#METABOLOMICS WORKBENCH Xuanli97_20250906_085336 DATATRACK_ID:6390 STUDY_ID:ST004176 ANALYSIS_ID:AN006931 PROJECT_ID:PR002634 VERSION 1 CREATED_ON September 9, 2025, 2:22 pm #PROJECT PR:PROJECT_TITLE Directed Rescue Strategy for Enhanced Implant Osteointegration in Aged Rats PR:PROJECT_SUMMARY Senolytics, which involve the removal of senescent cells from tissues, have PR:PROJECT_SUMMARY emerged as one of the most promising strategies for treating age-related PR:PROJECT_SUMMARY degenerative diseases. In the context of orthopedic treatment, the elimination PR:PROJECT_SUMMARY of senescent cells can also enhance to the osteointegration of implants in PR:PROJECT_SUMMARY elderly patients. However, achieving specific clearance of senescent cells PR:PROJECT_SUMMARY without adversely affecting the function of normal cell remains challenging. To PR:PROJECT_SUMMARY overcome these challenges, we developed a novel implant surface modification PR:PROJECT_SUMMARY technique to achieve specific clearance of locally senescent cells by modulating PR:PROJECT_SUMMARY their metabolism. Our technique also involved modifying implants with BPTES, a PR:PROJECT_SUMMARY glutaminase 1 (GLS1) inhibitor, through π-π stacking with dopamine. This PR:PROJECT_SUMMARY modification effectively induced apoptosis in senescent mesenchymal stem cells PR:PROJECT_SUMMARY (MSCs) through extensive inhibition of GLS1. This effect was attributed to PR:PROJECT_SUMMARY intracellular acidosis resulting from the suppression of glutaminolysis in PR:PROJECT_SUMMARY senescent MSCs. Simultaneously, poly(γ-glutamate) (PGA), modified by a PR:PROJECT_SUMMARY layer-by-layer method, served as a high-density carbon source coating, PR:PROJECT_SUMMARY continuously supporting glutamine metabolism in MSCs without ammonia production. PR:PROJECT_SUMMARY Targeted metabolic analysis revealed that the modified titanium implants PR:PROJECT_SUMMARY significantly altered the metabolic profile of MSCs, enhancing glutamine PR:PROJECT_SUMMARY metabolism, the pentose phosphate pathway (PPP), aerobic glycolysis, and fatty PR:PROJECT_SUMMARY acid oxidation (FAO), which collectively stimulated osteogenic differentiation. PR:PROJECT_SUMMARY In vivo experiments showed that the surface modification significantly reduced PR:PROJECT_SUMMARY the senescence level around implants and promoted osteointegration in aged rats. PR:PROJECT_SUMMARY These findings offer promising insights into the design and application of PR:PROJECT_SUMMARY orthopedic implants for elderly patients. PR:INSTITUTE Chongqing University PR:LABORATORY College of Bioengineering, Chongqing University PR:LAST_NAME Li PR:FIRST_NAME Xuan PR:ADDRESS 174 Shazheng St., Shapingba, Chongqing, 400044, China PR:EMAIL 201919021061@cqu.edu.cn PR:PHONE 15310893373 PR:FUNDING_SOURCE The National Natural Science Foundation of China (Nos. 52333011, 52021004, PR:FUNDING_SOURCE 21734002 and 32171327), State Key Project of Research and Development PR:FUNDING_SOURCE (2022YFB3804400), and