#METABOLOMICS WORKBENCH WangZC_20190106_225359 DATATRACK_ID:1595 STUDY_ID:ST001167 ANALYSIS_ID:AN001930 PROJECT_ID:PR000779 VERSION 1 CREATED_ON April 9, 2019, 6:10 pm #PROJECT PR:PROJECT_TITLE Comprehensive Profiling by Non-targeted Stable Isotope Tracing Capillary PR:PROJECT_TITLE Electrophoresis-Mass Spectrometry PR:PROJECT_SUMMARY Prostate cell RWPE1 and prostate cancer cell VCaP were labeled with 13C6-Glucose PR:PROJECT_SUMMARY for 6 time points 0h, 0.25h, 4h, 12h, 24h and 6 days. Then CE-MS based PR:PROJECT_SUMMARY metabolomics analysis were peformed. PR:INSTITUTE Dalian Institute Of Chemical Physics, Chinese Academy Of Sciences PR:DEPARTMENT Group, 1808 PR:LAST_NAME Wang PR:FIRST_NAME Zhichao PR:ADDRESS 457, Zhongshan Road, Dalian, Shenyang PR:EMAIL wangzc05@dicp.ac.cn PR:PHONE +86-15998625250 PR:PROJECT_COMMENTS A Novel Tool Complementing Metabolomics Analyses of Polar Metabolites #STUDY ST:STUDY_TITLE Comprehensive Profiling by Non-targeted Stable Isotope Tracing Capillary ST:STUDY_TITLE Electrophoresis-Mass Spectrometry ST:STUDY_SUMMARY We developed a stable-isotope tracing capillary electrophoresis (CE)-MS ST:STUDY_SUMMARY metabolomics approach to cover polar metabolites as well as isotopologues in a ST:STUDY_SUMMARY non-targeted way. An in-house developed software enables high throughput ST:STUDY_SUMMARY processing of complex multi-dimensional data. The practicability is demonstrated ST:STUDY_SUMMARY analysing 13C-U-glucose exposed prostate cancer and non-cancer cells. ST:INSTITUTE Dalian Institute Of Chemical Physics, Chinese Academy Of Sciences ST:LAST_NAME Wang ST:FIRST_NAME Zhichao ST:ADDRESS 457, Zhongshan Road ST:EMAIL wangzc05@dicp.ac.cn ST:PHONE +86-15998625250 ST:STUDY_COMMENTS Comprehensive Profiling by Non-targeted Stable Isotope Tracing Capillary ST:STUDY_COMMENTS Electrophoresis-Mass Spectrometry - A Novel Tool Complementing Metabolomics ST:STUDY_COMMENTS Analyses of Polar Metabolites #SUBJECT SU:SUBJECT_TYPE Cultured cells 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 - 12RWPE1_0-1 Cell lines:RWPE1 | Time points:0h SUBJECT_SAMPLE_FACTORS - 12RWPE1_0-2 Cell lines:RWPE1 | Time points:0h SUBJECT_SAMPLE_FACTORS - 12RWPE1_0-3 Cell lines:RWPE1 | Time points:0h SUBJECT_SAMPLE_FACTORS - 12RWPE1_0-4 Cell lines:RWPE1 | Time points:0h SUBJECT_SAMPLE_FACTORS - 13RWPE1_0.25-2 Cell lines:RWPE1 | Time points:0.25h SUBJECT_SAMPLE_FACTORS - 13RWPE1_0.25-3 Cell lines:RWPE1 | Time points:0.25h SUBJECT_SAMPLE_FACTORS - 13RWPE1_0.25-4 Cell lines:RWPE1 | Time points:0.25h SUBJECT_SAMPLE_FACTORS - 13RWPE1_4-2 Cell lines:RWPE1 | Time points:4h SUBJECT_SAMPLE_FACTORS - 13RWPE1_4-3 Cell lines:RWPE1 | Time points:4h SUBJECT_SAMPLE_FACTORS - 13RWPE1_4-4 Cell lines:RWPE1 | Time points:4h SUBJECT_SAMPLE_FACTORS - 13RWPE1_12-1 Cell lines:RWPE1 | Time points:12h SUBJECT_SAMPLE_FACTORS - 13RWPE1_12-2 Cell lines:RWPE1 | Time points:12h SUBJECT_SAMPLE_FACTORS - 13RWPE1_12-3 Cell lines:RWPE1 | Time points:12h SUBJECT_SAMPLE_FACTORS - 13RWPE1_12-4 Cell lines:RWPE1 | Time points:12h SUBJECT_SAMPLE_FACTORS - 13RWPE1_24-1 Cell lines:RWPE1 | Time points:24h SUBJECT_SAMPLE_FACTORS - 13RWPE1_24-2 Cell lines:RWPE1 | Time points:24h SUBJECT_SAMPLE_FACTORS - 13RWPE1_24-3 Cell lines:RWPE1 | Time points:24h SUBJECT_SAMPLE_FACTORS - 13RWPE1_24-4 Cell lines:RWPE1 | Time points:24h SUBJECT_SAMPLE_FACTORS - 13RWPE1_P3-1 Cell lines:RWPE1 | Time points:6days SUBJECT_SAMPLE_FACTORS - 13RWPE1_P3-2 Cell lines:RWPE1 | Time points:6days SUBJECT_SAMPLE_FACTORS - 13RWPE1_P3-3 Cell lines:RWPE1 | Time points:6days SUBJECT_SAMPLE_FACTORS - 13RWPE1_P3-4 Cell lines:RWPE1 | Time points:6days SUBJECT_SAMPLE_FACTORS - 12VCaP_0-1 Cell lines:VCaP | Time points:0h SUBJECT_SAMPLE_FACTORS - 12VCaP_0-2 Cell lines:VCaP | Time points:0h SUBJECT_SAMPLE_FACTORS - 12VCaP_0-3 Cell lines:VCaP | Time points:0h SUBJECT_SAMPLE_FACTORS - 12VCaP_0-4 Cell lines:VCaP | Time points:0h SUBJECT_SAMPLE_FACTORS - 13VCaP_0.25-1 Cell lines:VCaP | Time points:0.25h SUBJECT_SAMPLE_FACTORS - 13VCaP_0.25-2 Cell lines:VCaP | Time points:0.25h SUBJECT_SAMPLE_FACTORS - 13VCaP_0.25-3 Cell lines:VCaP | Time points:0.25h SUBJECT_SAMPLE_FACTORS - 13VCaP_0.25-4 Cell lines:VCaP | Time points:0.25h SUBJECT_SAMPLE_FACTORS - 13VCaP_4-1 Cell lines:VCaP | Time points:4h SUBJECT_SAMPLE_FACTORS - 13VCaP_4-2 Cell lines:VCaP | Time points:4h SUBJECT_SAMPLE_FACTORS - 13VCaP_4-3 Cell lines:VCaP | Time points:4h SUBJECT_SAMPLE_FACTORS - 13VCaP_4-4 Cell lines:VCaP | Time points:4h SUBJECT_SAMPLE_FACTORS - 13VCaP_12-1 Cell lines:VCaP | Time points:12h SUBJECT_SAMPLE_FACTORS - 13VCaP_12-2 Cell lines:VCaP | Time points:12h SUBJECT_SAMPLE_FACTORS - 13VCaP_12-3 Cell lines:VCaP | Time points:12h SUBJECT_SAMPLE_FACTORS - 13VCaP_12-4 Cell lines:VCaP | Time points:12h SUBJECT_SAMPLE_FACTORS - 13VCaP_24-1 Cell lines:VCaP | Time points:24h SUBJECT_SAMPLE_FACTORS - 13VCaP_24-2 Cell lines:VCaP | Time points:24h SUBJECT_SAMPLE_FACTORS - 13VCaP_24-3 Cell lines:VCaP | Time points:24h SUBJECT_SAMPLE_FACTORS - 13VCaP_24-4 Cell lines:VCaP | Time points:24h SUBJECT_SAMPLE_FACTORS - 13VCaP_P3-1 Cell lines:VCaP | Time points:6days SUBJECT_SAMPLE_FACTORS - 13VCaP_P3-2 Cell lines:VCaP | Time points:6days SUBJECT_SAMPLE_FACTORS - 13VCaP_P3-3 Cell lines:VCaP | Time points:6days SUBJECT_SAMPLE_FACTORS - 13VCaP_P3-4 Cell lines:VCaP | Time points:6days #COLLECTION CO:COLLECTION_SUMMARY cells were grown in RPMI 1640 medium containing 2 g/L glucose with 10% dFBS, and CO:COLLECTION_SUMMARY were harvested at 80% confluence. One hour before the isotope switch, the medium CO:COLLECTION_SUMMARY was aspirated and replaced with fresh unlabeled medium[1]. Subsequently, VCaP CO:COLLECTION_SUMMARY and RWPE-1 were cultured in RPMI 1640 medium with 2 g/L [U−13C]-glucose and CO:COLLECTION_SUMMARY 10% dFBS for 0 h, 0.25 h, 4 h, 12 h, 24 h and long-term for 6 days performing CO:COLLECTION_SUMMARY thereby 3 passages. 10 cm petri dish with 10 mL of media was used for each CO:COLLECTION_SUMMARY sample, and 4 independent biological replicates were prepared for the labeling CO:COLLECTION_SUMMARY experiments. Unlabeled samples were treated in the same way with medium CO:COLLECTION_SUMMARY containing unlabeled glucose. After the cultures have been grown for the CO:COLLECTION_SUMMARY targeted amount of time, the medium was aspirated completely, then cells were CO:COLLECTION_SUMMARY washed thrice with 5% D-mannitol solution, followed by inactivation with liquid CO:COLLECTION_SUMMARY nitrogen immediately. CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY One hour before the isotope switch, the medium was aspirated and replaced with TR:TREATMENT_SUMMARY fresh unlabeled medium[1]. Subsequently, VCaP and RWPE-1 were cultured in RPMI TR:TREATMENT_SUMMARY 1640 medium with 2 g/L [U−13C]-glucose and 10% dFBS for 0 h, 0.25 h, 4 h, 12 TR:TREATMENT_SUMMARY h, 24 h and long-term for 6 days performing thereby 3 passages. 10 cm petri dish TR:TREATMENT_SUMMARY with 10 mL of media was used for each sample, and 4 independent biological TR:TREATMENT_SUMMARY replicates were prepared for the labeling experiments. Unlabeled samples were TR:TREATMENT_SUMMARY treated in the same way with medium containing unlabeled glucose. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY After the cultures have been grown for the targeted amount of time, the medium SP:SAMPLEPREP_SUMMARY was aspirated completely, then cells were washed thrice with 5% D-mannitol SP:SAMPLEPREP_SUMMARY solution, followed by inactivation with liquid nitrogen immediately. Cells were SP:SAMPLEPREP_SUMMARY handled on ice during the preparation. 