#METABOLOMICS WORKBENCH Sethjparker_20241101_160728 DATATRACK_ID:5332 STUDY_ID:ST003550 ANALYSIS_ID:AN005835 PROJECT_ID:PR002186 VERSION 1 CREATED_ON November 5, 2024, 9:40 am #PROJECT PR:PROJECT_TITLE Stable-isotope lysine tracing to differentiate utilization of the saccharopine PR:PROJECT_TITLE and/or pipecolate pathways in HEK293 cells and primary mouse astrocytes. PR:PROJECT_TYPE Manuscript PR:PROJECT_SUMMARY L-lysine (Lysine) is an essential proteinogenic amino acid that is acquired from PR:PROJECT_SUMMARY a protein-rich diet. Lysine is metabolized to fuel acyl-CoA and L-carnitine PR:PROJECT_SUMMARY synthesis in cells and tissues. The two main catabolic pathways, named after PR:PROJECT_SUMMARY their products pipecolate or saccharopine, differ in their cytosolic or PR:PROJECT_SUMMARY mitochondrial localization, respectively, but converge at the mitochondrial PR:PROJECT_SUMMARY enzyme α-aminoadipic semialdehyde dehydrogenase (ALDH7A1, or antiquitin). To PR:PROJECT_SUMMARY differentiate between the utilization of these two pathways, we cultured HEK293 PR:PROJECT_SUMMARY cells or primary mouse astrocytes with unlabeled L-lysine, 13C6-L-lysine, PR:PROJECT_SUMMARY alpha-15N-L-lysine, or epsilon-15N-L-lysine for 24 hours and analyzed atom PR:PROJECT_SUMMARY incorporation into downstream metabolites using LCMS. Our results suggest that PR:PROJECT_SUMMARY both cell types exclusively use the saccharopine pathway. In addition, we show PR:PROJECT_SUMMARY that pipecolate can be generated from interconversion of piperideine PR:PROJECT_SUMMARY 6-carboxylate rather than from activity of the pipecolate pathway, which was PR:PROJECT_SUMMARY silent in both cell types. PR:INSTITUTE University of British Columbia PR:DEPARTMENT Biochemistry & Molecular Biology PR:LABORATORY Parker laboratory PR:LAST_NAME Parker PR:FIRST_NAME Seth PR:ADDRESS 950 W 28th Ave, Vancouver, British Columbia, V6H 0B3, Canada PR:EMAIL seth.parker@bcchr.ca PR:PHONE 6048753121 #STUDY ST:STUDY_TITLE Stable-isotope lysine tracing in primary mouse astrocytes and HEK293 cells. ST:STUDY_SUMMARY Stable-isotope tracing using unlabeled, 13C6-, alpha-15N-, or epsilon-15N- ST:STUDY_SUMMARY labeled L-lysine in primary mouse astrocytes and HEK293 cells. Primary mouse ST:STUDY_SUMMARY astrocytes were isolated from wild-type C57BL/6J mice or Aldh7a1+/- (Het) or ST:STUDY_SUMMARY Aldh7a1-/- (Hom) mice and cultured for 24-hours in DMEM containing one of the ST:STUDY_SUMMARY above tracers and 10% dialyzed FBS. Parental, sgTomato, or sgALDH7A1 HEK293 ST:STUDY_SUMMARY cells were cultured for 24-hours in DMEM containing one of the above tracers and ST:STUDY_SUMMARY 10% dialyzed FBS. Metabolites were extracted and analyzed by LCMS. ST:INSTITUTE University of British Columbia ST:DEPARTMENT Biochemistry & Molecular Biology ST:LABORATORY Parker laboratory ST:LAST_NAME Parker ST:FIRST_NAME Seth ST:ADDRESS 950 W 28th Ave, Vancouver, British Columbia, V6H 0B3, Canada ST:EMAIL seth.parker@bcchr.ca ST:PHONE 6048753121 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Mouse and Human SU:GENDER Male and female #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 - Astrocytes_unlabeled_SP1 Sample source:Primary mouse astrocytes | Isotope Tracer:unlabeled L-lysine Source=Mouse; Genotype=wild-type C57BL/6J; RAW_FILE_NAME(Raw file name)=Astrocytes_unlabeled_SP1.RAW SUBJECT_SAMPLE_FACTORS - Astrocytes_unlabeled_SP2 Sample source:Primary mouse astrocytes | Isotope Tracer:unlabeled L-lysine Source=Mouse; Genotype=wild-type C57BL/6J; RAW_FILE_NAME(Raw file name)=Astrocytes_unlabeled_SP2.RAW SUBJECT_SAMPLE_FACTORS - Astrocytes_unlabeled_SP3 Sample source:Primary mouse astrocytes | Isotope Tracer:unlabeled L-lysine Source=Mouse; Genotype=wild-type C57BL/6J; RAW_FILE_NAME(Raw file name)=Astrocytes_unlabeled_SP3.RAW SUBJECT_SAMPLE_FACTORS - Astrocytes_13C6Lys_SP1 Sample source:Primary mouse astrocytes | Isotope Tracer:13C6-L-lysine Source=Mouse; Genotype=wild-type C57BL/6J; RAW_FILE_NAME(Raw file name)=Astrocytes_13C6Lys_SP1.RAW SUBJECT_SAMPLE_FACTORS - Astrocytes_13C6Lys_SP2 Sample source:Primary mouse astrocytes | Isotope Tracer:13C6-L-lysine Source=Mouse; Genotype=wild-type C57BL/6J; RAW_FILE_NAME(Raw file name)=Astrocytes_13C6Lys_SP2.RAW SUBJECT_SAMPLE_FACTORS - Astrocytes_13C6Lys_SP3 Sample source:Primary mouse astrocytes | Isotope Tracer:13C6-L-lysine Source=Mouse; Genotype=wild-type C57BL/6J; RAW_FILE_NAME(Raw file name)=Astrocytes_13C6Lys_SP3.RAW SUBJECT_SAMPLE_FACTORS - Astrocytes_a15NLys_SP1 Sample source:Primary mouse astrocytes | Isotope Tracer:alpha-15N-L-lysine Source=Mouse; Genotype=wild-type C57BL/6J; RAW_FILE_NAME(Raw file name)=Astrocytes_a15NLys_SP1.RAW SUBJECT_SAMPLE_FACTORS - Astrocytes_a15NLys_SP2 Sample source:Primary mouse astrocytes | Isotope Tracer:alpha-15N-L-lysine Source=Mouse; Genotype=wild-type C57BL/6J; RAW_FILE_NAME(Raw file name)=Astrocytes_a15NLys_SP2.RAW SUBJECT_SAMPLE_FACTORS - Astrocytes_a15NLys_SP3 Sample source:Primary mouse astrocytes | Isotope Tracer:alpha-15N-L-lysine Source=Mouse; Genotype=wild-type C57BL/6J; RAW_FILE_NAME(Raw file name)=Astrocytes_a15NLys_SP3.RAW SUBJECT_SAMPLE_FACTORS - Astrocytes_e15NLys_SP1 Sample source:Primary mouse astrocytes | Isotope Tracer:epsilon-15N-L-lysine Source=Mouse; Genotype=wild-type C57BL/6J; RAW_FILE_NAME(Raw file name)=Astrocytes_e15NLys_SP1.RAW SUBJECT_SAMPLE_FACTORS - Astrocytes_e15NLys_SP2 Sample source:Primary mouse astrocytes | Isotope Tracer:epsilon-15N-L-lysine Source=Mouse; Genotype=wild-type C57BL/6J; RAW_FILE_NAME(Raw file name)=Astrocytes_e15NLys_SP2.RAW SUBJECT_SAMPLE_FACTORS - Astrocytes_e15NLys_SP3 Sample source:Primary mouse astrocytes | Isotope Tracer:epsilon-15N-L-lysine Source=Mouse; Genotype=wild-type C57BL/6J; RAW_FILE_NAME(Raw file name)=Astrocytes_e15NLys_SP3.RAW SUBJECT_SAMPLE_FACTORS - HEK293_unlabeled_1 Sample source:HEK293 | Isotope Tracer:unlabeled L-lysine Source=Cultured cell line; Genotype=parental; RAW_FILE_NAME(Raw file name)=HEK293_unlabeled_1.RAW SUBJECT_SAMPLE_FACTORS - HEK293_unlabeled_2 Sample source:HEK293 | Isotope Tracer:unlabeled L-lysine Source=Cultured cell line; Genotype=parental; RAW_FILE_NAME(Raw file name)=HEK293_unlabeled_2.RAW SUBJECT_SAMPLE_FACTORS - HEK293_unlabeled_3 Sample source:HEK293 | Isotope Tracer:unlabeled L-lysine Source=Cultured cell line; Genotype=parental; RAW_FILE_NAME(Raw file name)=HEK293_unlabeled_3.RAW SUBJECT_SAMPLE_FACTORS - HEK293_13C6Lys_1 Sample source:HEK293 | Isotope Tracer:13C6-L-lysine Source=Cultured cell line; Genotype=parental; RAW_FILE_NAME(Raw file name)=HEK293_13C6Lys_1.RAW SUBJECT_SAMPLE_FACTORS - HEK293_13C6Lys_2 Sample source:HEK293 | Isotope Tracer:13C6-L-lysine Source=Cultured cell line; Genotype=parental; RAW_FILE_NAME(Raw file name)=HEK293_13C6Lys_2.RAW SUBJECT_SAMPLE_FACTORS - HEK293_13C6Lys_3 Sample source:HEK293 | Isotope Tracer:13C6-L-lysine Source=Cultured cell line; Genotype=parental; RAW_FILE_NAME(Raw file name)=HEK293_13C6Lys_3.RAW SUBJECT_SAMPLE_FACTORS - HEK293_a15NLys_1 Sample source:HEK293 | Isotope Tracer:alpha-15N-L-lysine Source=Cultured cell line; Genotype=parental; RAW_FILE_NAME(Raw file name)=HEK293_a15NLys_1.RAW SUBJECT_SAMPLE_FACTORS - HEK293_a15NLys_2 Sample source:HEK293 | Isotope Tracer:alpha-15N-L-lysine Source=Cultured cell line; Genotype=parental; RAW_FILE_NAME(Raw file name)=HEK293_a15NLys_2.RAW SUBJECT_SAMPLE_FACTORS - HEK293_a15NLys_3 Sample source:HEK293 | Isotope Tracer:alpha-15N-L-lysine Source=Cultured cell line; Genotype=parental; RAW_FILE_NAME(Raw file name)=HEK293_a15NLys_3.RAW SUBJECT_SAMPLE_FACTORS - HEK293_e15NLys_1 Sample source:HEK293 | Isotope Tracer:epsilon-15N-L-lysine Source=Cultured cell line; Genotype=parental; RAW_FILE_NAME(Raw file name)=HEK293_e15NLys_1.RAW SUBJECT_SAMPLE_FACTORS - HEK293_e15NLys_2 Sample source:HEK293 | Isotope Tracer:epsilon-15N-L-lysine Source=Cultured cell line; Genotype=parental; RAW_FILE_NAME(Raw file name)=HEK293_e15NLys_2.RAW SUBJECT_SAMPLE_FACTORS - HEK293_e15NLys_3 Sample source:HEK293 | Isotope Tracer:epsilon-15N-L-lysine Source=Cultured cell line; Genotype=parental; RAW_FILE_NAME(Raw file name)=HEK293_e15NLys_3.RAW SUBJECT_SAMPLE_FACTORS - HEK293_sgTom_unlabel_1 Sample source:HEK293 | Isotope Tracer:unlabeled L-lysine Source=Cultured cell line; Genotype=CRISPR/Cas9 Control (sgTomato); RAW_FILE_NAME(Raw file name)=HEK293_sgTom_unlabel_1.RAW SUBJECT_SAMPLE_FACTORS - HEK293_sgTom_unlabel_2 Sample source:HEK293 | Isotope Tracer:unlabeled L-lysine Source=Cultured cell line; Genotype=CRISPR/Cas9 Control (sgTomato); RAW_FILE_NAME(Raw file name)=HEK293_sgTom_unlabel_2.RAW SUBJECT_SAMPLE_FACTORS - HEK293_sgTom_unlabel_3 Sample source:HEK293 | Isotope Tracer:unlabeled L-lysine Source=Cultured cell line; Genotype=CRISPR/Cas9 Control (sgTomato); RAW_FILE_NAME(Raw file name)=HEK293_sgTom_unlabel_3.RAW SUBJECT_SAMPLE_FACTORS - HEK293_sgTom_a15NLys_1 Sample source:HEK293 | Isotope Tracer:alpha-15N-L-lysine Source=Cultured cell line; Genotype=CRISPR/Cas9 Control (sgTomato); RAW_FILE_NAME(Raw file name)=HEK293_sgTom_a15NLys_1.RAW SUBJECT_SAMPLE_FACTORS - HEK293_sgTom_a15NLys_2 Sample source:HEK293 | Isotope Tracer:alpha-15N-L-lysine Source=Cultured cell line; Genotype=CRISPR/Cas9 Control (sgTomato); RAW_FILE_NAME(Raw file name)=HEK293_sgTom_a15NLys_2.RAW SUBJECT_SAMPLE_FACTORS - HEK293_sgTom_a15NLys_3 Sample source:HEK293 | Isotope Tracer:alpha-15N-L-lysine Source=Cultured cell line; Genotype=CRISPR/Cas9 Control (sgTomato); RAW_FILE_NAME(Raw file name)=HEK293_sgTom_a15NLys_3.RAW SUBJECT_SAMPLE_FACTORS - HEK293_sgALDH7A1_unlabel_1 Sample source:HEK293 | Isotope Tracer:unlabeled L-lysine Source=Cultured cell line; Genotype=CRISPR/Cas9 KO (sgALDH7A1); RAW_FILE_NAME(Raw file name)=HEK293_sgALDH7A1_2_unlabel_1.RAW SUBJECT_SAMPLE_FACTORS - HEK293_sgALDH7A1_unlabel_2 Sample source:HEK293 | Isotope Tracer:unlabeled L-lysine Source=Cultured cell line; Genotype=CRISPR/Cas9 KO (sgALDH7A1); RAW_FILE_NAME(Raw file name)=HEK293_sgALDH7A1_2_unlabel_2.RAW SUBJECT_SAMPLE_FACTORS - HEK293_sgALDH7A1_unlabel_3 Sample source:HEK293 | Isotope Tracer:unlabeled L-lysine Source=Cultured cell line; Genotype=CRISPR/Cas9 KO (sgALDH7A1); RAW_FILE_NAME(Raw file name)=HEK293_sgALDH7A1_2_unlabel_3.RAW SUBJECT_SAMPLE_FACTORS - HEK293_sgALDH7A1_a15NLys_1 Sample source:HEK293 | Isotope Tracer:alpha-15N-L-lysine Source=Cultured cell line; Genotype=CRISPR/Cas9 KO (sgALDH7A1); RAW_FILE_NAME(Raw file name)=HEK293_sgALDH7A1_2_a15NLys_1.RAW SUBJECT_SAMPLE_FACTORS - HEK293_sgALDH7A1_a15NLys_2 Sample source:HEK293 | Isotope Tracer:alpha-15N-L-lysine Source=Cultured cell line; Genotype=CRISPR/Cas9 KO (sgALDH7A1); RAW_FILE_NAME(Raw file name)=HEK293_sgALDH7A1_2_a15NLys_2.RAW SUBJECT_SAMPLE_FACTORS - HEK293_sgALDH7A1_a15NLys_3 Sample source:HEK293 | Isotope Tracer:alpha-15N-L-lysine Source=Cultured cell line; Genotype=CRISPR/Cas9 KO (sgALDH7A1); RAW_FILE_NAME(Raw file