#METABOLOMICS WORKBENCH boryana_ptrva_20240116_133357 DATATRACK_ID:4579 STUDY_ID:ST003083 ANALYSIS_ID:AN005041 PROJECT_ID:PR001918 VERSION 1 CREATED_ON February 16, 2024, 10:54 am #PROJECT PR:PROJECT_TITLE Metabolomics of Mouse Embryonic CSF Following Maternal Immune Activation PR:PROJECT_SUMMARY The embryonic cerebrospinal fluid (eCSF) is critical for the developing central PR:PROJECT_SUMMARY nervous system (CNS), from neurogenesis to lifelong cognitive functions. Changes PR:PROJECT_SUMMARY in eCSF composition due to inflammation can impact brain function. We recently PR:PROJECT_SUMMARY identified an abnormal cytokine signature in eCSF following maternal immune PR:PROJECT_SUMMARY activation (MIA), a mouse model of autism spectrum disorder (ASD). We PR:PROJECT_SUMMARY hypothesized that MIA leads to other alterations in eCSF composition and PR:PROJECT_SUMMARY employed untargeted metabolomics to profile changes in the eCSF metabolome in PR:PROJECT_SUMMARY mice after inducing MIA with polyI:C. We report these data here as a resource, PR:PROJECT_SUMMARY including a comprehensive MS1 and MS2 reference dataset, and present additional PR:PROJECT_SUMMARY datasets comparing two mouse strains (CD-1 and C57Bl/6) and two developmental PR:PROJECT_SUMMARY time points (E12.5 and E14.5). Targeted metabolomics further validated changes PR:PROJECT_SUMMARY in eCSF upon MIA. We show a significant elevation of glucocorticoids and PR:PROJECT_SUMMARY kynurenine pathway related metabolites. Both pathways are relevant for PR:PROJECT_SUMMARY suppressing inflammation or could be informative as disease biomarkers. Our PR:PROJECT_SUMMARY resource should inform future mechanistic studies regarding the etiology of MIA PR:PROJECT_SUMMARY neuropathology and roles and contributions of eCSF metabolites to brain PR:PROJECT_SUMMARY development. PR:INSTITUTE Boston Childrens Hospital PR:LAST_NAME Petrova PR:FIRST_NAME Boryana PR:ADDRESS 300 Longwood Av, Boston, MA, 2115, USA PR:EMAIL boryana.petrova@childrens.harvard.edu PR:PHONE 6173557433 #STUDY ST:STUDY_TITLE Metabolome changes in embryonic CSF (Part 5) ST:STUDY_SUMMARY Targeted MS analysis of embryonic CSF at E14.5, 48 hours after Saline or PolyI:C ST:STUDY_SUMMARY injected into mother. ST:INSTITUTE Boston Children's Hospital, Harvard Medical School ST:LABORATORY Kanarek Lab ST:LAST_NAME Petrova ST:FIRST_NAME Boryana ST:ADDRESS Enders 1116.2 300 Longwood Ave ST:EMAIL Boryana.Petrova@childrens.harvard.edu ST:PHONE 6179197352 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #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 - 1 Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_blank_end2; Sample source information=blank SUBJECT_SAMPLE_FACTORS - 2 Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_blank_end1; Sample source information=blank SUBJECT_SAMPLE_FACTORS - 3 Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_BP384_pool01x; Sample source information=pool 374-389 01x SUBJECT_SAMPLE_FACTORS - 4 Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_BP383_pool03x; Sample source information=pool 374-389 03x SUBJECT_SAMPLE_FACTORS - 5 Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_BP382_pool1x_c; Sample source information=pool 374-389 1x SUBJECT_SAMPLE_FACTORS - 6 Sample source:technical mock no CSF | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_BP381_mock; Sample source information=technical mock no CSF SUBJECT_SAMPLE_FACTORS - 7 Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_blank_mid; Sample source information=blank SUBJECT_SAMPLE_FACTORS - 8 Sample source:polyI C | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_BP375; Sample source information=polyI C - 0 SUBJECT_SAMPLE_FACTORS - 9 Sample source:polyI C | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_BP379; Sample source information=polyI C - 2 SUBJECT_SAMPLE_FACTORS - 10 Sample source:polyI C | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_BP376; Sample source information=polyI C - 1 SUBJECT_SAMPLE_FACTORS - 11 Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_BP382_pool1x_b; Sample source information=pool 374-389 1x SUBJECT_SAMPLE_FACTORS - 12 Sample source:saline | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Time:48 hours | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_BP378; Sample source information=saline - 3 SUBJECT_SAMPLE_FACTORS - 13 Sample source:polyI C -3 swap | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_BP380; Sample source information=polyI C -3 swap SUBJECT_SAMPLE_FACTORS - 14 Sample source:saline | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Time:48 hours | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_BP377; Sample source information=saline - 1 SUBJECT_SAMPLE_FACTORS - 15 Sample source:saline | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Time:48 hours | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_BP374; Sample source information=saline - 0 SUBJECT_SAMPLE_FACTORS - 16 Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_BP384_pool01x_a; Sample source information=pool 374-389 01x SUBJECT_SAMPLE_FACTORS - 17 Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_BP382_pool1x_a; Sample source information=pool 374-389 1x SUBJECT_SAMPLE_FACTORS - 18 Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_blank_start2; Sample source information=blank SUBJECT_SAMPLE_FACTORS - 19 Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_blank_end2; Sample source information=blank SUBJECT_SAMPLE_FACTORS - 20 Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_blank_end1; Sample source information=blank SUBJECT_SAMPLE_FACTORS - 21 Sample source:technical mock no CSF | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_BP381; Sample source information=technical mock no CSF SUBJECT_SAMPLE_FACTORS - 22 Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_BP373; Sample source information=blank sample SUBJECT_SAMPLE_FACTORS - 23 Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_blank_mid1; Sample source information=blank SUBJECT_SAMPLE_FACTORS - 24 Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_BP426_pool01x_b; Sample source information=pool 407-423 01x SUBJECT_SAMPLE_FACTORS - 25 Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_BP425_pool03x; Sample source information=pool 407-423 03x SUBJECT_SAMPLE_FACTORS - 26 Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_BP424_pool1x_d; Sample source information=pool 407-423 1x SUBJECT_SAMPLE_FACTORS - 27 Sample source:saline | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Time:48 hours | Additional Adjustments:diluted to lowest concentration in the set RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_BP417_saline; Sample source information=saline - 0 SUBJECT_SAMPLE_FACTORS - 28 Sample source:saline | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Time:48 hours | Additional Adjustments:diluted to lowest concentration in the set RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_BP420_saline; Sample source information=saline - 1 SUBJECT_SAMPLE_FACTORS - 29 Sample source:polyI C | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_BP418_treated; Sample source information=polyI C - 0 SUBJECT_SAMPLE_FACTORS - 30 Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_BP424_pool1x_c; Sample source information=pool 407-423 1x SUBJECT_SAMPLE_FACTORS - 31 Sample source:polyI C | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:diluted to lowest concentration in the set RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_BP419_treated; Sample source information=polyI C - 1 SUBJECT_SAMPLE_FACTORS - 32 Sample source:polyI C 3 swap | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:diluted to lowest concentration in the set RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_BP423_treated; Sample source information=polyI C 3 swap SUBJECT_SAMPLE_FACTORS - 33 Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_BP424_pool1x_b; Sample source information=pool 407-423 1x SUBJECT_SAMPLE_FACTORS - 34 Sample source:saline | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Time:48 hours | Additional Adjustments:diluted to lowest concentration in the set RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_BP421_saline; Sample source information=saline - 3 SUBJECT_SAMPLE_FACTORS - 35 Sample source:polyI C | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:diluted