1 mL of precooled methanol, containing SP:SAMPLEPREP_SUMMARY 13.3 μM of MetS and CSA, was added to each cell culture dish. Cells were SP:SAMPLEPREP_SUMMARY harvested using a cell scraper, and transferred into a 5 mL tube. Then, 1 mL of SP:SAMPLEPREP_SUMMARY chloroform was added and vortexed for 5 min, followed by 400 μL of Milli-Q SP:SAMPLEPREP_SUMMARY water and 10 min of vortexing. After 5 min of standing, the mixture was SP:SAMPLEPREP_SUMMARY centrifuged to form a two-phase system (10,000 g, 4 °C, 15 min). The upper SP:SAMPLEPREP_SUMMARY layer was transferred and centrifugally filtered through a Millipore 5-kDa SP:SAMPLEPREP_SUMMARY cutoff filter (USA) (13,000 g, 3h at 4°C). The filtrate was dried and stored at SP:SAMPLEPREP_SUMMARY -80 °C. Finally, the upper extract was dissolved in Milli-Q water containing 50 SP:SAMPLEPREP_SUMMARY μM of 3-AP, DPA, DHD and TMA for capillary electrophoresis-time of flight mass SP:SAMPLEPREP_SUMMARY spectrometry (CE-TOF/MS) analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE CE CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME a fused silica capillary (50 µm i.d. × 80 cm) CH:FLOW_RATE internal pressure of 15 mbar and positive voltage of 30 kV CH:COLUMN_TEMPERATURE 20 CH:SOLVENT_A solution of 25 mM ammonium acetate and 75 mM diammonium hydrogen phosphate (pH CH:SOLVENT_A 8.5) CH:INJECTION_TEMPERATURE 20 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6224 TOF MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS capillary voltage of 3.5 kV, fragmentor of 125 V and mass range of 50-1,000 were MS:MS_COMMENTS set in the TOF/MS analysis. During sample analysis, reference masses were MS:MS_COMMENTS applied to ensure the real-time calibration of exact mass measurement. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Relative intensity after normalization MS_METABOLITE_DATA_START Samples 12RWPE1_0-1 12RWPE1_0-2 12RWPE1_0-3 12RWPE1_0-4 13RWPE1_0.25-2 13RWPE1_0.25-3 13RWPE1_0.25-4 13RWPE1_4-2 13RWPE1_4-3 13RWPE1_4-4 13RWPE1_12-1 13RWPE1_12-2 13RWPE1_12-3 13RWPE1_12-4 13RWPE1_24-1 13RWPE1_24-2 13RWPE1_24-3 13RWPE1_24-4 13RWPE1_P3-1 13RWPE1_P3-2 13RWPE1_P3-3 13RWPE1_P3-4 12VCaP_0-1 12VCaP_0-2 12VCaP_0-3 12VCaP_0-4 13VCaP_0.25-1 13VCaP_0.25-2 13VCaP_0.25-3 13VCaP_0.25-4 13VCaP_4-1 13VCaP_4-2 13VCaP_4-3 13VCaP_4-4 13VCaP_12-1 13VCaP_12-2 13VCaP_12-3 13VCaP_12-4 13VCaP_24-1 13VCaP_24-2 13VCaP_24-3 13VCaP_24-4 13VCaP_P3-1 13VCaP_P3-2 13VCaP_P3-3 13VCaP_P3-4 Factors Cell lines:RWPE1 | Time points:0h Cell lines:RWPE1 | Time points:0h Cell lines:RWPE1 | Time points:0h Cell lines:RWPE1 | Time points:0h Cell lines:RWPE1 | Time points:0.25h Cell lines:RWPE1 | Time points:0.25h Cell lines:RWPE1 | Time points:0.25h Cell lines:RWPE1 | Time points:4h Cell lines:RWPE1 | Time points:4h Cell lines:RWPE1 | Time points:4h Cell lines:RWPE1 | Time points:12h Cell lines:RWPE1 | Time points:12h Cell lines:RWPE1 | Time points:12h Cell lines:RWPE1 | Time points:12h Cell lines:RWPE1 | Time points:24h Cell lines:RWPE1 | Time points:24h Cell lines:RWPE1 | Time points:24h Cell lines:RWPE1 | Time points:24h Cell lines:RWPE1 | Time points:6days Cell lines:RWPE1 | Time points:6days Cell lines:RWPE1 | Time points:6days Cell lines:RWPE1 | Time points:6days Cell lines:VCaP | Time points:0h Cell lines:VCaP | Time points:0h Cell lines:VCaP | Time points:0h Cell lines:VCaP | Time points:0h Cell lines:VCaP | Time points:0.25h Cell lines:VCaP | Time points:0.25h Cell lines:VCaP | Time points:0.25h Cell lines:VCaP | Time points:0.25h Cell lines:VCaP | Time points:4h Cell lines:VCaP | Time points:4h Cell lines:VCaP | Time points:4h Cell lines:VCaP | Time points:4h Cell lines:VCaP | Time points:12h Cell lines:VCaP | Time points:12h Cell lines:VCaP | Time points:12h Cell lines:VCaP | Time points:12h Cell lines:VCaP | Time points:24h Cell lines:VCaP | Time points:24h Cell lines:VCaP | Time points:24h Cell lines:VCaP | Time points:24h Cell lines:VCaP | Time points:6days Cell lines:VCaP | Time points:6days Cell lines:VCaP | Time points:6days Cell lines:VCaP | Time points:6days NAD+_M+0 177757.9966 154028.3395 175961.578 168590.6567 127303.2535 120908.1217 125449.6097 113849.4788 102363.0159 108006.6867 42056.13217 46326.66833 58735.11159 54473.44409 23594.86297 12800.64834 12512.3859 18239.06548 0 0 0 1927.633581 396593.0302 319984.7454 350087.5342 336529.1054 345071.8757 312043.7485 295414.9973 312075.4972 286354.5338 237941.8638 214341.4859 221211.9056 77197.08689 89876.61467 93617.73622 83510.79883 25788.22467 24585.66665 20428.22726 20720.24091 0 0 0 0 NAD+_M+1 45680.65701 40895.97771 47576.66277 46208.92751 33438.36016 30934.69906 33360.98401 31154.30417 25887.53612 28870.73826 12656.26548 12224.81224 16552.3536 13645.38042 7443.668516 4869.317149 3262.850896 4866.689296 0 0 0 0 103683.0046 83934.67538 89915.51859 84690.53183 87054.43981 80143.44784 75364.91586 81308.52972 73571.22041 61018.34617 55567.46834 57499.05682 22187.66377 24068.83221 22875.21222 23742.66896 6399.193165 7479.15672 4262.858399 5615.859484 0 0 0 0 NAD+_M+2 11873.82718 9582.908183 11968.06187 10372.87124 6126.021036 6423.315972 7468.387503 8782.479334 8514.539317 10150.709 5707.147204 6079.706393 8228.979019 8399.620983 5037.693566 3244.04096 3647.068891 4832.074717 0 0 0 0 23940.82504 19762.47481 23468.31395 20056.55735 22764.01693 17721.35591 17901.35037 18817.76994 26995.17611 18615.12735 17132.13933 18419.99561 10832.30703 13233.57528 14297.19327 11071.27466 5189.75615 6490.15869 5827.386134 5179.410096 0 0 0 0 NAD+_M+3 0 0 0 0 1302.618814 0 0 5404.053753 4681.837637 4847.488134 5230.731865 4902.750947 6986.539423 3732.862601 7140.40908 4639.455152 3897.567496 4955.849128 0 0 0 0 2710.770613 1634.625901 3417.279105 3505.581896 3656.18517 3876.177676 3722.420849 3682.257312 16845.67712 11857.5661 12070.57377 10731.64307 8698.14194 8903.845254 12596.79582 8847.355369 6414.560303 6625.052571 6095.921312 4536.03552 0 0 0 0 NAD+_M+4 0 0 0 0 0 0 0 0 1996.63087 0 0 4026.601812 5144.345499 0 5109.108162 4088.945395 0 3544.667818 0 0 0 0 0 0 0 0 0 0 0 0 0 6125.396302 6275.649408 7333.023637 10360.46846 0 9698.083287 9500.455424 3894.043218 0 6742.18685 7544.869698 0 0 0 0 NAD+_M+5 0 0 0 0 0 0 0 41002.69552 37551.3041 42441.02503 57702.07046 58500.37342 82483.8256 77710.95416 90988.10652 57500.13822 48411.0822 67216.37196 0 0 0 0 0 0 0 0 3468.428615 1476.854608 3503.164794 4670.941668 158571.4716 127819.8867 114282.443 116291.1997 132972.4082 158059.6238 164137.398 153945.3581 129008.5185 114439.2848 98887.80824 104539.0194 0 0 0 0 NAD+_M+6 0 0 0 0 0 0 0 9557.665894 7214.347791 9107.376689 12302.49363 11952.26064 19558.11479 17060.9272 22495.66148 14225.7512 13382.11268 16345.82241 0 0 0 0 0 0 0 0 0 0 0 0 31950.59395 27914.00047 20819.13412 26271.85892 30615.90929 36469.75429 39496.69428 36974.85995 37817.72853 34967.42287 29549.25779 29159.35755 0 0 0 0 NAD+_M+7 0 0 0 0 0 0 0 2282.835896 3051.8024 2263.028812 7416.7501 8771.02997 11916.46298 11216.38697 24800.17082 17654.8079 15125.94101 21651.46485 0 0 0 0 0 0 0 0 0 0 0 0 12178.38283 9922.911855 7290.838796 9685.665894 18245.87378 21428.32015 21104.97906 21534.11017 32026.40819 31466.50575 25861.25557 25818.61536 0 0 0 0 NAD+_M+8 0 0 0 0 0 0 0 1170.66429 0 1629.016881 7113.866889 7453.901744 9561.601335 10596.67668 26640.97638 17953.52623 16369.62522 21775.32792 0 0 0 0 0 0 0 0 0 0 0 0 6881.678695 5512.578274 4013.791721 4904.289289 16254.16915 19412.62354 21747.66064 17052.97111 35405.11426 35445.92041 29489.18097 27170.62859 0 0 0 0 NAD+_M+9 0 0 0 0 0 0 0 0 0 0 5158.229896 5821.821264 6932.333705 7753.785554 21056.4531 17805.47598 13742.56386 19029.66457 5986.18933 9713.980373 9276.987027 5589.48472 0 0 0 0 0 0 0 0 4763.593283 3645.366183 4074.855458 3342.236305 13979.7699 18507.48064 18749.22863 16203.72955 40531.61861 37124.43503 32354.51956 27594.40644 15431.26984 12718.29895 12205.43897 15714.96982 NAD+_M+10 0 0 0 0 0 0 0 9767.80313 7679.436478 11156.12505 42825.26246 46065.70573 63629.42943 63204.14083 163981.0306 114836.0139 96743.46716 130907.7021 135020.8354 131337.9653 124931.7436 91633.09995 0 0 0 0 0 0 0 0 46267.09733 33958.40596 31390.77495 33241.48448 108056.0699 128957.8841 131521.9318 126104.7875 282621.0179 247212.7321 203878.2723 