#METABOLOMICS WORKBENCH EmilyAnnD28_20251106_142940 DATATRACK_ID:6633 STUDY_ID:ST004339 ANALYSIS_ID:AN007246 PROJECT_ID:PR002751 VERSION 1 CREATED_ON November 11, 2025, 9:51 am #PROJECT PR:PROJECT_TITLE Glutathione-deficiency promotes basal hyperinsulinemia in the insulin secreting PR:PROJECT_TITLE cell line INS-1 (832/13) PR:PROJECT_SUMMARY This study sought to determine the impact of Glutathione (GSH) synthesis on PR:PROJECT_SUMMARY β-cell function. Glutamate-cysteine ligase catalytic subunit (Gclc) is PR:PROJECT_SUMMARY essential for GSH synthesis. To induce GSH deficiency, GCLC was inhibited in PR:PROJECT_SUMMARY INS-1 (832/13) cells using buthionine sulfoximine (BSO). The 24-hour treatment PR:PROJECT_SUMMARY of INS-1 cells with BSO (250 µM) reduced GSH levels to 33% of untreated, PR:PROJECT_SUMMARY however, glucose-stimulated insulin secretion was unchanged. The 24-hour PR:PROJECT_SUMMARY treatment of INS-1 cells with BME-free medium containing BSO further reduced GSH PR:PROJECT_SUMMARY levels to 9% of untreated and elicited significantly higher basal insulin PR:PROJECT_SUMMARY secretion. We sought to determine if higher basal insulin secretion was related PR:PROJECT_SUMMARY to metabolic alteration therefore, we performed a metabolomics screen. This data PR:PROJECT_SUMMARY is presented here. Out of 53 identified metabolites, we found 6 with PR:PROJECT_SUMMARY significantly lower abundance in -BME+BSO as compared to -BME. Those include, PR:PROJECT_SUMMARY adenosine monophosphate, deoxycytidine monophosphate, glucose 1-phosphate, PR:PROJECT_SUMMARY ADP-glucose, thymidine monophostphase, and deoxycytidine diphosphate. PR:INSTITUTE Yale University PR:LAST_NAME Davidson PR:FIRST_NAME Emily PR:ADDRESS 300 Cedar St, S110, New Haven, CT 06510 PR:EMAIL emily.davidson@yale.edu PR:PHONE 8104797570 #STUDY ST:STUDY_TITLE Glutathione-deficiency promotes basal hyperinsulinemia in the insulin secreting ST:STUDY_TITLE cell line INS-1 (832/13) ST:STUDY_SUMMARY This study sought to determine the impact of Glutathione (GSH) synthesis on ST:STUDY_SUMMARY β-cell function. Glutamate-cysteine ligase catalytic subunit (Gclc) is ST:STUDY_SUMMARY essential for GSH synthesis. To induce GSH deficiency, GCLC was inhibited in ST:STUDY_SUMMARY INS-1 (832/13) cells using buthionine sulfoximine (BSO). The 24-hour treatment ST:STUDY_SUMMARY of INS-1 cells with BSO (250 µM) reduced GSH levels to 33% of untreated, ST:STUDY_SUMMARY however, glucose-stimulated insulin secretion was unchanged. The 24-hour ST:STUDY_SUMMARY treatment of INS-1 cells with BME-free medium containing BSO further reduced GSH ST:STUDY_SUMMARY levels to 9% of untreated and elicited significantly higher basal insulin ST:STUDY_SUMMARY secretion. We sought to determine if higher basal insulin secretion was related ST:STUDY_SUMMARY to metabolic alteration therefore, we performed a metabolomics screen. This data ST:STUDY_SUMMARY is presented here. Out of 53 identified metabolites, we found 6 with ST:STUDY_SUMMARY significantly lower abundance in -BME+BSO as compared to -BME. Those include, ST:STUDY_SUMMARY adenosine monophosphate, deoxycytidine monophosphate, glucose 1-phosphate, ST:STUDY_SUMMARY