name)=HEK293_sgALDH7A1_2_a15NLys_3.RAW SUBJECT_SAMPLE_FACTORS - Het_Unlabelled_1 Sample source:Primary mouse astrocytes | Isotope Tracer:unlabeled L-lysine Source=Mouse; Genotype=Aldh7a1+/-; RAW_FILE_NAME(Raw file name)=Het_Unlabelled_1.RAW SUBJECT_SAMPLE_FACTORS - Het_Unlabelled_2 Sample source:Primary mouse astrocytes | Isotope Tracer:unlabeled L-lysine Source=Mouse; Genotype=Aldh7a1+/-; RAW_FILE_NAME(Raw file name)=Het_Unlabelled_2.RAW SUBJECT_SAMPLE_FACTORS - Het_Unlabelled_3 Sample source:Primary mouse astrocytes | Isotope Tracer:unlabeled L-lysine Source=Mouse; Genotype=Aldh7a1+/-; RAW_FILE_NAME(Raw file name)=Het_Unlabelled_3.RAW SUBJECT_SAMPLE_FACTORS - Het_Na_1 Sample source:Primary mouse astrocytes | Isotope Tracer:alpha-15N-L-lysine Source=Mouse; Genotype=Aldh7a1+/-; RAW_FILE_NAME(Raw file name)=Het_Na_1.RAW SUBJECT_SAMPLE_FACTORS - Het_Na_2 Sample source:Primary mouse astrocytes | Isotope Tracer:alpha-15N-L-lysine Source=Mouse; Genotype=Aldh7a1+/-; RAW_FILE_NAME(Raw file name)=Het_Na_2.RAW SUBJECT_SAMPLE_FACTORS - Het_Na_3 Sample source:Primary mouse astrocytes | Isotope Tracer:alpha-15N-L-lysine Source=Mouse; Genotype=Aldh7a1+/-; RAW_FILE_NAME(Raw file name)=Het_Na_3.RAW SUBJECT_SAMPLE_FACTORS - Het_Ne_1 Sample source:Primary mouse astrocytes | Isotope Tracer:epsilon-15N-L-lysine Source=Mouse; Genotype=Aldh7a1+/-; RAW_FILE_NAME(Raw file name)=Het_Ne_1.RAW SUBJECT_SAMPLE_FACTORS - Het_Ne2 Sample source:Primary mouse astrocytes | Isotope Tracer:epsilon-15N-L-lysine Source=Mouse; Genotype=Aldh7a1+/-; RAW_FILE_NAME(Raw file name)=Het_Ne2.RAW SUBJECT_SAMPLE_FACTORS - Het_Ne_3 Sample source:Primary mouse astrocytes | Isotope Tracer:epsilon-15N-L-lysine Source=Mouse; Genotype=Aldh7a1+/-; RAW_FILE_NAME(Raw file name)=Het_Ne_3.RAW SUBJECT_SAMPLE_FACTORS - Het_C6_1_rerun2 Sample source:Primary mouse astrocytes | Isotope Tracer:13C6-L-lysine Source=Mouse; Genotype=Aldh7a1+/-; RAW_FILE_NAME(Raw file name)=Het_C6_1_rerun2.RAW SUBJECT_SAMPLE_FACTORS - Het_C6_2 Sample source:Primary mouse astrocytes | Isotope Tracer:13C6-L-lysine Source=Mouse; Genotype=Aldh7a1+/-; RAW_FILE_NAME(Raw file name)=Het_C6_2.RAW SUBJECT_SAMPLE_FACTORS - Het_C6_3 Sample source:Primary mouse astrocytes | Isotope Tracer:13C6-L-lysine Source=Mouse; Genotype=Aldh7a1+/-; RAW_FILE_NAME(Raw file name)=Het_C6_3.RAW SUBJECT_SAMPLE_FACTORS - Hom_Unlabelled_1 Sample source:Primary mouse astrocytes | Isotope Tracer:unlabeled L-lysine Source=Mouse; Genotype=Aldh7a1-/-; RAW_FILE_NAME(Raw file name)=Hom_Unlabelled_1.RAW SUBJECT_SAMPLE_FACTORS - Hom_Unlabelled_2 Sample source:Primary mouse astrocytes | Isotope Tracer:unlabeled L-lysine Source=Mouse; Genotype=Aldh7a1-/-; RAW_FILE_NAME(Raw file name)=Hom_Unlabelled_2.RAW SUBJECT_SAMPLE_FACTORS - Hom_Unlabelled_3 Sample source:Primary mouse astrocytes | Isotope Tracer:unlabeled L-lysine Source=Mouse; Genotype=Aldh7a1-/-; RAW_FILE_NAME(Raw file name)=Hom_Unlabelled_3.RAW SUBJECT_SAMPLE_FACTORS - Hom_Na_1 Sample source:Primary mouse astrocytes | Isotope Tracer:alpha-15N-L-lysine Source=Mouse; Genotype=Aldh7a1-/-; RAW_FILE_NAME(Raw file name)=Hom_Na_1.RAW SUBJECT_SAMPLE_FACTORS - Hom_Na_2 Sample source:Primary mouse astrocytes | Isotope Tracer:alpha-15N-L-lysine Source=Mouse; Genotype=Aldh7a1-/-; RAW_FILE_NAME(Raw file name)=Hom_Na_2.RAW SUBJECT_SAMPLE_FACTORS - Hom_Na_3 Sample source:Primary mouse astrocytes | Isotope Tracer:alpha-15N-L-lysine Source=Mouse; Genotype=Aldh7a1-/-; RAW_FILE_NAME(Raw file name)=Hom_Na_3.RAW SUBJECT_SAMPLE_FACTORS - Hom_Ne1 Sample source:Primary mouse astrocytes | Isotope Tracer:epsilon-15N-L-lysine Source=Mouse; Genotype=Aldh7a1-/-; RAW_FILE_NAME(Raw file name)=Hom_Ne1.RAW SUBJECT_SAMPLE_FACTORS - Hom_Ne2 Sample source:Primary mouse astrocytes | Isotope Tracer:epsilon-15N-L-lysine Source=Mouse; Genotype=Aldh7a1-/-; RAW_FILE_NAME(Raw file name)=Hom_Ne2.RAW SUBJECT_SAMPLE_FACTORS - Hom_Ne3 Sample source:Primary mouse astrocytes | Isotope Tracer:epsilon-15N-L-lysine Source=Mouse; Genotype=Aldh7a1-/-; RAW_FILE_NAME(Raw file name)=Hom_Ne3.RAW SUBJECT_SAMPLE_FACTORS - Hom_C6_1 Sample source:Primary mouse astrocytes | Isotope Tracer:13C6-L-lysine Source=Mouse; Genotype=Aldh7a1-/-; RAW_FILE_NAME(Raw file name)=Hom_C6_1.RAW SUBJECT_SAMPLE_FACTORS - Hom_C6_2 Sample source:Primary mouse astrocytes | Isotope Tracer:13C6-L-lysine Source=Mouse; Genotype=Aldh7a1-/-; RAW_FILE_NAME(Raw file name)=Hom_C6_2.RAW SUBJECT_SAMPLE_FACTORS - Hom_C6_3 Sample source:Primary mouse astrocytes | Isotope Tracer:13C6-L-lysine Source=Mouse; Genotype=Aldh7a1-/-; RAW_FILE_NAME(Raw file name)=Hom_C6_3.RAW #COLLECTION CO:COLLECTION_SUMMARY Cultured cells were rinsed with ice cold 0.9% saline and metabolites were CO:COLLECTION_SUMMARY extracted using ice cold 80% methanol and dried using a SpeedVac before LCMS CO:COLLECTION_SUMMARY analysis. CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY DMEM containing 10% dialyzed FBS and 0.8 mM of either unlabeled L-lysine, TR:TREATMENT_SUMMARY 13C6-L-lysine, alpha-15N-L-lysine, or epsilon-15N-L-lysine. Cells were cultured TR:TREATMENT_SUMMARY in tracing media for 24 hours before metabolite extraction and analysis by LCMS. TR:TREATMENT_COMPOUND Stable-isotope lysine tracers TR:TREATMENT_DOSE 0.8 mM (Normal DMEM concentration) TR:CELL_MEDIA DMEM #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Dried samples were reconstituted in 50 µL of HPLC-grade water. Samples were SP:SAMPLEPREP_SUMMARY vortexed for ~10 minutes, then centrifuged at 21,000 x g for 15 min at 4°C. 40 SP:SAMPLEPREP_SUMMARY microliters were transferred to LC vials containing glass inserts for analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Merck SeQuant ZIC-pHILIC (150 x 2.1mm,5um) CH:SOLVENT_A 100% water, 10 mM Ammonium Carbonate, pH 9.0 CH:SOLVENT_B 100% acetonitrile CH:FLOW_GRADIENT 80-20%B (0-30 min), 20-20%B (30-40 minute), and 20-80%B (40-40.5 minute); the LC CH:FLOW_GRADIENT column was re-equilibrated using 80-80%B from 40.5-52 minute before subsequent CH:FLOW_GRADIENT injections CH:FLOW_RATE 100 uL/min CH:COLUMN_TEMPERATURE 25 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Exploris 240 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The LC was coupled to a Thermo Scientific Exploris 240 mass spectrometer MS:MS_COMMENTS operating in heated electrospray ionization mode (HESI) for analysis. The MS:MS_COMMENTS following parameters were set for HESI: spray voltage 3.4 kV (positive) and 2 kV MS:MS_COMMENTS (negative), static spray voltage, sheath gas 25, aux gas 5, sweep gas 0.5, ion MS:MS_COMMENTS transfer tube temperature 320oC, and vaporizer temperature 75oC. The global MS:MS_COMMENTS parameters included an expected peak width of 20 seconds, mild trapping, and a MS:MS_COMMENTS default charge state of 1. A 40-min polarity switching data-dependent Top 5 MS:MS_COMMENTS method was used for positive mode and a data-dependent Top 3 method was used for MS:MS_COMMENTS negative mode. Full MS scan parameters for both positive and negative modes were MS:MS_COMMENTS set as follows: scan range 67-1000 m/z collected in profile mode, Orbitrap MS:MS_COMMENTS resolution 120,000, RF lens 70%, AGC target of 300%, and maximum injection time MS:MS_COMMENTS set to automatic. ddMS2 for positive mode were collected in centroid mode at an MS:MS_COMMENTS Orbitrap resolution of 30,000, isolation window of 1.5 m/z, an AGC target set to MS:MS_COMMENTS standard, a maximum injection time set to automatic, and a normalized collision MS:MS_COMMENTS energy set to 10%, 30%, and 80%. ddMS2 for negative mode were collected in MS:MS_COMMENTS centroid mode at an Orbitrap resolution of 30,000, isolation window of 2 m/z, an MS:MS_COMMENTS AGC target set to standard, a maximum injection time set to automatic, and a MS:MS_COMMENTS normalized collision energy set to 30%. For both positive and negative ddMS2, we MS:MS_COMMENTS applied an intensity threshold of 5e4 and a dynamic exclusion of 5 ppm for 10 MS:MS_COMMENTS seconds, excluding isotopes. A targeted selected ion monitoring (tSIM) scan was MS:MS_COMMENTS also included for pipecolate and P6C/P2C, and the retention time ranges were MS:MS_COMMENTS based on elution of authentic standards (pipecolate) or from positive samples MS:MS_COMMENTS (Aldh7a1-deficient tissues). The tSIM scan for pipecolate was collected from MS:MS_COMMENTS 8-12 minutes in negative mode at an isolation window of 4 m/z (for metabolomics) MS:MS_COMMENTS or 18 m/z (for isotope-tracing experiments, to include m/z shifts), an Orbitrap MS:MS_COMMENTS resolution of 120,000, a RF lens at 70%, an automatic maximum injection time, MS:MS_COMMENTS and collected in profile mode. The tSIM scan for P6C/P2C was collected from 6-10 MS:MS_COMMENTS minutes in positive mode at an isolation window of 4 m/z (for metabolomics) or MS:MS_COMMENTS 18 m/z (for isotope-tracing experiments, to include m/z shifts), an Orbitrap MS:MS_COMMENTS resolution of 120,000, a RF lens at 70%, an automatic maximum injection time, MS:MS_COMMENTS and collected in profile mode. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Ion counts MS_METABOLITE_DATA_START Samples HEK293_13C6Lys_1 HEK293_13C6Lys_2 HEK293_13C6Lys_3 HEK293_a15NLys_1 HEK293_a15NLys_2 HEK293_a15NLys_3 HEK293_e15NLys_1 HEK293_e15NLys_2 HEK293_e15NLys_3 HEK293_unlabeled_1 HEK293_unlabeled_2 HEK293_unlabeled_3 Astrocytes_13C6Lys_SP1 Astrocytes_13C6Lys_SP2 Astrocytes_13C6Lys_SP3 Astrocytes_a15NLys_SP1 Astrocytes_a15NLys_SP2 Astrocytes_a15NLys_SP3 Astrocytes_e15NLys_SP1 Astrocytes_e15NLys_SP2 Astrocytes_e15NLys_SP3 Astrocytes_unlabeled_SP1 Astrocytes_unlabeled_SP2 Astrocytes_unlabeled_SP3 Het_C6_1_rerun2 Het_C6_2 Het_C6_3 Het_Na_1 Het_Na_2 Het_Na_3 Het_Ne_1 Het_Ne_3 Het_Ne2 Het_Unlabelled_1 Het_Unlabelled_2 Het_Unlabelled_3 Hom_C6_1 Hom_C6_2 Hom_C6_3 Hom_Na_1 Hom_Na_2 Hom_Na_3 Hom_Ne1 Hom_Ne2 Hom_Ne3 Hom_Unlabelled_1 Hom_Unlabelled_2 Hom_Unlabelled_3 HEK293_sgALDH7A1_a15NLys_1 HEK293_sgALDH7A1_a15NLys_2 HEK293_sgALDH7A1_a15NLys_3 HEK293_sgALDH7A1_unlabel_1 HEK293_sgALDH7A1_unlabel_2 HEK293_sgALDH7A1_unlabel_3 HEK293_sgTom_a15NLys_1 HEK293_sgTom_a15NLys_2 HEK293_sgTom_a15NLys_3 HEK293_sgTom_unlabel_1 HEK293_sgTom_unlabel_2 HEK293_sgTom_unlabel_3 Factors Sample source:HEK293 | Isotope Tracer:13C6-L-lysine Sample source:HEK293 | Isotope Tracer:13C6-L-lysine Sample source:HEK293 | Isotope Tracer:13C6-L-lysine Sample source:HEK293 | Isotope Tracer:alpha-15N-L-lysine Sample source:HEK293 | Isotope Tracer:alpha-15N-L-lysine Sample source:HEK293 | Isotope Tracer:alpha-15N-L-lysine Sample source:HEK293 | Isotope Tracer:epsilon-15N-L-lysine Sample source:HEK293 | Isotope Tracer:epsilon-15N-L-lysine Sample source:HEK293 | Isotope Tracer:epsilon-15N-L-lysine Sample source:HEK293 | Isotope Tracer:unlabeled L-lysine Sample source:HEK293 | Isotope Tracer:unlabeled L-lysine Sample source:HEK293 | Isotope Tracer:unlabeled