213292.5115 224080.1666 206739.0819 226294.1168 236873.6653 NAD+_M+11 0 0 0 0 0 0 0 0 0 0 8759.594668 10619.39791 12203.80164 11969.5078 36767.50889 26097.43804 21408.14347 30596.23641 34731.76476 32903.37887 32860.83586 22811.672 0 0 0 0 0 0 0 0 10323.06991 8466.935685 5964.976056 6050.995424 25298.96358 31684.19621 33504.61597 29826.43253 104113.3571 87977.50165 69726.96809 71209.3773 93991.48976 83341.02171 92698.15188 101196.2185 NAD+_M+12 0 0 0 0 0 0 0 0 0 0 2052.29031 1651.978018 1954.39501 2845.929335 8409.556618 6102.2307 6260.873837 6783.155091 9089.983102 10169.81222 8800.895203 3678.919189 0 0 0 0 0 0 0 0 1929.901106 0 0 0 5730.776029 6423.191507 11153.07323 6158.883159 35684.033 28766.13832 22165.17405 22409.65981 34076.95807 31259.28125 33521.02847 33552.77557 NAD+_M+13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1381.324775 0 2237.584001 0 0 0 0 0 0 0 0 0 0 0 0 0 1390.698427 0 2292.649617 0 7550.036071 7912.375765 5432.347743 3378.203639 6214.41597 6123.375593 7166.710533 10095.58438 NAD+_M+14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2472.847648 0 0 0 0 0 0 0 NAD+_M+15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+_M+16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+_M+17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+_M+18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+_M+19 0 0 0 0 0 0 0 2865.02934 5342.484425 0 0 0 9478.529919 0 0 0 0 0 3118.608605 0 5797.314252 0 0 3121.775655 0 0 0 0 0 0 0 2873.983937 0 3121.900074 0 0 0 0 0 0 0 3374.511466 0 2670.858635 0 0 NAD+_M+20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+_M+21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+3 0 0 0 0 0 0 0 0 0 4052.660808 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 577.6079424 0 0 Nicotinamide hypoxanthine dinucleotide_M+19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3009.310741 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Nicotinamide hypoxanthine dinucleotide_M+21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline_M+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1442.252643 0 0 CDP-choline_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline_M+11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline_M+12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline_M+13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP-choline_M+14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylneuraminic acid_M+0 1547.187151 4003.726578 4297.636777 8975.227546 11998.11403 11987.23495 9263.241357 5820.071582 5922.063688 5612.813978 2856.238692 3226.35774 4820.133036 4086.809854 4022.654889 2603.238451 2459.017428 3251.508222 0 1734.923833 1412.609239 0 62546.28328 46365.12135 53329.53264 53250.11695 52318.91556 50878.41734 46364.99027 44152.88206 75611.56311 58309.29006 51645.59799 52392.23858 36973.95117 41876.76528 47848.34846 44363.63115 52932.26334 45881.28526 39686.48754 40378.11427 8722.034992 8588.39058 8179.255221 7093.038884 N-Acetylneuraminic acid_M+1 0 0 0 2115.396549 0 1474.028209 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9222.487715 6513.131914 6173.762571 7387.134404 7185.737741 6595.743608 5464.711029 6305.723138 9785.540598 7776.403345 7420.348284 8342.343774 5407.711645 6135.769215 5455.301317 6675.554061 8067.293555 6736.218944 4568.985477 4590.505646 0 0 0 0 N-Acetylneuraminic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1340.591653 0 1859.488137 1833.809265 0 1545.411084 0 0 2416.86085 2364.275074 0 1521.113348 0 0 0 1938.285026 0 0 0 0 0 0 0 0 N-Acetylneuraminic acid_M+3 0 0 0 0 1821.357768 1994.106999 1864.010261 1658.154907 2299.20335 1977.28095 0 0 2201.956375 0 0 0 0 0 0 0 0 0 0 0 0 0 2138.016347 2436.219186 2074.917867 1829.384226 8995.847952 5969.484561 5156.945721 7893.758939 6960.340329 7805.887613 8386.425433 8085.523557 13850.15112 11833.42132 11264.01144 9595.920156 0 0 0 0 N-Acetylneuraminic acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1314.874721 1377.119118 0 0 0 0 0 N-Acetylneuraminic acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylneuraminic acid_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1856.306011 0 0 0 0 0 0 0 N-Acetylneuraminic acid_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylneuraminic acid_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1649.955475 0 1362.358773 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2664.178876 2727.945524 2558.433214 1971.648434 0 0 0 0 N-Acetylneuraminic acid_M+9 0 0 0 0 0 0 0 3259.117724 3742.544525 3235.998686 2385.737974 3357.607422 4874.425304 4244.819904 5081.254367 3754.118462 4045.292303 3589.516205 7512.041293 8688.900981 7236.52935 6213.003688 0 0 0 0 0 0 0 0 3448.121883 0 0 1865.845258 3658.45303 4769.10005 5840.585361 5666.518965 16717.70238 12518.08954 10902.27763 11871.14361 16414.31197 17724.40252 15004.72308 16907.86339 N-Acetylneuraminic acid_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2453.690626 2071.337481 0 1778.331786 1852.525605 2539.974716 1670.544701 1695.76976 N-Acetylneuraminic acid_M+11 0 0 0 0 0 0 0 1470.974228 1860.03554 0 3055.282271 3420.520275 5405.286316 4722.511629 7268.872973 4652.87401 3614.448245 4504.459818 5993.758135 6859.940208 7179.625952 3816.114802 0 0 0 0 0 0 0 0 0 0 0 0 0 2383.501299 2840.39142 2717.590704 13864.72657 9444.401931 8774.875906 8126.544418 11627.34068 11374.57415 12774.10244 12331.90724 N-Acetylmuramic acid_M+0 3627.831298 3188.561858 2818.298562 3090.746979 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2617.65352 6856.741628 8030.50858 7254.367241 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-Acetylmuramic acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylmuramic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylmuramic acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylmuramic acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylmuramic acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylmuramic acid_M+6 0 0 0 0 0 0 2280.617981 0 0 0 0 2477.742176 3097.915678 1683.953393 0 0 0 0 0 0 0 0 0 0 0 0 0 5670.672617 3738.380287 3241.845621 0 4844.307034 4933.418124 0 4053.659429 5238.387381 4183.03346 3266.102275 4668.859662 4055.538786 4433.792603 4389.920649 0 1766.018916 2063.862027 0 N-Acetylmuramic acid_M+7 0 0 0 0 0 0 0 1905.928411 0 0 0 0 1544.053701 1759.353518 1150.196108 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1556.484805 0 0 0 0 1205.168014 0 0 0 0 0 0 0 0 1450.183158 0 0 N-Acetylmuramic acid_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylmuramic acid_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylmuramic acid_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylmuramic acid_M+11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cAMP_M+0 0 0 0 0 0 0 1451.183087 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 24389.07717 22787.59655 30217.67183 41291.13084 26046.85345 23780.13819 30675.03734 29677.64691 8160.890946 19751.16923 12309.8943 13174.91363 10208.10713 10179.10589 11965.78984 12543.1951 6800.504054 5139.420143 3030.915433 2611.884971 0 0 0 0 cAMP_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3251.210619 3857.398672 0 4683.006676 1816.750847 3424.809438 0 0 0 0 1608.702712 0 0 0 0 0 0 0 0 0 cAMP_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3130.803592 0 0 2662.692401 0 0 0 3008.924597 3152.400619 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cAMP_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cAMP_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cAMP_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2684.924548 4186.246096 0 0 0 0 0 0 0 0 0 14291.81315 13157.31814 7947.271145 7964.240071 18313.30931 17765.68288 18240.78885 21172.26349 26265.60982 17667.42574 10681.74665 14499.50906 8626.938814 7607.007772 7791.588852 7502.118971 cAMP_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2983.468111 3387.723 4060.87414 4698.420742 9243.650384 5853.781988 