the Natural Science Foundation of Chongqing (No. PR:FUNDING_SOURCE cstc2021jcyj-cxttX0002) #STUDY ST:STUDY_TITLE The influence of implants on the central carbon metabolism of mesenchymal stem ST:STUDY_TITLE cells ST:STUDY_SUMMARY In order to determine whether the improved titanium implant can regulate the ST:STUDY_SUMMARY glutamine metabolism of mesenchymal stem cells, the central carbon metabolism ST:STUDY_SUMMARY levels of each group were analyzed. ST:INSTITUTE Chongqing University ST:LABORATORY College of Bioengineering, Chongqing University ST:LAST_NAME Li ST:FIRST_NAME Xuan ST:ADDRESS 174 Shazheng St., Shapingba, Chongqing, 400044, China ST:EMAIL 201919021061@cqu.edu.cn ST:PHONE 15310893373 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Rattus norvegicus SU:GENOTYPE_STRAIN wild type SU:AGE_OR_AGE_RANGE 4 weeks old SU:GENDER Male SU:CELL_BIOSOURCE_OR_SUPPLIER Primary cells from Rattus norvegicus SU:CELL_STRAIN_DETAILS mesenchymal stem cell (bone) SU:CELL_PRIMARY_IMMORTALIZED Non-immortalized cells SU:CELL_PASSAGE_NUMBER Passage 3 SU:CELL_COUNTS 0.5*10^7 cells #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 - R1-1 Sample source:MSCs Primary cells | Culture substrate:Ti RAW_FILE_NAME(raw data file)=Hc14LX_R1_1.mzML SUBJECT_SAMPLE_FACTORS - R1-2 Sample source:MSCs Primary cells | Culture substrate:Ti RAW_FILE_NAME(raw data file)=Hc14LX_R1_2.mzML SUBJECT_SAMPLE_FACTORS - R1-3 Sample source:MSCs Primary cells | Culture substrate:Ti RAW_FILE_NAME(raw data file)=Hc14LX_R1_3.mzML SUBJECT_SAMPLE_FACTORS - R2-1 Sample source:MSCs Primary cells | Culture substrate:MT RAW_FILE_NAME(raw data file)=Hc14LX_R2_1.mzML SUBJECT_SAMPLE_FACTORS - R2-2 Sample source:MSCs Primary cells | Culture substrate:MT RAW_FILE_NAME(raw data file)=Hc14LX_R2_2.mzML SUBJECT_SAMPLE_FACTORS - R2-3 Sample source:MSCs Primary cells | Culture substrate:MT RAW_FILE_NAME(raw data file)=Hc14LX_R2_3.mzML SUBJECT_SAMPLE_FACTORS - R3-1 Sample source:MSCs Primary cells | Culture substrate:BPTES@MNT RAW_FILE_NAME(raw data file)=Hc14LX_R3_1.mzML SUBJECT_SAMPLE_FACTORS - R3-2 Sample source:MSCs Primary cells | Culture substrate:BPTES@MNT RAW_FILE_NAME(raw data file)=Hc14LX_R3_2.mzML SUBJECT_SAMPLE_FACTORS - R3-3 Sample source:MSCs Primary cells | Culture substrate:BPTES@MNT RAW_FILE_NAME(raw data file)=Hc14LX_R3_3.mzML SUBJECT_SAMPLE_FACTORS - R4-1 Sample source:MSCs Primary cells | Culture substrate:BPTES@MNT/PGA RAW_FILE_NAME(raw data file)=Hc14LX_R4_1.mzML SUBJECT_SAMPLE_FACTORS - R4-2 Sample source:MSCs Primary cells | Culture substrate:BPTES@MNT/PGA RAW_FILE_NAME(raw data file)=Hc14LX_R4_2.mzML SUBJECT_SAMPLE_FACTORS - R4-3 Sample source:MSCs Primary cells | Culture substrate:BPTES@MNT/PGA RAW_FILE_NAME(raw data file)=Hc14LX_R4_3.mzML #COLLECTION CO:COLLECTION_SUMMARY MSCs were seeded onto different samples and cultured at 37°C under 5% CO₂. CO:COLLECTION_SUMMARY The culture medium was replaced with fresh medium every two days. After 7 days CO:COLLECTION_SUMMARY of culture, all cells