L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:13C6-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:13C6-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:13C6-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:alpha-15N-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:alpha-15N-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:alpha-15N-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:epsilon-15N-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:epsilon-15N-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:epsilon-15N-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:unlabeled L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:unlabeled L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:unlabeled L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:13C6-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:13C6-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:13C6-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:alpha-15N-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:alpha-15N-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:alpha-15N-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:epsilon-15N-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:epsilon-15N-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:epsilon-15N-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:unlabeled L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:unlabeled L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:unlabeled L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:13C6-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:13C6-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:13C6-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:alpha-15N-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:alpha-15N-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:alpha-15N-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:epsilon-15N-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:epsilon-15N-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:epsilon-15N-L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:unlabeled L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:unlabeled L-lysine Sample source:Primary mouse astrocytes | Isotope Tracer:unlabeled L-lysine Sample source:HEK293 | Isotope Tracer:alpha-15N-L-lysine Sample source:HEK293 | Isotope Tracer:alpha-15N-L-lysine Sample source:HEK293 | Isotope Tracer:alpha-15N-L-lysine Sample source:HEK293 | Isotope Tracer:unlabeled L-lysine Sample source:HEK293 | Isotope Tracer:unlabeled L-lysine Sample source:HEK293 | Isotope Tracer:unlabeled L-lysine Sample source:HEK293 | Isotope Tracer:alpha-15N-L-lysine Sample source:HEK293 | Isotope Tracer:alpha-15N-L-lysine Sample source:HEK293 | Isotope Tracer:alpha-15N-L-lysine Sample source:HEK293 | Isotope Tracer:unlabeled L-lysine Sample source:HEK293 | Isotope Tracer:unlabeled L-lysine Sample source:HEK293 | Isotope Tracer:unlabeled L-lysine 2-OXOADIPIC ACID_13C1 0 0 0 0 0 0 0 0 0 0 0 0 4849.698512 6338.608061 0 0 0 8134.818749 0 0 0 0 4772.251162 0 0 0 50842.5955 215326.9893 167941.8691 183143.9971 253382.6912 221317.9237 257637.0226 294063.0482 218126.5194 177225.6681 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 28265.17608 0 0 0 2-OXOADIPIC ACID_13C2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17591.36824 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2-OXOADIPIC ACID_13C3 0 0 0 0 0 0 0 0 0 0 0 0 118464.2248 97057.55073 8023.374498 13066.64945 182081.1435 8935.494353 0 0 159720.3125 0 0 193234.9902 388332.7348 669141.5649 501507.7679 515508.5124 608437.0268 474312.3764 527375.3747 588767.1192 581753.2169 578578.9024 584924.9162 579723.8566 606274.0019 737589.2146 628362.0143 680964.5169 647020.1182 561240.8105 680846.3754 738784.8341 600372.1777 616582.5801 652912.987 696018.8767 0 0 0 0 0 0 0 31015.26629 25487.5926 0 70872.37608 0 2-OXOADIPIC ACID_13C4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10949.66806 9362.039061 0 0 0 0 0 0 0 9050.710223 0 0 0 12119.10411 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2-OXOADIPIC ACID_13C5 0 0 0 0 0 0 0 0 0 0 0 0 4355.905258 0 0 0 0 0 0 0 0 0 0 0 77696.47308 122320.4325 79231.84728 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2-OXOADIPIC ACID_13C6 624579.4707 534402.2926 583715.2745 0 0 0 0 0 0 0 0 0 49134.9782 38397.97081 47254.70014 0 0 0 0 0 0 0 0 0 3178803.772 4450133.688 2915260.167 0 0 0 0 0 0 0 0 0 180072.3287 202899.5812 113774.1592 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2-OXOADIPIC ACID_M0 103646.7024 114322.4258 261894.9131 277166.6754 209417.6656 90516.50927 702432.102 925561.8774 0 0 0 0 251380.561 264092.9061 391053.6867 422966.7871 407779.5333 351373.8334 466433.3886 415247.8296 476779.9474 281965.68 304955.773 369637.1603 348015.2591 404942.7759 347586.9849 3860467.782 3729638.149 2980893.13 4635577.019 3666052.336 4199415.351 4617003.426 4136287.3 3645913.726 78782.78704 15715.90984 66615.74774 266378.158 287995.9878 178151.3337 314576.751 390600.7392 285965.488 290838.8424 242490.2601 271429.0296 40332.39367 95397.13886 36076.62881 65192.54025 0 116040.5684 1849987.715 1747782.695 2185918.347 1409745.769 1854343.762 1580358.089 ALPHA-KETOGLUTARIC ACID_13C1 23058263.39 22586526.42 22122878.8 21952493.43 22650177.26 19906676.42 20153731.47 23975976.19 23013613.61 22222525.52 20827108.53 21349576.74 548097.4634 487330.5696 446435.9517 959326.817 1009017.564 1077226.579 891489.3491 815218.0174 781815.5905 554950.3775 488287.9879 639064.3745 1216650.943 1372626.587 1216590.363 1170914.558 1231291.605 1084635.798 1315986.785 1249833.434 1194116.504 1365363.665 1228113.317 1180837.653 954393.1041 1087399.389 1062726.582 1055302.116 1073994.691 958666.6673 1383377.443 1130601.925 1068724.07 1350151.037 1200796.853 1142583.682 30764728 31784036.61 31003799.43 29505267.15 31885832.46 32141479.62 29097307.13 28619926.65 29669153.29 28078695.52 29198609.82 28367416.61 ALPHA-KETOGLUTARIC ACID_13C2 1485739.712 1519052.812 1586591.027 391591.2833 410413.3414 338919.4494 359484.5047 425976.6111 417274.555 406842.0255 377438.3615 353165.774 4668.954361 2716.16565 4383.031794 2498.301427 3262.673571 2369.441668 4772.846663 11150.17617 3154.141078 0 0 1904.975503 228007.4432 283695.773 239169.0973 20099.74283 18278.457 16646.14642 20935.54974 16570.81593 17251.00952 12086.8843 19810.18311 14714.75694 27759.28943 30023.01948 33459.64552 13418.93204 23494.68163 17752.63704 29697.52842 13213.2965 16961.36892 15442.96636 19329.93681 16149.41709 577787.1087 651829.0758 593438.6933 494423.7641 549373.3209 615447.7841 547359.3064 509036.2607 548162.0138 553414.627 553011.0256 509529.8758 ALPHA-KETOGLUTARIC ACID_13C3 43574.34768 17542.9305 8047.838639 4595.254815 4526.717912 18858.70666 7865.518271 32474.86805 41083.1984 5051.152786 13809.09263 21248.91951 32472.59192 20045.46855 46057.92799 87125.14493 69888.82982 46057.66107 102243.7196 68476.34595 88438.87386 28012.22395 22013.03374 31596.47778 1700.947237 2484.893524 1680.870431 1788.334891 1710.031575 1648.245265 1613.956998 1658.757879 2017.407485 1615.525514 1714.312124 1622.398944 1600.500429 1459.242217 1478.142176 1645.612728 1495.253377 1447.594786 1661.101161 1535.361657 1532.869377 1355.773335 1327.088291 1354.804385 136822.6503 186893.5664 143714.2572 202366.8206 235701.6324 152786.3573 107746.2151 53449.91819 143217.7581 122854.5608 101635.2535 136299.4462 ALPHA-KETOGLUTARIC ACID_13C4 0 0 0 0 0 0 0 0 0 0 0 0 78692.65768 86460.03361 86123.83486 92905.6702 90419.02242 91474.32164 70693.10244 54843.1405 70516.09299 102193.8046 79411.31966 83135.8425 0 1307.712889 0 0 0 0 0 1055.756921 0 0 0 0 0 0 0 0 0 1254.444367 0 0 1407.820985 0 0 1097.332231 186144.9595 190534.7447 162719.4235 162536.8064 201353.4802 213575.8336 196495.1134 187960.3492 172617.8419 162092.1842 174275.9451 155495.3915 ALPHA-KETOGLUTARIC ACID_13C5 0 0 3911.555512 0 0 0 0 0 0 0 0 0 3734516.256 3559761.457 3442487.576 4127006.497 4173397.145 4212141.58 3484281.04 3155448.946 2916113.797 4419802.815 3441045.208 4223669.863 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7572912.668 7919786.61 7884374.751 6354056.402 7258054.318 7710846.504 7500466.196 7446994.925 7731685.976 6733060.409 6824878.56 6669400.261 ALPHA-KETOGLUTARIC ACID_M0 412554215.1 403541177.3 401543089.3 399190104 416935838.1 366564937.3 366562796 438060069.9 421239074.4 410986703.8 379207824.1 394945872.3 9791053.72 9266090.323 8561210.695 17782745.29 18568167.66 19680259.2 16230131.01 15339594.2 14963003.87 10569857.13 9528849.087 12227558.33 21893816.62 24107912.14 22152218.13 21658700.1 23702575.6 20526910.14 24457511.79 23459963.3 22646545.03 26397954.82 22190837.47 23034634.8 17949563.54 20050663.08 19091587.02 19654124.71 19986847.3 17843609.08 26231066.7 21863879.98 20429844.9 25035400.09 21870972.32 21146638.7 555775450.6 569504220.6 564127846.6 538589786.9 582704351.5 578409642.2 532536443.9 520790605.6 532787274.4 514344805.5 531151883 515061938.7 AMINOADIPATE_13C1 0 0 0 173929.383 0 0 4708827.242 4019691.028 4174016.928 1862021.578 2722924.683 3111037.322 18577.86583 0 0 45399.41105 81654.32977 74271.15382 623713.9006 597646.313 514212.7511 148693.3856 152115.9747 335383.9118 752536.7513 1000817.928 1135040.487 9660590.945 9057205.15 7477384.432 22214162.24 18920221.08 21744259.28 21072596.4 18840986.55 19740186.61 0 0 0 512251.3285 308900.1329 437378.4723 1658783.507 1508124.032 1315181.244 1145436.19 1344677.134 1261977.431 0 0 0 158122.7366 0 0 201938.9001 209257.5179 0 5082638.438 5294314.196 4641385.786 AMINOADIPATE_13C2 0 0 0 0 0 0 0 0 0 0 0 0 20175.37791 53194.66336 0 134493.2292 0 0 53969.99166 6830.607202 0 12385.69662 35187.17437 51025.20573 0 0 0 174351.7102 218966.2724 235785.5526 617994.7089 539451.3522 512642.2605 448755.5145 469554.0985 528492.1272 0 0 0 0 0 0 0 0 0 0 0 0 19188794.7 17787952.08 19048420.89 19115292.46 19351861.16 19460306.47 20708536.12 20575986.88 20464002.47 21388322.37 19898802.41 20074226.07 AMINOADIPATE_13C3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 459406322.2 443306706.8 481982118.6 497458610.3 454440077.4 458219209.5 524339715.6 509324835.6 494237428.7 513553437.6 520033250.6 487576140.2 AMINOADIPATE_13C4 0 0 0 0 0 0 0 0 0 0 0 0 0 17550.1741 17914.50556 10186.22181 13454.86532 58641.80274 0 0 0 19928.38612 0 0 72340.70886 39986.76707 59226.42456 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AMINOADIPATE_13C5 3010602.633 2766646.544 3121451.376 0 0 0 0 0 0 0 168524.9093 0 1044350.391 1427888.217 1343183.277 1193055.559 488488.6118 667404.0765 856374.5182 481472.1327 547593.6089 1264507.206 865504.6242 1435557.095 9665610.827 14733908.94 12506681.67 0 0 0 0 11163.77573 62693.3589 26929.58739 8416.70829 0 984162.8976 1029879.291 876172.5037 71196.83434 0 0 0 0 0 0 0 0 1669053.818 1158544.84 1624045.359 1958815.815 1635833.776 1498036.378 1768777.652 1803435.331 1935407.798 1684791.941 1565507.015 1789940.655 