to lowest concentration in the set RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_BP422_treated; Sample source information=polyI C - 2 SUBJECT_SAMPLE_FACTORS - 36 Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_BP426_pool01x_a; Sample source information=pool 407-423 01x SUBJECT_SAMPLE_FACTORS - 37 Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_BP424_pool1x_a; Sample source information=pool 407-423 1x SUBJECT_SAMPLE_FACTORS - 38 Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_blank_start2; Sample source information=blank SUBJECT_SAMPLE_FACTORS - 39 Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20201014_QEF1_HILIC_CSFrerun_adjusted_blank_start1; Sample source information=blank SUBJECT_SAMPLE_FACTORS - 40 Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- RAW_FILE_NAME=20200924_QEF1_HILIC_CSFJinNew_blank_start1; Sample source information=blank #COLLECTION CO:COLLECTION_SUMMARY All animal studies were performed under the protocol approved by the CO:COLLECTION_SUMMARY Institutional Animal Care and Use Committee (IACUC) of Boston Children’s CO:COLLECTION_SUMMARY Hospital (BCH). All mice were housed in a 12h light-dark cycle with ad libitum CO:COLLECTION_SUMMARY access to food and water. CSF, eCSF, was collected from the cisterna magna of CO:COLLECTION_SUMMARY the pup embryos and mother, and centrifuged at 5,000g for 10 min. at 4 °C to CO:COLLECTION_SUMMARY remove any tissue debris. CSF samples were kept on ice and analyzed the same day CO:COLLECTION_SUMMARY as collection. CO:SAMPLE_TYPE Cerebrospinal fluid #TREATMENT TR:TREATMENT_SUMMARY For polyI:C experiments: Pregnant female mice were injected intraperitoneally TR:TREATMENT_SUMMARY (route of administration) with a single dose of 20 mg/kg polyI:C (sigma aldrich) TR:TREATMENT_SUMMARY and controls will receive an injection of 0.9% saline embryonic day 12.5-14.5. TR:TREATMENT_SUMMARY Samples were collected either 3hrs or 48hrs post injection. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Per condition, 5uL of maternal serum, CSF, were extracted by brief sonication in SP:SAMPLEPREP_SUMMARY 200/100μl (serum/csf) 80% methanol, supplemented with isotopically labeled SP:SAMPLEPREP_SUMMARY internal standards (17 amino acids and reduced glutathione, Cambridge Isotope SP:SAMPLEPREP_SUMMARY Laboratories, MSK-A2-1.2 and CNLM-6245-10). 10uL Embryonic CSF (eCSF) was SP:SAMPLEPREP_SUMMARY extracted per condition using the previously described buffer quantity, and the SP:SAMPLEPREP_SUMMARY flash frozen liver chunks were extracted in 300uL of the previously described SP:SAMPLEPREP_SUMMARY buffer. After centrifugation for 10min. at maximum speed on a benchtop SP:SAMPLEPREP_SUMMARY centrifuge (Eppendorf) the cleared supernatant from CSF and eCSF was dried using SP:SAMPLEPREP_SUMMARY a nitrogen dryer. Samples were reconstituted in LCMS water by brief sonication. SP:SAMPLEPREP_SUMMARY Extracted metabolites were spun again and cleared supernatant was transferred in SP:SAMPLEPREP_SUMMARY LC-MS microvials. Serum followed the same protocol, except that an additional SP:SAMPLEPREP_SUMMARY 20-minute centrifugation was administered, and homogenization for 5 minutes. SP:SAMPLEPREP_SUMMARY Final LCMS water reconstitution values for tissue type were 50uL (maternal and SP:SAMPLEPREP_SUMMARY embryonic serum), 15uL (maternal CSF and eCSF),. A small amount of each sample SP:SAMPLEPREP_SUMMARY was pooled and serially diluted 3 and 10-fold to be used as quality controls SP:SAMPLEPREP_SUMMARY throughout the batch run. Two microliters (equivalent to 0.2 ul of CSF) of SP:SAMPLEPREP_SUMMARY reconstituted sample were injected into a ZIC-pHILIC 150 × 2.1 mm SP:SAMPLEPREP_SUMMARY (5 µm particle size) column (EMD Millipore) operated on a Dionex UltiMate SP:SAMPLEPREP_SUMMARY 3000 UPLC system (Thermo Fisher Scientific). Chromatographic separation was SP:SAMPLEPREP_SUMMARY achieved using the following conditions: buffer A was acetonitrile; buffer B was SP:SAMPLEPREP_SUMMARY 20 mM ammonium carbonate, 0.1% ammonium hydroxide. Gradient conditions were: SP:SAMPLEPREP_SUMMARY linear gradient from 20% to 80% B; 20–20.5 min: from 80% to 20% B; 20.5–28 SP:SAMPLEPREP_SUMMARY min: hold at 20% B. The column oven and autosampler tray were held at 25 °C SP:SAMPLEPREP_SUMMARY and 4 °C, respectively. The MS data acquisition was on a QExactive benchtop SP:SAMPLEPREP_SUMMARY orbitrap mass spectrometer equipped with an Ion Max source and a HESI II probe SP:SAMPLEPREP_SUMMARY and was performed in a range of m/z= 70–1000, with the resolution set at SP:SAMPLEPREP_SUMMARY 70,000, the AGC target at 1x106, and the maximum injection time (Max IT) at 20 SP:SAMPLEPREP_SUMMARY msec. For tSIM scans, the resolution was set at 70,000, the AGC target was SP:SAMPLEPREP_SUMMARY 1x105, and the max IT was 100 msec. Relative quantitation of polar metabolites SP:SAMPLEPREP_SUMMARY was performed with TraceFinder 4.1 (Thermo Fisher Scientific) using a 5 ppm mass SP:SAMPLEPREP_SUMMARY tolerance and referencing an in-house library of chemical standards. Pooled SP:SAMPLEPREP_SUMMARY samples and fractional dilutions were prepared as quality controls and only SP:SAMPLEPREP_SUMMARY those metabolites were taken for further analysis, for which the correlation SP:SAMPLEPREP_SUMMARY between the dilution factor and the peak area was >0.95 (high confidence SP:SAMPLEPREP_SUMMARY metabolites). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY ZIC-pHILIC CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME SeQuant ZIC- pHILIC (150 x 2.1mm, 5um) CH:SOLVENT_A 100% acetonitrile CH:SOLVENT_B 100% water; 20mM ammonium carbonate, 0.1% ammonium hydroxide CH:FLOW_GRADIENT 0-20 min: linear gradient from 20% to 80% B; 20–20.5 min: from 80% to 20% B; CH:FLOW_GRADIENT 20.5–28 min: hold at 20% B. CH:FLOW_RATE 0.150mL/minute 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 UNSPECIFIED MS:MS_COMMENTS HESI #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS a.u. MS_METABOLITE_DATA_START Samples 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 Factors Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:technical mock no CSF | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:polyI C | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:- Sample source:polyI C | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:- Sample source:polyI C | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:saline | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Time:48 hours | Additional Adjustments:- Sample source:polyI C -3 swap | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:- Sample source:saline | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Time:48 hours | Additional Adjustments:- Sample source:saline | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Time:48 hours | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:technical mock no CSF | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:saline | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Time:48 hours | Additional Adjustments:diluted to lowest concentration in the set Sample source:saline | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Time:48 hours | Additional Adjustments:diluted to lowest concentration in the set Sample source:polyI C | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:polyI C | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:diluted to lowest concentration in the set Sample source:polyI C 3 swap | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:diluted to lowest concentration in the set Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:saline | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Time:48 hours | Additional Adjustments:diluted to lowest concentration in the set Sample source:polyI C | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:diluted to lowest concentration in the set Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- anthranilic_acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F proline-13C5-15N N/F N/F 41684740 119032627 279185613 316410329 N/F 320639678 264980510 245356605 294346967 309618810 315718907 314431575 252796024 50708054 261201401 N/F N/F N/F 575577712 1059209513 N/F 44014339 193812375 617461543 369845063 503136403 555425255 662941847 269433936 486801962 178972309 156362827 170457547 36055080 430163040 N/F N/F N/F