were collected. CO:SAMPLE_TYPE Mesenchymal stem cells CO:COLLECTION_METHOD Cells were harvested via trypsin digestion. The cells were centrifuged at 500 × CO:COLLECTION_METHOD g and collected into a 15 mL centrifuge tube. After discarding the supernatant, CO:COLLECTION_METHOD the cell pellet was resuspended in 10 mL of pre-cooled PBS and centrifuged for CO:COLLECTION_METHOD washing (repeated 3 times). The cell pellet was then resuspended in 1 mL PBS, CO:COLLECTION_METHOD and the cell concentration was accurately quantified. 0.5 × 10^7 cells were CO:COLLECTION_METHOD transferred to a 1.5 mL centrifuge tube, centrifuged at 500 × g for 5 min, and CO:COLLECTION_METHOD the supernatant was completely removed. The cell pellet was flash-frozen in CO:COLLECTION_METHOD liquid nitrogen and stored at −80°C. CO:COLLECTION_LOCATION Room 416, Cell Laboratory, School of Bioengineering, Chongqing University CO:COLLECTION_FREQUENCY 5 times CO:COLLECTION_DURATION 1 h CO:VOLUMEORAMOUNT_COLLECTED 0.5 * 10^7 cells CO:STORAGE_CONDITIONS -80℃ CO:COLLECTION_VIALS 15 mL centrifuge tube CO:STORAGE_VIALS 1.5 mL centrifuge tube CO:COLLECTION_TUBE_TEMP 4 #TREATMENT TR:TREATMENT_SUMMARY Befere the collection, the cells were cultured on the surface of different TR:TREATMENT_SUMMARY substrates for 7 days as a treatment step. Ti means titanium foils which were TR:TREATMENT_SUMMARY purchased from Alfa Aesar Co. (Tianjin, China). MT was fabricated from Ti via TR:TREATMENT_SUMMARY acid etching. Briefly, the titanium was sequentially treated with 3 wt% TR:TREATMENT_SUMMARY hydrofluoric acid at room temperature for 2 min and then immersed in 66 wt% TR:TREATMENT_SUMMARY sulfuric acid at 80 °C for 5 min. The obtained MT was rinsed thoroughly by TR:TREATMENT_SUMMARY ultrasonic. Subsequently, MT was immersed in 3 % APTES solution (toluene as TR:TREATMENT_SUMMARY solvent) for 24 h, and then washed thoroughly for further use. BPTES@MNT was TR:TREATMENT_SUMMARY obtained by one-step polymerization of dopamine. Briefly, MT-NH2 was placed in a TR:TREATMENT_SUMMARY mixed solution (VTris-HCl buffer (10 mM, pH 8.5): VDMSO = 1:1) containing TR:TREATMENT_SUMMARY dopamine (1 mg/mL), CaCl2 (0.05 mg/mL), BPTES (0.05 mg/mL) and 1 % APS. The TR:TREATMENT_SUMMARY reaction mixture was under continuous shaking (40 rpm) at room temperature TR:TREATMENT_SUMMARY overnight and avoid light. The obtained samples were rinsed thoroughly with DI TR:TREATMENT_SUMMARY water. Subsequently, PGA coating was modified on the substrate of BPTES@MNT by TR:TREATMENT_SUMMARY layer-by-layer method. In short, the samples were alternately immersed into Chi TR:TREATMENT_SUMMARY (0.5 w/v%) and PGA (1 w/v%) solution (two repeats). The samples were sterilized TR:TREATMENT_SUMMARY with ultraviolet irradiation or prepared under an aseptic environment for TR:TREATMENT_SUMMARY subsequent in vitro and in vivo experiments. TR:TREATMENT different culture substrates TR:TREATMENT_COMPOUND Ti (R1), MT(R2), BPTES@MNT(R3), and BPTES@MNT/PGA(R4) TR:TREATMENT_ROUTE