#METABOLOMICS WORKBENCH araskind_20150604_9964561_mwtab.txt DATATRACK_ID:268 STUDY_ID:ST000172 ANALYSIS_ID:AN000266 PROJECT_ID:PR000149 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Citrate Flux Studies PR:PROJECT_SUMMARY Citrate Flux analysis PR:INSTITUTE University of Michigan PR:DEPARTMENT Pediatric Nephrology PR:LABORATORY Blatt Lab PR:LAST_NAME Blatt PR:FIRST_NAME Neal PR:ADDRESS Ann Arbor, MI PR:EMAIL nblatt@umich.edu PR:PHONE 734/936-4210 #STUDY ST:STUDY_TITLE THP1 Human Monocyte cells Project A (part I) ST:STUDY_SUMMARY THP-1 Human Monocyte cells (10^6) were seeded in RPMI 1640 with 0.5% FBS. The ST:STUDY_SUMMARY were incubated for 30 minutes in either no citrate, 1 mM citrate, or 6 mM ST:STUDY_SUMMARY Separately, cells were either incubated in 1 mM 13C6 citrate or 6mM 13C6 ST:STUDY_SUMMARY (Sigma-Aldrich #606081). After the 30 minute pre-incubation time, the cells ST:STUDY_SUMMARY harvested or stimulated with lipopolysaccharide (LPS) for 1 h or 30 min. Cells ST:STUDY_SUMMARY subsequently spun down and washed in 150mM ammonium acetate. Cell were respun ST:STUDY_SUMMARY the supernatant was discarded. Cells were flash frozen in liquid nitrogen and ST:STUDY_SUMMARY on dry ice. ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@umich.edu ST:PHONE - ST:NUM_GROUPS 15 ST:TOTAL_SUBJECTS 59 #SUBJECT SU:SUBJECT_TYPE - SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0003088 S00013571 13C6 Citrate (mM):1 | LPS (Time):0 | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013572 13C6 Citrate (mM):1 | LPS (Time):0 | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013573 13C6 Citrate (mM):1 | LPS (Time):0 | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013574 13C6 Citrate (mM):1 | LPS (Time):0 | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013587 13C6 Citrate (mM):1 | LPS (Time):1 h | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013588 13C6 Citrate (mM):1 | LPS (Time):1 h | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013589 13C6 Citrate (mM):1 | LPS (Time):1 h | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013590 13C6 Citrate (mM):1 | LPS (Time):1 h | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013579 13C6 Citrate (mM):1 | LPS (Time):30 min | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013580 13C6 Citrate (mM):1 | LPS (Time):30 min | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013581 13C6 Citrate (mM):1 | LPS (Time):30 min | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013582 13C6 Citrate (mM):1 | LPS (Time):30 min | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013567 13C6 Citrate (mM):6 | LPS (Time):0 | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013568 13C6 Citrate (mM):6 | LPS (Time):0 | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013569 13C6 Citrate (mM):6 | LPS (Time):0 | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013570 13C6 Citrate (mM):6 | LPS (Time):0 | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013583 13C6 Citrate (mM):6 | LPS (Time):1 h | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013584 13C6 Citrate (mM):6 | LPS (Time):1 h | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013585 13C6 Citrate (mM):6 | LPS (Time):1 h | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013586 13C6 Citrate (mM):6 | LPS (Time):1 h | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013575 13C6 Citrate (mM):6 | LPS (Time):30 min | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013576 13C6 Citrate (mM):6 | LPS (Time):30 min | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013577 13C6 Citrate (mM):6 | LPS (Time):30 min | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013578 13C6 Citrate (mM):6 | LPS (Time):30 min | Citrate (mM):none SUBJECT_SAMPLE_FACTORS SU0003088 S00013540 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):0 SUBJECT_SAMPLE_FACTORS SU0003088 S00013541 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):0 SUBJECT_SAMPLE_FACTORS SU0003088 S00013542 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):0 SUBJECT_SAMPLE_FACTORS SU0003088 S00013543 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):0 SUBJECT_SAMPLE_FACTORS SU0003088 S00013536 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):1 SUBJECT_SAMPLE_FACTORS SU0003088 S00013537 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):1 SUBJECT_SAMPLE_FACTORS SU0003088 S00013538 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):1 SUBJECT_SAMPLE_FACTORS SU0003088 S00013539 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):1 SUBJECT_SAMPLE_FACTORS SU0003088 S00013532 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):6 SUBJECT_SAMPLE_FACTORS SU0003088 S00013533 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):6 