folic_acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N-acetylcysteine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F dCytidine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 55108 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 369346 N/F N/F N/F 1010139 N/F N/F N/F H2PteGlu N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F carnitine N/F N/F 604336214 N/F 4469732730 N/F N/F 4295898000 5217057185 5464145672 4513006024 4336107637 3570667231 3930461308 4393830836 836295478 N/F N/F N/F N/F 1227592 835860 N/F 310125781 1049043163 3296641659 2064701494 2486227048 2786128262 3492970546 2149794592 2111591781 1079161834 791670529 1363108742 253555022 2838516064 N/F N/F N/F biotin N/F N/F 519552 1692357 8444636 N/F N/F 9357483 10634619 8038573 8826882 7057325 8609073 8180659 9205836 659604 7521700 N/F N/F N/F N/F N/F N/F 1109934 5770582 21493696 19513011 15265468 20550343 22655127 13596720 18164079 5964055 4696911 10599549 949577 13628836 N/F N/F N/F adenine N/F N/F N/F N/F 1189233 N/F N/F 1960469 2290228 1227201 1502719 574326 2575632 N/F 1426724 N/F 837615 N/F N/F N/F N/F 724593 N/F N/F N/F 4130046 3089593 2288335 2617984 4151278 3615146 2571562 810143 N/F 2518275 N/F 2244418 N/F 83648 N/F glycine N/F N/F 60289 258014 2218089 64524 N/F 2500172 2675684 2781309 2257138 1863568 1561533 2158562 1902228 55263 1966009 N/F N/F N/F 197104 665850 N/F N/F 186121 926735 420448 458686 704821 729314 529336 439490 323889 271821 222064 N/F 393440 N/F N/F N/F amidoadipate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F guanine N/F N/F 12349423 33220006 76016560 N/F N/F 84301609 94020716 78682414 80635156 70425454 90934462 83033661 79265721 16736008 76739834 N/F N/F N/F 71244 53547 N/F 8517145 21826306 59091953 64432237 81552895 78423662 61448648 50685103 76974648 22088196 24205832 35010337 3929562 35225498 N/F N/F N/F homocitrulline N/F N/F 3387984 11658204 31972029 N/F N/F 26525309 36856109 18662338 33679433 53339786 22357544 29531079 28644422 4848108 30097197 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 26138991 N/F N/F N/F N/F N/F N/F 2-hydroxyglutarate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F gamma-aminobutyric_acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F cysteic_acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F adenosine N/F N/F 840499 2304801 6472911 N/F N/F 3738453 5266003 3330044 7343263 8291060 11186817 9929075 3272020 870488 8015340 N/F N/F 129516 671086 N/F 56315 88791 551825 1756810 2269246 84060 92214 1612785 403057 179603 315770 169561 2311651 53587 1362288 43564 N/F N/F hydroxyproline_gammaALA N/F N/F 2328985 6936260 20595441 86163 N/F 24264971 25314268 15414014 21776927 25664351 17796689 19984159 21200462 2963021 21405927 N/F N/F N/F 88211 157550 N/F 1937466 4885706 13094606 11438324 12892421 15421699 14058050 7789292 11111663 8822541 10224666 8315391 N/F 8864643 N/F N/F N/F Pyridoxal N/F N/F 10215574 24670649 54821621 N/F N/F 56866142 58404695 30453779 51152010 51607156 43669543 39819931 46457897 7336593 36809101 N/F N/F N/F N/F N/F N/F 20109513 68617371 232946604 211699252 274601526 236488464 238614939 110740250 240573329 70304392 88273197 137135653 16393565 145923530 N/F N/F N/F Itaconic Acid N/F N/F 6513616 18514231 64343663 56244253 N/F 43419939 58380281 57475240 57931094 70588534 64932090 64046437 54599670 7455074 51752501 N/F N/F N/F 53387808 65847170 N/F 4703126 15411898 43028620 34023895 51015149 53525747 48850029 34181696 50221776 21417668 19740388 24365903 3330835 34202979 N/F N/F N/F histidine-13C6-15N3 N/F 47832 214482 1019703 265511507 278511399 591582 292611212 262519420 231214853 280519667 328861605 317854413 320200686 262221214 511394 264628264 N/F N/F N/F N/F N/F N/F 6265115 30270932 85528990 243929 196131294 22510965 105279 107951783 197527809 21796531 60338814 73132045 4084136 N/F N/F N/F N/F cis-aconitate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F "1,4-BUTANEDIAMINE_13C4" N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F phenylalanine-13C9-15N N/F N/F 14105387 46598333 157033351 172824050 N/F 167271781 143531460 128528338 153521881 166063271 172114532 173399671 140456208 19223828 155293266 N/F N/F N/F 661496217 1290327155 N/F 27108172 158588340 623508883 315133411 325008586 493867909 636195021 257321985 425471617 209068150 177439375 171034978 26351400 424336234 N/F N/F N/F orotate 52851 N/F 3472654 10787267 27439741 185822 N/F 30643120 37271817 30002021 32785012 34251329 33863259 N/F 38853865 4911559 30487733 N/F N/F N/F 426216 8772270 45871 2938495 8523211 18312824 16010335 16781109 17995100 21930187 10621733 14287476 5111114 4249479 11369813 3033104 17014156 N/F N/F N/F dimethylglicine N/F N/F 5847563 19473969 61500599 N/F N/F 66417278 64104089 46810848 60205179 64033813 65508396 51778755 63323289 7690256 54721577 N/F N/F N/F N/F N/F N/F N/F 34353353 N/F 79992139 66816406 98644288 88178223 39079137 56190742 13767047 12089327 37248622 6463235 63637470 N/F N/F N/F cytidine N/F N/F 6324947 21108380 90115578 N/F N/F 94196764 118713799 85687177 91498138 73525650 92807292 83335048 99934944 8959266 79283566 N/F N/F N/F 42688 362316 N/F 13065961 62869261 221969993 201755323 163218699 216826997 234918373 143048286 189066556 61970283 48689585 113295494 10846070 143789840 N/F N/F N/F IMP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F L-TRYPTOPHAN_13C11 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F H4PteGlu N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F allantoin N/F N/F 4678145 10143643 19172298 N/F N/F 21344842 18539680 14854929 18904335 21149126 19911533 19667042 19585782 5655401 18259456 N/F N/F N/F N/F N/F N/F 691183 2216807 4216108 2468153 2637202 2854795 4477756 1610992 2999629 2595286 2398892 1419477 485514 2393241 N/F N/F N/F 2-hydroxybutyric_acid N/F N/F 1117636 3046175 12227614 N/F N/F 11980770 13331711 7533305 11730634 20741831 8313348 N/F 13227127 N/F N/F N/F N/F N/F N/F 255436 N/F N/F N/F N/F 11654270 N/F N/F N/F N/F N/F N/F 21773524 3423600 642347 N/F N/F N/F N/F lysine-13C6-15N2 N/F N/F 8366393 18913560 43508415 106305946 N/F 47480238 38265151 35804505 41784115 43858055 46562934 44767334 34812642 8892497 38304892 N/F N/F N/F 42293682 81764733 N/F 3403886 15861433 48419614 N/F 41959956 41909287 131568 20690713 42524758 20541638 18382891 N/F 2170250 24476433 N/F N/F N/F NADH N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F cytosine N/F N/F 9820270 36099447 159662893 N/F N/F 171375528 205150473 149111843 159245993 128131405 163667310 149128353 180586897 16696066 144998014 N/F N/F N/F N/F N/F N/F 9563021 52341609 216469517 188246128 149370189 215197550 N/F 129920518 176765836 49427770 38210284 98886045 8831390 131902298 N/F N/F N/F PALMITATE_U-13C16 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F fumarate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F dCTP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Cys_Ell N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 28253 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F CoA-Ellmans_unc N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F FUMARIC ACID_13C4 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F serine-13C3-15N N/F N/F 374070 1886185 7204298 10462422 N/F 8424438 6410731 5784766 7241076 7202028 7666461 7930191 6033997 421027 6112733 N/F N/F N/F 4769696 10662858 N/F 165611 1122758 4956724 2683990 3748951 4678484 4810243 1850600 4430271 1868046 1910091 1171472 76191 2468562 N/F N/F N/F Alpha-Ketoglutarate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 16980665 N/F N/F N/F N/F 5088483 N/F N/F N/F N/F N/F N/F N/F pseudouridine_unc N/F N/F 8062617 19766001 40142969 N/F N/F 37404169 41141893 31939427 40994019 43559157 41108974 48967001 40334682 11594137 37717319 N/F N/F N/F N/F 124471 N/F 18208253 37492726 58663118 41701557 53804952 41930466 68712289 29918793 46199630 35490564 25189837 21338704 10965671 39732345 N/F N/F N/F valine-13C5-15N N/F N/F 3155174 10789183 35589460 34078309 N/F 38169872 32539870 29314148 36119731 39513149 38496661 38726067 32003491 3923459 33241698 N/F N/F N/F 95104095 173937085 N/F 4543278 24162378 83085528 49271281 61391348 74073689 89569128 37076660 66071710 29529403 24412683 26271384 4194555 55478611 N/F N/F N/F dihydroxyacetone_phosphate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F pyruvate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F quinolinic_acid N/F N/F 1610800 