ADP-glucose, thymidine monophostphase, and deoxycytidine diphosphate. ST:INSTITUTE Yale University ST:LAST_NAME Davidson ST:FIRST_NAME Emily ST:ADDRESS 300 Cedar St, S110, New Haven, CT 06510 ST:EMAIL emily.davidson@yale.edu ST:PHONE 8104797570 ST:NUM_GROUPS 2 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 SU:CELL_BIOSOURCE_OR_SUPPLIER Millipore Sigma SU:CELL_STRAIN_DETAILS INS-1 832/13 #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 - b_1 Treatment:BME-free (control) | Sample source:INS-1 cells | Injection order:12 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_b_1.mzML SUBJECT_SAMPLE_FACTORS - b_2 Treatment:BME-free (control) | Sample source:INS-1 cells | Injection order:5 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_b_2.mzML SUBJECT_SAMPLE_FACTORS - b_3 Treatment:BME-free (control) | Sample source:INS-1 cells | Injection order:13 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_b_3.mzML SUBJECT_SAMPLE_FACTORS - b_4 Treatment:BME-free (control) | Sample source:INS-1 cells | Injection order:14 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_b_4.mzML SUBJECT_SAMPLE_FACTORS - b_5 Treatment:BME-free (control) | Sample source:INS-1 cells | Injection order:6 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_b_5.mzML SUBJECT_SAMPLE_FACTORS - bb_6 Treatment:BME-free (BSO) | Sample source:INS-1 cells | Injection order:11 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_bb_6.mzML SUBJECT_SAMPLE_FACTORS - bb_7 Treatment:BME-free (BSO) | Sample source:INS-1 cells | Injection order:10 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_bb_7.mzML SUBJECT_SAMPLE_FACTORS - bb_8 Treatment:BME-free (BSO) | Sample source:INS-1 cells | Injection order:4 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_bb_8.mzML SUBJECT_SAMPLE_FACTORS - bb_9 Treatment:BME-free (BSO) | Sample source:INS-1 cells | Injection order:7 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_bb_9.mzML SUBJECT_SAMPLE_FACTORS - bb_10 Treatment:BME-free (BSO) | Sample source:INS-1 cells | Injection order:3 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_bb_10.mzML SUBJECT_SAMPLE_FACTORS - eb_1 Treatment:extraction blank | Sample source:media | Injection order:1 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_eb_1.mzML SUBJECT_SAMPLE_FACTORS - eb_2 Treatment:extraction blank | Sample source:media | Injection order:9 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_eb_2.mzML SUBJECT_SAMPLE_FACTORS - eb_3 Treatment:extraction blank | Sample source:media | Injection order:16 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_eb_3.mzML SUBJECT_SAMPLE_FACTORS - QC_1 Treatment:quality control | Sample source:INS-1 cells | Injection order:2 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_QC_1.mzML SUBJECT_SAMPLE_FACTORS - QC_2 Treatment:quality control | Sample source:INS-1 cells | Injection order:8 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_QC_2.mzML SUBJECT_SAMPLE_FACTORS - QC_3 Treatment:quality control | Sample source:INS-1 cells | Injection order:15 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_QC_3.mzML SUBJECT_SAMPLE_FACTORS - QC_10_20ev Treatment:MSe | Sample source:INS-1 cells | Injection