SUBJECT_SAMPLE_FACTORS SU0003088 S00013534 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):6 SUBJECT_SAMPLE_FACTORS SU0003088 S00013535 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):6 SUBJECT_SAMPLE_FACTORS SU0003088 S00013563 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):0 SUBJECT_SAMPLE_FACTORS SU0003088 S00013564 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):0 SUBJECT_SAMPLE_FACTORS SU0003088 S00013565 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):0 SUBJECT_SAMPLE_FACTORS SU0003088 S00013566 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):0 SUBJECT_SAMPLE_FACTORS SU0003088 S00013560 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):1 SUBJECT_SAMPLE_FACTORS SU0003088 S00013561 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):1 SUBJECT_SAMPLE_FACTORS SU0003088 S00013562 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):1 SUBJECT_SAMPLE_FACTORS SU0003088 S00013556 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):6 SUBJECT_SAMPLE_FACTORS SU0003088 S00013557 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):6 SUBJECT_SAMPLE_FACTORS SU0003088 S00013558 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):6 SUBJECT_SAMPLE_FACTORS SU0003088 S00013559 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):6 SUBJECT_SAMPLE_FACTORS SU0003088 S00013552 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):0 SUBJECT_SAMPLE_FACTORS SU0003088 S00013553 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):0 SUBJECT_SAMPLE_FACTORS SU0003088 S00013554 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):0 SUBJECT_SAMPLE_FACTORS SU0003088 S00013555 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):0 SUBJECT_SAMPLE_FACTORS SU0003088 S00013548 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):1 SUBJECT_SAMPLE_FACTORS SU0003088 S00013549 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):1 SUBJECT_SAMPLE_FACTORS SU0003088 S00013550 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):1 SUBJECT_SAMPLE_FACTORS SU0003088 S00013551 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):1 SUBJECT_SAMPLE_FACTORS SU0003088 S00013544 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):6 SUBJECT_SAMPLE_FACTORS SU0003088 S00013545 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):6 SUBJECT_SAMPLE_FACTORS SU0003088 S00013546 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):6 SUBJECT_SAMPLE_FACTORS SU0003088 S00013547 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):6 #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Monocytes #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Gly-TCA-nucleotides_analysis_protocol-2015-03-09.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent 1260 CH:COLUMN_NAME Phenomenex Luna NH2 (150 x 1mm, 3um) CH:METHODS_ID AQM020 CH:METHODS_FILENAME QTOF-002-HILIC-35min-1mm-No_Insert.m.zip #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ACQUISITION_PARAMETERS_FILE QTOF-002-HILIC-35min-1mm-No_Insert.m.zip AN:PROCESSING_PARAMETERS_FILE EX00268-flux-MassHunterQuant-GlyTCA-LCMS-DataAnalysis-Method.m.zip #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6520 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Area normalized to protein MS_METABOLITE_DATA_START Samples S00013571 S00013572 S00013573 S00013574 S00013587 S00013588 S00013589 S00013590 S00013579 S00013580 S00013581 S00013582 S00013567 S00013568 S00013569 S00013570 S00013583 S00013584 S00013585 S00013586 S00013575 S00013576 S00013577 S00013578 Factors 13C6 Citrate (mM):1 | LPS (Time):0 | Citrate (mM):none 13C6 Citrate (mM):1 | LPS (Time):0 | Citrate (mM):none 13C6 Citrate (mM):1 | LPS (Time):0 | Citrate (mM):none 13C6 Citrate (mM):1 | LPS (Time):0 | Citrate (mM):none 13C6 Citrate (mM):1 | LPS (Time):1 h | Citrate (mM):none 13C6 Citrate (mM):1 | LPS (Time):1 h | Citrate (mM):none 13C6 Citrate (mM):1 | LPS (Time):1 h | Citrate (mM):none 13C6 Citrate (mM):1 | LPS (Time):1 h | Citrate (mM):none 13C6 Citrate (mM):1 | LPS (Time):30 min | Citrate (mM):none 13C6 Citrate (mM):1 | LPS (Time):30 min | Citrate (mM):none 13C6 Citrate (mM):1 | LPS (Time):30 min | Citrate (mM):none 13C6 Citrate (mM):1 | LPS (Time):30 min | Citrate (mM):none 13C6 Citrate (mM):6 | LPS (Time):0 | Citrate (mM):none 13C6 Citrate (mM):6 | LPS (Time):0 | Citrate (mM):none 13C6 Citrate (mM):6 | LPS (Time):0 | Citrate (mM):none 13C6 Citrate (mM):6 | LPS (Time):0 | Citrate (mM):none 13C6 Citrate (mM):6 | LPS (Time):1 h | Citrate (mM):none 13C6 Citrate (mM):6 | LPS (Time):1 h | Citrate (mM):none 13C6 Citrate (mM):6 | LPS (Time):1 h | Citrate (mM):none 13C6 Citrate (mM):6 | LPS (Time):1 h | Citrate (mM):none 13C6 Citrate (mM):6 | LPS (Time):30 min | Citrate (mM):none 13C6 Citrate (mM):6 | LPS (Time):30 min | Citrate (mM):none 13C6 Citrate (mM):6 | LPS (Time):30 min | Citrate (mM):none 13C6 Citrate (mM):6 | LPS (Time):30 min | Citrate (mM):none 2 or 3-phosphoglycerate_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2 or 3-phosphoglycerate_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2 or 3-phosphoglycerate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 735.8476 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2 or 3-phosphoglycerate_2PG/3PG 563.8880 258.6974 656.0239 0.0000 7414.5624 319.1744 0.0000 0.0000 0.0000 718.9658 0.0000 772.1856 267.9624 0.0000 0.0000 988.0561 1890.4416 254.7294 0.0000 0.0000 0.0000 325.4294 0.0000 0.0000 3-Glycerophosphate 8947.5916 4578.4296 4664.0053 3594.3789 8048.6035 6348.5233 4563.8729 6579.0760 5156.1688 1179.2067 4504.5308 4521.7482 7094.8883 4361.9409 3895.9064 8271.6950 5576.4675 10882.3268 6975.3756 5855.5541 8597.7374 9836.6104 7049.4415 4324.4930 3-Glycerophosphate_13C_1 0.0000 76.0947 0.0000 118.6633 0.0000 0.0000 0.0000 0.0000 0.0000 46.6517 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 21.0931 0.0000 0.0000 0.0000 79.6391 0.0000 3-Glycerophosphate_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3-Glycerophosphate_13C_3 31.0207 0.0000 471.1614 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 298.8564 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3-phosphoglyceraldehyde 12566.3735 20314.7735 40537.6891 5664.1504 18219.9100 6499.1588 7326.1065 19512.5832 10271.9145 7720.7659 19657.0531 39816.6602 26486.0301 6529.3400 14429.4829 12692.7382 5663.4716 8283.9043 7844.1162 14152.3399 10479.2254 16424.1285 3787.8382 18894.8920 3-phosphoglyceraldehyde_13C_1 11511.4914 1405.2552 1572.9553 849.8374 5975.3981 0.0000 351.1246 897.2924 0.0000 2383.4405 8877.4695 10426.9608 15674.0043 1184.5510 2403.9213 12501.2669 8337.7551 0.0000 3086.8976 0.0000 4152.0727 0.0000 2836.1741 13828.7241 3-phosphoglyceraldehyde_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1440.9622 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3-phosphoglyceraldehyde_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6-Phosphogluconate 8634.3279 8041.4589 7643.4797 2842.2188 26609.0602 12870.4697 5111.8837 12284.2743 7474.4427 4208.6948 5722.0701 9122.3072 10742.9949 5597.9463 6436.1604 13735.6722 10163.7939 9278.0232 6300.7392 6810.5462 7499.8144 11535.0311 5857.8428 9710.8097 6-Phosphogluconate_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6-Phosphogluconate_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6-Phosphogluconate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 4.8085 11.5552 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6-Phosphogluconate_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3586.8728 4048.0079 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 738.4689 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6-Phosphogluconate_13C_5 0.0000 3710.1191 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1769.4357 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6-Phosphogluconate_13C_6 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Acetyl-CoA 15368.4685 16193.4996 26925.1418 7416.5757 31623.1218 23154.7766 5928.3710 8390.9925 23413.1170 5983.3127 9800.4634 17856.5189 23466.8327 6538.3552 10894.7187 19174.3400 15015.2060 15390.9955 8247.6990 17695.5275 17188.6168 18044.8165 12377.8061 23402.5452 Acetyl-CoA_13C_1 0.0000 11.9791 0.0000 0.0000 0.0000 0.0000 2.5716 866.2082 0.0000 0.0000 0.0000 0.0000 1494.1393 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 803.7440 0.0000 623.8826 0.0000 Acetyl-CoA_13C_2 1701.2515 2156.6505 823.5665 153.3622 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 285.7057 961.8995 13213.5035 5577.1294 3789.8999 12932.6063 4982.7382 4994.1284 3453.1719 3657.6865 4942.6623 7123.8024 6006.9724 3200.3788 Adenosine diphosphate_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 73.3431 0.0000 0.0000 0.0000 361.6671 3476.4763 0.0000 3883.3370 0.0000 1444.3335 2264.8607 6558.2373 0.0000 526.0657 2906.2128 Adenosine diphosphate_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1388.1757 0.0000 0.0000 0.0000 0.0000 835.3263 1105.3490 0.0000 0.0000 0.0000 0.0000 1696.3409 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Adenosine diphosphate_13C_3 235.4621 0.0000 619.8586 34.8532 0.0000 145.6954 938.8837 1567.3101 824.2348 393.8463 92.7876 837.5778 518.0497 684.5738 230.3212 1288.4283 575.3905 389.3697 114.8689 901.1276 470.6742 0.0000 757.0684 1214.1331 Adenosine diphosphate_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Adenosine diphosphate_13C_5 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 274.1672 0.0000 0.0000 547.0523 0.0000 0.0000 0.0000 Adenosine monophosphate_13C_1 0.0000 0.0000 0.0000 