3527154 8762205 271132 N/F 9725248 11017713 7640034 9452214 8087672 10047130 9057656 7007907 2209201 9923646 N/F N/F N/F N/F N/F N/F 327881 629905 3035648 2912817 5526537 6518502 4045867 2547027 5566415 1293010 1729277 2911795 N/F 2432908 N/F N/F N/F histidine N/F 586034 217298361 687802286 1966698376 9042290 8733732 1849489831 2433290524 2442821991 2054003194 2280829393 1451418518 1893962363 1832687446 315559213 1851140325 N/F N/F N/F N/F 2121485 N/F 79728434 351757438 929560440 974327537 1054412989 1106469203 946154650 1033702852 662002671 267034230 417255288 631999849 42969343 586536285 N/F 394371 N/F dATP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F NAD+ N/F N/F N/F 45798 343230 N/F N/F 72462 333079 983933 285370 130346 133788 150788 97862 N/F 233236 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 58860 N/F N/F 266307 191264 N/F 20263 186693 N/F N/F N/F N/F N/F indolelactate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 243148 900605 646634 478878 684483 386696 412250 882587 80700 277684 619967 51171 707522 N/F N/F N/F kynurenine N/F N/F 1722140 6455898 23333602 N/F N/F 27101708 29947096 23932994 25117902 24206634 21296845 21447702 19365562 2578955 24579343 N/F N/F N/F N/F N/F N/F 1743447 6490293 22122621 21273808 26152430 42491214 23243953 21267262 24481700 8657858 14364219 16378036 1053752 13683691 N/F N/F N/F threonine-13C4-15N N/F N/F 2342065 10441641 31117772 71540927 N/F 37801592 27234132 28312664 32768753 33804479 43071912 38066775 26849968 3113993 30830121 N/F N/F N/F 68759138 130037371 N/F 1794294 11114220 35817525 22647420 33950867 36102404 35898728 18140094 36504661 14721402 12885193 10618544 1436337 20916408 N/F N/F N/F valine N/F N/F 15416063 62484219 290447290 N/F 29833690 259232932 260374128 254361403 303743918 280650641 200199169 257765837 300190854 N/F 271643198 N/F N/F N/F N/F N/F 6572024 43509476 110484698 403000559 507294264 394687652 551467957 482535637 242007760 343283841 118701136 148356022 225440417 13628896 286611407 24470636 N/F N/F phosphocholine N/F N/F 18324828 78654570 311878816 N/F N/F 330982575 341675983 369046377 310358294 227526937 301473100 293282822 241228772 23012531 254643523 N/F N/F N/F N/F 580984 N/F 4038003 18098925 74868440 63721762 95683661 102599245 81621845 79093935 91905372 21675922 20960588 47549283 2997656 N/F N/F N/F N/F sarcosine N/F N/F 57922036 162319711 346607977 N/F N/F 384163092 390383699 333526965 350864244 356586855 315659133 341551747 368803735 75029869 342641006 N/F N/F N/F 149699 420699 N/F 31424600 126491182 353949174 329351935 326424206 383503926 363787235 218845482 270943164 107599388 107549883 138689938 18472270 213381600 N/F N/F N/F cystathionine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 14894 N/F N/F N/F N/F N/F N/F N/F 19879 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F NICOTINAMIDE_13C6 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F arginine N/F N/F 1177786691 2253198681 3898180331 3256954 7987599 3483532774 4179706064 4547983431 3716869194 3449011134 2896971960 3018964521 3603098178 1200683630 3185532665 N/F N/F N/F 1130305 412367 N/F 268363658 888039043 2024266608 2163975503 2021277931 2306672232 1986663417 2010961664 1726566095 563827813 711805399 980119365 120593712 724011782 30572 63382 N/F glycerate N/F N/F 64715429 185481333 461357315 370585105 N/F 421039124 420906000 392010271 442428723 492288870 490792624 496772874 427159887 85628594 431488874 N/F N/F N/F 8118763 190620600 N/F 2272387 11517184 41302936 1430395 N/F 19446543 N/F 1217106 1562102 26646326 22845290 12827441 2043460 79101683 N/F N/F N/F sorbitol N/F N/F 1185000 3318113 8527668 N/F N/F 8786825 8909212 6855421 N/F N/F N/F 311312 7464694 1597204 7937477 N/F N/F N/F N/F N/F N/F N/F N/F 1175780 1636106 2407903 2176077 1706463 1894946 5338761 748133 N/F 1934320 N/F N/F N/F N/F N/F glucose N/F N/F N/F 22415221 63301432 N/F N/F 49000413 56841055 78744903 112951280 141385331 120109635 78092809 105840310 5624812 114618452 N/F N/F N/F N/F N/F N/F 3426075 7106504 14167267 16417088 27850989 19967710 14279173 10100688 19833329 6947019 15068427 7581589 1354904 7224869 N/F N/F N/F citrulline 618213 635385 29142433 79865461 206349499 1047943 687697 223884364 242631409 188421924 208258367 216834038 185162403 170121943 180070693 32882552 167759463 1868755 N/F N/F N/F 548825 149064 7518915 38216837 176587552 105732169 134250853 179425044 179831430 83313928 135204433 57416367 60293268 69384032 5426423 97205362 77757 N/F N/F N-acetylglutamate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F INDOLE-3-ACETIC ACID N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F taurine N/F N/F 8605282 24896914 81684415 N/F N/F 76466597 88987866 112318738 82854819 96670996 47599031 80369529 87582815 10328687 84571656 N/F N/F N/F N/F N/F N/F 12903650 28628201 82894886 75938969 83314213 76049234 86697477 94766771 53103729 59788972 67611970 38748841 7159420 48455213 N/F N/F N/F GSSG-13C4_15N2 N/F N/F 166305 944461 3119297 3636894 N/F 3887647 3264697 2566585 2839058 3377763 3417871 3158397 2846389 243009 2984380 N/F N/F N/F 2226539 3628426 N/F N/F 499976 1895975 1199339 2023622 1821758 2074485 1023852 2053479 1189973 1225806 924469 N/F 1365585 N/F N/F N/F "CITRIC ACID_1,5,6-CARBOXYL-13C3" N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F CDP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F asymmetric dimethylarginine N/F N/F 93198382 285635070 778871236 N/F N/F 630501539 776078583 717256689 739765565 874454782 493073095 720767920 824893063 140286750 728443389 N/F N/F N/F N/F N/F N/F 20219487 63810587 188754966 211494808 245511500 221484747 192304831 140067855 134499285 42220075 59383988 94700255 9236177 82784650 N/F N/F N/F proline N/F N/F 128843304 374363579 935231195 N/F N/F 936166385 1160665780 1133917320 975812461 1085646290 555579512 794466552 1100806042 159419164 878058690 N/F N/F N/F N/F N/F N/F 76257448 370243347 1276196870 1413812231 1159047120 1490804118 1410796441 1079321667 780800734 301141372 400505499 618284090 58553495 871319855 N/F N/F N/F UTP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N-acetylaspartate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N-acetylserine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 22857 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F UMP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 52487 136317 184056 227686 231156 208030 168983 143220 107118 56697 79874 N/F 79784 N/F N/F N/F GSH N/F N/F 526476 6877551 21747310 N/F N/F 13657540 35053474 47816705 27042199 36887678 20534541 33746880 7947983 1705078 26606221 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F homocysteine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N-alpha-acetyllysine N/F N/F N/F 8040162 15883917 1089337 N/F 16335583 16719442 13240208 17327919 16874340 16792856 18545070 15388207 2734011 14052120 N/F N/F N/F N/F N/F N/F N/F 2400968 9148992 6989715 10821090 11057097 9748506 4908306 8329924 2115869 1835171 3492180 N/F 7745819 N/F N/F N/F p-aminobenzoate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F inosine N/F N/F 997732 2342111 5872335 N/F N/F 6785519 5395559 5778808 5540948 4083415 6190552 5763412 5511764 1182131 4779723 N/F N/F N/F N/F N/F N/F 2527210 5377307 17467618 13805842 18686526 17462732 18546878 11201277 18684112 8245487 5062489 6568476 1192238 12091033 N/F N/F N/F Acetyl CoA N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F asparagine N/F N/F 2419673 N/F 109065741 329978 N/F 90341032 123492216 123588864 112308192 142458209 68995716 116809855 107110237 3199968 100757789 N/F N/F N/F 180107 53868 N/F 1206863 7547199 32808322 42800685 53713756 51522191 32134436 35945317 34416365 14042491 25710691 16284741 848740 17569145 N/F N/F N/F ADP N/F N/F N/F N/F 39519 N/F N/F N/F 87318 171200 29573 41017 N/F N/F N/F N/F 44801 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F anserine N/F N/F 133826 538544 2194240 N/F N/F 2906269 3091002 3174048 3027580 2488312 2929078 2131265 1597697 201263 2286179 N/F N/F N/F N/F N/F N/F N/F 556410 1204413 1604712 2167072 3490550 1371557 2793818 2518043 488263 740907 1483637 N/F 801054 N/F N/F N/F thiamine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Butyrylcarnitine N/F N/F 16278544 56394746 168498596 N/F N/F 158599857 205200115 229023438 170369692 126553812 149374038 149857975 173561912 24095420 172084380 N/F N/F N/F N/F N/F N/F 7043132 