the cells were seeded in the different substrate (The sterile titanium substrate TR:TREATMENT_ROUTE (different groups) was placed in a petri dish to fully cover the base) TR:TREATMENT_VEHICLE Ti (R1) TR:CELL_STORAGE Primary cells TR:CELL_GROWTH_CONTAINER Cell Culture Dishes (Φ100mm) TR:CELL_GROWTH_CONFIG spindle-shaped or elongated TR:CELL_INOC_PROC The sterile titanium substrate (different groups) was placed in a petri dish to TR:CELL_INOC_PROC fully cover the base. Third-passage MSCs (0.5*10^6) were seeded on the titanium TR:CELL_INOC_PROC surface, followed by the addition of fresh culture medium. The cells were TR:CELL_INOC_PROC cultured at 37°C under 5% CO₂ atmosphere, and the medium was replaced with TR:CELL_INOC_PROC fresh medium every two days. TR:CELL_MEDIA DMEM Medium(Low Glucose, with 10 % fetal bovine serum) TR:CELL_ENVIR_COND incubated at 37 °C under 5 % CO2 atmosphere TR:CELL_HARVESTING trypsin digestion TR:CELL_PCT_CONFLUENCE 90 % TR:CELL_MEDIA_LASTCHANGED one day before collection #SAMPLEPREP SP:SAMPLEPREP_SUMMARY In this experiment, a certain mass of the sample was precisely measured. Then, SP:SAMPLEPREP_SUMMARY the sample was added to the extraction solution (tissues, cells and other SP:SAMPLEPREP_SUMMARY samples need to be ground first) in a low-temperature environment for metabolite SP:SAMPLEPREP_SUMMARY extraction treatment. Standard solutions of different concentrations were SP:SAMPLEPREP_SUMMARY prepared. The standard solutions and the sample to be tested were subjected to SP:SAMPLEPREP_SUMMARY LC-MS analysis under the same conditions. The detailed steps are as follows: SP:SAMPLEPREP_SUMMARY 0.5*10^7 cells were combined with 10 μL of internal standard solution SP:SAMPLEPREP_SUMMARY (containing 5 μg/mL succinate-D4, 5 μg/mL L-carnitine-D3, 20 μg/mL SP:SAMPLEPREP_SUMMARY cholicacid-D4 and 30 μg/mL salicylic acid-D4), 50 μL of methanol solution SP:SAMPLEPREP_SUMMARY (methanol: water = 1:1, fisher) and 140 μL of acetonitrile. Then the SP:SAMPLEPREP_SUMMARY mixed solution was vortexed for 1 min and sonicated for 30 min at 4 °C. SP:SAMPLEPREP_SUMMARY After sonication, the sample was centrifuged at 14000 rcf for 20 min at SP:SAMPLEPREP_SUMMARY 4 °C, and 100 μL of supernatant was collected. 25 μL of 3-NPH HCL (200 SP:SAMPLEPREP_SUMMARY mM) and 25 μL of EDC HCL (120 mM, containing 6 % pyridine) were added, and then SP:SAMPLEPREP_SUMMARY the mixed solution was vortexed for 30 s and placed into a constant temperature SP:SAMPLEPREP_SUMMARY oscillator for 40 min at 60 °C. Finally, the sample was centrifuged at 14000 g SP:SAMPLEPREP_SUMMARY for 20 min at 4 °C, and the supernatant was collected for analysis. SP:PROCESSING_STORAGE_CONDITIONS 4℃ SP:EXTRACT_STORAGE 4℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Targeted metabolites were analyzed using liquid chromatography-electrospray CH:CHROMATOGRAPHY_SUMMARY ionization-tandem mass spectrometry (LC-ESI-MS/MS). Central carbon metabolites CH:CHROMATOGRAPHY_SUMMARY analysis