2719.277685 3917.388594 2060.830301 2552.41776 2625.753878 2436.229331 cAMP_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2319.801195 0 0 0 0 0 0 0 cAMP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cAMP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cAMP_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pantothenic acid_M+0 17732.22232 15646.95846 16527.47947 16655.62186 10402.82232 11862.2663 9127.284083 18537.95351 12493.46018 14498.57634 16107.15949 15165.98744 22065.55137 16673.36459 20024.23451 15423.88391 12468.5795 16592.62454 8179.777773 7819.462424 8183.474859 6752.618376 18636.81392 17731.00696 20172.15882 19788.48072 22705.72392 21865.73037 19697.22648 22324.18375 27793.95828 23896.79141 22304.446 18328.32141 11211.75968 15990.18005 17186.0704 13427.22335 20210.72225 19479.98168 16215.20042 14351.58256 18862.50237 19663.02681 19287.7909 18271.24575 Pantothenic acid_M+1 2188.970338 1722.828244 0 1717.189838 0 0 0 0 0 1582.971398 2354.312105 2035.391642 3335.896015 3493.125917 2348.367675 0 0 0 0 0 0 0 2728.065322 0 3206.060395 2631.662416 2849.668891 1976.895282 1922.230471 2264.773687 1813.103725 0 0 0 0 0 0 1665.076164 2305.0644 0 0 0 2222.099744 0 2628.944594 0 Pantothenic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pantothenic acid_M+3 0 0 0 0 0 0 0 0 0 0 3115.258245 2730.414181 5903.465627 4653.919715 0 4708.868238 2996.002638 6345.498187 0 0 0 1423.90689 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pantothenic acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pantothenic acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pantothenic acid_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pantothenic acid_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pantothenic acid_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pantothenic acid_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cGMP_M+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2961.893976 0 1505.209326 0 0 0 0 0 0 1214.270228 0 1913.045966 0 0 3691.708874 0 0 0 0 0 0 0 2875.174913 1966.375776 2107.984861 3664.202793 6773.967823 0 0 0 cGMP_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 2301.431538 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cGMP_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cGMP_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cGMP_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cGMP_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cGMP_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cGMP_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cGMP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cGMP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 cGMP_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Lauric acid_M+0 82938.42439 63277.88518 69305.37947 58446.96033 32924.51938 57246.27791 49783.24494 48540.51416 40922.89933 50253.60025 64399.34353 57323.44922 79170.72846 65763.87318 42368.02608 49759.16685 65281.50878 43420.48079 38991.88829 44222.81506 39934.3798 46217.00716 85779.75563 95025.33355 105634.3261 80797.69519 0 127153.334 97503.62774 154130.1889 0 110190.9779 84458.14365 0 98043.64282 79572.50563 100797.3519 122487.8142 256010.128 76572.02403 132327.3921 252734.9329 104921.3641 80604.57669 88151.14943 78286.85152 Lauric acid_M+1 10797.47806 7219.272897 8736.806187 7448.264938 3668.170301 8265.236513 6850.379855 7256.373201 5421.031382 5697.566543 7865.433097 6754.929513 10398.83558 9156.806616 6555.373612 6725.986579 8362.081518 7474.872679 5349.598412 6589.662458 5203.286044 6281.566341 11718.02042 12063.78561 15388.31276 11500.23532 0 16956.64822 13272.07795 21510.17901 0 15572.27169 11951.02344 0 12867.67185 10700.34374 12819.74049 15966.4644 33232.26956 11610.56082 18368.55202 36285.89107 15516.31613 12031.0963 13119.41204 11761.77117 Lauric acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1893.37313 0 0 0 0 0 0 0 0 3390.628136 0 0 2535.142405 0 0 0 0 Lauric acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Lauric acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Lauric acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Lauric acid_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Lauric acid_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Lauric acid_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Lauric acid_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Lauric acid_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Lauric acid_M+11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Lauric acid_M+12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Biotin_M+0 62963.88825 40842.64827 58388.77732 52067.01908 36787.50764 34216.27167 19756.5022 49464.44636 37190.79532 43424.07679 60718.16593 56014.55308 85339.36659 73729.14247 92586.40063 57364.20543 55174.86294 71302.69782 52430.51232 44744.04003 49570.43927 41847.33958 56837.47572 40659.54652 50300.25566 46948.74118 42255.64563 44515.44444 39885.39801 42313.83249 77398.66084 60345.63625 57134.82326 67751.9973 49670.56404 66947.18717 68329.25528 65414.82973 80158.77232 60144.52055 61662.23558 46045.7751 45158.57511 46236.56754 43650.44091 47463.42083 Biotin_M+1 0 0 9846.234817 16598.11551 8330.79916 7505.472733 4927.036007 0 5842.812432 7777.445283 8531.130876 0 2209.569976 16438.27531 9742.261141 0 12682.24871 9644.917317 14447.5117 11482.39198 7559.558196 0 7852.600283 0 0 1652.918541 2615.255931 0 0 0 3203.806434 0 0 6652.08637 0 3951.137656 5113.158748 4369.83011 0 5222.64703 2940.478098 0 6008.952601 6668.473849 0 5262.46286 Biotin_M+2 0 0 3173.203649 0 2813.59916 0 0 0 0 0 0 0 0 5001.40924 0 0 0 0 0 0 0 0 0 0 2670.073242 0 0 0 0 0 0 0 0 0 0 1509.715658 0 2159.414784 0 3564.853192 0 0 0 0 0 0 Biotin_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Biotin_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Biotin_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Biotin_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2109.087237 0 0 0 0 0 0 0 0 0 0 0 0 0 Biotin_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1494.805395 0 0 1340.526809 0 0 0 0 0 0 0 0 0 0 0 0 Biotin_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1376.860247 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Biotin_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Biotin_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+0 2893.000548 3110.273998 2913.441197 2415.120745 2164.634975 3123.115586 2692.35899 4041.086059 2584.897405 2483.155788 1403.481349 1540.483374 3105.498409 1994.517356 2251.19133 2156.640647 0 1323.644607 0 0 0 0 13797.89851 12406.40686 11853.9035 12646.40518 11992.04846 10832.75334 11760.23469 12290.09836 15294.63557 13833.91218 12560.31308 10103.25753 6662.436692 9366.828089 9552.864893 8432.658032 5275.583456 5459.194988 5180.890998 4082.625783 0 0 0 0 FAD_divalent_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2238.273723 0 0 0 0 0 0 0 1653.546679 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1357.938901 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2010.072004 2437.851714 2414.39392 1968.553271 4138.875513 5171.107779 4476.629397 5068.701194 4678.182521 3435.011095 3990.336096 5403.572106 FAD_divalent_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1408.046471 0 0 0 0 0 0 1318.858207 0 0 0 0 0 0 0 0 0 FAD_divalent_M+14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+22 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+24 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+25 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+26 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 FAD_divalent_M+27 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Decanoic acid_M+0 22765.7144 20656.9613 16843.32057 20028.93334 6862.939789 11630.39601 13467.15647 10898.83794 9390.155253 9270.754353 17422.34015 16881.79057 24641.91309 0 14550.41644 11443.0934 20979.82077 14094.99401 10341.23043 12375.93536 