#METABOLOMICS WORKBENCH araskind_20150611_9551291_mwtab.txt DATATRACK_ID:307 STUDY_ID:ST000202 ANALYSIS_ID:AN000304 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 II) 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-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 S00013540 S00013540 S00013541 S00013541 S00013542 S00013542 S00013543 S00013543 S00013536 S00013536 S00013537 S00013537 S00013538 S00013538 S00013539 S00013539 S00013532 S00013532 S00013533 S00013533 S00013534 S00013534 S00013535 S00013535 S00013563 S00013563 S00013564 S00013564 S00013565 S00013565 S00013566 S00013566 S00013560 S00013560 S00013561 S00013561 S00013562 S00013562 S00013556 S00013556 S00013557 S00013557 S00013558 S00013558 S00013559 S00013559 S00013552 S00013552 S00013553 S00013553 S00013554 S00013554 S00013555 S00013555 S00013548 S00013548 S00013549 S00013549 S00013550 S00013550 S00013551 S00013551 S00013544 S00013544 S00013545 S00013545 S00013546 S00013546 S00013547 S00013547 Factors 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):0 | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):1 h | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):0 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):1 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):6 13C6 Citrate (mM):none | LPS (Time):30 min | Citrate (mM):6 2 or 3-phosphoglycerate_2PG/3PG 1.8506 1.0546 2.3204 0.0000 1.1874 0.6653 0.4794 1.4250 3.8193 3.5185 3.8415 3.6341 0.0000 0.9886 1.5678 2.5421 2.3973 0.9349 0.0000 1.4290 1.2480 2.6042 1.2559 2.0601 0.0000 2.1419 0.0000 1.7552 2.8352 0.0000 0.0000 2.3683 0.5156 1.8688 1.4328 6-Phosphogluconate 2.3149 1.3363 2.7300 1.6113 1.4539 0.8110 0.5892 1.6799 4.2332 3.6338 4.4280 3.7765 2.1034 1.4553 1.9139 2.9609 3.0020 1.1236 2.1933 1.8416 1.5099 3.0586 1.4898 2.5493 1.8590 2.5085 2.3831 2.1810 3.3562 2.0682 1.7177 2.8520 0.7281 2.1197 1.8151 Acetyl-CoA 1.0780 0.4485 0.5239 0.4205 0.5994 0.2793 0.1860 0.4937 0.1986 0.3492 0.2304 0.2686 0.6797 0.3789 0.6420 0.7807 1.2110 0.3979 0.6019 0.5642 0.4753 0.8690 0.5586 0.9051 0.5670 0.6817 0.4620 0.7532 0.6802 0.6457 0.4860 0.9718 0.1844 0.5741 0.6356 ADP 49.8708 28.2699 37.3402 26.4350 31.3535 14.8794 10.6694 27.9291 16.4527 22.2786 15.6682 22.3661 33.5800 18.2720 31.4972 44.3124 55.8492 20.0593 36.3441 28.3338 24.2415 40.8584 32.0948 45.6851 33.3860 34.7173 26.9772 40.5650 35.4718 37.4907 27.6030 52.0169 10.0637 33.6424 35.9934 AMP 601.4152 215.1355 283.2006 194.4460 229.8055 98.3094 82.1819 256.7026 188.2079 142.7334 107.9554 116.0585 317.3157 143.0243 198.5779 258.4748 575.5748 285.4424 343.9975 209.5927 211.9127 302.9874 379.0297 419.6070 232.5492 196.6792 148.9659 458.1458 287.0625 265.9440 264.6559 412.7469 87.2085 280.2280 370.3935 ATP 49.6259 40.5138 56.6645 39.4679 52.4291 26.7723 15.0068 36.5530 25.6294 45.4237 33.7797 48.3703 44.4978 28.5934 57.7194 