AMINOADIPATE_13C6 80426255.7 76706513.04 90170770.3 0 0 0 0 0 0 0 0 0 5954027.591 5412130.823 5132614.602 0 0 0 0 0 0 0 0 0 241859689.1 363073025.3 297608283.8 0 0 0 0 0 0 0 0 0 29192574.16 26996040.15 25725546.03 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AMINOADIPATE_15N1 0 0 0 62270634.53 57650299.49 65486575.9 0 0 0 0 0 0 0 0 0 6940619.854 6921605.792 7287094.84 0 0 28759.43163 0 0 0 0 0 25315.59732 174060899.2 171973012.9 151797536.1 1986758.443 1344412.65 1826778.681 809227.4555 838415.369 947360.8948 0 0 0 13750332.39 12533085.58 11409741.42 23201.19568 38996.59304 0 0 0 0 4517498.894 3793916.944 3391508.887 0 0 0 67941727.13 70547746.17 71272184.1 0 0 0 AMINOADIPATE_M0 1972850.263 1055717.006 2641449.532 10980539 10818791.05 10094348.47 63729218.38 67776542.64 69840877.34 48482828.55 50510528.12 48939523.39 1357306.841 1426066.132 1075073.288 3175664.794 3961001.495 3658304.029 10781910.59 11596821.23 10957734.5 5136110.19 5078105.516 6748449.548 14025792.09 17642228.31 18181364.26 145105581.4 139239313.8 115771327.6 325540577.7 271303460 311785816 305287878.2 291181667.2 293477773.8 1945412.436 1489812.73 1477787.669 9705545.284 8703630.574 8126367.654 27397390.5 26589267.74 21552578.38 22626068.68 22432491.43 23575844.46 1912571.245 2227841.971 3288637.563 7302023.732 7354766.283 7842547.442 15487007.35 15746693.57 16272868.63 84800919.12 89645792.05 89191993.25 CITRATE_13C1 83251999.71 81115044.94 79558128.17 77173031.35 88083566.55 74573391.02 75096936.49 81095933.36 82945370.35 79595040.23 76218874.22 81395194.88 60307910.31 63184773.45 62009257.51 77053949.96 67951833.92 78644289.53 81606506.17 68458803.61 66596496.28 63778587.96 57974643.34 63459923.03 17173157.35 21416769.1 20749419.61 38731977.19 17323194.35 11848494.99 18690580.67 18393599.19 23138591.09 34310335.72 37295737.14 38749720.69 26458915.19 25829917.16 24185538.09 17026248.73 15895159.06 13426104.99 31268433.27 26959233.8 28621409.77 15954024.61 17568062.11 15785277.88 91580523.79 90897478.79 93891761.76 94793543.79 91403677.8 92923290.7 78438394.66 80113175.35 80256539.92 77384433.02 83074303.08 76660900.63 CITRATE_13C2 10215211.2 9904326.892 10388977.71 1763997.095 2012340.558 1645040.655 1755903.554 1882131.302 1821220.102 1770597.392 1675986.204 1842605.87 1454854.454 1495269.262 1578666.541 1816445.631 1571374.22 1767335.148 1959018.055 1598419.788 1515881.441 1519233.851 1354675.55 1527744.718 3586783.332 4498964.71 3921596.693 957081.3494 419163.5435 267660.2165 438923.5117 426024.1793 555406.8309 794561.3818 892108.8456 890927.8322 1140464.446 1132979.803 982265.075 390361.6806 381148.5833 298239.9441 752463.9377 609214.5093 664303.1528 365169.2857 388342.6905 383162.6223 2192271.335 2042339.877 2073443.153 2115339.582 2049332.207 2203511.949 1760020.965 1822681.043 1777493.386 1696391.41 1732581.546 1740610.197 CITRATE_13C3 456715.517 425687.4363 423973.2795 0 2077.258012 4719.146813 6491.299875 6075.338331 9964.61391 6366.190287 7698.190281 6063.851025 2866.79398 0 0 0 2176.44492 0 0 13505.64767 0 0 11710.50968 0 156493.0924 176798.4806 147700.5595 6198.409023 0 0 0 0 6102.413642 0 0 0 19919.35608 14515.01804 15276.01726 0 0 1195.424745 0 0 1895.885127 0 0 0 14400.98636 0 18331.00738 0 0 0 10574.3182 0 0 20995.25894 0 0 CITRATE_13C4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5411.564513 11782.55979 3291.787729 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CITRATE_13C5 0 0 0 0 0 0 0 1344.456251 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CITRATE_13C6 0 0 0 0 0 0 0 1419.068223 0 0 0 0 0 0 0 0 0 0 2334.784638 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2126.528283 0 0 0 0 0 0 CITRATE_M0 1206916498 1174348138 1157585751 1142962407 1302452532 1094588792 1104031054 1190862469 1226371580 1160999840 1115793177 1196221046 884911952.8 928791960.8 913606816.8 1135921303 996367771.1 1143285082 1196761391 1008535125 976264139.2 937494547 861863659.7 934014400.8 247764399.2 307564535.3 299254798.3 567450109.8 255755006.8 175350257.9 276476967.1 272103454.5 344531044.8 505000266.7 548527493.1 574380487 389056749.4 377247192 357509905.8 252993698 235578256.8 200874805.7 460286904.6 400651197.8 425803621 238927192.7 260095181.9 235120696 1358479915 1347032605 1382135988 1403453031 1345793045 1375732198 1173149928 1184287740 1187962186 1147727797 1240268324 1139033215 FUMARATE_13C1 5598720.749 5447184.628 5416604.649 5100630.598 5551414.794 5329495.922 5360414.579 5719916.967 5603992.2 4921835.428 5314174.414 5349966.753 334174.0769 306574.5458 319636.5928 503492.2076 483971.0557 522367.4014 516035.5406 530863.1863 610224.5352 283095.1118 330186.8199 339479.0273 645380.3867 910275.3614 728773.3336 742443.8561 847845.7665 758712.7452 645061.2542 760309.1337 796514.4381 702715.3727 785384.0366 782000.7276 726328.3552 848369.4251 772335.2433 759671.3355 884852.7278 703879.1212 683476.3483 914498.7004 736908.8046 771376.4256 908570.912 871552.0664 5062885.475 5367577.11 5404141.55 4842453.115 5439468.649 5243645.98 4790792.268 4620100.23 4822230.306 4140138.379 4253635.632 4689697.135 FUMARATE_13C2 351043.2265 313398.3012 322717.3795 27599.59089 0 12942.94104 13341.60861 32476.20044 56189.75692 8262.932394 13998.70223 14150.67028 3061.754595 0 1819.450103 2646.434723 0 0 0 0 0 0 0 0 74458.38084 108501.1879 80332.78985 0 0 3010.75087 0 0 0 0 3617.352559 0 0 4000.283084 12441.44117 0 3529.036024 0 0 0 2803.032285 0 0 3162.816072 17326.94954 8356.840162 16010.3343 0 15199.85904 21196.97836 23543.76186 32867.11607 0 11305.4872 17516.49286 9741.077441 FUMARATE_13C3 16073.23747 67489.71072 48271.98781 13225.14038 55875.26912 75828.654 51575.60916 23252.87467 75149.00017 56293.54863 75126.82506 35035.08145 10955.84535 8076.54628 15350.40491 27038.24435 20918.43304 19254.86564 21279.86169 16695.42256 15529.06903 7892.025964 11248.79301 6763.875063 9021.858709 31932.15692 15640.46207 24036.99005 28582.74637 20921.33048 22441.74566 41034.87717 20480.15391 41256.48327 36724.61106 28029.07905 17335.14121 49257.6701 25844.13314 44658.23469 13805.85609 26691.75996 29276.01901 35970.58165 32518.21786 21157.94595 31003.35971 20361.90328 7563.656453 21836.44804 0 10494.09972 8137.241593 8491.939241 7123.599844 0 6471.743566 16107.95414 6532.472834 0 FUMARATE_13C4 28146.77659 25071.45408 20648.42813 17086.08509 38566.27359 40369.60012 27458.90686 30854.54374 23270.88115 36513.3273 25528.73839 28143.63935 186060.7024 154971.9113 166520.295 159373.1643 155879.2221 154153.4014 165623.3647 134220.3238 169210.7022 184684.8167 186635.4828 163183.1251 2002.925508 14965.25871 13479.52539 5062.072827 3951.049247 11663.88859 8523.482909 8568.376814 13171.87262 5211.107855 4007.140957 0 10573.97957 0 5291.577729 10199.91227 6962.212659 0 3843.584453 8280.116759 5268.751054 6262.09086 4313.161462 3439.421423 65145.12846 127939.0277 179347.3289 70337.90531 22434.74112 126323.2091 91564.22538 203567.3276 189612.1347 39270.00892 46830.64962 76021.35257 FUMARATE_M0 129160780.7 127512849.4 124270281.8 122072039 126296789.2 122564204.7 123036409.4 130254746 127761323.2 114788097.2 123803642.3 125185641.7 7340223.112 7101889.973 7110517.994 11476739.85 12130208.27 12678733.07 11490266.14 12251627.45 13723530.03 6124249.459 7685080.4 8127857.595 14078307.31 20024796.68 16594866 17112867.86 20314908.4 17497568.49 14496061.12 16969780.57 18202828.04 16064261.85 18184924.86 18670206.47 16097696.71 19523967.86 17684506.1 17398761.22 20667036.56 15626928.46 16039701.48 20047632.17 18020593.83 17179351.08 20641240.87 20236091.74 121630699.9 123519526.8 127052719.6 113422228.2 126755790 126727453.9 113503998 109892838.3 112606912.4 99629678.16 97018661.64 110776257.8 GLUTAMATE_13C1 238844406.5 239357131.2 249578049.4 228197017.6 239958751.4 241588550.2 237806058.8 242715050.1 244396683.3 242660938.3 239872834.1 241875233.5 25046490.63 21997269.43 21913103.83 30254035.66 31111691.98 31963009.69 33911573.72 31914753.63 34263248.91 21848159.52 24169005.4 25224450.45 30830724.74 45321127.26 39604357.3 35823850.5 37336654.65 34872966.71 34673575.79 38015283.06 37818387.94 36331154.11 37975866.9 38470747.34 38907494.67 41623260.17 38572591.55 37995829.07 40308304.45 37243488.73 35667367.55 39983249.69 37767313.26 36332201.38 36668902.58 40786361.2 388408984.3 385205278.6 388605035.3 379783738.9 380753135 380162138.6 393637576.7 391665830.1 407697596 390773280.2 389876954.4 388666446.3 GLUTAMATE_13C2 16666748.87 15895308.09 17761390.13 3863691.582 4429682.987 3912489.617 4141496.731 3854109.839 4227181.497 3931525.104 4010694.402 4314419.024 519017.8418 405427.5588 389537.2811 396636.0232 280703.3319 421475.1486 362171.2255 232400.9209 83270.06038 278370.083 264056.2196 339330.9547 5835769.242 9497992.389 7719974.465 548397.8756 647566.2507 481684.9125 553472.8971 680767.4387 764388.0483 501463.8236 661727.6357 563927.2818 1492437.119 1478110.895 1604963.262 634599.8167 623023.3275 648335.9248 624866.761 856048.7882 539407.1537 658940.2437 612991.9791 717599.6029 7575769.712 6960034.197 7142016.909 6634929.091 7132897.105 7288325.729 6880117.079 7331055.54 7256955.466 6692565.403 6704021.013 7420405.321 GLUTAMATE_13C3 456645.2799 359356.7268 422281.3921 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 63210.0934 188507.6029 130241.245 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 63625.77548 0 0 0 0 0 0 0 0 0 GLUTAMATE_13C4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 373878.3612 278518.6834 150291.2313 184634.7857 199957.601 368447.8711 0 107978.0118 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 142700.1908 0 0 0 0 GLUTAMATE_13C5 0 0 0 0 0 0 0 0 0 0 0 0 10603617.52 8275622.747 9772017.883 25970565.58 24855969.75 24714299.73 27701491.18 25483670.46 30131517.69 9034414.809 11746124.22 10534308.86 0 0 0 0 0 0 0 0 0 0 0 0 0 55070.75125 0 0 0 35676.75149 0 0 0 0 0 0 3473286.026 4468045.962 5985788.435 891283.1023 1342617.147 2151314.283 2487228.565 2747268.271 4476947.077 1257172.886 1197567.029 1060035.686 GLUTAMATE_15N1 15270276 14653761.43 15865286.11 22357240.45 24148569.11 23569398.88 29092490.95 28830886.28 29779442.73 15535720.3 15419293.42 15815539.25 19561336.93 17001524.93 17933392.72 46495538.52 42605253.11 43940811.93 50412054.72 49714291.88 54844063.12 17648245.63 22362393.9 20271668.5 1977166.174 2818350.274 2555182.266 7017843.166 7304686.241 6501963.222 7947738.68 8484322.55 9036160.092 2241229.373 2501454.754 2421375.743 2581456.354 2679340.888 2694436.252 3031944.694 3464699.448 3093356.996 8528122.977 9594007.805 8409560.606 2151951.45 2327137.096 2415292.11 90130975.55 90650298.42 104005188.8 56643504.47 64671790.38 77256962.03 88258484.67 92154002.76 104071419 60602726.32 62367776.48 60086344.96 GLUTAMATE_M0 4278743255 4337216354 4426745504 4167731166 4449460225 4368593523 4317229485 4429426512 4496652862 4392489385 4405663128 4436365167 433994622.1 408666883.4 404427748.1 561799117 562773244 