0.0000 5195.9068 0.0000 0.0000 0.0000 962.6798 0.0000 3179.6641 0.0000 0.0000 0.0000 1125.8092 0.0000 1129.1538 0.0000 4872.9702 0.0000 0.0000 1671.2122 2429.0532 1284.9074 Adenosine monophosphate_13C_2 0.0000 0.0000 0.0000 0.0000 585.9017 199.4592 998.3785 0.0000 0.0000 300.0299 0.0000 0.0000 1834.7540 262.1381 0.0000 0.0000 0.0000 75.4958 307.9610 380.3987 856.6265 0.0000 886.8012 0.0000 Adenosine monophosphate_13C_3 2489.8635 2090.8821 573.1055 587.5911 628.6366 2417.4421 635.9722 0.0000 1571.4088 242.8127 1212.6399 2032.8346 0.0000 1293.6840 1033.5562 3303.0055 1501.9418 2968.3234 629.1054 1130.1689 2201.2033 661.6412 545.1618 3101.3606 Adenosine monophosphate_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Adenosine monophosphate_13C_5 0.0000 0.0000 0.0000 517.0427 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Adenosine triphosphate_13C_1 166.5279 0.0000 0.0000 492.3981 0.0000 0.0000 0.0000 0.0000 606.6161 394.2879 0.0000 26.5364 0.0000 1068.3802 0.0000 4509.9413 429.7546 616.9222 2405.5332 0.0000 7327.5682 2330.8897 6265.1883 1301.1261 Adenosine triphosphate_13C_2 0.0000 0.0000 132.7761 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 327.6486 0.0000 248.4101 136.6949 0.0000 1488.7913 0.0000 0.0000 529.1651 0.0000 0.0000 0.0000 294.8066 525.8632 Adenosine triphosphate_13C_3 0.0000 0.0000 0.0000 522.9343 0.0000 228.7299 0.0000 0.0000 105.8453 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 15.5946 1374.3909 0.0000 0.0000 0.0000 0.0000 Adenosine triphosphate_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.2438 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Adenosine triphosphate_13C_5 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 ADP 1356535.8230 1592569.4330 2062151.5410 586691.2106 1864322.1510 1783821.4370 999721.2740 1554776.3180 1539747.8260 507701.0962 981787.0769 1452920.1250 2081712.8320 962750.6117 987272.1037 1910261.1430 1124097.7620 1758021.3700 1030187.9920 1369569.1470 1613142.9490 2060620.5070 1141483.7150 1635778.4500 AMP 1442495.1760 2377161.3140 2539289.0890 558623.6862 1508205.4110 1161877.7340 1681953.3230 3642743.7760 1414003.4150 563623.3196 1468019.1330 2523107.3560 2452473.3730 739451.1125 1119779.4710 1824652.9810 812297.0238 1235253.8780 906936.3027 1212386.8010 1481542.3780 1903341.4110 959462.1794 2392364.3080 Aspartate 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Aspartate_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Aspartate_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Aspartate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Aspartate_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 ATP 909468.5059 735783.4791 1047218.3910 392752.3422 1838938.6750 1643577.2650 0.0000 0.0000 1145607.7380 288470.6468 464734.0099 541593.5244 1280596.9010 852453.9658 653508.0044 1437393.1240 1032966.3950 1617918.5910 801798.7170 1051668.2860 1192651.9390 1654947.8330 1017341.5310 881280.2518 Citrate or Isocitrate 1688868.5570 1663188.2220 1988605.8810 664401.6326 2655547.7990 1897339.2110 1229118.8430 2384226.3220 1569324.4480 506270.6356 1155367.9270 1457069.5890 1241707.6440 562984.4967 717232.9355 1374922.9790 850283.5449 1284086.3530 796810.1471 1245801.5720 990908.8069 1295045.5450 956810.6287 1245888.9840 Citrate or Isocitrate_13C_1 3389.4975 1505.8964 7326.9281 2178.0680 7768.4245 0.0000 2577.0085 1262.2861 0.0000 52.3938 0.0000 8391.7987 1880.5791 1158.3976 104.8444 5780.1983 1912.6091 4407.9081 3793.0496 3057.4498 4122.4761 0.0000 743.7093 6777.2995 Citrate or Isocitrate_13C_2 22358.4344 24986.3807 13576.3583 8520.0673 17429.7234 13152.2743 17683.0003 35276.0370 16783.4222 7247.4850 23331.3304 27989.5770 54198.1710 25336.3308 32852.5909 60940.0724 19700.3130 31938.4416 24812.5956 33637.4326 37932.7466 51075.6928 38528.3281 29807.9060 Citrate or Isocitrate_13C_3 917.5328 432.7429 921.0382 395.7311 1285.8403 0.0000 1841.2191 4472.7316 562.4556 0.0000 1261.5173 2316.0174 3487.8539 1502.0076 1709.9357 2739.6494 1141.2891 3766.6732 1728.7238 1420.7833 1837.9539 3533.1850 0.0000 2372.7638 Citrate or Isocitrate_13C_4 20671.5898 21697.2682 8077.3377 2561.7944 0.0000 3755.9609 16269.0648 22027.0507 7015.8390 3388.6462 19857.3896 25099.7204 31320.0295 16469.9126 21463.9087 36971.0592 10413.5791 19891.2939 11266.8263 14053.9153 18571.5135 23210.1562 14799.9569 14141.2816 Citrate or Isocitrate_13C_5 54800.2462 56179.5698 61239.8876 25979.6877 56111.7135 57963.6208 78929.5704 87321.0320 40827.5141 13853.9331 44242.8213 50307.0702 380136.4228 212279.2281 147507.8063 232659.8584 144336.0489 247749.7854 237675.6391 125688.5447 235210.9367 336063.9861 221948.4724 160399.3895 Citrate or Isocitrate_13C_6 1748505.5250 1941808.4780 2374147.8380 822800.7339 1866568.8510 