order:17 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_QC_10_20ev.mzML SUBJECT_SAMPLE_FACTORS - QC_10_30ev Treatment:MSe | Sample source:INS-1 cells | Injection order:18 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_QC_10_30ev.mzML SUBJECT_SAMPLE_FACTORS - QC_20_40ev Treatment:MSe | Sample source:INS-1 cells | Injection order:19 RAW_FILE_NAME(Raw file name)=02222023_HILIC_TOFMS_NEG_QC_20_40ev.mzML #COLLECTION CO:COLLECTION_SUMMARY INS-1 (832/13) cells (#SCC207, Sigma-Aldrich) were cultured as monolayers in CO:COLLECTION_SUMMARY RPMI 1640 medium (#11875, Gibco™) supplemented with 10% (v/v) fetal bovine CO:COLLECTION_SUMMARY serum (#16140-071, Gibco™), antibiotics (10,000 units/mL penicillin and 10 CO:COLLECTION_SUMMARY mg/mL streptomycin) (#15140122, Gibco™), 10mM HEPES (#15630-080, Gibco™), 2 CO:COLLECTION_SUMMARY mM L-glutamine (#35050-061, Gibco™), 1 mM sodium pyruvate (#11360-070, CO:COLLECTION_SUMMARY Gibco™), and 50 µM β-mercaptoethanol (BME) (#M6250, Sigma-Aldrich). CO:SAMPLE_TYPE INS-1 cells #TREATMENT TR:TREATMENT_SUMMARY INS-1 cells (~2.5 million cells per dish) were seeded into 100 mm tissue TR:TREATMENT_SUMMARY culture-treated dishes (#0877222, Corning). After overnight incubation, +BME TR:TREATMENT_SUMMARY medium was aspirated and replaced with 10 mL of experimental medium (-BME or TR:TREATMENT_SUMMARY -BME+BSO medium) for 24 hours. Prior to metabolite extraction, treated cells TR:TREATMENT_SUMMARY underwent a glucose-stimulated insulin secretion assay (2.5mM glucose). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For extraction, cells were washed 2x with 1 mL cold DBPS to remove culture SP:SAMPLEPREP_SUMMARY medium and scrapped from the dish in 1 mL ice-cold acetonitrile:methanol:water SP:SAMPLEPREP_SUMMARY (2:2:1 %v/v/v) and transferred to 1.5 mL centrifuge tubes. Cells were lysed SP:SAMPLEPREP_SUMMARY through three snap-freeze thaw cycles, following centrifugation at 15,000 RPM SP:SAMPLEPREP_SUMMARY for 10 minutes at 4ºC. The supernatants containing soluble metabolites were SP:SAMPLEPREP_SUMMARY transferred to clean 1.5 mL centrifuge tubes and evaporated in a vacuum SP:SAMPLEPREP_SUMMARY concentrator (SPD111V#, Savant) The remaining pellets were processed for total SP:SAMPLEPREP_SUMMARY protein quantification using the Pierce BCA Protein Assay Kit (Thermo Fisher SP:SAMPLEPREP_SUMMARY Scientific). Dry extracts were reconstituted in 100 μL acetonitrile:water (1:1, SP:SAMPLEPREP_SUMMARY %v/v) containing 10 μL of IROA Internal Standard U-13C, 95% (IROA® TrueQuant SP:SAMPLEPREP_SUMMARY IQQ Kit, IROA Technologies™) and centrifuged (10,000 RPM) for 10 minutes at SP:SAMPLEPREP_SUMMARY 4°C (to remove insoluble debris). One hundred μL of the supernatant was SP:SAMPLEPREP_SUMMARY transferred into liquid chromatography-mass spectrometry vials (TrueView LC–MS SP:SAMPLEPREP_SUMMARY Certified, Waters Corporation) for liquid chromatography-mass spectrometry SP:SAMPLEPREP_SUMMARY analysis. Quality Control (QC) samples: 80 μL of the sample supernatant was SP:SAMPLEPREP_SUMMARY removed before the evaporation step. The aliquots were all pooled, sample volume SP:SAMPLEPREP_SUMMARY matched, and aliquots were evaporated to dryness, stored, and reconstituted as SP:SAMPLEPREP_SUMMARY described above. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Waters Acquity I-Class CH:COLUMN_NAME Waters ACQUITY UPLC BEH Amide (100 x 2.1mm,1.7um) CH:SOLVENT_A 100% water; 25 mM ammonium hydroxide; 25 mM ammonium acetate CH:SOLVENT_B 100% acetonitrile CH:FLOW_GRADIENT 95% B (0–0.5 min), 95%-65% B (0.5–7 min), 65–40% B (7–8 min), 40% B CH:FLOW_GRADIENT (8–9 min), 40–95% B (9–9.1 min) and continuing at 95% B (9.1–12.0 min) CH:FLOW_RATE 0.5mL/min CH:COLUMN_TEMPERATURE 30 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Waters Xevo-G2-XS MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Q-ToF–MS scan data (300 ms/scan; mass scan range 50–1200 Da) were first MS:MS_COMMENTS acquired for each sample. Thereafter, MSe fragmentation data were acquired for MS:MS_COMMENTS metabolite identification (low energy scan: 200 ms/scan, collision energy 6 eV; MS:MS_COMMENTS high energy scan: 100 ms/scan, collision energy 10, 20, 30 and 40 eV, mass scan MS:MS_COMMENTS range 25–1000 Da). ESI source parameters were as follows: 1.8 kV capillary MS:MS_COMMENTS voltage, 40 V sampling cone, 50°C source temperature, 420°C desolvation MS:MS_COMMENTS temperature, 80 L/hr cone gas flow, 850 L/hr desolvation gas flow #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS abundance MS_METABOLITE_DATA_START Samples b_1 b_2 b_3 b_4 b_5 bb_6 bb_7 bb_8 bb_9 bb_10 Factors Treatment:BME-free (control) | Sample source:INS-1 cells | Injection order:12 Treatment:BME-free (control) | Sample source:INS-1 cells | Injection order:5 Treatment:BME-free (control) | Sample source:INS-1 cells | Injection order:13 Treatment:BME-free (control) | Sample source:INS-1 cells | Injection order:14 Treatment:BME-free (control) | Sample source:INS-1 cells | Injection order:6 Treatment:BME-free (BSO) | Sample source:INS-1 cells | Injection order:11 Treatment:BME-free (BSO) | Sample source:INS-1 cells | Injection order:10 Treatment:BME-free (BSO) | Sample source:INS-1 cells | Injection order:4 Treatment:BME-free (BSO) | Sample source:INS-1 cells | Injection order:7 Treatment:BME-free (BSO) | Sample source:INS-1 cells | Injection order:3 3-HYDROXYMETHYLGLUTARATE 21519 27296 26568 27419 29217 24832 31906 29286 12485 22260 ADENINE 11862957 14453043 13594314 14893820 14104755 12030736 12512691 13784672 13908227 9735426 ADENOSINE 3',5'-DIPHOSPHATE 2891053 3734248 3541462 3359897 4179661 3342708 2708154 3512273 1860625 2744545 ADENOSINE DIPHOSPHATE RIBOSE 697261.6667 835315.6667 805032.6667 768669.6667 843472.6667 773736.6667 553690.6667 776115.6667 286738.6667 618671.6667 ADENOSINE-MONOPHOSPHATE 834555 1164977 1023030 1195363 1164940 605828 713617 690248 487681 354739 ADP-GLUCOSE 528558.6667 555470.6667 533751.6667 513326.6667 573568.6667 452472.6667 399315.6667 416016.6667 277514.6667 427475.6667 ALLOTHREONINE 51981.66667 618787.6667 216834.6667 385704.6667 613593.6667 118170.6667 315672.6667 393862.6667 164822.6667 141094.6667 AMINOISOBUTANOATE 22570.66667 26319.66667 23694.66667 23634.66667 27299.66667 21845.66667 21340.66667 22273.66667 17312.66667 23100.66667 ANILINE-2-SULFONATE 3138.666667 7408.666667 3686.666667 -1632.333333 