581702274.4 607838412.4 598216705 609289424.8 398372969.8 441925335.9 476218691.5 555868346 779854576.4 682648764.9 652510636.3 694794730.7 636716326.9 648263972.5 716046078.4 709861525.2 665866581.4 709170723.4 708200885.5 706700135.4 763454783.4 699996503.5 700743450 753455287.4 676804632.3 658165901.4 724625354.3 679886114.6 680076535.8 697900559 739467083.2 7001815162 7025354452 7157110807 6945429317 6899251309 6900916530 7158757683 7093837979 7439053339 7154441975 7084296679 6995760146 L-CARNITINE_13C1 111777640.9 109398765.4 110478024.3 102137972.2 104162739.5 99857468.67 103736014.2 106838770.6 103410182.4 103203693.4 107536980.5 107172668.5 719752.2506 821629.4761 770947.6999 1251729.906 1108178.91 1172153.396 1537589.341 1393958.677 1429589.478 918398.0971 951908.1067 2914025.583 805891.9896 1074955.717 1047641.851 1120579.269 978845.2935 872810.1839 1555476.263 1110586.582 1267443.607 1542651.29 1266301.307 1181596.673 920972.7094 989044.0325 868350.1153 1109099.262 1157022.553 773050.2279 2151920.834 1672345.562 1232955.07 2201520.734 1495369.848 1362516.628 137985867.3 137029680.9 141630568.6 144591191.9 137823674.3 135105326.1 84071225.94 83147207.56 86672461.98 84973479.94 85267967.55 84209719.42 L-CARNITINE_13C2 3446953.479 3384038.374 3552902.746 3201916.262 3524624.18 3239762.65 3397266.02 3328020.313 3479459.769 3398043.923 3561953.145 3315363.005 0 0 0 0 0 0 13171.50303 0 0 0 0 13023.51027 0 0 0 0 0 0 0 0 0 16591.83801 0 0 0 0 15385.75724 0 15900.7164 0 0 0 0 0 32956.5182 15692.43684 4549445.073 4549166.894 4496144.025 4851081.363 4718226.633 4482146.678 2653552.411 2525082.179 2952917.344 2872952.71 2899228.077 2729813.514 L-CARNITINE_13C3 0 0 15720.62853 21418.68938 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12687.77564 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 23908.95081 0 0 0 22113.36989 0 0 0 L-CARNITINE_13C4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 L-CARNITINE_13C5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 21349.86228 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 L-CARNITINE_13C6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 L-CARNITINE_13C7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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14277360.29 11693913.5 14519190.72 15582975.05 11491344.04 27470587.26 23412414.34 15078692.48 27737288.26 20551222.67 17685880.04 1664879907 1678495214 1718403939 1769396896 1680300489 1644391927 1033276509 1020548581 1061967447 1037509073 1047516664 1022040553 LYSINE_M0 15161884.29 14254268.35 18350270.4 15688726.65 16444493.54 16810400.74 16594069.72 17333624.29 16724882.28 480623959.9 517598548 449276704 2455111.937 6176063.209 3269171.974 4958817.877 4565670.036 5364707.557 5466781.264 5642858.948 6049111.235 178292200.3 168803621.2 219780471.7 13740363.01 19027176.87 18221283.61 18178598.32 18739118.84 15014601.76 20415463.42 19195175.44 21492614.46 309143312.1 306193330.2 298113006.2 15319436.83 17250733.05 15235792.25 17571791.51 19035113.34 14882916.89 26982703.07 24640684.96 19939681.83 293690013.1 305583204.2 280326854.7 62362063.47 62099877.18 66480041.77 845236397.9 859900741.6 851979979.3 46764244.76 47440496.23 52796487.37 780837890.4 823437938.7 811686738.9 LYSINE_M1_13C1 1041659.216 972535.2269 1233327.98 0 0 0 0 0 0 31104233.48 33723208.36 29298789.92 161187.9503 396134.925 212315.442 0 0 0 0 0 0 11431406.53 11067491.92 14412707.06 929057.4718 1285362.225 1290379.389 79167.14204 10006.58809 17988.46747 20847.55197 16622.37918 46029.4079 20269105.66 20120311.24 19498538.96 1122776.614 1158985.93 1042797.603 58604.49917 15707.15098 39625.83868 35643.56283 10773.42205 15122.53385 19141465.16 19798424.65 18465833.84 13141.48368 28704.72201 32638.35311 55075288.63 56070202.04 55073952.38 2664.540909 2617.413591 9318.191997 51360623.86 53661568.36 52864542.62 LYSINE_M1_13C2 0 0 0 0 0 0 0 0 0 799212.4102 902755.2306 796932.1773 3243.551279 0 0 0 0 0 0 0 0 274625.8321 271470.3145 359603.5009 1644.907072 3491.238592 2411.16779 1546.298206 0 1358.406123 0 0 0 506726.1936 514028.3534 494747.316 0 7857.935354 0 0 0 1357.886815 0 0 0 475909.6502 452267.5767 441290.283 0 0 0 1372552.25 1471228.76 1405058.191 0 0 0 1283695.47 1381449.923 1261643.842 LYSINE_M1_13C3 0 0 0 4107.726645 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LYSINE_M1_13C4 506675.7401 567878.6933 450296.8289 0 0 0 0 0 0 0 0 0 107732.3667 94412.3695 102844.2523 0 0 0 0 0 0 0 0 0 246476.2507 300977.1414 262469.287 0 0 0 0 0 0 0 0 1343.59666 250168.3659 285728.0016 258283.4313 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LYSINE_M1_13C5 25661061.94 26361135.32 22787917.01 0 36129.61939 14953.01642 12959.95553 8555.301617 0 3588.040854 0 0 5340307.051 5153086.573 5482943.533 62170.21082 35196.20463 16715.31855 53143.16336 0 132050.9138 33176.07083 124983.0914 0 13077689.03 15687561.99 14471247.86 0 0 0 0 0 0 0 0 0 13752341.55 15006263.57 13486441.24 0 0 0 0 0 0 0 0 0 0 3949.7363 2448.294602 0 0 0 0 2760.72555 0 0 0 0 LYSINE_M1_13C6 595478183.5 613506853 522572470.4 213735.2237 5595.915605 1234.508194 0 88718.353 0 224999.3462 1561.460831 0 132396680 124643298.6 132005482.4 0 21589.46672 0 10839.34205 0 2084.432844 175336.3733 135448.2832 0 305718436.8 362746857 335246442.5 0 0 0 0 1299.799816 0 191844.7672 32172.94324 0 315656840.5 350247152.9 312310723.6 0 0 30668.13075 170968.4697 0 0 0 1507.170571 0 0 0 0 0 0 0 0 0 0 0 0 0 LYSINE_M1_15N1 356442.3765 246906.0926 237296.6663 525597425.6 558045142.8 590769409.4 550720132.4 572370317.8 565546875.4 3683873.046 4010023.952 3506993.614 197489.4626 283120.4734 278410.823 187498569.1 173729216.6 211004720.7 214651510.7 198567102.1 212806099.9 1390779.316 1308178.073 1807258.423 173829.4782 260665.3263 549436.734 311299572.3 326887808.5 275523590.2 338754612.4 316401903.2 364494602.4 2453478.764 2346308.078 2147465.969 479071.3233 438491.8686 206243.1179 282107218.2 296952834.1 241252159 393881828.8 387629724.8 339611759.5 2291009.665 2468815.29 2314310.953 765355084 778435576.7 813489486.7 6374317.247 6499137.247 6533910.498 767640479.6 737956045 809078687.7 6170425.319 6243627.431 6133298.266 LYSINE_M1_15N2 0 0 0 1964532.799 2058249.82 2234345.812 1998206.72 2000741.892 2065648.693 0 0 0 0 0 0 647111.8369 635203.641 743827.0307 747319.5027 714165.957 738700.3392 0 1209.135207 0 0 1365.77594 0 1135210.099 1198842.827 1015201.907 1176446.546 1111382.189 1281587.014 0 0 0 0 0 0 1039164.3 1068872.429 856790.9063 1377537.944 1405287.069 1241928.18 0 0 0 2786297.519 2963989.463 3038762.716 0 0 0 2878781.892 2666289.644 2971385.322 0 0 6334.95195 MALATE_13C1 85382143.79 82714246.25 81595829.05 78419779.17 81450878.58 78967689.02 77635566.41 81425366.23 81004517.82 73820792.38 78451467.06 79756460.89 6961580.788 6899032.979 6681835.262 10375558.29 10636231.92 11190212.49 10004646.43 10205595.63 11771044.91 5929354.678 7105638.244 7166671.421 10502590.47 14053952.44 12067256.29 11410777.1 13290316.86 11640461.69 9900799.338 11160569.5 11844140.62 11131237.92 12361549.84 12356062.04 11377177.07 12672926.92 11892063.5 11327431.75 13775705.56 10622656.41 10898657.04 13136716.29 12103626.29 11580329.33 13643816.13 13509702.6 88121718.97 88894463.21 91156020.43 79498106.83 88838685.11 90817295.76 82635535.43 81140522.62 83342137.48 81737289.27 81936380.62 82279517.15 MALATE_13C2 5089130.941 5111416.587 5103910.748 984069.3127 1088258.797 1116753.201 1092324.518 1080003.85 1055992.53 986331.8577 1055263.914 1108879.812 133316.7654 137711.8691 134236.6795 140113.7457 154507.9717 162016.4972 135964.0247 131800.8165 134433.213 81757.58426 85869.5248 82654.23319 1343751.112 1915580.177 1449385.596 154347.6744 183758.2951 159758.815 126214.4255 144473.1828 175308.824 146627.1292 158960.7186 163908.4986 314750.2693 385998.0031 320272.3459 151597.2104 199547.2791 132304.3351 145698.671 164389.4187 162930.361 154665.1084 177672.6677 183413.5011 1250578.279 1315579.896 1181539.876 1166403.111 1420140.591 1267108.281 1106380.215 1210066.292 1176713.556 1131507.535 1113964.191 1138538.752 MALATE_13C3 0 0 17476.87544 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17021.79928 8641.726975 22818.35695 0 0 0 0 0 0 0 0 0 0 0 0 0 1233.602361 0 0 0 0 0 0 0 93147.19762 11024.87017 110196.8613 0 21986.94288 45258.26868 30466.27782 67928.6696 21013.67484 0 0 0 MALATE_13C4 0 0 0 0 0 0 0 0 0 0 0 0 208778.2336 194069.5294 228279.8383 191340.023 193076.9357 162205.7127 150257.0012 174615.9983 157041.4623 207858.5861 185836.7348 171199.4408 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6070533.818 5468851.296 8081557.134 1653262.427 2436051.338 3891142.095 3881949.054 5330154.262 6379586.236 2127494.554 2044936.262 2287757.576 MALATE_M0 1925638029 1878255722 1842963449 1815278250 1871995678 1830248493 1798928690 1892431985 1873789494 1714461264 1821322521 1862237865 157122636.8 155972490.8 154708509.3 236572809.4 245691248.8 255927911.2 231923105.1 239030422.2 272155914.3 138365803.9 166870520.2 168674133.9 227140770.3 311010816.6 263067581.7 265288154.2 308815227.2 270012193.5 230439486.3 259360449.4 273090767.7 254857405.6 285191184.5 286183508.9 260795177.2 295646450.4 275236234.1 263592923.6 318743306.2 244363584.1 255181081.5 306235987.7 280315655.6 269828763 316929845.3 312799504.9 2036174271 2048791039 2116283065 1857245878 2050291514 2103330425 1906888572 1874007137 1915397602 1885902196 1878367101 1894753013 N,N,N-TRIMETHYLLYSINE_13C1 1747802.032 1522257.703 1440492.519 171636.887 210675.8428 179784.879 17498.98965 81023.23914 129437.358 3841049.991 4333218.242 4021763.128 65746.2827 96059.00996 78823.94405 155962.5473 146235.8517 147415.9585 163491.6984 152364.0994 155806.9846 115285.1318 147199.1256 725615.1172 531384.7333 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6523813.486 6392270.942 6801943.164 11737331.74 11536926.85 11362048.47 2621961.769 2796750.147 1336256.141 8298035.973 8034598.038 8255541.061 N,N,N-TRIMETHYLLYSINE_13C2 55946.12722 43553.9432 43818.82394 24139.70659 19584.03926 35073.20248 30685.5006 21169.55346 25247.16551 141105.8683 167700.7878 130270.3999 0 1903.085872 1071.73013 1578.391507 3487.705046 5331.178009 0 1589.294254 4031.489261 813.6791921 1641.814736 20362.33341 16098.76698 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 234870.0873 228759.487 225401.4023 406603.994 417317.7568 446705.3938 109349.8825 121966.3985 141230.4244 300114.542 285844.8599 275704.0401 N,N,N-TRIMETHYLLYSINE_13C3 0 0 0 0 0 0 0 0 0 0 0 0 4268.118263 0 2201.49743 1263.875455 1431.165282 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3520.752708 0 0 0 0 0 0 0 3375.410427 N,N,N-TRIMETHYLLYSINE_13C4 7646.895488 13310.87801 4994.997067 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N,N,N-TRIMETHYLLYSINE_13C5 1289590.271 1222503.373 1189495.793 0 0 0 0 0 0 0 0 0 7815.305148 19155.78722 18457.26011 0 0 1448.639913 0 1574.408966 0 