22796816 88429386 63707985 80022288 87499497 92827064 81505757 71292138 29586930 21496399 59828102 7207566 92094038 N/F N/F N/F mannose N/F N/F 10390769 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F "THYMINE_1,3-15N2" N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F acetylcarnitine N/F 89597 147951748 428337284 1110260106 N/F N/F 1152675614 1295902053 1457907620 1130079827 831748119 1100317502 1031447448 1053267145 208198932 1170279027 46786 N/F N/F N/F 290976 N/F 93238877 303533625 995047440 528891787 676667453 810606524 1073862123 624930305 641654265 315285801 193553202 452732130 95045786 904204158 N/F N/F N/F propionylcarnitine N/F N/F 4764315 17121617 52231085 N/F N/F 48506604 63756157 86543674 52748558 34448575 42783200 45751745 52469366 6948918 54835404 N/F N/F N/F N/F N/F N/F 3328209 9996450 36952800 18753465 21112149 20491525 41465380 26309071 17831278 11825709 5940091 15345737 2613753 44387642 N/F N/F N/F 3-methyl-2-oxopentanoic_acid N/F N/F 1429097 7989875 27897753 N/F N/F 25171586 31058569 24954654 26947196 26591165 24868395 30016224 27943356 3004548 25949355 N/F N/F N/F 233317 N/F N/F N/F 2413234 10160552 11721426 18211195 20494790 11419131 10745474 11623146 8447222 9305770 10559067 N/F 7131151 N/F N/F N/F ADP-ribose N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F alanine N/F N/F 58837841 162319711 346607977 N/F N/F 384356034 390628483 334012385 350620061 356742543 316117104 342097558 368803735 74842808 342641006 N/F N/F N/F 762137 2056544 N/F 31424600 126254185 353949174 328889938 326793941 383503926 363283156 219571493 272222130 107387552 107356624 138754173 18472270 215013194 N/F N/F N/F O-phosphoethanolamine N/F N/F 97382 918165 3322103 N/F N/F 3446960 3096011 4063857 3174076 2948449 2983593 3390719 2648634 98839 2723057 N/F N/F N/F N/F N/F N/F 91288 898745 2578810 2057771 3634002 3346050 2922526 3328762 3080070 2532548 2464499 1718290 123227 1755691 N/F N/F N/F 2-aminobutyric_acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GSH_13C2-15N-Ellmans N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F saccharopine_unc N/F N/F N/F 258015 894465 N/F N/F 1422150 974488 671844 964020 704513 1079012 985270 919261 N/F 960750 N/F N/F N/F N/F N/F N/F N/F N/F 356898 375708 519212 742305 306541 205480 508607 126086 124075 151843 N/F N/F N/F N/F N/F cystine N/F N/F 692354 2337223 8921857 N/F N/F 10887680 11211088 8559777 9055011 9873140 5888273 7083455 11253278 799067 8480194 N/F N/F N/F N/F N/F N/F N/F 104351 66046 N/F N/F N/F N/F 135845 N/F N/F N/F N/F N/F N/F N/F N/F N/F uric acid N/F N/F 10560589 21135464 32789942 N/F N/F 40536405 34497894 36247304 34541055 27983837 33520151 31282455 33164920 12696545 33343848 N/F N/F N/F N/F N/F N/F 12091953 29647349 60778671 44541788 49061641 56597082 66445221 39258825 50221701 26426730 18442945 20467037 6440876 31722417 N/F N/F N/F carnosine N/F N/F 193177 757620 3444745 N/F N/F 4745830 5117707 3120487 3372881 3302742 3584443 2889152 3365736 322143 3161190 N/F N/F N/F N/F N/F N/F 40762 699006 2367191 2050678 2272167 3550361 2786023 1338837 2443355 787370 741658 1268127 N/F 1344244 N/F N/F N/F N-acetylornithine N/F N/F N/F N/F N/F N/F N/F N/F N/F 1703632 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 1560075 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Succinylacetone N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GSSG N/F N/F N/F 293498 1246220 N/F N/F 1401069 1693772 1922208 1233248 833535 1157793 958418 1354701 81948 1142482 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F "glutamate-13C5,15N" N/F N/F 542045 1926581 5812886 5270666 N/F 6221497 5046480 5157482 6163691 7408376 5873479 7323504 5485465 822263 5754889 N/F N/F N/F 10266971 23694839 N/F 1588285 5353243 13437049 7642064 10835439 10501655 14330580 7021645 10437500 9279865 7132987 4602658 928729 8583634 N/F N/F N/F PRPP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F "ETHANOLAMINE_1,1,2,2-D4" N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F phosphoenolpyruvate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 3-ureidopropionate N/F N/F 2000496 6834509 16398884 N/F N/F 21649262 17128943 12592642 16712550 17603367 15944044 15232463 16221954 2507296 13591475 N/F N/F N/F 50260 N/F N/F N/F N/F 140463 N/F N/F 162597 112874 56677 242317 N/F 46316 44007 N/F 145603 N/F N/F N/F Glycerophosphocholine 236148 91548 20752554 68686863 188364194 266473 214666 244879739 207004898 206084252 194181211 164280000 205213586 171580480 161928205 27655281 167837739 223576 448211 345873 3128600 3562125 845598 13339939 76255432 325155010 234205441 306458887 435867300 375236760 201637629 358479102 97609077 86134955 125308017 8486829 218557183 551898 274553 84523 gamma-glutamyl-alanine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F hypotaurine N/F N/F N/F 134515 1332720 N/F N/F 1560641 942177 1959778 1328954 798473 865705 1172283 832555 N/F 1062276 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 98478 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Riboflavin N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N-acetylglutamine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F uridine N/F N/F 3231995 9678629 26920762 N/F N/F 21963506 32993019 29713808 28133925 20911723 27835173 25142554 30019531 4375982 23868796 N/F N/F N/F N/F N/F N/F 1104859 2698578 6116643 5240537 5207281 5047621 6829235 3769504 4804970 1886190 1668096 3201065 487756 2744450 N/F N/F N/F 3-hydroxyisobutyric_acid N/F N/F 2071467 8769998 25509758 N/F N/F 15614647 23379978 28309029 24257590 15536160 27861485 19193602 32034098 N/F 25253637 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 508676 N/F N/F N/F N/F N/F N/F N/F N/F N/F L-LEUCINE_13C6 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F cysteine_13C3_15N1 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Phenylacetyl glutamine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 4-Hydroxyphenylpyruvic acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Coenzyme A N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GDP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Cholic acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F citrate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 18015318 15420690 N/F 26504253 317017412 1327317460 1048492233 1630389533 1610255147 1452671983 771888005 1484947068 305252955 332736620 609732353 44912783 448887785 N/F N/F N/F serine N/F N/F 3270107 13762527 50798676 327835 N/F 50643901 56545336 49894687 50788721 57028879 23192903 49359848 51232303 3990350 44934314 N/F N/F N/F 477469 2197142 N/F 910746 5535038 25090443 23425083 22614087 26441460 24602260 18708612 20066501 9755996 14496162 10256140 692729 12561412 N/F N/F N/F succinyl-CoA N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F AICAR N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F homocysteic_acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F alanine-13C3-15N N/F N/F 689263 2474899 6898252 15762962 N/F 8237888 6632686 6344937 7116537 7386867 8628103 8725609 5858148 849654 6880175 N/F N/F N/F 13428002 25344031 N/F 523918 3128664 9834572 5426571 8256431 7858787 10172259 4577932 8919703 3902009 3158807 2320872 348859 5289058 N/F N/F N/F ascorbate_unc N/F N/F 3339044792 6814639360 14137910587 13359049264 N/F 14698930243 13303695099 12642735825 14287191940 15185316061 15198566286 15777343580 13662516770 4271875648 13911392344 N/F N/F N/F 15912989 6699565 N/F N/F N/F N/F N/F N/F 140614448 N/F N/F N/F N/F N/F N/F 945779 N/F N/F N/F N/F leucine N/F N/F 21978297 81605114 318093251 N/F N/F 279753494 369296658 344076874 322839095 341851574 258785355 311854367 345651624 31388711 325812215 N/F N/F N/F N/F N/F N/F 21556214 84183562 294811097 287642802 285897711 305583424 305742503 263802053 226281806 115883075 145994616 196427104 16265116 213709724 N/F N/F N/F creatinine N/F N/F N/F 134756619 389591563 N/F N/F 428301839 398866009 N/F N/F N/F 447451867 423001737 N/F 55001788 382679042 N/F N/F N/F N/F N/F N/F N/F 174199727 554817873 438616596 510261114 605539543 569462378 291424076 N/F 144597398 176231535 227612038 N/F 349360012 N/F N/F N/F SODIUM PALMITATE_U-13C16 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F UDP-GlcNAc N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 65907 76312 162720 N/F N/F 207201 N/F 59944 N/F N/F N/F N/F N/F N/F N/F S-Adenosyl-L-methionine N/F N/F 8914653 23484736 61493972 