3421.666667 3276.666667 -1632.333333 5775.666667 18899.66667 5605.666667 ANSERINE 6564 6804 6499 6561 6657 7110 6283 7946 7737 7896 ASPARAGINE 56439.66667 53092.66667 52906.66667 51980.66667 68475.66667 55230.66667 53039.66667 49641.66667 43085.66667 57475.66667 ASPARTATE 7965653.667 7785234.667 8106260.667 7664897.667 8202651.667 8256721.667 7606978.667 8179519.667 6516387.667 7705730.667 BETA-GLYCEROPHOSPHATE 14290 20166 15586 23175 23728 15613 15559 19170 15207 11455 CARNOSINE 34466.66667 36788.66667 35122.66667 32431.66667 37874.66667 40890.66667 34732.66667 37431.66667 32388.66667 44200.66667 CDP-ETHANOLAMINE 53869 48779 61318 45048 50808 61901 58169 50700 28897 79299 CITICOLINE 39915 26731 26372 33320 37086 34733 38416 29137 25890 30936 CREATININE 16879.33333 17240.33333 15809.33333 14715.33333 20343.33333 15002.33333 22342.33333 16013.33333 17984.33333 18534.33333 CYCLIC AMP 38963 46592 40611 42281 49799 37726 40801 42261 29182 38241 DEOXYADENOSINE TRIPHOSPHATE 84251 100454 93897 90853 102690 90358 69619 83200 47036 77167 DEOXYCYTIDINE MONOPHOSPHATE 40765 47749 43780 49848 52310 36710 35304 40844 28382 30167 DEOXYCYTIDINE-DIPHOSPHATE 15332 18182 17717 18112 17980 14581 14920 15089 13005 15571 DIAMINOPIMELATE 13520 13977 13393 13354 13872 14477 16742 16648 13577 15197 DIHYDROOROTATE 11151 13676 12416 13627 13352 12659 11642 15319 9952 14062 DTDP-D-GLUCOSE 133829 158879 148453 157259 171048 228855 204220 229671 140274 201552 GAMMA-AMINOBUTYRATE 1606513.667 1728766.667 1652924.667 1535247.667 1868591.667 2020345.667 1858378.667 1859575.667 1528603.667 1968915.667 GLUCONATE 6080124 7570004 6466901 6364903 7740268 6581459 5973934 6243586 4131240 6545116 GLUCOSE 1-PHOSPHATE 605230 793362 623359 848126 733011 526328 568471 629322 406000 425766 GLUCOSE 6-PHOSPHATE 306105 291904 284636 286458 233837 279512 263259 258931 207831 304836 GLUTAMATE 9213124 10005486 9062302 9459782 10170021 9595174 10371997 9622641 9640089 9933829 GUANIDINOSUCCINATE 15944.66667 33474.66667 22756.66667 24500.66667 30984.66667 16829.66667 23348.66667 21715.66667 25334.66667 13166.66667 INOSINE 639324 747082 756027 693458 683157 1206416 1142097 920582 509348 1444218 INOSINE MONOPHOSPHATE 171215 173532 152577 169478 201971 161603 168860 156442 118153 143459 ITACONATE 21087 23637 21649 21151 24197 23045 21928 22869 15776 22424 L-ALANINE 58637.66667 74177.66667 68008.66667 69689.66667 68994.66667 68280.66667 65826.66667 76080.66667 47316.66667 63401.66667 MALATE 5162295 5098454 4866691 5040710 5649713 5150479 5023889 5043458 3917105 4812898 N-ACETYLASPARTATE 199268.6667 590444.6667 272605.6667 300929.6667 357721.6667 195292.6667 277387.6667 272826.6667 283028.6667 178255.6667 N-ACETYLNEURAMINATE 260211.3333 288903.3333 245371.3333 252490.3333 365359.3333 261531.3333 226822.3333 220039.3333 186795.3333 260141.3333 N-ACETYLSERINE 1643.666667 1746.666667 -1094.333333 -3304.333333 8044.666667 6762.666667 4658.666667 -2502.333333 -1016.333333 7775.666667 NADP 17959.66667 21497.66667 24140.66667 23239.66667 22795.66667 23367.66667 18794.66667 21685.66667 10713.66667 19679.66667 O-PHOSPHOETHANOLAMINE 365070 412529 379446 390026 465491 413454 388667 416084 257256 349239 O-SUCCINYL-HOMOSERINE 