83.6354 66.4032 18.1800 42.9509 46.2198 38.5446 63.3459 30.6929 61.5373 48.4835 67.1129 61.4196 41.0174 48.0345 55.0460 32.2557 74.2014 14.5695 48.9260 42.4944 Citrate or Isocitrate 23.9869 13.9876 20.2698 15.5850 29.2432 17.1039 11.8142 33.6833 328.9695 340.2073 1242.8695 228.6038 19.8324 9.1078 17.5359 25.9506 47.0490 16.2258 40.8886 169.7264 68.2482 231.0926 86.2618 23.3970 16.5174 19.8279 17.3113 33.2187 89.9161 56.8217 33.7904 269.3915 56.8821 104.3193 79.6484 Erythrose 4-phosphate 28229.7283 14068.0874 27755.6433 13445.6122 15128.6925 8996.4089 6928.7319 18050.4819 19198.3236 11199.2618 8359.5837 0.0000 18890.6821 9790.0512 19704.5325 24527.7673 25190.3250 9198.0185 22722.4720 14802.4508 12526.3399 22251.6758 14112.9814 24784.2045 16507.9254 12549.5527 19278.7623 24086.5940 20862.4347 22373.4443 20118.9448 29487.7819 5243.0422 19328.8841 17734.3278 flavin adenine dinucleotide 0.2093 0.1078 0.1593 0.1053 0.1238 0.0607 0.0351 0.1076 0.0626 0.0667 0.0582 0.0853 0.1709 0.1009 0.1663 0.2144 0.2813 0.0932 0.1598 0.1375 0.1187 0.1989 0.1369 0.2251 0.1426 0.1656 0.1382 0.1640 0.1456 0.1499 0.1133 0.2333 0.0449 0.1450 0.1602 Fructose 1_6-bisphosphate 8.8218 2.0038 2.2410 1.5362 3.5501 1.1847 1.0320 3.3342 5.1737 3.7101 2.4929 2.5593 4.3710 1.7697 2.3554 2.6925 9.1667 6.0135 2.1715 1.8567 2.9940 4.0325 5.0500 4.0830 2.5699 2.2969 2.6198 6.4476 3.1532 2.6336 2.9105 3.9357 1.0296 3.3545 4.1343 Glucose 6-phosphate or fructose-6-phosphate 21.7321 11.4516 17.1047 10.9598 10.8585 5.4434 3.8623 11.0623 10.4155 9.5788 7.2399 8.9058 13.2046 8.0151 11.2076 16.5255 21.0066 8.0064 16.3405 11.8079 10.5707 16.1722 12.6890 19.2631 11.6815 13.9861 11.1877 16.2660 16.1275 14.1796 11.7446 20.3244 4.6411 13.5079 14.7788 Lactate 388.6328 213.0316 463.5945 182.7042 229.6008 118.7811 111.7546 291.0859 532.8511 707.1564 3397.0724 361.2492 310.9164 130.4796 365.9688 792.3734 461.4183 179.6381 355.4279 394.4962 248.5104 632.1092 255.2528 822.9854 241.8078 371.8557 285.9462 374.1227 605.2672 353.8546 236.9269 564.0206 120.0114 322.4071 311.1825 Malate 28.9653 12.8190 23.4428 11.9587 17.0042 8.3926 5.3592 15.2882 4.5024 4.4960 0.0000 6.0514 18.7508 11.5174 21.7401 28.5016 34.2743 12.2249 22.2571 17.9050 15.0449 24.2606 16.7274 26.9459 17.3472 22.1256 16.3847 23.3215 21.4634 18.8866 13.3677 26.2245 5.8452 18.7065 20.5340 Nicotinamide Adenine Dinucleotide oxidized 0.2406 0.0935 0.0286 0.0461 0.2065 0.0577 0.0211 0.0780 0.2953 0.0854 0.0411 0.0403 0.1015 0.0849 0.1398 0.1196 0.1781 0.0530 0.0599 0.1329 0.1121 0.1691 0.1095 0.1260 0.0590 0.0761 0.0741 0.0983 0.0362 0.0873 0.0637 0.1006 0.0433 0.1105 0.1062 nicotinamide adenine dinucleotide phosphate oxidized 0.1350 0.0587 0.0705 0.0519 0.0990 0.0557 0.0239 0.0637 0.1776 0.0590 0.0000 0.0000 0.0927 0.1445 0.1113 0.1198 0.2074 0.0444 0.0504 0.1945 0.1326 0.5167 0.1057 0.1718 0.0718 0.0827 0.0477 