10259.61725 11275.00253 23210.28299 29954.85248 28821.49971 0 16471.63985 23990.87494 17109.89317 18723.7649 21632.05421 20894.75968 14026.87646 13743.41692 18345.03592 16039.32567 20449.86662 16640.74085 16927.68085 23454.7586 16470.69737 15626.21046 0 25706.80826 20300.79593 20663.08987 Decanoic acid_M+1 2410.935902 2039.201855 0 2918.760102 0 0 0 0 0 0 1816.114441 1982.117514 2565.614283 2356.702636 0 0 1943.923684 0 0 0 0 0 0 3448.801225 3437.901264 1535.954446 1331.378468 1966.099372 1720.953323 2207.007491 2498.314433 1553.224887 2026.829055 2075.250722 1677.09764 0 2590.978381 1653.535675 1665.748783 0 1694.66189 2182.886606 2012.504561 3190.895501 2441.496817 2875.519959 Decanoic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Decanoic acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Decanoic acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Decanoic acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Decanoic acid_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Decanoic acid_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Decanoic acid_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Decanoic acid_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Decanoic acid_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ethanolamine phosphate_M+0 3597.909175 0 3610.524334 3488.328896 2268.133629 2253.798249 2168.897306 3602.598589 3510.750636 3090.653801 4022.088631 2881.623496 4204.583042 3928.755445 5285.528089 4051.194888 3644.472173 4021.921111 3489.65624 4412.874225 4316.762747 3385.83351 3397.325645 3679.850104 4474.206331 4606.224695 4045.010659 4785.529115 4136.476475 4399.972423 5014.993484 5577.257587 3531.009815 3464.504966 3166.572646 3956.644466 5011.332403 5095.292833 7156.253134 5257.20888 5388.086666 5381.49921 4598.718444 5322.410499 4144.205689 4773.810485 Ethanolamine phosphate_M+1 235884.682 213057.9217 195217.3071 208699.8941 283988.5927 304627.3677 174956.2176 0 310005.2581 0 194809.8149 272783.2818 323276.8756 266050.7138 280589.2538 380021.0968 353563.0342 249644.0349 281485.037 181055.7669 176076.1998 0 276688.0293 279855.2614 295400.0852 309322.5375 288051.5524 318684.2382 287780.5568 295475.1151 464028.4243 324196.9647 292083.5853 0 339095.0691 0 0 346254.0227 307103.458 284311.1624 321529.2511 324981.0129 304073.6311 264937.8206 242362.9054 210180.1251 Ethanolamine phosphate_M+2 0 0 0 0 0 0 0 0 0 0 0 0 18321.31851 13391.95119 0 0 0 0 0 0 0 0 0 0 11293.33094 0 0 0 0 9159.612311 0 8381.936869 12402.98353 0 0 18828.96001 0 0 16060.93668 0 16648.24096 23024.52915 16505.64062 10176.20156 0 0 Glucuronic acid_M+0 3963.358216 2711.100201 3290.197354 3908.306291 1863.755974 1597.528645 2964.277349 2567.532528 2629.313185 2336.257772 1932.129828 0 0 2437.041851 0 0 0 1902.225941 0 0 0 0 2366.5402 3024.457368 3587.760064 2166.526849 3431.260074 2995.313214 2513.484429 2702.954307 4994.029185 3141.623685 3016.904457 3612.299683 0 1839.195812 0 1876.062663 0 0 0 0 0 0 0 0 Glucuronic acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucuronic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 36595.16633 0 0 0 0 0 0 0 0 0 0 0 0 0 4545.918845 0 0 3815.182924 0 0 0 0 0 0 0 0 0 0 0 0 Glucuronic acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucuronic acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucuronic acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucuronic acid_M+6 0 0 0 0 0 0 0 0 0 0 1843.191716 1817.835263 2878.00197 2529.050829 5029.623719 2251.57599 0 3571.677244 2438.111682 3081.026171 3350.802811 2452.85571 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3379.24356 3307.312679 2273.011042 2652.904993 2305.061197 0 0 0 CMP-N-acetylneuraminate_M+0 37726.00672 28628.43409 18078.98675 66441.15895 38563.40133 42902.01369 60808.64651 5928.425574 16950.95288 26276.82722 1974.266908 1229.058144 1534.8698 2874.231499 0 0 2004.349999 0 0 0 0 0 265028.4539 349665.2193 302134.5423 284662.2521 37711.8643 204346.0843 117389.1224 127599.6013 23991.04151 1720.461123 12283.25931 15251.6369 1766.37832 1324.640618 4361.49118 0 0 2284.246037 0 1327.70085 0 0 1876.488701 0 CMP-N-acetylneuraminate_M+1 23873.14413 6479.269084 23017.01628 19735.92273 9480.743632 11364.27269 13782.4296 3509.994933 6881.054448 8086.266588 1680.916618 2218.305021 0 2988.417969 0 0 0 0 0 0 0 0 73150.14141 81727.15913 78081.46322 64221.56288 11004.08191 46898.58995 30654.78494 37778.9275 6087.627909 25888.0905 6890.774358 4652.103105 0 0 0 1655.783535 0 1549.479042 1204.128093 0 0 0 0 0 CMP-N-acetylneuraminate_M+2 2990.47491 4895.211658 6881.244039 3772.967297 0 0 0 0 2499.992919 5568.7246 4243.633564 3271.274756 0 3524.929376 1220.528648 5856.057457 0 1610.58404 3082.168893 1853.617277 0 1589.156096 21518.24691 24487.1721 15786.32833 14255.74095 0 11212.77288 6797.661172 10681.95708 0 19118.5245 17830.81692 2425.111582 20979.33318 10023.82953 11171.6047 14027.73152 0 0 0 0 0 5747.943898 2476.754597 0 CMP-N-acetylneuraminate_M+3 0 0 0 0 0 0 0 2417.196806 3205.757469 3897.730413 6468.905911 3895.556654 4057.389943 11180.42473 0 3416.609355 0 0 0 1893.286604 0 3241.515647 0 2266.973278 1520.188403 0 1528.976149 0 0 0 10450.30452 17566.21915 11264.41319 6380.856745 15004.75206 22132.1358 11294.18539 14878.0622 4008.962562 4836.589038 6526.727184 1441.466025 1404.714655 2735.825733 1162.688169 0 CMP-N-acetylneuraminate_M+4 0 0 0 0 0 0 0 0 0 0 4624.096562 5076.362456 1851.415751 5547.987526 7498.47986 3205.255641 2335.454352 3373.9312 1776.856956 4519.906128 1262.716696 1420.733515 0 0 0 0 0 0 0 0 2001.080234 4889.794827 1895.87271 0 3611.058326 2487.701846 2559.506429 0 1475.629164 6412.042911 1967.352807 17154.17551 0 1149.523764 5211.730817 4786.662518 CMP-N-acetylneuraminate_M+5 0 0 0 0 0 0 0 0 2086.95386 1852.235353 2563.653427 2707.207171 5755.02867 5416.099272 8295.074933 4117.393891 1523.750464 3544.63221 0 0 3470.335675 0 0 0 0 0 0 0 0 0 1960.27738 3491.564701 1848.977003 0 4860.275463 7127.342106 5627.411478 6666.799284 10644.85624 2791.53584 8033.900435 6457.821038 1714.927823 3528.604737 6009.79048 1768.464951 CMP-N-acetylneuraminate_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2162.165834 1394.918179 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1681.13279 0 0 6565.436606 7172.724128 3824.752261 4498.590701 2519.201627 5101.87648 3589.919572 6508.398698 CMP-N-acetylneuraminate_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4438.933552 2407.799093 0 0 0 0 0 0 CMP-N-acetylneuraminate_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2344.440471 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2281.729725 0 0 0 2970.838813 2539.483996 4092.013907 4367.416823 6001.4299 5880.386634 4044.243694 5632.485309 0 0 0 0 CMP-N-acetylneuraminate_M+9 0 0 0 0 0 0 0 5007.056224 3730.891071 3938.571133 2236.81948 1720.805361 2526.077776 0 2778.970798 1997.94101 0 1932.05554 0 0 0 0 0 0 0 0 0 0 0 0 2835.323499 3266.628569 3011.888435 2925.133554 3771.324221 5957.484825 4765.235775 4944.755074 0 4521.93191 4110.262709 2733.354279 0 0 0 0 CMP-N-acetylneuraminate_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2005.121964 0 0 0 0 0 0 0 CMP-N-acetylneuraminate_M+11 0 0 0 0 0 0 0 2532.602929 1428.047214 1946.228755 1887.380678 2364.004599 4099.628554 3871.322145 3464.09684 0 2155.402068 3546.977236 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2116.530161 3561.335925 3914.799968 3408.403412 5363.250182 1637.67518 3665.097804 2845.322849 0 0 0 0 CMP-N-acetylneuraminate_M+12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CMP-N-acetylneuraminate_M+13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1790.40017 1806.096575 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2512.888219 0 0 0 0 0 0 0 CMP-N-acetylneuraminate_M+14 0 0 0 0 0 0 0 0 0 0 3239.143707 1926.497566 2893.607217 4370.763523 6183.599547 3646.229248 4061.101797 4908.762904 4193.615183 3303.604992 4915.710393 3024.934442 0 0 0 0 0 