1326.678344 1340.319677 0 94652.76166 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N,N,N-TRIMETHYLLYSINE_13C6 30020773.72 28710328.54 27621408.26 0 0 0 0 0 0 0 0 0 648188.8545 688144.8114 638945.3757 0 0 0 0 0 0 0 0 0 2516629.369 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N,N,N-TRIMETHYLLYSINE_13C7 892532.2903 847285.4539 862305.5904 0 0 0 0 0 0 0 0 0 9355.735199 10116.47178 5489.480194 0 0 0 0 0 0 0 0 0 65765.06208 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4410.994425 0 7432.011915 7586.476898 3877.899568 0 7722.954803 2566.193832 2688.536422 11940.8633 0 N,N,N-TRIMETHYLLYSINE_13C8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N,N,N-TRIMETHYLLYSINE_13C9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N,N,N-TRIMETHYLLYSINE_15N1 79329.45347 60637.04052 61967.0685 24825187.48 27487003.84 26301993.39 28475393.99 29668164.14 28915685.36 242855.4568 291992.311 266428.9023 0 0 1159.679564 1228831.062 1178390.899 1281669.281 2179344.538 1975846.494 2183862.082 0 0 38683.05486 20880.82578 14343.47629 0 6122.746408 5336.669591 0 5274.711894 3931.364398 0 0 38281.54372 11176.8153 19659.3334 4606.753576 19604.37665 10581.31716 8251.80417 0 0 0 4885.697201 0 4981.708345 14160.32583 50707483.87 50805088.03 53032758.87 865235.3512 776045.2258 779091.5114 42596480.35 41312682.81 42212568.65 532252.4149 520574.0201 555165.9779 N,N,N-TRIMETHYLLYSINE_15N2 1849.62312 0 1904.480579 86508.36376 77797.0091 91137.01002 90032.98877 79716.87683 70780.18563 0 0 0 0 0 0 0 0 0 0 1243.98164 0 0 0 1068.125823 0 0 0 0 0 0 1575.055419 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1383.533199 0 149785.9918 175937.1331 173242.9114 0 0 0 132671.7837 122617.5239 140797.9511 0 0 0 N,N,N-TRIMETHYLLYSINE_M0 18502499.89 15466080.63 15052753.68 14385055.62 15333121.03 14842813.6 15066455.55 15894273.07 15463326.76 39154123.19 45429078.24 41022097.01 770779.1392 1183104.412 920113.22 1697719.666 1559448.248 1680782.402 1770561.122 1744784.651 1929655.635 1354241.436 1697669.246 7513847.116 5623493.634 0 1067.044224 0 0 0 0 0 0 0 0 0 1541.499582 0 0 1739.234479 0 0 0 1200.446837 0 0 0 0 70886125.4 70343176.21 72048720.57 122266770.8 118505777.6 117158218 43539750.48 42769039.51 44473414.09 85373009.18 83133160.4 84330027.53 N-EPSILON-ACETYLLYSINE_13C1 0 0 0 0 17381.24379 14275.07394 0 0 0 300769.6676 268399.3696 237644.8454 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14610.17254 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397093.0085 137093.7604 526153.8446 1457627.749 1688132.543 1610600.978 174916.3134 0 231282.185 1116409.975 1180006.383 1172023.595 N-EPSILON-ACETYLLYSINE_13C2 14398.69686 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6632.027658 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-EPSILON-ACETYLLYSINE_13C3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-EPSILON-ACETYLLYSINE_13C4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-EPSILON-ACETYLLYSINE_13C5 47134.27143 67558.82501 63679.75319 0 0 0 0 0 0 0 0 0 11655.07902 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-EPSILON-ACETYLLYSINE_13C6 4550084.189 4414600.571 4162990.866 0 0 0 0 0 0 0 0 0 69109.42724 52928.37336 33607.1652 0 0 0 0 0 0 0 0 0 311563.6441 516299.8567 289996.0335 0 0 0 0 0 0 0 0 0 361871.7927 529270.7758 313296.2814 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-EPSILON-ACETYLLYSINE_13C7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-EPSILON-ACETYLLYSINE_13C8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-EPSILON-ACETYLLYSINE_15N1 0 0 0 4035127.848 4250230.646 3933545.6 4126073.198 4220490.848 3879252.18 0 0 0 0 0 0 448836.8547 352652.9645 428088.0365 413745.5492 474184.4941 538816.8808 0 0 0 0 0 0 349394.9361 341500.9121 259841.365 340714.6515 317730.283 370023.1253 0 0 0 0 0 0 395514.7384 437348.4166 256193.2935 440206.102 426785.9524 331910.7372 0 0 0 13003105.31 13390259.98 13736461.06 0 0 0 10809934.43 11222745.22 11254431.32 0 0 0 N-EPSILON-ACETYLLYSINE_15N2 0 0 0 0 17130.82216 0 0 0 15124.91096 0 16627.46287 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 16301.69234 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-EPSILON-ACETYLLYSINE_M0 776232.3631 624069.8148 727358.0606 650309.9497 749702.3502 669545.5914 420574.5679 717895.5987 633501.5858 4528098.267 4630463.819 4571481.748 94988.83845 127627.1168 66493.28092 39402.46389 28478.11191 60419.61301 25080.10548 51391.63584 100744.9475 190552.963 95007.2819 424725.2605 43456.02015 21065.55176 39469.75483 13933.7564 6740.081945 35181.57988 43597.7433 42652.97377 63716.48623 565947.3778 479629.0433 475751.5697 16210.54362 20133.13529 34282.75467 20341.00826 39705.60949 31950.30554 36021.97536 34440.30451 76990.07621 464727.0873 469449.9095 442977.7316 5718691.781 5730358.352 5694718.892 18408577.13 18318362.65 17905661.95 3514696.962 3619351.34 3823920.29 13976867.27 13876753.75 13789727.76 O-ACETYLCARNITINE_13C1 70143422.13 67657998.49 69233696.4 65651400.89 68005199.8 65484146.68 72610808.53 74476737.95 69914208.63 61707869.85 66861979.58 65435423.93 1162609.528 1095143.164 1092081.519 1210181.128 1332728.547 1396393.148 1232235.148 1240662.664 1420905.702 789751.9472 1070441.022 1563842.757 1824363.976 2428660.698 1313545.9 2314251.32 2406804.83 1714127.327 1912880.984 2137066.634 2603231.734 1827215.193 2243896.058 2554179.921 1725260.408 2218369.121 1827337.426 2323947.736 2668621.463 1557978.282 1505328.145 2303144.776 2234333.304 1992634.836 2525636.984 2619949.831 72256181.85 72077846.07 72292371.95 70303312.93 69779470.06 71291816.57 46721320.04 47651979.21 48491124.57 47176419.37 47620736.98 48320383.94 O-ACETYLCARNITINE_13C2 6536133.412 6585003.223 7332266.077 2240633.382 2273311.667 2263302.601 2641392.599 2610995.643 2499932.87 2185520.061 2345719.747 2189365.027 35497.30975 31460.13271 38293.02518 18654.99713 17818.3546 21585.18883 48430.48709 4451.112603 18329.08347 3032.054102 10517.73606 23957.91834 589930.2725 736725.0538 362790.0557 43788.69316 69635.38924 29309.80108 39726.2202 77745.55105 81448.3206 47354.97678 48935.98767 65891.67421 126447.8156 169171.1138 125684.523 57570.74958 73756.6862 20096.31003 30978.65355 63553.09715 64641.18334 49879.79249 48332.94093 67164.96322 2396613.875 2546451.966 2433668.372 2258428.217 2486534.591 2517016.191 1675944.097 1628394.904 1718250.203 1718881.868 1602351.396 1681475.274 O-ACETYLCARNITINE_13C3 191374.573 190478.7285 297474.9053 9028.067823 17738.89357 24761.16345 0 9128.904969 0 0 0 16318.44252 0 0 0 0 0 0 0 0 0 0 0 0 16272.21877 25588.11855 2892.253571 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15436.61871 0 0 0 0 0 0 O-ACETYLCARNITINE_13C4 0 0 0 0 0 0 11431.87846 0 0 0 0 0 0 0 0 4307.117696 0 0 0 0 0 0 0 0 0 3152.15392 0 0 0 0 0 0 0 0 0 0 0 0 2543.592589 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 O-ACETYLCARNITINE_13C5 0 0 0 0 0 0 0 0 0 0 0 11786.95302 0 0 0 0 0 0 0 0 0 6463.338846 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2745.711271 0 0 0 0 0 0 0 33664.70914 107607.8474 0 40864.34247 0 0 0 0 33215.22481 0 0 106998.2649 O-ACETYLCARNITINE_13C6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4398.047327 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 O-ACETYLCARNITINE_13C7 0 0 0 0 0 0 0 0 0 0 0 0 2214.059413 0 0 0 0 0 0 0 0 0 2429.236915 4869.925881 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 O-ACETYLCARNITINE_13C8 0 0 0 0 0 0 0 0 0 0 0 0 7188.714065 5955.088805 3652.266141 5013.540452 3989.714852 11897.47824 3698.578762 0 3410.165701 21643.66441 4384.21079 4482.494412 0 0 0 0 0 0 0 0 0 0 0 0 3108.240033 0 3263.191927 3467.677878 0 0 0 0 0 0 0 0 0 0 11534.48836 0 14311.7997 0 0 0 0 13625.93905 0 0 O-ACETYLCARNITINE_13C9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 O-ACETYLCARNITINE_M0 725375908.3 701297379.8 717806043.8 681137590.4 705689522.8 683876228.1 754747140.9 769685364.5 723377800.8 642754924.6 690192610.3 680926317.5 11801217.54 11883188.94 11457277.1 13488748.23 13382046.68 14569473.18 12203652.62 12535469.45 14124907.86 8252511.616 11374905.16 16345607.02 19193772.09 24952831.29 14009535.43 23705791.22 26353743.85 18211302.28 19796683.65 22365527.2 25807363.19 18881033.65 23637249.21 27010511.6 18537744.09 23506710.56 19726320.87 24413621.72 27575308.21 16629057.73 16216807.13 24307448.54 23927279.39 19937046.69 26089645.97 27903952.13 739933296.7 746762959.2 749309617.5 729307362.7 716475192.2 732026725.6 489491348.2 497610336 498384148.7 489753135.8 498787480.1 500463774.7 PIPECOLATE_13C1 832.7031954 936.228007 0 0 953.53621 0 857.0244857 0 0 832.0522438 3514.044759 0 0 732.1075875 293.1920842 751.8003121 637.1105526 306.9728786 296.3658698 0 392.7112188 0 0 0 2034.560607 4342.687042 2188.075498 5007.903554 581.1450477 4301.340843 9694.095071 7001.329085 16611.23069 7397.231492 12958.98028 10130.46212 4084.947631 6981.027814 0 10675.99103 1518.139655 2956.299177 33255.58666 23221.01199 21958.85929 22109.83672 23140.8123 25597.011 5592.818588 1136.016694 3564.278795 80644.4818 63606.24349 78998.37413 2215.550259 3061.972824 2804.279893 2668.602831 2155.837553 3034.740066 PIPECOLATE_13C2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PIPECOLATE_13C3 0 779.779524 12626.56534 66985.43889 52965.16635 0 816.2373738 2234.203413 0 70093.00253 2988.514899 30320.86539 915.4562 244.0043647 587.837224 0 675.8760713 755.2100715 0 0 308.3189744 1623.589173 0 1665.121606 9920.226947 5320.278638 0 0 0 9835.963061 0 0 0 13552.82147 0 0 22457.02751 11217.88738 0 16145.87125 0 18831.4601 13028.6936 1825.649272 0 2507.194258 2831.167848 9007.324782 9084.589448 0 0 0 12235.58309 0 0 0 0 4447.749586 4474.669863 0 PIPECOLATE_13C4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 390.1779328 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1905.832823 0 0 0 0 0 0 0 0 0 PIPECOLATE_13C5 0 0 0 0 0 0 0 0 0 0 0 0 0 896.6951268 988.749578 0 0 1096.806569 0 0 928.1905104 0 0 920.1781367 0 665.4978782 1691.725068 0 847.5245525 0 382.813633 0 0 0 0 683.951009 9741.203145 11201.8144 9370.184799 0 0 0 0 0 0 0 0 0 9824.284878 6012.060385 0 4614.034681 3610.018548 10086.5547 3686.846799 1523.879375 6864.174138 11402.39098 856.127191 7226.208147 PIPECOLATE_13C6 4360.04801 2475.174647 5384.560046 0 0 0 0 0 725.720301 0 0 0 10588.83306 5324.892635 5236.036789 0 238.7786713 0 0 0 292.2725442 0 0 696.4128055 64401.17414 78591.3339 65981.32988 0 0 0 0 0 0 0 0 0 240611.4273 264644.7996 210828.5539 0 0 0 0 0 458.2229843 0 0 0 792.1605518 0 0 565.6860144 165.0756761 212.0258336 556.3031765 140.05126 0 151.8889937 190.9678247 0 PIPECOLATE_15N1 0 0 0 0 6072.978643 1756.065863 0 0 0 0 0 0 0 249.9924194 0 3633.028101 4394.168793 3661.958319 8850.929776 4002.03199 9833.304444 0 0 0 0 0 394.0573815 80007.35377 82538.63333 69016.11968 4350.132213 2932.87837 2772.570112 0 523.3005507 1153.768897 0 465.359928 816.688003 235616.0395 249489.281 179352.9926 6563.074809 3481.487991 3039.234774 