N/F 165939 65607497 70250417 53509809 65533689 67342577 67406633 71293642 59715967 12528888 49281075 N/F N/F N/F N/F N/F N/F N/F 18394105 N/F N/F N/F N/F 54764780 N/F 50009878 14692480 N/F 22727879 N/F 21979065 N/F N/F N/F methylthioadenosine N/F N/F N/F 51728 312386 N/F N/F 484115 311963 129682 143717 139989 335345 251323 308054 N/F 212176 N/F N/F N/F N/F N/F N/F 46588 373720 1593605 987866 1159206 2081288 1934741 726243 938470 324301 183133 891520 N/F 1282941 N/F N/F N/F S-Adenosyl-L-Homocysteine N/F N/F N/F 299203 1426213 N/F N/F 1303321 1581876 1204120 1383874 1387388 1050056 1179238 1087970 N/F 752745 N/F N/F N/F N/F N/F N/F N/F 452868 2110968 1592638 1667402 2477045 2536276 1070849 1855522 401582 669613 756051 N/F 1176655 N/F N/F N/F S-CARBOXYMETHYLCYSTEINE N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N-acetylglycine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F CDP-choline N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Cys_Gly_Ell N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F choline N/F N/F 328696997 1075533263 3411841846 1014159 N/F 3303788962 3822980689 3153643873 3463393394 3793566433 3602544455 3239575312 3500914928 465674360 3572193047 N/F N/F N/F N/F N/F N/F N/F N/F 264584 N/F N/F 1347228 597357 337912 N/F N/F N/F N/F N/F N/F N/F N/F N/F 3-phosphoglycerate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F methionine-13C5-15N N/F N/F 4573013 14693093 48382019 64008097 N/F 55365241 44149366 40920725 49015851 54244081 53958643 52369091 43394446 5916018 45115579 N/F N/F N/F 2057785 31924657 N/F 2620831 12822851 41267144 18088888 29639016 108598328 42130955 16312303 20603480 14762614 10181935 18625692 2574127 25505210 N/F N/F N/F serotonin N/F N/F N/F N/F 142234 N/F N/F N/F N/F N/F N/F 90562 N/F N/F N/F N/F N/F 66276 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F tryptophan N/F N/F 12201310 40099796 144885891 42160 N/F 178405393 153504896 122198364 148655265 157864290 131380211 143333377 159752415 17342162 140370093 N/F N/F N/F N/F N/F N/F 17502025 69984853 228480048 270965250 252779059 359928024 242114114 178871243 274260281 96343206 118614787 143106710 N/F 156788112 N/F N/F N/F tyrosine-13C9-15N N/F N/F 6275761 20382815 68232970 91351744 N/F 81704405 61671163 52725222 68780416 76971653 76364351 74341856 56141049 8208863 59032456 N/F N/F N/F 202815298 443141420 N/F 9857596 50241289 174885732 91089798 125421758 148770299 178415427 71588457 140475610 70443486 66243502 48953205 8459814 104589577 N/F N/F N/F palmitate 2639997 N/F 2047319 2731817 14012356 1335218 N/F 8181755 7298388 10993760 15025782 29768777 34988441 29782233 6849917 2811964 18580716 1640568 1752710 1174837 N/F N/F N/F N/F N/F 1037715 N/F 10434848 1566119 2442125 N/F 8470701 N/F 5286935 3409528 N/F 1874603 N/F N/F N/F arginine-13C6-15N4 N/F 126711 155017696 298694837 523825065 1379999798 N/F 560793755 425347804 396906615 499282936 549906090 583401199 542083769 396355362 160087530 427106254 N/F N/F N/F 556077215 936922413 N/F 55624627 187907675 437327155 232386934 357838735 366132227 428675018 172333267 342291595 118835710 111690317 96195997 24733312 151009720 N/F N/F N/F glutamate N/F N/F 708577 1655736 5216831 604416 N/F 4727544 5737424 8614779 5195569 3110606 4989129 5339914 3582455 964918 5628645 N/F 80193 37920 559205 1120528 123506 839978 2312318 6672338 4469663 8147947 7541229 6798262 11564731 5630471 4248049 2872961 4244636 510851 4052087 N/F 302531 N/F xanthosine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F tryptamine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F "1,4-BUTANEDIAMINE" N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F malonyl-CoA N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F erythrose_4-phosphate_unc N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F FAD N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Deoxycholic acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F cystine-13C6-15N2 N/F N/F 1277963 5024295 21134269 24960768 N/F 26068049 20289189 16976070 21454636 24293768 24428024 22881538 17728097 2036824 20271087 N/F N/F N/F 35997972 5887127 N/F 337166 1532893 10384293 15863130 24832509 26378387 10828682 12327210 28293533 5634644 15159691 8490215 282316 5495316 N/F N/F N/F aspartate N/F N/F 382782 644777 2335615 N/F N/F 1074675 2116152 2882972 1716527 1401100 1100670 1326969 927063 482445 2058213 N/F N/F N/F N/F N/F N/F 152254 N/F 166615 610070 441780 N/F N/F N/F 335172 N/F N/F N/F N/F N/F N/F N/F N/F 3-hydroxybutyric_acid N/F N/F 578810 2458286 8836347 N/F N/F 12253442 7322734 6882600 10638953 16358524 6401406 N/F 12827632 N/F 7044426 N/F N/F N/F N/F 313588 N/F N/F N/F 28189030 35724713 43878779 42792909 39569112 41068219 41405761 28612003 17380117 N/F N/F 26858689 N/F N/F N/F L-PHENYLALANINE_RING-13C6 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F phenylalanine N/F N/F 17576810 52838486 151755878 N/F 31244 129286888 157768582 173162753 153896062 169812927 112487630 148769954 177995705 24718151 146350193 N/F N/F N/F N/F N/F N/F 11794813 33566544 101959548 100983387 107518830 88846247 112622203 87100833 80514268 87110980 75693730 61882361 10105992 89011643 N/F N/F N/F INDOLE-3-ACETIC ACID_PHENYL-13C6 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F "5,10-CH2-H4PteGlu" N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F CREATININE_N-METHYL-D3 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F dUMP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F acetoacetate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F beta-alanine N/F N/F N/F 175374 2030081 1295602 N/F 2228801 1885917 1255393 1646483 1600853 2102659 3233991 1537768 N/F 1628067 N/F N/F N/F 426525 919064 N/F N/F N/F 1344689 682664 N/F N/F 265607 350035 872319 N/F N/F N/F N/F N/F N/F N/F N/F C5 Carnitines N/F N/F 4892335 16523987 50298700 N/F N/F 42050794 61773115 82505678 50491173 36017009 46567457 47414645 50263040 6524362 50280214 N/F N/F N/F N/F N/F N/F 1435351 9539154 35985275 19854235 25552795 24220435 37793843 30292736 24736782 11258222 5536330 16959938 2777473 45235655 N/F N/F N/F Pantothenate N/F N/F 223423775 700461097 1811032247 N/F N/F 1540424188 1413337449 2107661638 1756316924 1953008176 1192952660 2251750531 2057707302 298819274 1725026228 N/F N/F N/F N/F 153208 N/F N/F 1727554622 5527170621 4764269229 4623805000 3602473607 5718607041 3992812814 2787013035 1605818589 1656881515 1684371626 372035056 3452088209 N/F N/F N/F leucine-13C6-15N N/F N/F 5875644 20605445 71323012 110152911 N/F 75241126 64099335 61511570 73164751 80687109 82323858 78228018 63208155 8214517 72114505 N/F N/F N/F 150677909 280976548 N/F 10506916 39703682 110370823 64746683 81672741 97451251 112816890 57062537 88538002 58628882 49649105 46115092 9524815 86921979 N/F N/F N/F L-ALANINE_13C3 N/F N/F 689263 2474899 6898252 15762962 N/F 8237888 6632686 6344937 7116537 7386867 8628103 8725609 5858148 849654 6880175 N/F N/F N/F 13428002 25344031 N/F 523918 3128664 9834572 5426571 8256431 7858787 10172259 4577932 8919703 3902009 3158807 2320872 348859 5289058 N/F N/F N/F glyceraldehyde_3-phosphate N/F N/F N/F N/F 1455111 N/F N/F 1439035 2135522 1458406 1680041 1224537 1539315 1191268 1221103 N/F 1248933 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F HYPOXANTHINE_13C5 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Ureidosuccinic_acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Chenodeoxycholic acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F betaine 7410992 9552232 1300228865 3314806590 6509510790 N/F N/F 6371427509 7069957823 6940198714 6590894565 6731201022 6282729657 5993292680 6920701377 1727645681 6570574928 N/F 7585311 8643581 9697174 N/F 14945931 662233399 2252196704 7517808146 6326789641 6055902786 6707331248 7641157743 5035105573 5811976922 2226287689 2049065413 3120625613 613429323 5531439673 N/F 17509950 7387313 Glycerol 3-Phosphate N/F N/F N/F N/F 2731228 N/F N/F 2985200 2610975 2749637 2648425 2571530 2621828 3002693 2452339 N/F 2578232 N/F N/F N/F N/F N/F N/F 127520 507734 1635310 1696289 2242187 2250694 1669890 1619230 2537565 1522433 1889698 1075325 62060 1177894 N/F N/F N/F glutamine N/F N/F 418291618 1123714100 2810134071 N/F N/F 2732589986 3011827759 2762007158 2886204176 3477763378 2513636563 2890312358 2515255973 519450900 2535582059 53775 N/F N/F 1340053 2410949 N/F 229472987 968209522 2471511838 2233814743 2656509868 