was performed using the ExionLC AD system (SCIEX) with a Waters HSS T3 CH:CHROMATOGRAPHY_SUMMARY column ( 2.1*150 mm,1.8 μm) coupled to the QTRAP 6500+ (SCIEX). CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME ExionLC AD system CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (150 x 2.1mm,1.8um) CH:SOLVENT_A 100% water; 0.03 % formic acid CH:SOLVENT_B 100% methanol; 0.03 % formic acid CH:FLOW_GRADIENT 0min 99%A; 2min 99%A; 8min 78%A; 12min 78%A; 13min 60%A; 17min 35%A; 19min 35%A; CH:FLOW_GRADIENT 20min 0%A; 21min 0%A; 21.01min 99%A; 22min 99%A CH:FLOW_RATE 0.4ml/min CH:COLUMN_TEMPERATURE 40 CH:INTERNAL_STANDARD 5 μg/mL succinate-D4, 5 μg/mL L-carnitine-D3, 20 μg/mL cholicacid-D4 and 30 CH:INTERNAL_STANDARD μg/mL salicylic acid-D4 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 6500+ QTrap MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Mass spectrometry analysis was set in positive mode. The temperature was set to MS:MS_COMMENTS 550 °C, curtain gas was maintained at 35 psi, collision gas was set to MS:MS_COMMENTS medium, and both ion source gas 1 and 2 were set to 55 psi. Ion-spray voltage MS:MS_COMMENTS was set to 4500 V. In the Sciex quantitative software OS, the default MS:MS_COMMENTS parameters were used to automatically identify and integrate each ion fragment, MS:MS_COMMENTS with manual checks as an auxiliary. A linear regression standard curve was MS:MS_COMMENTS plotted using the ratio of the mass spectrometry peak area of the analyte to the MS:MS_COMMENTS internal standard peak area as the vertical coordinate and the concentration of MS:MS_COMMENTS the analyte as the horizontal coordinate. Sample concentration calculation: The MS:MS_COMMENTS ratio of the mass spectrometry peak area of the analyte to the internal standard MS:MS_COMMENTS peak area was substituted into the linear equation to calculate the MS:MS_COMMENTS concentration result. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ng/ml MS_METABOLITE_DATA_START Samples R1-1 R1-2 R1-3 R2-1 R2-2 R2-3 R3-1 R3-2 R3-3 R4-1 R4-2 R4-3 Factors Sample source:MSCs Primary cells | Culture substrate:Ti Sample source:MSCs Primary cells | Culture substrate:Ti Sample source:MSCs Primary cells | Culture substrate:Ti Sample source:MSCs Primary cells | Culture substrate:MT Sample source:MSCs Primary cells | Culture substrate:MT Sample source:MSCs Primary cells | Culture substrate:MT Sample source:MSCs Primary cells | Culture substrate:BPTES@MNT Sample source:MSCs Primary cells | Culture substrate:BPTES@MNT Sample source:MSCs Primary cells | Culture substrate:BPTES@MNT Sample source:MSCs Primary cells | Culture substrate:BPTES@MNT/PGA Sample source:MSCs Primary cells | Culture substrate:BPTES@MNT/PGA Sample source:MSCs Primary cells | Culture substrate:BPTES@MNT/PGA L-Carnitine 99.33497 97.20174 101.72629 106.37091 108.37034 105.84671 69.58987 68.3395 72.45888 108.08118 102.54513 113.43493 Phosphoryl choline 1617.88865 1832.94291 1716.08888 1487.04452 1568.95023 1589.06118 1607.2658 