0.1220 0.2140 0.0800 0.0508 0.2427 0.0620 0.1569 0.1352 nicotinamide adenine dinucleotide phosphate reduced 0.1664 0.0160 0.0000 0.0301 0.2056 0.0723 0.0083 0.0000 0.0000 0.0000 0.0000 0.0000 0.0612 0.0624 0.2676 0.0838 0.1900 0.1287 0.0000 0.0638 0.0484 0.0346 0.0862 0.0771 0.0261 0.0000 0.0335 0.0662 0.0000 0.1196 0.0000 0.0524 0.0094 0.1063 0.1557 Nicotinamide Adenine Dinucleotide reduced 0.0487 0.0016 0.0000 0.0000 0.0206 0.0027 0.0009 0.0034 0.0066 0.0000 0.0000 0.0061 0.0239 0.0107 0.0146 0.0000 0.0241 0.0065 0.0052 0.0111 0.0044 0.0038 0.0169 0.0191 0.0000 0.0000 0.0000 0.0031 0.0000 0.0000 0.0000 0.0040 0.0071 0.0195 0.0383 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 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 85455.6147 36028.9694 35439.6935 33266.6723 36315.8890 16698.9953 13139.5594 39965.2976 40168.2108 41906.9672 37080.4629 34399.0146 53434.6590 21166.5386 32244.8339 51153.6305 94707.9452 50473.1735 49556.8792 26614.8189 29947.4577 49585.0298 59824.8131 53554.2034 41574.9344 31784.0873 31425.8450 67716.6240 50781.8506 43131.3023 44037.9423 61241.5022 12637.9485 43943.8694 55221.9620 Sedoheptulose 7-phosphate 40012.9116 23664.5000 27702.8476 27420.1348 15990.4568 6948.5574 7895.9856 19701.7992 0.0000 27274.4705 0.0000 0.0000 24796.7676 15582.1119 19779.0154 24939.2031 27939.3191 12142.3179 31868.8991 19982.2756 18579.5219 31980.5147 17979.1306 27187.5494 22586.7167 17571.4921 29509.0936 20575.8897 26187.7179 42647.7442 24200.6696 34028.1851 9111.9553 19378.3747 25040.2011 Sucrose 7.3789 3.2521 6.3991 3.3656 4.3749 2.3500 1.4001 3.9545 5.0132 4.3890 4.3986 4.3088 5.0889 2.6571 4.6002 7.2432 9.4620 3.0792 5.1222 4.6857 4.3488 6.8687 3.8808 7.0156 4.3945 6.0965 4.2170 6.1767 6.2973 4.1537 3.6376 7.2899 1.4666 4.5559 5.0843 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_2PG/3PG 724 2PG/3PG UM_Target_ID 6-Phosphogluconate 91493 6PG UM_Target_ID Acetyl-CoA 444493 aCoA UM_Target_ID ADP 6022 ADP UM_Target_ID AMP 6083 AMP UM_Target_ID ATP 5957 ATP UM_Target_ID Citrate or Isocitrate 311 CIT/ICIT UM_Target_ID Erythrose 4-phosphate 122357 E4P UM_Target_ID flavin adenine dinucleotide 46906035 FAD UM_Target_ID Fructose 1,6-bisphosphate 21125049 FBP UM_Target_ID Glucose 6-phosphate or fructose-6-phosphate 5958 G6P/F6P UM_Target_ID Lactate 612 LAC UM_Target_ID Malate 525 MAL UM_Target_ID Nicotinamide Adenine Dinucleotide oxidized 15938971 NAD UM_Target_ID nicotinamide adenine dinucleotide phosphate oxidized 15938972 NADP UM_Target_ID nicotinamide adenine dinucleotide phosphate reduced 22833512 NADPH UM_Target_ID Nicotinamide Adenine Dinucleotide reduced 439153 NADH UM_Target_ID Phosphoenolpyruvate 1005 PEP UM_Target_ID Ribose-5-phosphate or xylulose 5-phosphate 77982 R5P/X5P UM_Target_ID Sedoheptulose 7-phosphate 165007 S7P UM_Target_ID Sucrose 5988 SUC UM_Target_ID METABOLITES_END #END