2684408731 2484383795 1908962482 2314740978 923530283 1294440942 1266209898 160414521 1606666527 42890 N/F N/F creatine N/F N/F 1817827385 N/F 8990425237 N/F N/F 9802994897 9979017687 8388745365 9468704303 N/F 8853758556 N/F N/F 2419788419 9063882339 N/F 87181 124803 1821219 N/F 75422 1226280438 4292369211 11480268866 10248292158 10441770785 11466094878 11701245283 6141260074 8852132465 N/F 3121478301 N/F 695599196 7228434505 37184 N/F N/F "5,10-CH=H4PteGlu" N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Ribose 1-phosphate_unc N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 24870 N/F N/F 18147 N/F N/F N/F N/F N/F N/F N/F dihydroorotate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Nicotinic Acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F ornithine N/F 233350 14828007 29620818 48287168 N/F N/F 42826989 51751171 58389046 42891245 39276353 32760366 35675369 36623027 14949263 37004234 446636 90891 376924 203803 214266 85702 3554467 14529534 36554009 34992348 32433832 38231793 33637046 34176101 26999517 9205746 12187564 13706230 1643843 10702818 N/F N/F N/F PteGlu N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F guanosine N/F N/F N/F 391666 1458778 N/F N/F 1849173 1643862 N/F 1668568 1153837 1884241 N/F N/F 83637 1628204 N/F N/F N/F N/F N/F N/F N/F N/F 3300219 2553631 3182272 3654531 3298248 2012929 3713503 1171453 N/F N/F N/F 1962137 N/F N/F N/F methionine N/F N/F 25251123 77806523 247091541 N/F N/F 256076344 270838814 232686873 247984684 250176924 225865540 246218269 268639089 33166166 230013645 N/F N/F N/F N/F N/F N/F 12375229 56720648 182201132 117695506 141298034 490949232 184662545 96263862 89504138 65635916 48861719 114610263 12725790 114558876 N/F N/F N/F fructose N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F threonine N/F N/F 26839433 129638036 346630962 N/F N/F 361577243 358015934 310523125 381504285 619016980 216628335 458492536 362768136 37363030 364357502 N/F N/F N/F N/F N/F N/F 18990096 128354783 404854917 330455397 415571553 385085088 415721173 221891758 194630514 152941864 221262848 142299917 15436065 243084728 N/F N/F N/F L-TYROSINE_RING-13C6 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 1-methylnicotinamide N/F N/F 2515984 11852738 36360977 N/F N/F 27190821 36598024 24877493 37918951 53531766 32252120 42433855 44970419 5863742 36338040 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F NADPH N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 5_10-CHO-H4PteGlu N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F isoleucine N/F N/F 10757893 38282866 137934983 N/F N/F 128237116 149875988 128582853 125035067 159820922 101615702 141641718 147823979 16049642 131795835 N/F N/F N/F N/F N/F N/F 13116433 60241740 243757799 248073352 204508791 276548510 255387892 178814723 192911949 72044395 94345510 100231704 10934518 139919427 N/F N/F N/F Homocysteine sulfinic acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F PYRUVATE_13C3 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Isoleucine-13C6-15N N/F N/F 6271455 16788819 46270073 73567579 N/F 55998316 44189499 43017126 49533478 53797840 56469649 56499752 42630377 6894822 46698739 N/F N/F N/F 184753150 306150165 N/F 10974919 44414373 154716571 87721246 97746148 127140136 156261855 70463214 115230493 59373957 51677269 40077944 11091732 92807107 N/F N/F N/F isocitrate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F hypoxanthine N/F N/F 141198827 N/F 608271277 N/F N/F 662677922 730469522 559918289 595931974 468946767 713747869 531132330 599455287 180380647 598129238 N/F N/F N/F N/F N/F 202619 150177166 24498682 1148824947 1048851336 80339736 92217160 1171479496 821996860 N/F N/F 390271570 N/F N/F N/F N/F N/F N/F GMP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 65253 N/F 59251 N/F 49188 N/F N/F N/F N/F N/F N/F N/F Kynurenic Acid N/F N/F N/F 791837 646278 N/F N/F 1346223 1471822 821440 827047 794521 791907 545830 807702 314219 1183073 N/F N/F N/F N/F N/F N/F 404595 1134622 4280184 1723790 1794695 4051701 4377483 2269003 2925875 1221070 785979 1852452 N/F 3361950 N/F N/F N/F tyrosine N/F N/F 11633599 38248493 130737332 N/F N/F 107794904 137533939 145535523 130721061 139952162 93788964 122349581 147528539 16251186 113001334 N/F N/F N/F N/F N/F N/F 14825710 75483810 255497860 234021719 206515954 198266365 255904138 202647826 178235142 106168581 123391312 111503304 12999033 154084748 N/F 961412 N/F thymidine N/F N/F 289756 911341 2750469 N/F N/F 1602154 2325465 2789661 2844983 4206728 2945187 3257607 2647542 441482 2114425 N/F N/F N/F N/F N/F N/F 73501 279641 857204 456780 788385 495625 988107 483044 679593 390954 380675 294125 100141 526992 N/F N/F N/F 5-CH3-H4PteGlu N/F N/F 700073 2389682 7071430 N/F N/F 6845865 5919754 4378275 6607415 7918900 7274197 6644896 5862383 753225 5922905 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F lysine N/F N/F 222065576 480278103 1075111098 N/F N/F 943632012 1201532277 1156354410 1045550011 1227553567 740239754 943457780 1042622129 236990690 960589092 N/F N/F N/F N/F N/F N/F 58267653 N/F 754673860 N/F N/F 815267175 N/F 677981536 657681224 N/F N/F N/F 40448849 389309447 N/F N/F N/F NADP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Picolinate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F MTX N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F dTMP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F uracil N/F N/F 1032981 3642724 14359493 N/F N/F 12040768 16730916 11417053 13784807 8876880 15588257 9383916 14220669 1332314 10318724 N/F N/F N/F N/F 251625 N/F 2609536 8014982 25022356 15717951 14476222 19378199 24543915 11834609 15509789 10995256 6444028 8429507 1921322 261265 N/F N/F N/F aspartate-13C6-15N4 N/F N/F 826753 2083760 6347140 6154341 N/F 6456569 5765102 5227190 5741424 7076486 6517062 6754864 5692916 1169868 6365294 N/F N/F N/F 9526647 26537797 N/F 1391559 4795874 14708920 7906751 10541554 11100655 15246034 7186210 10557393 9143359 7127721 4732145 859421 8284149 N/F N/F N/F xanthine N/F N/F 918834 2436583 3215360 N/F N/F 2341783 3499336 4499706 3003514 2486456 2989455 2601284 3137484 887527 3048748 N/F N/F N/F N/F N/F N/F 3738680 7849172 10913910 4863256 4452283 4823183 11759262 5038051 4456286 5222816 2307171 2534956 2351512 6299474 N/F N/F N/F Lythocholic acid N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GAR N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F trans-urocanate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F THYMINE N/F N/F 2432480 9559663 29925919 2538589 N/F 43833056 23330287 20813892 28369717 30050192 22459998 32438537 29069139 3301523 24471573 N/F N/F N/F 1689825 38637043 N/F 7124712 26197247 87609486 8507286 13030785 29149543 95084890 6823138 9258509 52072487 11968882 4749273 6333655 59963588 N/F 74341 N/F glycine_13C2-15N N/F N/F N/F 176278 1536985 1094012 N/F 2077984 1825801 1330750 1666140 2033320 1838464 1783502 1403472 N/F 1706417 N/F N/F N/F 532614 1146658 N/F N/F 126433 580097 311910 410556 385001 505883 178614 537649 200264 227892 124268 N/F 270426 N/F N/F N/F GUANOSINE_15N5 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F "Fructose 1,6-bisphosphate" N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F dTTP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 1096666 N/F N/F N/F N/F N/F N/F N/F N/F Glucose 6-phosphate N/F N/F N/F N/F 113786 N/F N/F 173437 165772 200987 156729 118279 148874 133769 87819 N/F 110996 N/F N/F N/F N/F N/F N/F N/F 35621 53089 36647 236879 297989 36181 37629 63631 76764 111708 74092 N/F 32851 N/F N/F N/F 2-oxobutyric_acid_unc N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Alpha-Lipoic Acid_unc N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F phosphoserine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F HIAA N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 121598 N/F N/F N/F guanidinoacetate N/F N/F 1999589 6862691 31676076 N/F N/F 31622560 39265913 51911637 31809763 25714893 17710217 21960082 34414600 2346484 29949659 N/F N/F N/F N/F N/F N/F 734360 4214927 15402435 13379850 10280775 15309028 16514019 13366049 7830593 3352015 2472492 8443022 459380 8060290 N/F N/F N/F cysteine-glycine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GTP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Methionine sulfoxide N/F N/F 11544138 48065821 168107235 N/F N/F 181731589 196104346 160148269 182429696 191679839 160005143 179655245 