301954 339647 344624 301163 315400 319195 428891 370619 163027 256823 PHOSPHOCREATINE 131003 116292 91413 106932 159558 114005 127394 99766 117377 110152 PTERIN 10090022 8786212 9223210 8064260 10198311 7998900 8046634 6778193 5989587 8419066 PURINE 665695 565916 618631 548464 615184 544584 482890 484138 385897 546116 PYROGLUTAMATE 1315384.667 1501706.667 1530050.667 1468869.667 1587609.667 1164509.667 1736643.667 1837856.667 1527590.667 1367877.667 QUINOLINATE 2716058.333 3427379.333 2987218.333 3670288.333 3924821.333 2431747.333 2865468.333 2949072.333 2940364.333 1935967.333 SALICYLATE 202684.6667 93146.66667 255959.6667 154416.6667 50537.66667 57837.66667 196726.6667 113472.6667 94550.66667 168423.6667 SUCCINATE 83850.66667 100484.6667 81267.66667 74120.66667 104513.6667 112478.6667 113967.6667 115649.6667 91650.66667 131532.6667 TAURINE 9853016.333 10675983.33 9682496.333 9515133.333 10545180.33 9551921.333 9199373.333 9183765.333 8330798.333 9174591.333 THYMIDINE-MONOPHOSPHATE 18687 21578 21236 21739 22330 17897 18016 17410 13649 14672 TRANS-4-HYDROXY-L-PROLINE 9000 10341 8674 11582 13667 9297 13308 13577 7836 10390 URATE 127843 223129 146001 205973 235486 127572 152496 161591 170018 102521 URIDINE MONOPHOSPHATE 4218697.333 5858315.333 4874185.333 5005789.333 5596365.333 4195187.333 4979504.333 4889106.333 3785228.333 4107880.333 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name m/z retention time (min) 3-HYDROXYMETHYLGLUTARATE 161.045547 6.02 ADENINE 134.0472187 2.68 ADENOSINE 3',5'-DIPHOSPHATE 426.0221385 8.12 ADENOSINE DIPHOSPHATE RIBOSE 558.0643972 6.78 ADENOSINE-MONOPHOSPHATE 346.055808 6.88 ADP-GLUCOSE 588.0749619 6.99 ALLOTHREONINE 118.0509667 5.63 AMINOISOBUTANOATE 102.0560521 5.35 ANILINE-2-SULFONATE 172.0073876 0.94 ANSERINE 239.1149639 6.63 ASPARAGINE 131.0462157 6.02 ASPARTATE 132.0302313 6.57 BETA-GLYCEROPHOSPHATE 171.0063982 6.63 CARNOSINE 225.0993139 6.71 CDP-ETHANOLAMINE 445.0531043 7.16 CITICOLINE 487.1000545 7.3 CREATININE 112.0516354 2.73 CYCLIC AMP 328.0452433 4.6 DEOXYADENOSINE TRIPHOSPHATE 489.9935544 8.06 DEOXYCYTIDINE MONOPHOSPHATE 306.04966 7.12 DEOXYCYTIDINE-DIPHOSPHATE 386.0159905 7.83 DIAMINOPIMELATE 189.0880805 7.61 DIHYDROOROTATE 157.0254802 4.71 DTDP-D-GLUCOSE 563.0684796 6.82 GAMMA-AMINOBUTYRATE 102.0560521 5.91 GLUCONATE 195.0510263 6 GLUCOSE 1-PHOSPHATE 259.0224422 7.3 GLUCOSE 6-PHOSPHATE 259.0224422 7.68 GLUTAMATE 146.0458813 6.41 GUANIDINOSUCCINATE 174.0520293 6.46 INOSINE 267.073493 3.44 INOSINE MONOPHOSPHATE 347.0398236 7.26 ITACONATE 129.0193322 5.61 L-ALANINE 88.04040201 5.5 MALATE 133.0142468 6.54 N-ACETYLASPARTATE 174.0407959 6.36 N-ACETYLNEURAMINATE 308.0987047 6.02 N-ACETYLSERINE 146.0458813 4.73 NADP 742.0681759 7.95 O-PHOSPHOETHANOLAMINE 140.0118179 7.45 O-SUCCINYL-HOMOSERINE 218.0670107 6.23 PHOSPHOCREATINE 210.0285306 7.16 PTERIN 162.0421333 2.8 PURINE 119.0363197 1.92 PYROGLUTAMATE 128.0353166 4.81 QUINOLINATE 166.0145812 6.3 SALICYLATE 137.0244176 0.61 SUCCINATE 117.0193322 6.31 TAURINE 124.0073876 4.71 THYMIDINE-MONOPHOSPHATE 321.0493256 6.53 TRANS-4-HYDROXY-L-PROLINE 130.0509667 5.48 URATE 167.0210635 5.33 URIDINE MONOPHOSPHATE 323.0285902 7.12 METABOLITES_END #END