.72 21002744.55 16300884.11 9014775.571 8015779.394 11871642.21 16283306.46 12716648.38 11009167.57 2-Oxoglutaric acid_13C1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2-Oxoglutaric acid_13C2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2-Oxoglutaric acid_13C3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2-Oxoglutaric acid_13C4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2-Oxoglutaric acid_13C5 0 0 0 0 0 0 0 0 0 0 4468305.129 6296763.877 4414769.334 4097150.992 4688497.176 3870308.047 11835374.79 8889840.067 9411897.554 Succinic acid 12868687.07 16035710.84 21331719.7 15130342 13942908.31 10612232.94 7784372.319 10711112.99 11259961.77 50347768.1 81205844.37 115587239.1 72622443.57 70352304.23 65416433.64 71973463.62 71800183.05 70324942.01 63703119.9 Succinic acid_13C1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinic acid_13C2 6113723.487 7222182.006 6133305.581 4234517.482 5535781.128 4532522.815 9978951.837 8735857.785 8031162.139 0 0 0 0 0 0 0 0 0 0 Succinic acid_13C3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinic acid_13C4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Retention Index Quantified m/z PubChem ID KEGG ID Polarity Aspartic acid 8.6 132.03023 5960 C00049 Negative Aspartic acid_13C1 8.6 133.03359 5960 C00049 Negative Aspartic acid_13C2 8.6 134.03694 5960 C00049 Negative Aspartic acid_13C3 8.6 135.0403 5960 C00049 Negative Aspartic acid_13C4 8.6 136.04365 5960 C00049 Negative Citric acid 10.9 191.01973 311 C00158 Negative Citric acid_13C1 10.9 192.02308 311 C00158 Negative Citric acid_13C2 10.9 193.02644 311 C00158 Negative Citric acid_13C3 10.9 194.02979 311 C00158 Negative Citric acid_13C4 10.9 195.03315 311 C00158 Negative Citric acid_13C5 10.9 196.0365 311 C00158 Negative Citric acid_13C6 10.9 197.03985 311 C00158 Negative Fumaric acid 9.5 115.00368 444972 C00122 Negative Fumaric acid_13C1 9.5 116.00704 444972 C00122 Negative Fumaric acid_13C2 9.5 117.01039 444972 C00122 Negative Fumaric acid_13C3 9.5 118.01375 444972 C00122 Negative Fumaric acid_13C4 9.5 119.0171 444972 C00122 Negative Glutamic acid 8.5 146.0459 33032 C00025 Negative Glutamate_13C_15N 8.5 147.04292 33032 C00025 Negative Glutamate_13C1_15N1 8.5 147.04292 33032 C00025 Negative Glutamate_13C2_15N1 8.5 147.04292 33032 C00025 Negative Glutamate_13C3_15N1 8.5 147.04292 33032 C00025 Negative Glutamate_13C4_15N1 8.5 147.04292 33032 C00025 Negative Glutamate_13C5_15N1 8.5 147.04292 33032 C00025 Negative Malic acid 9.5 133.01425 222656 C00149 Negative Malic acid_13C1 9.5 134.0176 222656 C00149 Negative Malic acid_13C2 9.5 135.02096 222656 C00149 Negative Malic acid_13C3 9.5 136.02431 222656 C00149 Negative Malic acid_13C4 9.5 137.02767 222656 C00149 Negative Oxaloacetic acid 9 130.9986 Negative Oxaloacetic acid_13C1 9 132.00195 Negative Oxaloacetic acid_13C2 9 133.00531 Negative Oxaloacetic acid_13C3 9 134.00866 Negative Oxaloacetic acid_13C4 9 135.01202 Negative 2-Oxoglutaric acid 9.3 145.01425 51 C00026 Negative 2-Oxoglutaric acid_13C1 9.3 146.0176 51 C00026 Negative 2-Oxoglutaric acid_13C2 9.3 147.02096 51 C00026 Negative 2-Oxoglutaric acid_13C3 9.3 148.02431 51 C00026 Negative 2-Oxoglutaric acid_13C4 9.3 149.02767 51 C00026 Negative 2-Oxoglutaric acid_13C5 9.3 150.03102 51 C00026 Negative Succinic acid 8.8 117.01933 1110 C00042 Negative Succinic acid_13C1 8.8 118.02269 1110 C00042 Negative Succinic acid_13C2 8.8 119.02604 1110 C00042 Negative Succinic acid_13C3 8.8 120.0294 1110 C00042 Negative Succinic acid_13C4 8.8 121.03275 1110 C00042 Negative METABOLITES_END #END