839.1113677 0 1845.205388 1039707.671 1049907.178 1082039.059 10764.61343 14498.09881 17582.09059 30909.18193 29588.54191 32803.5975 7766.611857 4226.591547 4231.846233 PIPECOLATE_M0 0 0 29061.22461 29221.73937 0 0 11312.36887 26067.01679 24409.59721 0 0 0 21160.6062 26251.30144 28822.64537 46278.77229 48983.78078 65715.12145 33630.43635 36677.29334 28601.65535 23488.17643 57853.6558 46418.50695 19510.58146 11491.28884 14440.93788 15122.9301 16310.86649 9749.669013 105888.4408 101659.1168 89830.58845 87673.4352 94758.76856 94275.13364 22999.18153 25031.40143 31168.62993 22934.53215 30306.00066 11226.50321 349706.6154 347973.4657 248086.3078 270824.0776 289520.6969 315886.4555 104566.4843 122273.2351 110708.7351 1267588.719 1177549.097 1189197.189 15747.14292 21388.50338 16303.1633 27874.71331 35083.69602 28760.00228 PIPERIDINE 6-CARBOXYLATE (P6C / P2C)_13C1 29208.81425 26348.36906 0 20912.82378 28004.8867 0 185675.1747 177305.7954 203672.611 157007.7241 89865.89924 110734.5258 7694.47145 8101.645106 0 4095.762068 0 1495.118549 4362.145586 21807.18982 0 10320.79712 4136.532224 7182.846144 19641.13139 5201.422644 22924.11391 0 0 37828.61709 334999.3988 186940.894 484506.2984 338838.0697 261166.7176 359254.3475 177942.93 174476.094 151737.0139 130276.4401 127772.1954 38839.91616 7627277.002 7289430.492 5563110.132 6075041.598 6152569.094 6132682.106 49346.26933 31916.83726 24919.93548 153218.6973 219792.0276 207475.7812 12420.48893 26737.24245 0 30197.41338 12212.3019 12327.40255 PIPERIDINE 6-CARBOXYLATE (P6C / P2C)_13C2 0 1196.528915 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1605.125622 0 0 0 1275.146075 0 0 0 0 0 0 38971.48259 35195.98684 43853.65376 43782.04242 37609.62069 40233.14946 0 0 0 0 0 0 0 0 0 0 0 0 PIPERIDINE 6-CARBOXYLATE (P6C / P2C)_13C3 104020.8107 127564.0685 125634.3072 0 44025.8501 53581.48503 74845.86697 112336.447 60578.37942 18587.96844 0 0 19297.1541 8613.469377 6970.713515 0 71137.15312 44327.4842 49387.45212 93551.09023 0 6295.011913 7725.110551 21098.52074 133739.5102 214486.2795 206471.1122 0 0 0 214809.6691 181728.1036 285730.3742 199057.5641 177483.1299 296989.4131 223263.9975 42427.62047 0 255015.5048 180955.9923 0 0 149865.9289 80675.40523 142028.832 178720.8821 178866.8866 41235.58126 13051.12948 50392.51932 0 40444.10867 29918.78719 0 33296.49027 43610.75187 9307.095983 34567.28226 33688.63769 PIPERIDINE 6-CARBOXYLATE (P6C / P2C)_13C4 325083.7167 0 469032.0687 0 1224.801495 0 10183.41162 266169.9619 366430.5751 440655.1372 1025971.454 218004.2129 44745.79271 82955.48688 124645.8454 202638.6504 150891.7952 132765.8784 127629.3411 250157.6746 167596.9766 93322.88081 86772.48882 167840.213 168239.021 2293.837168 87064.85994 0 0 19964.08412 43251.54684 49454.16729 117035.182 132579.8334 16187.72407 7961.695329 91742.35309 0 0 76040.20714 50644.83992 0 3436.211047 126412.4296 46828.19428 0 66608.20522 86864.67639 0 402145.8889 184785.9287 0 411581.9902 0 28725.36518 193557.3562 264875.4281 79803.85275 86930.47551 89379.38465 PIPERIDINE 6-CARBOXYLATE (P6C / P2C)_13C5 41450.63318 47769.37479 43217.2932 0 1243.130892 0 1588.618472 3238.468739 0 0 0 0 0 0 0 0 817.236951 0 2072.49569 480.2233586 0 0 0 0 175588.1731 116694.8874 230323.3865 0 0 0 0 0 0 0 0 3597.31227 3484169.236 4110920.618 3352466.101 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PIPERIDINE 6-CARBOXYLATE (P6C / P2C)_13C6 4548086.727 4367681.925 3598111.593 0 0 0 0 0 0 90469.75162 0 0 2345850.049 2282690.262 2316864.054 2388186.403 2283949.492 2287260.126 2174291.377 2219364.451 2176054.649 2474769.092 2340825.274 2143508.26 6136205.794 7719460.193 5105240.872 0 0 0 1498.881595 0 0 0 0 0 81408505.59 88848412.43 75205790.66 0 0 0 0 0 0 0 0 0 0 0 0 2602.705726 0 0 0 0 0 0 0 0 PIPERIDINE 6-CARBOXYLATE (P6C / P2C)_15N1 27291.14132 0 0 4129856.562 5123042.467 4063965.898 51993.17297 76045.66323 9800.319409 26331.9185 0 66919.89894 46748.73189 2662.862538 29888.59779 22671.57725 30532.12391 18761.11446 16960.40371 10396.72368 11362.85036 2655.751909 7252.755976 0 4075.27737 13545.28462 29913.06479 7611811.566 6933856.052 5245346.389 56359.24837 27930.9477 23956.88219 15863.59277 12905.93885 11393.91498 18229.75262 22262.99385 0 75880402.24 82494564.99 59985615.59 222670.0557 279818.0265 119808.057 135071.6237 151925.7814 168741.1467 2363789.995 2524783.37 2450309.125 33816.31532 67666.1154 0 0 29363.18297 41778.56341 0 69772.08518 0 PIPERIDINE 6-CARBOXYLATE (P6C / P2C)_M0 1179964.386 1094392.519 1251717.651 1111836.884 660415.5244 1086942.708 6043701.909 5931924.106 6046841.052 4689979.892 4182341.067 4394732.304 262656.9631 146580.2873 248042.6929 160926.5811 97078.14699 192641.0945 346779.5016 447139.5765 183113.9364 151790.7058 212917.8011 196807.0653 700974.4874 881266.7632 357657.4826 608509.8939 1123292.557 668029.3155 11061928.74 7873770.546 10123814.14 10119876.54 9108356.232 8215437.724 6039118.222 5805785.613 5422523.623 5966087.816 6821716.627 4836434.904 112666801.4 114169841.7 82975991.03 95351734.53 94950612.78 90199476.4 1084308.317 727892.0832 488743.4518 2987785.943 3204598.619 3546666.454 0 202316.2986 392685.2015 409893.2898 695542.8765 391195.855 SACCHAROPINE_13C1 1248568.718 1093769.082 1207558.326 0 0 0 2116730.604 1908377.256 2140453.737 6663332.359 6748057.946 7209307.02 9164.084817 22356.707 0 0 0 13617.45722 54317.30806 24869.86938 17324.34608 265789.9151 278176.7271 298219.7514 319966.7921 329258.2409 335848.8076 6421.028405 0 0 452670.9224 251653.624 225933.9248 3501174.868 3274470.68 3344846.164 480601.0312 506285.9543 419995.3924 0 4338.975473 0 1134600.582 1098047.918 983686.1171 3692359.83 3603738.416 3713896.557 0 0 18087.48931 207207836.4 203804254.8 215260184.9 0 22827.45649 0 36309793.4 36757789.84 38350304.66 SACCHAROPINE_13C10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2579.759214 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7316.526994 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 SACCHAROPINE_13C11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 SACCHAROPINE_13C2 0 0 0 0 0 0 23160.19019 0 0 180885.0594 241796.2286 116031.6049 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9918.041398 0 11218.18671 8659.496286 15917.27662 0 8988.16929 60418.8641 0 0 0 12948.74365 36758.17307 8309.002944 28156.22158 31382.71393 0 9940.95323 0 52451.92774 0 0 0 26481.03178 7011802.99 15640600.06 0 0 26043.62937 505145.2336 75430.65312 146869.7163 SACCHAROPINE_13C3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5242.470031 0 0 0 0 0 0 7009.964701 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 39296.30438 0 84138.61423 0 0 0 0 39268.95883 9420.877853 SACCHAROPINE_13C4 0 10438.43276 12974.31126 0 0 0 0 0 0 0 0 0 0 0 0 2382.375027 0 0 0 0 0 0 0 0 0 8631.225395 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 SACCHAROPINE_13C5 2840060.891 2600625.911 3051340.491 0 0 0 0 0 0 0 0 0 60641.85147 72118.86584 51238.61102 0 0 0 0 4944.293988 0 0 0 0 888349.031 911045.0324 855780.4266 0 0 4637.580949 0 0 4577.468248 0 0 0 1165001.702 1138033.183 1056132.314 0 0 0 0 0 2904.296994 0 0 0 446345.5486 599313.0053 83663.78836 191386.7123 371302.2203 406529.8875 272889.0656 937828.2887 420836.3602 430716.9416 547906.1148 365530.6149 SACCHAROPINE_13C6 68113291.72 65104095.69 74538019.82 0 0 0 0 0 0 0 0 0 1980851.048 1918393.836 1745733.243 5025.545278 2869.138853 5701.527926 0 23992.91617 32856.07959 4403.448449 4957.593973 14268.62193 21020699.74 23536484.95 20496222.46 0 0 0 0 0 0 0 0 0 27168640.3 26671243.12 25142874.49 0 0 0 0 0 0 0 0 0 0 15438.79493 0 0 0 0 0 12793.32678 0 0 0 0 SACCHAROPINE_13C7 3695966.809 3462690.026 3959511.767 0 0 0 0 0 0 0 0 0 72137.50065 98442.49189 80315.33323 2959.947804 0 0 3735.352534 0 0 0 0 5431.022325 1189555.394 1302565.071 1191238.813 6459.396988 0 0 0 0 0 2410.238884 0 0 1417652.415 1401344.442 1327986.223 0 0 0 2680.073632 0 0 0 0 0 0 0 0 0 10152.93737 0 0 0 15703.03628 0 0 0 SACCHAROPINE_13C8 32625.91442 240034.0894 113712.6047 0 0 12371.18559 0 0 0 0 0 0 6675.990707 9696.232176 0 0 0 0 1998.823897 0 0 0 0 0 170304.9175 168257.0404 41867.3111 7952.342427 5475.523291 8759.477226 9198.437852 7224.740719 5974.657171 0 0 0 39028.43399 19614.99593 29337.00792 0 4987.827382 0 0 7227.911583 6760.141481 0 0 0 0 20879.30841 0 0 0 0 0 0 0 0 0 0 SACCHAROPINE_13C9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 SACCHAROPINE_15N1 0 0 9244.321218 77532055.43 74174577.91 75321171.37 57619323.32 56844569.38 62599329.87 279588.5236 151866.0431 315995.4945 3056.766345 0 0 4810059.581 4815333.352 4958647.427 4237460.249 4155624.082 4561039.56 6403.354006 6531.3473 0 0 0 0 25327630.62 25201550.17 21860259.08 23779152.22 20994477.06 21978017.18 149297.2877 102462.1036 159218.7104 26540.87754 7751.841493 0 26461348.91 24213691.44 22235232.42 23806882.77 24240419.47 20593969.2 123444.2305 164221.8142 149783.6129 1444096829 1475385859 1564547741 9571269.062 9962493.116 10487679.19 269279098.2 257515550.2 279003794.4 2022676.949 2022378.993 2008171.369 SACCHAROPINE_15N2 0 0 12958.67859 75971.63384 168332.5813 99199.34334 134961.4982 154773.2743 38567.88965 0 0 0 0 0 0 0 0 0 6224.614562 0 0 0 0 0 0 0 0 63498.32416 98268.55558 128361.28 83818.62357 47212.20597 9383.218793 0 0 0 0 0 0 80697.32227 40365.49209 52559.03804 88473.25869 27181.68933 35545.59376 0 0 0 249062.8026 511517.4958 384799.2759 35411.71496 0 0 738786.4945 507889.8905 296760.6918 0 8966.12093 0 SACCHAROPINE_M0 10298570.6 9562173.581 10730383.45 9870540.661 9885603.452 9930983.272 23613711.69 23120284.09 25339119.22 55446159.76 56898670.08 61668101.81 249199.2085 252615.9305 236823.8843 596684.1398 657475.445 676660.9392 1228382.577 1139256.532 1332143.292 2463826.077 2513653.041 2681125.039 2898990.556 3163455.547 2821488.769 3604055.664 3692914.591 3102419.721 7769816.951 6678615.739 7124324.302 29811082.9 27537706.24 28352056.02 4367122.533 4368192.29 3872953.075 4463477.363 4302098.694 3774813.46 12696726.46 12929430.47 11046556.37 31447905.83 30631673.22 32364101.79 266237810.4 271380087.2 281985906.9 1727598519 1699016928 1790019118 39166934.28 37416257.09 41913978.84 306607975.5 305048223.6 323721167.1 SUCCINATE_13C1 2235909.678 2020950.274 1869015.199 1962155.546 2033694.762 2072257.339 1762256.74 2015819.443 1850063.869 1942138.712 1866306.044 1883333.135 294639.5208 349088.6637 264440.9676 326898.6018 350720.6106 411337.0435 403120.3934 355695.9973 365661.8759 309682.366 282284.2396 1267814.591 181560.3858 231594.6433 192700.6236 194161.0322 215283.9229 196433.2878 106284.0433 218875.9914 167477.0771 150176.6413 237516.8676 188704.9331 226621.0021 221769.1757 180694.6671 222264.6022 170175.225 138962.531 265844.6639 245105.2857 166714.1244 160688.5403 217765.2392 191107.8632 2400350.454 2565921.533 2720649.411 2639714.824 2552108.761 2357514.229 2725263.818 2481097.503 2818392.917 2758588.761 2776176.736 2641784.652 SUCCINATE_13C2 116343.262 