2130956.2860 3218642.1150 3223510.6170 1404888.3660 442021.5484 1424176.9100 1765003.5200 14333231.7600 7856104.0260 5485219.5620 8568713.4780 5604835.0860 9601634.8820 8528470.0480 4900572.3540 9275536.7350 13370880.7400 8091488.1700 6317231.2250 Erythrose 4-phosphate 18787.7871 25876.2297 22989.2632 6841.2822 23157.2270 24502.6530 12183.7260 20841.0399 19408.9074 6455.5921 15551.3967 17723.7489 23182.0893 13443.4811 12623.9684 27236.3613 15023.9074 21145.4738 11293.3027 13575.9436 15855.3811 27329.8123 14991.2620 24406.5383 Erythrose 4-phosphate_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Erythrose 4-phosphate_13C_2 0.0000 498.9932 1616.3065 753.3771 0.0000 1947.2713 0.0000 0.0000 1265.6365 513.1845 748.0527 708.7549 1652.8362 755.2821 0.0000 0.0000 0.0000 855.5232 772.5458 1142.0706 1261.9634 3143.8776 3002.5252 0.0000 Erythrose 4-phosphate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Erythrose 4-phosphate_13C_4 0.0000 565.6302 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 289.8970 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Fructose 1_6-bisphosphate 25031.0147 34783.3792 82116.1561 15238.2560 59152.2177 32811.1461 31037.9866 91284.2446 30028.0204 16381.1847 34006.4315 62285.3227 91295.8103 16833.2500 27610.4649 37644.6174 23911.9802 27452.9877 28090.1853 45702.1293 25024.2600 45597.4765 27709.7338 112628.2264 Fructose 1_6-bisphosphate_13C_1 0.0000 242.6845 681.4905 0.0000 0.0000 0.0000 209.9947 196.2928 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Fructose 1_6-bisphosphate_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 117.4584 310.4064 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Fructose 1_6-bisphosphate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 15.8944 489.5664 Fructose 1_6-bisphosphate_13C_4 0.0000 0.0000 0.0000 414.9154 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 616.8775 219.5657 Fructose 1_6-bisphosphate_13C_5 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Fructose 1_6-bisphosphate_13C_6 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Glucose 6-phosphate or fructose-6-phosphate 551755.4256 677906.2439 645075.5002 180421.5906 569016.2340 522322.3264 0.0000 942860.3305 502424.0223 153897.2587 398731.7014 560022.3552 611313.4930 293504.1426 358991.7477 685056.6486 359446.3153 566985.1514 372335.8953 368667.7967 539774.2757 722638.4414 387926.1027 658262.9475 Glucose 6-phosphate or fructose-6-phosphate_13C_1 215.9241 2175.4934 5822.9338 388.0912 0.0000 1818.9826 0.0000 4093.9275 1680.4482 397.5682 531.8259 0.0000 47.1466 1281.2111 1685.7084 3886.8976 1223.7658 0.0000 1381.0679 2239.5457 3147.5796 870.4074 938.8508 1340.3329 Glucose 6-phosphate or fructose-6-phosphate_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Glucose 6-phosphate or fructose-6-phosphate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Glucose 6-phosphate or fructose-6-phosphate_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Glucose 6-phosphate or fructose-6-phosphate_13C_5 0.0000 11.5167 0.0000 0.0000 8.3023 8.5985 0.0000 0.0000 0.0000 2.3527 0.0000 0.0000 0.0000 0.0000 0.0000 10.3587 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Glucose 6-phosphate or fructose-6-phosphate_13C_6 0.0000 384.5590 0.0000 0.0000 4207.5235 862.7322 0.0000 0.0000 0.0000 400.3516 0.0000 0.0000 0.0000 0.0000 0.0000 1179.6423 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Glutamate 4631159.1630 5106144.0720 5677133.1630 0.0000 6793458.2680 5763364.4260 3931422.8120 7172363.4290 4498047.8340 1475998.4040 3583550.9320 4614106.0750 6698373.5430 3124414.0300 3087791.0740 5568817.8880 3828543.7000 6086190.4510 4225352.3750 4570879.9210 5146066.7300 7044080.6410 4593267.8910 5391607.6670 Glutamate_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 834.4125 0.0000 0.0000 853.1977 790.5291 355.9850 0.0000 1953.6287 3925.3726 0.0000 2168.4636 0.0000 2979.8081 0.0000 Glutamate_13C_2 0.0000 0.0000 0.0000 0.0000 575.9525 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 864.5221 445.2985 1225.6410 1275.3045 702.0884 3510.0040 3510.4894 1600.4835 0.0000 5498.7544 2157.8247 2114.1507 Glutamate_13C_3 345.9789 0.0000 201.2578 0.0000 231.8221 1337.3897 610.4784 430.2843 160.9387 140.0826 576.7631 126.4898 895.9207 722.5038 520.5111 24.4303 2778.1888 4200.6228 4165.2363 3462.7484 2721.5970 2154.0966 586.7073 3841.3058 Glutamate_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.7707 0.0000 0.0000 0.0000 0.0000 Glutamate_13C_5 1272.2003 1530.3166 1158.4560 0.0000 2908.4716 1656.4795 1933.3273 3526.9999 1780.1894 624.8757 2108.4796 2556.1649 18780.0368 8487.7956 7055.8204 12682.2006 8962.7740 13284.5892 10617.4609 11908.1882 12034.2681 16700.0000 11880.2507 12120.3517 Lactate 44829.1342 32549.0255 41334.3837 