0 0 0 0 0 0 0 2374.572561 3368.659179 3163.690794 4209.49946 11787.73871 8216.186639 7416.495099 5899.110744 9380.628201 11994.51088 11902.12418 10731.01046 CMP-N-acetylneuraminate_M+15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1877.616595 0 0 1456.782909 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2691.070588 0 0 2503.799484 2654.984871 3558.403166 2303.305064 0 CMP-N-acetylneuraminate_M+16 0 0 0 0 0 0 0 0 0 0 3593.59199 2221.091942 4005.954792 6108.373675 10429.9192 6355.413483 5271.353843 7628.800322 5606.507448 5758.666667 4926.456707 2831.971887 0 0 0 0 0 0 0 0 0 0 0 0 0 2041.583187 0 0 11644.26858 7072.706645 8541.490881 1683.288104 9506.964394 9371.531684 10214.17052 11369.20869 CMP-N-acetylneuraminate_M+17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1790.600867 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CMP-N-acetylneuraminate_M+18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CMP-N-acetylneuraminate_M+19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CMP-N-acetylneuraminate_M+20 0 0 0 0 0 0 0 1273.532071 0 0 0 2198.035203 0 1130.395399 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1156.298431 0 0 0 1676.285256 0 0 1169.027091 1221.644497 0 0 0 0 2339.232486 Pelargonic acid_M+0 48983.27399 41603.00271 39836.27406 42579.60425 14980.34166 18534.91075 30560.30737 17290.9339 16285.58177 16732.53467 35933.71564 34761.01362 53777.11675 29355.42321 24971.0319 20144.58164 42441.93248 26284.17193 22486.09844 21344.32846 18194.29051 14517.20585 37244.21188 55994.66196 50664.53762 41620.54913 31946.87944 38654.0437 29943.49145 28313.23195 41721.69829 28632.97955 25796.29096 28088.26456 26586.23083 23248.46203 28584.89328 23700.07383 21611.18668 41816.79444 19974.29003 22624.31251 30495.39067 47620.58391 43851.00325 39521.16273 Pelargonic acid_M+1 5129.86772 3915.629272 4360.471895 3845.53965 1567.782666 1598.880006 3046.578819 1505.163895 0 1607.845232 3355.105003 3645.164063 5368.160475 3450.215386 2511.976135 2552.887571 4913.186479 2288.041623 2190.182893 1745.460217 1415.752161 0 2903.910067 5539.493957 4550.158155 4140.17145 3293.718557 3882.864199 3884.067726 3154.112362 4843.068234 3650.474629 2449.239426 3905.541894 3147.207518 2253.211605 3017.602921 2952.736006 2486.559261 4400.681554 2326.110819 2538.999442 3493.998542 5486.450828 5205.945261 4953.833143 Pelargonic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pelargonic acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pelargonic acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pelargonic acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pelargonic acid_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pelargonic acid_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pelargonic acid_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pelargonic acid_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Gluconic acid_M+0 56049.51407 47832.48195 54268.01679 45255.58871 22897.39484 18205.12319 20523.80996 38976.28803 26596.41758 35326.27775 47461.34401 44837.43602 68800.47505 59013.7624 67515.18911 41052.28465 36790.83561 55728.49739 7436.59863 0 21852.03605 11848.55692 52437.94155 66001.60064 64966.87083 59041.20014 35362.77897 48923.08781 37457.08317 47577.4953 40053.14998 50678.63788 47538.53582 28406.24118 39268.5335 44043.76585 50110.48966 40177.56096 51140.77673 59283.32842 51777.76633 45670.52375 15616.12448 14887.24464 13078.6197 19750.49852 Gluconic acid_M+1 4405.273614 4538.334599 4586.555995 3651.605502 0 0 0 3694.6569 0 2922.649957 3601.96078 4121.953595 5389.826639 4624.392802 5095.228161 3168.012112 0 4164.649763 0 0 0 0 5113.024515 4704.798629 4313.151159 4236.378749 2124.863528 3795.504451 3213.274087 3116.779273 0 4525.304144 3097.33577 0 3568.839184 3712.402177 4433.218021 3318.490481 4265.723602 4359.073307 3596.168789 3406.372061 0 0 0 0 Gluconic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Gluconic acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Gluconic acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Gluconic acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5233.944982 0 0 2886.010087 0 0 0 2017.323003 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4439.056501 0 2867.348477 0 0 0 0 0 Gluconic acid_M+6 0 0 0 0 0 0 0 4461.795812 3733.810011 7292.375622 26557.57288 25724.04813 42266.53005 33767.81892 85460.96825 38720.64395 35473.97144 58125.54007 38326.88243 39125.09605 37607.30366 30857.73916 0 0 0 0 0 0 0 0 10876.45234 12663.27145 9211.250837 7466.000027 6894.754609 18006.845 8979.948826 18483.25125 70753.7081 60005.11068 53586.75379 46642.67798 27513.0002 34043.67275 33471.59261 40669.96901 N-Acetylmethionine_M+0 6884.49624 6149.634604 7189.453399 6789.159665 4584.554641 3361.678942 3194.75569 6643.913163 5072.06785 5835.06082 6356.45758 6090.708639 9435.716298 6877.655171 12269.76007 6676.479767 5340.875753 8782.336496 0 2297.84579 2700.950819 2024.088474 17248.99017 13403.19799 16897.65155 13820.37085 12837.94371 18053.43517 13917.54458 13399.53276 14531.47759 15188.0499 12604.5122 11242.83036 9634.802599 10839.80499 12468.6138 11157.73864 13835.9668 13001.81837 12182.11456 12490.18206 0 10229.75454 9808.57578 9734.527164 N-Acetylmethionine_M+1 16846.72178 7380.738943 18908.79482 0 13251.93967 7342.250362 2976.976639 7135.741783 17327.97438 6263.092728 7378.14131 7250.596105 18848.84745 0 6029.296043 5242.59411 0 11254.60228 0 5457.031043 10730.71919 17774.8506 3884.734966 14996.02781 8209.496456 3216.416362 5528.44135 5374.251021 3398.783419 8188.313486 5582.210604 8806.140594 5936.844901 6124.656878 5870.636974 6532.953053 7767.957482 6070.828549 9557.179141 10459.85128 8021.933746 8771.855845 8766.95836 7751.082618 6595.623142 6408.301931 N-Acetylmethionine_M+2 0 0 0 0 1644.661981 0 0 3369.225864 3109.927831 0 0 7702.340753 0 0 17316.14345 0 7651.599742 0 3899.492829 3027.623341 2963.590293 3730.577765 0 2269.88921 3129.497703 2310.288749 1680.72451 0 0 0 5897.196836 6016.242487 4989.82283 3901.50918 5287.708149 8987.271581 8225.749452 7760.139606 16118.44262 0 12360.81375 12429.978 11183.14511 12206.2546 11224.24493 12811.21212 N-Acetylmethionine_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1288.733036 N-Acetylmethionine_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylmethionine_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10309.33408 0 0 0 0 0 0 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-Acetylmethionine_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylmethionine_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH_M+0 4997.429114 3989.981132 0 4084.297511 2092.343185 0 2660.760874 3340.647491 1929.774193 2007.451634 0 0 0 1408.126112 0 0 0 0 0 0 0 0 9752.858915 5302.9221 9901.731596 12585.87358 3349.614176 9951.990277 11429.95532 11159.32874 3281.15738 8673.752085 10759.23765 3434.774504 1751.796245 3151.825102 0 2059.681307 0 0 0 0 0 0 0 0 NADH_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2917.815113 0 0 2683.712562 0 0 2255.019221 0 0 0 1803.825636 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH_M+5 0 0 0 0 0 0 0 0 0 0 0 0 2251.250617 2781.383314 3741.555915 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4611.626856 4911.79992 0 3017.460609 4313.05766 4621.656026 5226.669407 2262.752028 0 4704.348185 3443.242721 0 0 0 0 NADH_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH_M+10 0 0 0 0 0 0 0 0 0 0 0 0 2453.176731 0 10759.85488 3295.595325 2165.238781 3631.267688 0 1774.689477 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2801.939669 3804.739698 4323.582652 4227.545815 16251.69017 8442.073274 11164.22352 7791.500001 4822.445954 7365.027176 8145.996596 6355.773481 NADH_M+11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2627.548637 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4928.410687 0 3028.088341 0 2363.055616 0 0 0 