121359.3361 77914.61103 0 7357.786693 5984.245759 8252.288455 0 4167.298982 0 8787.250883 0 0 0 1546.193521 0 0 0 0 0 0 0 0 0 11147.25939 0 9411.653801 0 0 7705.349579 0 0 0 0 1237.94978 1465.024637 0 0 0 0 0 946.2853445 0 0 0 0 0 0 0 0 26850.78064 0 0 10935.14436 19923.0528 0 0 13411.12985 36670.24872 0 SUCCINATE_13C3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1545.511951 0 0 0 0 0 0 0 0 0 0 0 1576.424678 0 0 1164.123298 0 0 0 0 0 0 0 0 1403.039199 0 0 0 0 0 0 0 0 0 0 6628.289679 0 0 0 11766.07029 0 0 0 0 0 0 SUCCINATE_13C4 0 0 0 0 0 26083.2029 0 5554.20378 31435.94731 0 8100.892639 5162.569594 97255.81144 138403.4046 105495.5903 36007.86864 43700.72063 56653.13088 81802.56942 42288.65936 28317.24188 120385.7015 99888.61459 72595.31007 2112.273184 0 0 0 0 0 0 0 3096.511049 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14933.27639 14181.94823 14467.87489 0 25058.76409 15415.99258 22443.7515 117838.6111 60879.01658 89595.93265 SUCCINATE_M0 47626413.14 40987974.03 39436274.3 45185557.93 45787249.7 41938777.38 37265341.68 41885306.48 42012537.79 44582784.23 42370356.73 40615525.56 5100111.842 5881822.58 5419815.361 6989647.054 6392536.118 7139205.676 7583676.458 6932512.213 7334116.916 5465509.276 5841911.291 27059316.79 2954535.313 4363565.243 4245475.894 3243116.117 4141264.423 2953419.673 2673061.797 3102050.344 3098205.528 2894706.559 3816760.908 3353198.392 4161957.941 4585366.683 3324549.917 3790313.024 4117466.018 3021689.116 4711736.579 5172969.945 4026996.738 4339244.013 4094251.1 4414027.575 58917025.12 61870122.51 65882936.34 61127161.89 62930431.62 60906903.8 66383425.32 59621825.82 60884023.72 68604497.11 64121916.13 62735640.97 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Category Chemical Formula Mass (m/z) Polarity RT O-ACETYLCARNITINE_13C1 HMDB0000201 [13]C1C8H17NO4 205.13 Positive 7.71 O-ACETYLCARNITINE_13C2 HMDB0000201 [13]C2C7H17NO4 206.13 Positive 7.71 O-ACETYLCARNITINE_13C3 HMDB0000201 [13]C3C6H17NO4 207.13 Positive 7.71 O-ACETYLCARNITINE_13C5 HMDB0000201 [13]C5C4H17NO4 209.14 Positive 7.71 O-ACETYLCARNITINE_13C6 HMDB0000201 [13]C6C3H17NO4 210.14 Positive 7.71 O-ACETYLCARNITINE_M0 HMDB0000201 C9H17NO4 204.12 Positive 7.71 PIPERIDINE 6-CARBOXYLATE (P6C / P2C)_13C1 HMDB0012130 / HMDB0001084 [13]C1C5H9O2N 129.07 Positive 8.43 PIPERIDINE 6-CARBOXYLATE (P6C / P2C)_13C3 HMDB0012130 / HMDB0001084 [13]C3C3H9O2N 131.08 Positive 8.43 PIPERIDINE 6-CARBOXYLATE (P6C / P2C)_13C4 HMDB0012130 / HMDB0001084 [13]C4C2H9O2N 132.08 Positive 8.43 PIPERIDINE 6-CARBOXYLATE (P6C / P2C)_15N1 HMDB0012130 / HMDB0001084 C6H9O2[15]N 129.07 Positive 8.43 PIPERIDINE 6-CARBOXYLATE (P6C / P2C)_M0 HMDB0012130 / HMDB0001084 C6H9O2N 128.07 Positive 8.43 PIPECOLATE_M0 HMDB0000716 C6H11NO2 128.07 Negative 9.32 N-EPSILON-ACETYLLYSINE_13C1 HMDB0000206 [13]C1C7H16N2O3 190.13 Positive 10.26 N-EPSILON-ACETYLLYSINE_15N1 HMDB0000206 C8H16[15]N1N1O3 190.12 Positive 10.26 N-EPSILON-ACETYLLYSINE_15N2 HMDB0000206 C8H16[15]N2O3 191.12 Positive 10.26 N-EPSILON-ACETYLLYSINE_M0 HMDB0000206 C8H16N2O3 189.12 Positive 10.26 L-CARNITINE_13C1 HMDB0000062 [13]C1C6H15NO3 163.12 Positive 10.64 L-CARNITINE_13C2 HMDB0000062 [13]C2C5H15NO3 164.12 Positive 10.64 L-CARNITINE_13C4 HMDB0000062 [13]C4C3H15NO3 166.13 Positive 10.64 L-CARNITINE_13C5 HMDB0000062 [13]C5C2H15NO3 167.13 Positive 10.64 L-CARNITINE_15N HMDB0000062 C7H15[15]NO3 163.11 Positive 10.64 L-CARNITINE_M0 HMDB0000062 C7H15NO3 162.11 Positive 10.64 GLUTAMATE_13C1 HMDB0000148 [13]C1C4H9NO4 149.06 Positive 12.43 GLUTAMATE_13C2 HMDB0000148 [13]C2C3H9NO4 150.07 Positive 12.43 GLUTAMATE_M0 HMDB0000148 C5H9NO4 148.06 Positive 12.43 AMINOADIPATE_13C3 HMDB0000510 [13]C3C3H11NO4 165.09 Positive 12.8 AMINOADIPATE_13C4 HMDB0000510 [13]C4C2H11NO4 166.09 Positive 12.8 AMINOADIPATE_13C6 HMDB0000510 [13]C6H11NO4 168.1 Positive 12.8 AMINOADIPATE_M0 HMDB0000510 C6H11NO4 162.08 Positive 12.8 SUCCINATE_13C1 HMDB0000254 [13]C1C3H6O4 118.02 Negative 13.26 SUCCINATE_M0 HMDB0000254 C4H6O4 117.02 Negative 13.26 SACCHAROPINE_13C5 HMDB0000279 [13]C5C6H20N2O6 282.16 Positive 13.74 SACCHAROPINE_13C7 HMDB0000279 [13]C7C4H20N2O6 284.16 Positive 13.74 SACCHAROPINE_M0 HMDB0000279 C11H20N2O6 277.14 Positive 13.74 FUMARATE_M0 HMDB0000134 C4H4O4 115 Negative 13.97 MALATE_M0 HMDB0031518 C4H6O5 133.01 Negative 14.32 CITRATE_M0 HMDB0000094 / HMDB0000193 C6H8O7 191.02 Negative 16.84 N,N,N-TRIMETHYLLYSINE_M0 HMDB0001325 C9H20N2O2 189.16 Positive 23.5 LYSINE_M0 HMDB0000182 C6H14N2O2 147.11 Positive 26.05 LYSINE_M1_13C1 HMDB0000182 [13]C1C5H14N2O2 148.12 Positive 26.05 LYSINE_M1_13C5 HMDB0000182 [13]C5C1H14N2O2 152.13 Positive 26.05 LYSINE_M1_15N2 HMDB0000182 C6H14[15]N2O2 149.11 Positive 26.05 O-ACETYLCARNITINE_13C4 HMDB0000201 [13]C4C5H17NO4 208.14 Positive 7.71 O-ACETYLCARNITINE_13C7 HMDB0000201 [13]C7C2H17NO4 211.15 Positive 7.71 O-ACETYLCARNITINE_13C8 HMDB0000201 [13]C8C1H17NO4 212.15 Positive 7.71 O-ACETYLCARNITINE_13C9 HMDB0000201 [13]C9H17NO4 213.15 Positive 7.71 PIPERIDINE 6-CARBOXYLATE (P6C / P2C)_13C2 HMDB0012130 / HMDB0001084 [13]C2C4H9O2N 130.08 Positive 8.43 PIPERIDINE 6-CARBOXYLATE (P6C / P2C)_13C5 HMDB0012130 / HMDB0001084 [13]C5C1H9O2N 133.09 Positive 8.43 PIPERIDINE 6-CARBOXYLATE (P6C / P2C)_13C6 HMDB0012130 / HMDB0001084 [13]C6H9O2N 134.09 Positive 8.43 PIPECOLATE_13C1 HMDB0000716 [13]C1C5H11NO2 129.08 Negative 9.32 PIPECOLATE_13C2 HMDB0000716 [13]C2C4H11NO2 130.08 Negative 9.32 PIPECOLATE_13C3 HMDB0000716 [13]C3C3H11NO2 131.08 Negative 9.32 PIPECOLATE_13C4 HMDB0000716 [13]C4C2H11NO2 132.09 Negative 9.32 PIPECOLATE_13C5 HMDB0000716 [13]C5C1H11NO2 133.09 Negative 9.32 PIPECOLATE_13C6 HMDB0000716 [13]C6H11NO2 134.09 Negative 9.32 PIPECOLATE_15N1 HMDB0000716 C6H11[15]NO2 129.07 Negative 9.32 N-EPSILON-ACETYLLYSINE_13C2 HMDB0000206 [13]C2C6H16N2O3 191.13 Positive 10.26 N-EPSILON-ACETYLLYSINE_13C3 HMDB0000206 [13]C3C5H16N2O3 192.13 Positive 10.26 N-EPSILON-ACETYLLYSINE_13C4 HMDB0000206 [13]C4C4H16N2O3 193.14 Positive 10.26 N-EPSILON-ACETYLLYSINE_13C5 HMDB0000206 [13]C5C3H16N2O3 194.14 Positive 10.26 N-EPSILON-ACETYLLYSINE_13C6 HMDB0000206 [13]C6C2H16N2O3 195.14 Positive 10.26 N-EPSILON-ACETYLLYSINE_13C7 HMDB0000206 [13]C7C1H16N2O3 196.15 Positive 10.26 N-EPSILON-ACETYLLYSINE_13C8 HMDB0000206 [13]C8H16N2O3 197.15 Positive 10.26 L-CARNITINE_13C3 HMDB0000062 [13]C3C4H15NO3 165.12 Positive 10.64 L-CARNITINE_13C6 HMDB0000062 [13]C6C1H15NO3 168.13 Positive 10.64 L-CARNITINE_13C7 HMDB0000062 [13]C7H15NO3 169.14 Positive 10.64 GLUTAMATE_13C3 HMDB0000148 [13]C3C2H9NO4 151.07 Positive 12.43 GLUTAMATE_13C4 HMDB0000148 [13]C4C1H9NO4 152.07 Positive 12.43 GLUTAMATE_13C5 HMDB0000148 [13]C5H9NO4 153.08 Positive 12.43 GLUTAMATE_15N1 HMDB0000148 C5H9[15]NO4 149.06 Positive 12.43 2-OXOADIPIC ACID_13C1 HMDB0000225 [13]C1C5H8O5 160.03 Negative 12.51 2-OXOADIPIC ACID_13C2 HMDB0000225 [13]C2C4H8O5 161.04 Negative 12.51 2-OXOADIPIC ACID_13C3 HMDB0000225 [13]C3C3H8O5 162.04 Negative 12.51 2-OXOADIPIC ACID_13C4 HMDB0000225 [13]C4C2H8O5 163.04 Negative 12.51 2-OXOADIPIC ACID_13C5 HMDB0000225 [13]C5C1H8O5 164.05 Negative 12.51 2-OXOADIPIC ACID_13C6 HMDB0000225 [13]C6H8O5 165.05 Negative 12.51 2-OXOADIPIC ACID_M0 HMDB0000225 C6H8O5 159.03 Negative 12.51 AMINOADIPATE_13C1 HMDB0000510 [13]C1C5H11NO4 163.08 Positive 12.8 AMINOADIPATE_13C2 HMDB0000510 [13]C2C4H11NO4 164.08 Positive 12.8 AMINOADIPATE_13C5 HMDB0000510 [13]C5C1H11NO4 167.09 Positive 12.8 AMINOADIPATE_15N1 HMDB0000510 C6H11[15]NO4 163.07 Positive 12.8 SUCCINATE_13C2 HMDB0000254 [13]C2C2H6O4 119.03 Negative 13.26 SUCCINATE_13C3 HMDB0000254 [13]C3C1H6O4 120.03 Negative 13.26 SUCCINATE_13C4 HMDB0000254 [13]C4H6O4 121.03 Negative 13.26 ALPHA-KETOGLUTARIC ACID_13C1 HMDB0000208 [13]C1C4H6O5 146.02 Negative 13.6 ALPHA-KETOGLUTARIC ACID_13C2 HMDB0000208 [13]C2C3H6O5 147.02 Negative 13.6 ALPHA-KETOGLUTARIC ACID_13C3 HMDB0000208 [13]C3C2H6O5 148.02 Negative 13.6 ALPHA-KETOGLUTARIC ACID_13C4 HMDB0000208 [13]C4C1H6O5 149.03 Negative 13.6 ALPHA-KETOGLUTARIC ACID_13C5 HMDB0000208 [13]C5H6O5 150.03 Negative 13.6 ALPHA-KETOGLUTARIC ACID_M0 HMDB0000208 C5H6O5 145.01 Negative 13.6 SACCHAROPINE_13C1 HMDB0000279 [13]C1C10H20N2O6 278.14 Positive 13.74 SACCHAROPINE_13C10 HMDB0000279 [13]C10C1H20N2O6 287.17 Positive 13.74 SACCHAROPINE_13C11 HMDB0000279 [13]C11H20N2O6 288.18 Positive 13.74 SACCHAROPINE_13C2 HMDB0000279 [13]C2C9H20N2O6 279.15 Positive 13.74 SACCHAROPINE_13C3 HMDB0000279 [13]C3C8H20N2O6 280.15 Positive 13.74 SACCHAROPINE_13C4 HMDB0000279 [13]C4C7H20N2O6 281.15 Positive 13.74 SACCHAROPINE_13C6 HMDB0000279 [13]C6C5H20N2O6 283.16 Positive 13.74 SACCHAROPINE_13C8 HMDB0000279 [13]C8C3H20N2O6 285.17 Positive 13.74 SACCHAROPINE_13C9 HMDB0000279 [13]C9C2H20N2O6 286.17 Positive 13.74 SACCHAROPINE_15N1 HMDB0000279 C11H20[15]N1N1O6 278.14 Positive 13.74 SACCHAROPINE_15N2 HMDB0000279 C11H20[15]N2O6 279.13 Positive 13.74 FUMARATE_13C1 HMDB0000134 [13]C1C3H4O4 116.01 Negative 13.97 FUMARATE_13C2 HMDB0000134 [13]C2C2H4O4 117.01 Negative 13.97 FUMARATE_13C3 HMDB0000134 [13]C3C1H4O4 118.01 Negative 13.97 FUMARATE_13C4 HMDB0000134 [13]C4H4O4 119.02 Negative 13.97 MALATE_13C1 HMDB0031518 [13]C1C3H6O5 134.02 Negative 14.32 MALATE_13C2 HMDB0031518 [13]C2C2H6O5 135.02 Negative 14.32 MALATE_13C3 HMDB0031518 [13]C3C1H6O5 136.02 Negative 14.32 MALATE_13C4 HMDB0031518 [13]C4H6O5 137.03 Negative 14.32 CITRATE_13C1 HMDB0000094 / HMDB0000193 [13]C1C5H8O7 192.02 Negative 16.84 CITRATE_13C2 HMDB0000094 / HMDB0000193 [13]C2C4H8O7 193.03 Negative 16.84 CITRATE_13C3 HMDB0000094 / HMDB0000193 [13]C3C3H8O7 194.03 Negative 16.84 CITRATE_13C4 HMDB0000094 / HMDB0000193 [13]C4C2H8O7 195.03 Negative 16.84 CITRATE_13C5 HMDB0000094 / HMDB0000193 [13]C5C1H8O7 196.04 Negative 16.84 CITRATE_13C6 HMDB0000094 / HMDB0000193 [13]C6H8O7 197.04 Negative 16.84 N,N,N-TRIMETHYLLYSINE_13C1 HMDB0001325 [13]C1C8H20N2O2 190.16 Positive 23.5 N,N,N-TRIMETHYLLYSINE_13C2 HMDB0001325 [13]C2C7H20N2O2 191.17 Positive 23.5 N,N,N-TRIMETHYLLYSINE_13C3 HMDB0001325 [13]C3C6H20N2O2 192.17 Positive 23.5 N,N,N-TRIMETHYLLYSINE_13C4 HMDB0001325 [13]C4C5H20N2O2 193.17 Positive 23.5 N,N,N-TRIMETHYLLYSINE_13C5 HMDB0001325 [13]C5C4H20N2O2 194.18 Positive 23.5 N,N,N-TRIMETHYLLYSINE_13C6 HMDB0001325 [13]C6C3H20N2O2 195.18 Positive 23.5 N,N,N-TRIMETHYLLYSINE_13C7 HMDB0001325 [13]C7C2H20N2O2 196.18 Positive 23.5 N,N,N-TRIMETHYLLYSINE_13C8 HMDB0001325 [13]C8C1H20N2O2 197.19 Positive 23.5 N,N,N-TRIMETHYLLYSINE_13C9 HMDB0001325 [13]C9H20N2O2 198.19 Positive 23.5 N,N,N-TRIMETHYLLYSINE_15N1 HMDB0001325 C9H20[15]N1N1O2 190.16 Positive 23.5 N,N,N-TRIMETHYLLYSINE_15N2 HMDB0001325 C9H20[15]N2O2 191.15 Positive 23.5 LYSINE_M1_13C2 HMDB0000182 [13]C2C4H14N2O2 149.12 Positive 26.05 LYSINE_M1_13C3 HMDB0000182 [13]C3C3H14N2O2 150.12 Positive 26.05 LYSINE_M1_13C4 HMDB0000182 [13]C4C2H14N2O2 151.13 Positive 26.05 LYSINE_M1_13C6 HMDB0000182 [13]C6H14N2O2 153.13 Positive 26.05 LYSINE_M1_15N1 HMDB0000182 C6H14[15]N1N1O2 148.11 Positive 26.05 METABOLITES_END #END