0.0000 30269.6421 24368.6383 4178.0776 4428.2373 25455.6197 9273.1148 16429.6633 22636.8801 135164.7507 133907.5079 27208.9315 52212.1914 20092.3366 36250.5591 23138.0985 20807.4041 43789.3731 67276.8987 26959.1936 33576.7728 Lactate_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Lactate_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Lactate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Malate 1207548.4190 1379395.8990 1477972.2160 485625.9389 1614923.5590 1495715.2590 852018.8392 1448517.6930 1097832.0580 377652.6418 935085.9707 1170724.4170 1609205.4680 773113.5591 830115.4478 1482910.9880 939774.4694 1564645.1850 1089408.3820 1075850.1090 1317170.8080 1746338.9660 1151749.6270 1373974.9860 Malate_13C_1 503.0365 0.0000 4097.2789 72.7266 4450.4462 555.2785 26.2080 2389.3853 1331.3195 20.1107 2505.4100 4242.9959 474.3068 1544.2826 3394.7782 1067.4721 0.0000 1609.3445 1737.9169 0.0000 0.0000 5603.9830 0.0000 2890.6438 Malate_13C_2 2404.3657 166.0538 0.0000 2.1147 1333.0135 0.0000 364.5819 488.3970 0.0000 97.4968 33.0292 0.0000 2965.6621 373.3573 0.0000 167.1791 1920.2991 2712.5235 840.1127 3137.3341 244.4830 2786.4990 376.5295 1423.2353 Malate_13C_3 539.4020 771.1604 106.8753 65.8313 450.0314 543.9709 396.4465 1362.8819 0.0000 22.7579 0.0000 139.7264 3271.9454 1342.7547 1301.9003 2220.3936 1386.3570 1329.5863 719.1166 0.0000 588.8648 0.0000 782.3561 1392.5833 Malate_13C_4 11531.8977 13027.5195 9138.7008 4104.6354 10781.4128 12143.0797 7798.6502 14339.3490 9973.8390 2985.4392 11400.4600 15858.5140 76755.4981 33340.1992 31609.6950 61333.7712 24409.9651 29517.2302 29410.0363 33977.4496 36035.5409 53342.9373 37319.8575 35252.6770 Malonyl-CoA 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Malonyl-CoA_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Malonyl-CoA_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Malonyl-CoA_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide oxidized 675.2974 808.9287 3940.5760 0.0000 4910.3033 2078.0524 0.0000 0.0000 4472.1571 593.9727 201.1036 582.5107 4621.1396 2183.8575 1393.2214 4023.2261 2690.7555 3328.6043 0.0000 2068.1008 810.8967 1748.9078 1965.8387 5802.6218 Nicotinamide Adenine Dinucleotide oxidized_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide oxidized_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide oxidized_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide oxidized_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide oxidized_13C_5 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide reduced 0.0000 294.2668 4594.2747 0.0000 1085.8410 0.0000 0.0000 0.0000 2506.1943 69.0261 0.0000 284.9910 4332.0753 453.6050 1264.6355 3073.5244 805.3385 341.0410 0.0000 2946.3424 315.0194 0.0000 1580.5231 7256.7475 Nicotinamide Adenine Dinucleotide reduced_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide reduced_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide reduced_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide reduced_13C_4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Nicotinamide Adenine Dinucleotide reduced_13C_5 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Phosphoenolpyruvate 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Phosphoenolpyruvate_13C_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Phosphoenolpyruvate_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Phosphoenolpyruvate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Ribose-5-phosphate or xylulose 5-phosphate 31230.6212 47656.4335 63747.3019 12714.7932 51020.0483 27772.2468 21375.1451 53988.7857 31710.2882 14667.3104 33395.1008 59707.7099 58804.0957 18589.1542 27226.1394 35998.6721 19932.6097 29069.7830 25781.6643 36443.9869 36977.2718 46220.3751 23362.6812 65306.1963 Ribose-5-phosphate or xylulose 5-phosphate_13C_1 350.8604 2206.1175 4296.3974 654.3138 0.0000 1746.2942 1558.1905 27.7157 2505.9087 56.8925 0.0000 131.3438 2333.7483 245.2103 0.0000 0.0000 0.0000 29.8631 0.0000 1343.9648 1035.7460 2306.1113 553.4267 1539.1124 Ribose-5-phosphate or xylulose 5-phosphate_13C_2 0.0000 1489.7524 751.9942 546.2942 1128.1216 1427.8907 1013.9767 1908.5937 665.4752 172.5565 538.5640 536.8981 444.6853 784.0524 534.2780 1044.8039 924.6562 1157.0428 821.7063 1005.2288 645.1259 1149.8063 1434.4268 682.9441 Ribose-5-phosphate or xylulose 5-phosphate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 123.9635 486.3448 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Ribose-5-phosphate or xylulose 5-phosphate_13C_4 0.0000 0.0000 1597.6054 505.3789 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1246.2652 0.0000 0.0000 0.0000 0.0000 0.0000 1372.6747 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Ribose-5-phosphate or xylulose 5-phosphate_13C_5 