NADH_M+12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH_M+13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH_M+14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH_M+15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH_M+16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH_M+17 2349.099435 0 0 0 3009.398423 0 0 0 0 2793.194785 0 4551.241727 2985.972417 2618.127197 2710.613797 0 0 0 0 2939.057216 0 3150.444293 2950.292468 0 2010.183849 0 0 0 0 2906.260874 2596.479067 0 2570.736102 3223.506421 0 0 0 2197.001558 1982.490624 0 3410.927716 0 2204.135403 0 0 2110.606068 NADH_M+18 0 0 0 1085.573758 0 0 7679.054963 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5988.692354 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH_M+19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2843.503814 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH_M+20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH_M+21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Galacturonic acid_M+0 2555.70126 2748.006093 2760.548961 2146.119527 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2507.327964 3811.798873 2857.551403 2776.115476 0 3861.329128 2241.593617 2850.31581 0 0 0 0 0 0 2594.887335 0 0 0 1678.436208 0 0 0 0 0 Galacturonic acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Galacturonic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Galacturonic acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Galacturonic acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Galacturonic acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Galacturonic acid_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Quinic acid_M+0 17349.75687 7380.307614 18976.76584 7668.477717 13622.3137 0 2976.976639 6718.183287 0 6597.380942 7378.14131 6595.622898 19067.90708 8194.398758 6241.139278 5230.402587 0 10774.4496 0 0 10730.71919 18032.98166 3670.73456 14996.02781 12205.76368 3216.416362 2429.578053 1866.057189 0 8348.576956 5582.210604 8614.43414 6221.588361 6397.232762 5316.343663 6532.953053 7419.589812 6258.457179 9380.118969 9196.916357 8394.106392 8771.855845 9253.633735 8908.597394 21117.71758 9599.782769 Quinic acid_M+1 0 0 0 0 2449.790766 0 0 3369.225864 3109.927831 2233.503777 0 7889.090068 11604.42062 0 18094.02982 0 7651.599742 0 0 0 2963.590293 0 0 0 1303.023784 0 1680.72451 1960.302344 0 0 5897.196836 0 0 4088.442688 5287.708149 9242.265327 0 0 17969.17173 1399.929384 0 0 11183.14511 0 1651.777439 0 Quinic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1288.733036 Quinic acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Quinic acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1942.874334 0 0 0 0 0 0 0 0 0 0 0 0 1485.682067 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Quinic acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Quinic acid_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Quinic acid_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GDP-mannose or GDP-galactose_M+0 10668.93453 10137.39197 10622.19215 10859.61709 1759.64186 1726.529878 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 13400.69095 9032.29304 10187.83269 13131.46588 2465.727759 3261.702983 1520.947198 2204.910908 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GDP-mannose or GDP-galactose_M+1 0 0 1845.485848 2501.054132 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1503.501887 1323.739472 2711.570445 2067.127087 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GDP-mannose or GDP-galactose_M+2 327249.2695 304944.5939 316235.6684 316522.1741 219808.347 199412.7738 185640.2988 52971.15691 45140.16163 46591.53754 10376.81967 12588.40275 16760.44248 14496.68686 8111.02242 3779.591902 5602.146898 5695.834118 0 0 0 0 2369024.996 2016113.11 2179724.096 2113965.178 1945515.867 2067593.539 1871071.639 1939705.088 1315434.227 1219921.937 1100081.131 1013168.874 395038.9631 425626.7973 420983.6061 364562.7491 93302.43739 96124.12723 99597.84235 103942.9179 0 0 0 0 GDP-mannose or GDP-galactose_M+3 69374.30973 60403.28641 64471.14093 65315.16282 44603.31975 42802.63827 39427.32014 2384.946681 8326.23211 9229.130769 2722.540797 2510.41803 2912.937158 3141.835828 0 0 0 0 0 0 0 0 449734.0828 390699.4752 415114.544 401210.2847 380650.3703 405736.5406 374087.9245 378887.1769 265544.3532 244285.1863 224850.6456 203085.8923 84770.30161 95185.46074 90889.89048 75074.27095 19264.56341 23925.06387 22468.72627 21681.91096 0 0 0 0 GDP-mannose or GDP-galactose_M+4 15096.34926 10876.19095 12261.32829 11461.48027 9220.562276 4032.945881 8563.620946 6646.249776 6237.260974 5279.027115 4531.141405 3606.163412 5125.587447 3744.046835 0 975.4778118 2477.331872 3578.497427 0 0 0 0 89797.11861 94870.4281 58844.02649 105908.7782 88334.82507 101861.7099 95752.60059 84937.94572 89503.65372 75730.60639 73371.84388 69315.64584 50108.68023 58369.73129 65953.259 41159.36195 30240.80394 28382.1979 30366.22877 29242.77369 0 0 0 0 GDP-mannose or GDP-galactose_M+5 3188.06119 0 0 0 0 0 0 3883.410537 0 4278.761554 0 0 1977.921213 2842.41709 0 0 0 0 0 0 0 0 11217.85913 11943.94404 13043.64388 4112.465499 0 7494.067312 8901.277352 10248.96116 36233.30403 22119.13337 23900.46517 27893.06193 25335.26623 33188.14108 41786.91628 31014.83764 21095.41417 27042.48228 19945.35758 19663.80495 0 0 0 0 GDP-mannose or GDP-galactose_M+6 0 0 0 0 3865.344474 6510.375768 5718.659169 4383.61093 2471.356854 5360.050243 1583.314223 0 0 0 0 0 0 1575.560999 0 0 0 0 1514.631801 2029.594932 2213.187533 0 9150.756538 6144.036663 6299.425328 6526.610259 7509.891946 6430.206801 5015.905459 5505.951335 1961.837886 2415.425285 40203.19356 30244.68075 28504.26284 24393.72693 31415.19852 24989.87154 0 0 0 0 GDP-mannose or GDP-galactose_M+7 0 0 0 0 0 0 0 47310.30418 43013.09963 45397.37717 29156.11384 34042.2086 37266.81525 39252.95013 36983.40356 31759.27194 21925.27773 29187.9016 8096.156631 11051.07817 7303.033261 7782.407568 0 0 0 0 0 0 0 0 349608.8244 307829.2667 275088.7483 253572.1413 334875.3974 430220.1843 450664.7085 415079.101 378106.3822 355506.4368 347813.7465 345047.0001 35311.26886 40657.78818 42774.45389 34544.64392 GDP-mannose or GDP-galactose_M+8 0 0 0 0 9411.687572 7470.806281 11807.13084 86927.29734 69606.18586 76945.00416 32798.57388 32962.44879 37736.0582 39227.03613 34946.09081 26998.63879 24430.33512 27921.22959 2231.528173 4261.702001 3517.208561 4421.513889 0 0 0 0 11041.75011 8500.354371 7221.508476 8950.038835 512303.3264 431126.1728 381407.2696 358307.7131 395124.3141 450467.9505 456737.7139 423402.859 266843.5445 257447.6677 257193.9335 258607.2228 12921.25698 10789.93036 12606.85793 12677.71651 GDP-mannose or GDP-galactose_M+9 0 0 0 0 0 0 0 21188.19016 12082.81048 19908.05531 11559.83903 14615.4489 22605.74455 21001.98075 27279.14836 21005.31158 15966.76533 20181.97187 0 1786.719552 1938.447523 3012.342881 0 0 0 0 0 0 0 0 105257.1867 77283.00613 82605.22245 70458.57353 103147.253 133927.8996 137813.7318 127254.1548 148438.0122 146460.3426 145659.3305 136990.3783 6559.269698 5464.923736 6630.998497 5654.05989 GDP-mannose or GDP-galactose_M+10 0 0 0 0 0 0 0 51464.8055 40277.14126 44307.69337 38558.6792 40704.49484 52088.66186 49353.83541 58003.19791 36722.72992 32755.53718 40057.33488 0 0 0 2280.163193 0 0 0 0 0 0 0 0 182911.9986 163177.3919 139596.7429 124126.0821 224791.2746 284045.563 285177.9516 260627.1702 258305.9956 242492.2828 245887.2162 239370.298 6840.627421 5763.209149 5745.701778 9457.978302 GDP-mannose or GDP-galactose_M+11 0 0 0 0 0 0 0 3805.201628 2792.062264 3775.063156 2645.175121 0 17621.30835 14356.30549 24648.51463 2417.281992 13656.58043 1594.25865 3123.179558 1253.686183 0 0 0 0 0 0 0 0 0 0 5297.144954 4387.765395 2714.218882 3391.73672 52193.33108 69837.68538 76024.36053 66432.84688 91821.66412 91877.02899 95085.52445 85970.84077 1402.684257 4209.452872 2204.304029 0 GDP-mannose or GDP-galactose_M+12 0 0 0 0 0 0 0 10987.49907 10218.74147 9895.355814 12335.75802 18472.57661 22935.75051 