1658.71398 1553.04099 1848.05208 1879.03882 1993.37936 5'-Guanylic acid 3.52877 1.32799 2.04296 5.07032 3.274 4.56502 3.83374 3.30558 4.59399 4.36681 7.31225 4.52437 Glucose 5602.98746 6617.48924 5077.24825 5245.65668 5328.71209 5257.63966 1736.56461 1633.37275 1485.39911 1645.79391 2194.96423 2293.87913 Glyceric acid 13.32366 11.7041 11.92725 15.59051 18.31612 16.82868 11.28668 12.57747 12.13271 18.19029 14.89178 19.42914 Galactose 1-phosphate 6745.29202 6924.34089 6833.09824 5247.4517 5679.51162 5193.76441 3322.58934 3574.06401 3487.57287 2877.83191 3821.46777 4049.74528 Lactose 0 0 0 0 0 0 0 0 0 0 0 0 Xylose 1735.08651 1736.79263 1660.19714 1720.27399 1712.82667 1727.31902 1006.72412 1186.72794 1217.68476 1381.43343 1567.05678 1728.75663 Galactose 90.58345 107.66997 89.01072 56.9219 67.61384 62.03794 36.85017 31.80708 38.53649 40.53747 39.06812 36.63799 L-Rhamnose 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinic acid 9.82318 10.95099 12.36307 7.95294 7.49725 7.42003 9.69607 10.39682 11.06634 6.05282 6.71387 7.16302 Glyceraldehyde 62.27745 57.90385 55.28463 56.46942 55.76937 51.64018 40.31036 37.54981 41.23752 34.0873 35.01895 44.38697 Gluconic acid 936.3061 1004.70272 990.56481 982.54277 1097.43104 946.22544 1406.80998 1355.09835 1445.34935 1416.23837 1298.34411 1632.29064 Itaconic acid 0.32422 0.4345 0.77267 0.24697 0.54443 0.32782 0.27463 0.19096 0.21178 0.08445 0.09397 0.09822 cis-Aconitic acid 2.53322 3.12756 2.45726 3.18947 3.85575 3.17527 2.81537 2.63861 2.36398 1.88504 4.22109 3.5203 Isocitric acid 0.50549 0.18998 0.26837 0.53006 0.38538 1.031 0.69742 0.51811 0.6351 0.12642 0.62445 0.27313 Succinic acid 2.20202 2.61933 1.53068 2.87582 2.27733 2.28851 3.37703 3.5742 3.74657 4.10988 3.39916 3.42506 Malic acid 410.98088 349.77888 376.57967 476.40793 487.59996 487.48011 183.39545 196.99031 216.95938 513.61616 363.35179 437.16406 Adenosine 5'-monophosphate 39.0435 41.45185 41.34523 36.81686 46.5106 37.84178 41.39973 47.41977 40.80638 85.48237 52.06532 74.35246 3-Phosphoglyceric acid 11.44575 13.33159 10.28362 10.93693 9.37382 11.89874 11.1084 10.28034 12.06189 11.06719 10.30446 12.71924 2-Ketoglutaric acid 5.45886 4.50108 4.52761 4.04176 4.8726 3.74786 3.25617 3.93814 3.23126 5.33422 4.77511 5.65416 Glucose 1-phosphate 698.07462 614.74668 579.75769 563.55498 601.43426 551.07152 192.21241 253.37012 245.32753 222.84207 281.74173 304.1339 2-Deoxy-D-glucose 0 0 0 0 0 0 0 0 0 0 0 0 Fructose 878.74636 1150.39221 1019.46481 1013.99319 1215.8759 1149.45161 598.79508 643.65265 545.31262 623.46675 698.74495 785.72373 Melibiose 0 0 0 0 0 0 0 0 0 0 0 0 L-Fucose 40.70692 44.45637 41.76974 60.26295 52.32404 55.60129 44.93187 55.62261 47.40772 72.60864 70.73165 87.60911 Glucosamine 6-phosphate 18.50478 17.83455 21.47239 16.83122 16.89578 15.41106 9.89516 9.7624 10.09629 7.9956 10.06004 9.48195 Fumaric acid 131.43514 111.93672 107.2441 167.0831 177.2956 171.05471 67.35358 72.81646 78.91633 185.83315 130.4502 151.86615 Fructose 6-phosphate 4637.18767 