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Sedoheptulose 7-phosphate 26036.4868 33746.0428 30193.1537 9408.2063 28690.5687 30096.4264 11383.0009 0.0000 30364.0049 6451.3346 14171.2585 22511.8530 26443.8869 13408.8117 18971.4451 45513.9433 22068.4508 31624.2294 18162.9073 17640.2983 30571.2061 40219.2157 23088.1603 23977.9476 Sedoheptulose 7-phosphate_13C_1 412.1798 594.7958 0.0000 104.0841 0.0000 267.1262 0.0000 0.0000 833.5020 90.9609 0.0000 0.0000 354.5354 501.6310 0.0000 0.0000 237.4927 0.0000 1533.6260 0.0000 930.7967 0.0000 183.6053 335.3050 Sedoheptulose 7-phosphate_13C_2 2780.0307 0.0000 0.0000 0.0000 1591.1581 0.0000 0.0000 0.0000 0.0000 325.1551 2805.5561 1518.6030 0.0000 0.0000 1293.2493 3469.9434 539.3981 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Sedoheptulose 7-phosphate_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Sedoheptulose 7-phosphate_13C_4 0.0000 0.0000 0.0000 2.6444 0.0000 0.0000 0.0000 0.0000 9.0046 0.0000 0.0000 0.0000 0.0000 4.1026 0.0000 0.0000 0.0000 8.4567 0.0000 0.0000 0.0000 10.6468 0.0000 0.0000 Sedoheptulose 7-phosphate_13C_5 0.0000 0.0000 0.0000 0.0992 0.0000 0.0000 0.0000 0.0000 0.4221 0.0000 0.0000 0.0000 0.0000 0.2137 0.0000 0.0000 0.0000 0.2397 0.0000 0.0000 0.0000 0.2814 0.0000 0.0000 Sedoheptulose 7-phosphate_13C_6 0.0000 0.0000 0.0000 73.3205 0.0000 0.0000 0.0000 0.0000 223.2321 0.0000 0.0000 0.0000 0.0000 191.9963 0.0000 0.0000 0.0000 245.6144 0.0000 0.0000 0.0000 849.5590 0.0000 0.0000 Sedoheptulose 7-phosphate_13C_7 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Sucrose 43349.1511 42691.8644 51830.0400 17271.8818 66331.3874 48331.8990 13596.4609 26578.7441 31665.4234 13561.9680 27711.9088 38171.7455 68386.7863 34901.6073 30274.9323 54275.0549 33660.6569 53939.0178 34805.6411 38830.2639 42030.9755 56443.5319 33654.8912 44854.8323 Sucrose_13C_1 767.9289 0.0000 15.5666 29.3019 142.8446 0.0000 0.0000 0.0000 411.5162 0.0000 0.0000 0.0000 133.0883 0.0000 0.0000 0.0000 709.9561 0.0000 0.0000 0.0000 138.2684 0.0000 0.0000 149.5932 Sucrose_13C_2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 485.6404 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Sucrose_13C_3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.1080 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Sucrose_13C_4 0.0000 0.0000 0.0000 0.0000 1328.7867 0.0000 0.0000 0.0000 0.0000 0.0000 1566.9507 0.0000 0.0000 0.0000 1503.0329 4165.4160 2608.2979 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 2 or 3-phosphoglycerate_13C_1 724 2PG/3PG_13C_1 UM_Target_ID 2 or 3-phosphoglycerate_13C_2 724 2PG/3PG_13C_2 UM_Target_ID 2 or 3-phosphoglycerate_13C_3 724 2PG/3PG_13C_3 UM_Target_ID 2 or 3-phosphoglycerate_2PG/3PG 724 2PG/3PG UM_Target_ID 3-Glycerophosphate 754 GI_OH3P UM_Target_ID 3-Glycerophosphate_13C_1 754 GI_OH3P_13C_1 UM_Target_ID 3-Glycerophosphate_13C_2 754 GI_OH3P_13C_2 UM_Target_ID 3-Glycerophosphate_13C_3 754 GI_OH3P_13C_3 UM_Target_ID 3-phosphoglyceraldehyde 729 G3P UM_Target_ID 3-phosphoglyceraldehyde_13C_1 729 G3P_13C_1 UM_Target_ID 3-phosphoglyceraldehyde_13C_2 729 G3P_13C_2 UM_Target_ID 3-phosphoglyceraldehyde_13C_3 729 G3P_13C_3 UM_Target_ID 6-Phosphogluconate 91493 6PG UM_Target_ID 6-Phosphogluconate_13C_1 91493 6PG_13C_1 UM_Target_ID 6-Phosphogluconate_13C_2 91493 6PG_13C_2 UM_Target_ID 6-Phosphogluconate_13C_3 91493 6PG_13C_3 UM_Target_ID 6-Phosphogluconate_13C_4 91493 6PG_13C_4 UM_Target_ID 6-Phosphogluconate_13C_5 91493 6PG_13C_5 UM_Target_ID 6-Phosphogluconate_13C_6 91493 6PG_13C_6 UM_Target_ID Acetyl-CoA 444493 aCoA UM_Target_ID Acetyl-CoA_13C_1 444493 aCoA_13C_1 UM_Target_ID Acetyl-CoA_13C_2 444493 aCoA_13C_2 UM_Target_ID Adenosine diphosphate_13C_1 6022 ADP_13C_1 UM_Target_ID Adenosine diphosphate_13C_2 6022 ADP_13C_2 UM_Target_ID Adenosine diphosphate_13C_3 6022 ADP_13C_3 UM_Target_ID Adenosine diphosphate_13C_4 6022 ADP_13C_4 UM_Target_ID Adenosine diphosphate_13C_5 6022 ADP_13C_5 UM_Target_ID Adenosine monophosphate_13C_1 6083 AMP_13C_1 UM_Target_ID Adenosine monophosphate_13C_2 6083 AMP_13C_2 UM_Target_ID Adenosine monophosphate_13C_3 6083 AMP_13C_3 UM_Target_ID Adenosine monophosphate_13C_4 6083 AMP_13C_4 UM_Target_ID Adenosine monophosphate_13C_5 6083 AMP_13C_5 UM_Target_ID Adenosine triphosphate_13C_1 5957 ATP_13C_1 UM_Target_ID Adenosine triphosphate_13C_2 5957 ATP_13C_2 UM_Target_ID Adenosine triphosphate_13C_3 5957 ATP_13C_3 UM_Target_ID Adenosine triphosphate_13C_4 5957 ATP_13C_4 UM_Target_ID Adenosine triphosphate_13C_5 5957 ATP_13C_5 UM_Target_ID ADP 6022 ADP UM_Target_ID AMP 6083 AMP UM_Target_ID Aspartate 424 ASP UM_Target_ID Aspartate_13C_1 424 ASP_13C_1 UM_Target_ID Aspartate_13C_2 424 ASP_13C_2 UM_Target_ID Aspartate_13C_3 424 ASP_13C_3 UM_Target_ID Aspartate_13C_4 