180997206 16333856 148815740 N/F N/F N/F N/F 225127 N/F 47073162 320568912 1088942372 1096614681 1029745845 660125977 1165934582 727219819 1069420950 365741596 427541707 437034846 41479856 728743634 N/F N/F N/F lactic_acid N/F N/F 40327009 112347766 270771528 230848420 N/F 277672591 259625829 243151599 278806742 300804361 291751396 311135965 270523578 54398946 265355024 N/F N/F N/F N/F N/F N/F N/F 1575417952 4364256848 4085256265 3876452381 5241619278 4609440309 3160486863 4584699895 4168365894 2883561634 3290853260 N/F 3432271136 N/F N/F N/F UDP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F cysteine_unc N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F phosphocreatine N/F N/F 462163 1256866 5003935 N/F N/F 5418160 5628546 4617693 4748495 4156381 5791725 5753037 3007727 510447 4776966 N/F N/F N/F N/F N/F N/F 120886 477355 2051892 1213090 3426393 3305751 2088568 1881396 3669632 1674693 1682451 1661931 N/F 1523442 N/F N/F N/F N-acetylmethionine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F CTP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F AMP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F "ALPHA-KETOGLUTARIC ACID_1,2,3,4- 13C4" N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F niacinamide N/F N/F 3765737 12991597 37866701 N/F N/F 34705398 32678546 28489768 36761802 63509657 31402726 40449349 36656497 4384814 36209836 N/F N/F N/F N/F 2750811 N/F 11317644 49136338 166405199 150010212 114059248 157814701 171037844 102719794 127402843 48976976 93143868 63452126 10152137 99000521 N/F N/F N/F "2,3-BPG_unc" N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F formyl_methionine N/F N/F 42539 348833 N/F N/F N/F N/F 1656615 1263352 N/F N/F 1403570 N/F 1555131 129517 N/F N/F N/F N/F N/F N/F N/F N/F N/F 89400 N/F 233687 1362915 N/F N/F 79638 N/F N/F 248276 N/F N/F N/F N/F N/F GSH_Ellmans N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F cAMP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F myo-inositol N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F F6P_G1P N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 35621 100659 102452 236879 297989 115014 199994 156360 76764 111708 74092 N/F 32851 N/F N/F N/F N-acetylalanine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 7438913 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F argininosuccinate_unc N/F N/F 4247653 14131037 60311088 N/F N/F 48205443 54934788 63446497 51725263 41857036 37670798 47793538 52869659 5038149 48277692 N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 13694587 N/F N/F N/F N/F 12571619 N/F N/F N/F N/F N/F Sedoheptulose-7-phosphate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 18038 N/F N/F N/F N/F N/F N/F N/F N/F N/F Pipecolate N/F N/F 4407061 14930548 57926981 N/F N/F 71107643 76981620 41701775 61875936 67120739 58486026 55381543 69011994 4804871 52962843 N/F N/F N/F N/F N/F N/F 5994955 34796659 162438892 95874881 94197889 138927932 175216782 45103872 104525710 46042411 34875447 60084776 6551185 122734668 N/F N/F N/F alpha-keto-isovalerate N/F N/F N/F 1640681 6687947 N/F N/F 6002802 7142933 5667064 6263470 5423550 5913438 6525908 7598965 N/F 6203927 N/F N/F N/F N/F N/F N/F N/F N/F N/F 2043101 3599495 3656690 N/F 1724703 1819266 1379071 N/F 2058439 N/F N/F N/F N/F N/F succinate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Ribose_Ribulose 5-phosphate_3Me-Lys N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 27822 N/F N/F 18147 N/F N/F N/F N/F N/F N/F N/F N-acetylphenylalanine N/F N/F 164131 661685 2012778 N/F N/F 1421082 2340228 2055097 2077286 2009841 1913062 2185066 2346237 185422 1884174 N/F 32655 N/F N/F N/F N/F 145719 578531 1724057 1485004 1944147 1770212 2019244 1281328 1771530 800427 718710 1055756 107859 1584586 N/F N/F N/F 6-phosphogluconate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 2-oxoadipate N/F N/F N/F N/F 1231524 821699 N/F 939136 743195 674698 779908 974314 854363 883428 772746 N/F 891609 N/F 47347 N/F 616448 3278548 N/F N/F 393787 1486315 419981 1124508 876981 1622923 528408 725871 603210 463664 233060 N/F 1078347 49441 N/F N/F ATP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F malate N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F 1344344 18491588 83510554 1118524 28672270 64037072 122789653 113110986 95819954 106261772 119453091 71241281 80149946 33922505 24322700 56485966 11240963 65174519 2058063 2484314 N/F CMP N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F GSH-13C2_15N N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F Pyridoxine N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F N/F MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name anthranilic_acid proline-13C5-15N folic_acid N-acetylcysteine dCytidine H2PteGlu carnitine biotin adenine glycine amidoadipate guanine homocitrulline 2-hydroxyglutarate gamma-aminobutyric_acid cysteic_acid adenosine hydroxyproline_gammaALA Pyridoxal Itaconic Acid histidine-13C6-15N3 cis-aconitate "1,4-BUTANEDIAMINE_13C4" phenylalanine-13C9-15N orotate dimethylglicine cytidine IMP L-TRYPTOPHAN_13C11 H4PteGlu allantoin 2-hydroxybutyric_acid lysine-13C6-15N2 NADH cytosine PALMITATE_U-13C16 fumarate dCTP Cys_Ell CoA-Ellmans_unc FUMARIC ACID_13C4 serine-13C3-15N Alpha-Ketoglutarate pseudouridine_unc valine-13C5-15N dihydroxyacetone_phosphate pyruvate quinolinic_acid histidine dATP NAD+ indolelactate kynurenine threonine-13C4-15N valine phosphocholine sarcosine cystathionine NICOTINAMIDE_13C6 arginine glycerate sorbitol glucose citrulline N-acetylglutamate INDOLE-3-ACETIC ACID taurine GSSG-13C4_15N2 "CITRIC ACID_1,5,6-CARBOXYL-13C3" CDP asymmetric dimethylarginine proline UTP N-acetylaspartate N-acetylserine UMP GSH homocysteine N-alpha-acetyllysine p-aminobenzoate inosine Acetyl CoA asparagine ADP anserine thiamine Butyrylcarnitine mannose "THYMINE_1,3-15N2" acetylcarnitine propionylcarnitine 3-methyl-2-oxopentanoic_acid ADP-ribose alanine O-phosphoethanolamine 2-aminobutyric_acid GSH_13C2-15N-Ellmans saccharopine_unc cystine uric acid carnosine N-acetylornithine Succinylacetone GSSG "glutamate-13C5,15N" PRPP "ETHANOLAMINE_1,1,2,2-D4" phosphoenolpyruvate 3-ureidopropionate Glycerophosphocholine gamma-glutamyl-alanine hypotaurine Riboflavin N-acetylglutamine uridine 3-hydroxyisobutyric_acid L-LEUCINE_13C6 cysteine_13C3_15N1 Phenylacetyl glutamine 4-Hydroxyphenylpyruvic acid Coenzyme A GDP Cholic acid citrate serine succinyl-CoA AICAR homocysteic_acid alanine-13C3-15N ascorbate_unc leucine creatinine SODIUM PALMITATE_U-13C16 UDP-GlcNAc S-Adenosyl-L-methionine methylthioadenosine S-Adenosyl-L-Homocysteine S-CARBOXYMETHYLCYSTEINE N-acetylglycine CDP-choline Cys_Gly_Ell choline 3-phosphoglycerate methionine-13C5-15N serotonin tryptophan tyrosine-13C9-15N palmitate arginine-13C6-15N4 glutamate xanthosine tryptamine "1,4-BUTANEDIAMINE" malonyl-CoA erythrose_4-phosphate_unc FAD Deoxycholic acid cystine-13C6-15N2 aspartate 3-hydroxybutyric_acid L-PHENYLALANINE_RING-13C6 phenylalanine INDOLE-3-ACETIC ACID_PHENYL-13C6 "5,10-CH2-H4PteGlu" CREATININE_N-METHYL-D3 dUMP acetoacetate beta-alanine C5 Carnitines Pantothenate leucine-13C6-15N L-ALANINE_13C3 glyceraldehyde_3-phosphate HYPOXANTHINE_13C5 Ureidosuccinic_acid Chenodeoxycholic acid betaine Glycerol 3-Phosphate glutamine creatine "5,10-CH=H4PteGlu" Ribose 1-phosphate_unc dihydroorotate Nicotinic Acid ornithine PteGlu guanosine methionine fructose threonine L-TYROSINE_RING-13C6 1-methylnicotinamide NADPH 5_10-CHO-H4PteGlu isoleucine Homocysteine sulfinic acid PYRUVATE_13C3 Isoleucine-13C6-15N isocitrate hypoxanthine GMP Kynurenic Acid tyrosine thymidine 5-CH3-H4PteGlu lysine NADP Picolinate MTX dTMP uracil aspartate-13C6-15N4 xanthine Lythocholic acid GAR trans-urocanate THYMINE glycine_13C2-15N GUANOSINE_15N5 "Fructose 1,6-bisphosphate" dTTP Glucose 6-phosphate 2-oxobutyric_acid_unc Alpha-Lipoic Acid_unc phosphoserine HIAA guanidinoacetate cysteine-glycine GTP Methionine sulfoxide lactic_acid UDP cysteine_unc phosphocreatine N-acetylmethionine CTP AMP "ALPHA-KETOGLUTARIC ACID_1,2,3,4- 13C4" niacinamide "2,3-BPG_unc" formyl_methionine GSH_Ellmans cAMP myo-inositol F6P_G1P N-acetylalanine argininosuccinate_unc Sedoheptulose-7-phosphate Pipecolate alpha-keto-isovalerate succinate Ribose_Ribulose 5-phosphate_3Me-Lys N-acetylphenylalanine 6-phosphogluconate 2-oxoadipate ATP malate CMP GSH-13C2_15N Pyridoxine METABOLITES_END #END