5025.95117 5544.1887 3606.86892 4196.89422 3421.03121 1884.0698 2628.00981 2262.3382 1962.18188 2535.21363 2617.7691 Glucose 6-phosphate 5711.58213 6478.72293 6866.36531 4552.37754 5087.00375 4365.51674 2509.02871 3040.53337 2774.48966 2373.06567 3039.83852 3246.43503 Pyruvic acid 831.31045 677.17715 719.32392 795.7102 892.7184 895.14797 546.57899 537.85358 580.83464 1003.71719 860.35354 1014.05934 Citric acid 63.46854 92.3883 74.77366 97.23533 117.18396 118.70714 83.23816 84.60014 89.65865 26.94972 104.96241 93.89668 Glyoxylic acid 6.57541 8.66906 7.97165 9.78474 11.27943 8.67152 9.96646 8.57283 8.00383 11.80291 11.55806 14.39339 N-acetyl-D-glucosamine 334.94055 358.826 388.53775 392.10767 380.36487 417.87689 240.34577 281.27625 255.53628 259.79307 310.09386 335.66678 Pantothenic acid 73.38662 73.83698 73.46305 70.02343 72.68382 74.2212 57.38248 61.70111 61.416 83.52695 89.39491 86.86619 Uridine 5'-monophosphate 7.09694 8.07203 8.48954 6.47057 8.10169 6.74724 5.6994 5.65624 4.91208 8.51907 6.08872 6.75734 Ribose 5-phosphate 427.70972 593.01537 422.05588 327.35724 383.80845 315.02823 263.93483 310.59832 257.12113 200.21324 203.30568 233.68496 Glucaric acid 1.99737 3.13253 2.12953 2.10372 2.81622 2.9689 2.95568 3.64493 2.21132 2.30678 2.7911 3.89496 Mevalonic acid 0 0 0 0 0 0 0 0 0 0 0 0 Trehalose 6-phosphate 0 0 0 0 0 0 0 0 0 0 0 0 Glycolic acid 4.17684 3.63806 4.42238 4.30281 4.90571 4.46937 3.74401 3.93044 3.88706 4.58432 3.27309 4.20159 Isonicotinic acid 0 0 0 0 0 0 0 0 0 0 0 0 Ethylmalonic acid 0 0 0 0 0 0 0 0 0 0 0 0 Oxalic acid 8.39235 8.69011 8.17012 8.06644 7.89876 6.97979 6.76537 7.46185 8.20481 9.66806 11.4234 11.35497 Lipoic acid 0.49999 0.3846 0.394 0.22646 0.23623 0.2214 0.27696 0.25504 0.21918 0.14181 0.13285 0.09877 2-Isopropylmalic acid 0 0 0 0 0 0 0 0 0 0 0 0 3-Aminoisobutanoic acid 0.31582 0.34621 0.34023 0.23318 0.22552 0.25725 0.23213 0.17619 0.23784 0.13837 0.1557 0.14155 Malonic acid 1.99021 0.55486 0.61849 0.84996 0.72522 0.76741 0.75412 0.773 0.76547 0.71635 0.73456 0.90585 Methylmalonic acid 1.21523 1.7803 1.5349 0.66628 0.73431 0.9564 1.55405 1.59861 2.02995 1.33215 1.72227 1.5159 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name L-Carnitine Phosphoryl choline 5'-Guanylic acid Glucose Glyceric acid Galactose 1-phosphate Lactose Xylose Galactose L-Rhamnose Nicotinic acid Glyceraldehyde Gluconic acid Itaconic acid cis-Aconitic acid Isocitric acid Succinic acid Malic acid Adenosine 5'-monophosphate 3-Phosphoglyceric acid 2-Ketoglutaric acid Glucose 1-phosphate 2-Deoxy-D-glucose Fructose Melibiose L-Fucose Glucosamine 6-phosphate Fumaric acid Fructose 6-phosphate Glucose 6-phosphate Pyruvic acid Citric acid Glyoxylic acid N-acetyl-D-glucosamine Pantothenic acid Uridine 5'-monophosphate Ribose 5-phosphate Glucaric acid Mevalonic acid Trehalose 6-phosphate Glycolic acid Isonicotinic acid Ethylmalonic acid Oxalic acid Lipoic acid 2-Isopropylmalic acid 3-Aminoisobutanoic acid Malonic acid Methylmalonic acid METABOLITES_END #END