424 ASP_13C_4 UM_Target_ID ATP 5957 ATP UM_Target_ID Citrate or Isocitrate 311 CIT/ICIT UM_Target_ID Citrate or Isocitrate_13C_1 311 CIT/ICIT_13C_1 UM_Target_ID Citrate or Isocitrate_13C_2 311 CIT/ICIT_13C_2 UM_Target_ID Citrate or Isocitrate_13C_3 311 CIT/ICIT_13C_3 UM_Target_ID Citrate or Isocitrate_13C_4 311 CIT/ICIT_13C_4 UM_Target_ID Citrate or Isocitrate_13C_5 311 CIT/ICIT_13C_5 UM_Target_ID Citrate or Isocitrate_13C_6 311 CIT/ICIT_13C_6 UM_Target_ID Erythrose 4-phosphate 122357 E4P UM_Target_ID Erythrose 4-phosphate_13C_1 122357 E4P_13C_1 UM_Target_ID Erythrose 4-phosphate_13C_2 122357 E4P_13C_2 UM_Target_ID Erythrose 4-phosphate_13C_3 122357 E4P_13C_3 UM_Target_ID Erythrose 4-phosphate_13C_4 122357 E4P_13C_4 UM_Target_ID Fructose 1,6-bisphosphate 21125049 FBP UM_Target_ID Fructose 1,6-bisphosphate_13C_1 21125049 FBP_13C_1 UM_Target_ID Fructose 1,6-bisphosphate_13C_2 21125049 FBP_13C_2 UM_Target_ID Fructose 1,6-bisphosphate_13C_3 21125049 FBP_13C_3 UM_Target_ID Fructose 1,6-bisphosphate_13C_4 21125049 FBP_13C_4 UM_Target_ID Fructose 1,6-bisphosphate_13C_5 21125049 FBP_13C_5 UM_Target_ID Fructose 1,6-bisphosphate_13C_6 21125049 FBP_13C_6 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate 5958 G6P/F6P UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_1 5958 G6P/F6P_13C_1 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_2 5958 G6P/F6P_13C_2 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_3 5958 G6P/F6P_13C_3 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_4 5958 G6P/F6P_13C_4 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_5 5958 G6P/F6P_13C_5 UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate_13C_6 5958 G6P/F6P_13C_6 UM_Target_ID Glutamate 611 GLU UM_Target_ID Glutamate_13C_1 611 GLU_13C_1 UM_Target_ID Glutamate_13C_2 611 GLU_13C_2 UM_Target_ID Glutamate_13C_3 611 GLU_13C_3 UM_Target_ID Glutamate_13C_4 611 GLU_13C_4 UM_Target_ID Glutamate_13C_5 611 GLU_13C_5 UM_Target_ID Lactate 612 LAC UM_Target_ID Lactate_13C_1 612 LAC_13C_1 UM_Target_ID Lactate_13C_2 612 LAC_13C_2 UM_Target_ID Lactate_13C_3 612 LAC_13C_3 UM_Target_ID Malate 525 MAL UM_Target_ID Malate_13C_1 525 MAL_13C_1 UM_Target_ID Malate_13C_2 525 MAL_13C_2 UM_Target_ID Malate_13C_3 525 MAL_13C_3 UM_Target_ID Malate_13C_4 525 MAL_13C_4 UM_Target_ID Malonyl-CoA 10663 mCoA UM_Target_ID Malonyl-CoA_13C_1 10663 mCoA_13C_1 UM_Target_ID Malonyl-CoA_13C_2 10663 mCoA_13C_2 UM_Target_ID Malonyl-CoA_13C_3 10663 mCoA_13C_3 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized 15938971 NAD UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_1 15938971 NAD_13C_1 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_2 15938971 NAD_13C_2 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_3 15938971 NAD_13C_3 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_4 15938971 NAD_13C_4 UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized_13C_5 15938971 NAD_13C_5 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced 439153 NADH UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_1 439153 NADH_13C_1 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_2 439153 NADH_13C_2 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_3 439153 NADH_13C_3 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_4 439153 NADH_13C_4 UM_Target_ID Nicotinamide Adenine Dinucleotide reduced_13C_5 439153 NADH_13C_5 UM_Target_ID Phosphoenolpyruvate 1005 PEP UM_Target_ID Phosphoenolpyruvate_13C_1 1005 PEP_13C_1 UM_Target_ID Phosphoenolpyruvate_13C_2 1005 PEP_13C_2 UM_Target_ID Phosphoenolpyruvate_13C_3 1005 PEP_13C_3 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate 77982 R5P/X5P UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_1 77982 R5P/X5P_13C_1 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_2 77982 R5P/X5P_13C_2 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_3 77982 R5P/X5P_13C_3 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_4 77982 R5P/X5P_13C_4 UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate_13C_5 77982 R5P/X5P_13C_5 UM_Target_ID Sedoheptulose 7-phosphate 165007 S7P UM_Target_ID Sedoheptulose 7-phosphate_13C_1 165007 S7P_13C_1 UM_Target_ID Sedoheptulose 7-phosphate_13C_2 165007 S7P_13C_2 UM_Target_ID Sedoheptulose 7-phosphate_13C_3 165007 S7P_13C_3 UM_Target_ID Sedoheptulose 7-phosphate_13C_4 165007 S7P_13C_4 UM_Target_ID Sedoheptulose 7-phosphate_13C_5 165007 S7P_13C_5 UM_Target_ID Sedoheptulose 7-phosphate_13C_6 165007 S7P_13C_6 UM_Target_ID Sedoheptulose 7-phosphate_13C_7 165007 S7P_13C_7 UM_Target_ID Sucrose 5988 SUC UM_Target_ID Sucrose_13C_1 5988 SUC_13C_1 UM_Target_ID Sucrose_13C_2 5988 SUC_13C_2 UM_Target_ID Sucrose_13C_3 5988 SUC_13C_3 UM_Target_ID Sucrose_13C_4 5988 SUC_13C_4 UM_Target_ID METABOLITES_END #END