18609.21061 38690.09771 26729.98686 20302.51231 27998.10718 7059.425824 5504.031093 6162.365012 4532.882902 0 0 0 0 0 0 0 0 30838.90006 25489.86731 24490.57393 25100.19847 61159.40749 80254.29812 91664.84136 83309.2611 150596.6209 145871.9057 141996.5103 128923.5216 69853.86782 73322.18757 76291.16331 76340.64155 GDP-mannose or GDP-galactose_M+13 0 0 0 0 0 0 0 79891.13517 66225.81119 77493.75008 84171.16276 85555.21435 111012.0645 110583.2582 154165.7379 123680.5353 111341.295 126959.5783 101160.1615 108719.9588 96402.59667 87812.46216 0 0 0 0 0 0 0 0 236304.1415 201243.8285 165564.1388 154682.2566 381749.4789 500731.8672 527222.773 506068.3933 862712.0199 763872.0435 728870.7035 718143.0618 909962.5631 995335.319 998591.0405 1013978.9 GDP-mannose or GDP-galactose_M+14 0 0 0 0 0 0 0 10640.28887 7404.526889 9275.816235 25084.10555 21211.56855 33082.3489 29222.93701 58202.08908 37613.17088 33205.90205 40607.07981 38786.83203 40023.64219 39179.8368 30976.70045 0 0 0 0 0 0 0 0 34674.45658 26509.53132 23465.4123 19689.26063 66335.73731 97556.73395 106102.1374 103415.5087 285415.4641 245381.1104 232314.8293 215600.4906 255978.7155 268569.69 282427.1561 279812.2065 GDP-mannose or GDP-galactose_M+15 0 0 0 0 0 0 0 49192.37776 33414.47617 40040.41173 111970.8412 118829.0434 152535.7747 154199.4307 250988.6007 173619.4789 146852.3932 190259.4371 143449.4247 141955.9712 140459.3193 111113.5175 0 0 0 0 0 0 0 0 89792.70718 78921.42434 66712.90015 56812.85208 218935.999 325237.7208 347641.2277 350472.0434 1019696.704 834316.0494 791908.8869 750436.6365 868055.0571 911346.3109 974895.1842 966308.1863 GDP-mannose or GDP-galactose_M+16 0 0 0 0 0 0 0 2533.75907 3040.062407 3080.792115 14157.29001 17854.85713 21557.07327 24134.19281 48417.90139 22300.37562 18700.26914 30427.5656 40574.73615 37831.53852 39941.39933 31561.58225 0 0 0 0 0 0 0 0 5944.571379 3785.270335 3182.011563 5735.800611 20829.53526 30799.46046 37163.32457 35567.54899 168786.4422 132878.474 127808.643 115832.1771 158440.4494 160863.0938 175401.9522 169409.5381 ADP-glucose or GDP-fucose_M+0 12086.67239 9697.021068 10694.18536 10914.60134 5773.613934 6356.587209 5179.424258 0 1533.627824 0 0 0 0 0 0 0 0 0 0 0 0 0 15923.65111 11014.41039 14241.88816 13134.41237 12335.71499 13222.85642 10275.18877 13694.10579 4249.454578 3871.96924 3086.227293 3475.798732 0 0 0 0 0 0 0 0 0 0 0 0 ADP-glucose or GDP-fucose_M+1 2023.453061 0 2267.674989 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3039.145709 1998.839493 2512.859117 2819.747683 2645.528377 2102.38954 2449.97116 2197.928896 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-glucose or GDP-fucose_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-glucose or GDP-fucose_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-glucose or GDP-fucose_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-glucose or GDP-fucose_M+5 0 0 0 0 0 0 0 0 0 0 0 1397.573525 1599.519082 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2366.690378 2811.038194 1615.706597 0 2078.392393 1876.058681 0 2054.700846 0 0 1394.208192 1352.867449 0 0 0 0 ADP-glucose or GDP-fucose_M+6 0 0 0 0 0 0 0 3321.591292 3495.951512 2869.985876 1577.521947 2309.507696 2616.353999 1663.416306 2444.368156 0 0 1413.806511 0 0 0 0 0 0 0 0 0 0 0 0 10025.11878 4663.880331 6197.999888 6499.387143 2962.998055 2518.030945 0 3358.449355 2541.330216 2783.95119 2103.324236 2344.29558 0 0 0 0 ADP-glucose or GDP-fucose_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-glucose or GDP-fucose_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-glucose or GDP-fucose_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-glucose or GDP-fucose_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-glucose or GDP-fucose_M+11 0 0 0 0 0 0 0 3690.21973 3307.42337 3219.032169 5620.367513 5516.619163 6646.467022 0 12235.92489 8591.50255 6799.329696 9429.504725 0 7404.417829 5915.583848 4911.65299 0 0 0 0 0 0 0 0 6063.617104 3380.080475 3883.332768 3356.240807 6352.988879 5737.065888 9241.341764 7979.922532 12134.06052 7851.318558 9018.795674 7440.735691 11451.87081 11868.29719 10602.43226 9934.628026 ADP-glucose or GDP-fucose_M+12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2075.077162 1697.26466 2033.487751 4344.148338 3702.563174 3322.276332 2202.400737 4320.332911 4070.342987 3729.861873 3711.840021 ADP-glucose or GDP-fucose_M+13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1299.53166 0 0 1553.664641 0 0 0 ADP-glucose or GDP-fucose_M+14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-glucose or GDP-fucose_M+15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-glucose or GDP-fucose_M+16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 UDP-N-acetylglucosamine_M+0 330023.8026 304701.7913 318336.5679 320151.0563 220483.2907 199412.7738 185810.5475 52971.15691 45306.77946 45168.9069 12151.66393 13009.62128 16760.44248 14200.28917 7851.609998 4096.598717 5602.0846 7256.162881 0 0 0 0 2369216.516 2016113.11 2182895.476 2113314.919 1947606.059 2072612.303 1870432.005 1941025.644 1317339.487 1220660.49 1101241.653 1013264.714 396311.3111 428816.3793 422332.5118 365850.036 93302.43739 99727.56315 100587.3365 103942.9179 0 0 0 0 UDP-N-acetylglucosamine_M+1 69374.30973 61966.00908 64471.14093 66853.39589 46065.75286 42802.63827 38791.23989 10750.08307 9618.683277 9512.178049 2521.127632 2161.464906 2462.809398 3141.835828 0 0 0 0 0 0 0 0 451488.8653 392328.9242 415683.803 402402.4526 380441.8874 407316.4749 374087.9245 380891.1349 267107.7774 243747.4838 224850.6456 206086.8118 84770.30161 95403.02944 91521.13344 77667.39291 22957.47179 22814.007 25134.40174 26270.26613 0 0 0 0 UDP-N-acetylglucosamine_M+2 17833.78205 17351.30791 17468.30808 15523.28672 10246.51899 11822.33328 10166.84352 7961.607371 6957.984929 6115.946592 4741.768032 3606.163412 5564.026191 4878.58849 3549.351642 4023.248369 2991.16818 4520.985801 0 0 0 0 120194.7378 105204.4807 112251.4313 106418.6673 101607.5053 110281.3355 97094.8192 101639.5444 97716.47172 83484.19406 82294.58978 75181.04906 50700.14563 58458.807 65953.259 53040.19054 30835.4059 33939.5856 33731.21266 32800.11279 0 0 0 0 UDP-N-acetylglucosamine_M+3 3254.773459 0 0 2691.548927 0 0 1886.309774 4992.382006 5744.69785 4278.761554 2622.091681 3879.524381 4240.318887 3488.886135 4204.316235 2451.730761 1994.513729 3059.670702 0 0 0 0 17148.27393 14629.93915 18238.97631 16763.67839 10810.28733 17388.62166 16918.84258 15247.84236 37736.44788 31848.11542 31048.7519 31460.9513 30812.48233 34390.52105 42168.83777 32807.9766 22884.55419 26585.65518 26264.56163 22655.57103 0 0 0 0 UDP-N-acetylglucosamine_M+4 0 0 0 0 5915.730698 5410.180352 5913.019003 2437.178789 3651.661676 2151.428663 1946.142087 2807.043964 2485.373915 1803.56922 4105.576874 4089.825836 3136.845806 3057.923052 0 0 0 0 3281.046928 2607.796162 1640.752024 2114.780546 0 2725.534469 0 2884.328653 32972.66443 21111.9729 19781.53114 19750.76345 26930.98922 35789.71249 39583.00364 2255.113987 31410.62837 34236.60545 32341.61365 26760.21656 0 0 0 0 UDP-N-acetylglucosamine_M+5 0 0 0 0 0 0 0 48016.45192 43354.30026 44995.11881 29656.91867 34042.2086 38953.38601 39580.75779 40747.5367 31759.27194 26241.38553 30047.24247 10497.6338 11051.07817 10709.82904 9610.39788 0 0 0 0 0 0 0 0 350092.4306 307829.2667 275606.7621 254647.5019 333102.1222 431398.2058 451804.3141 406519.1828 378491.4178 358602.1446 347813.7465 345707.2885 39687.50954 40657.78818 42774.45389 39018.99836 UDP-N-acetylglucosamine_M+6 0 0 0 0 8512.693594 9699.192895 12803.64374 87745.57625 70185.05308 77019.95699 33058.80111 34489.57733 40761.19059 38816.21013 37337.97322 26441.15103 25531.27564 27921.22959 3668.679979 5138.044162 3970.439453 4876.075742 0 0 0 0 11300.06375 9918.695349 8775.587675 9965.935322 513075.1625 430949.6145 382984.1883 360283.9116 395172.536 452581.0922 460174.8424 424581.219 266682.84 257235.3106 257193.9335 258074.9827 14938.52201 15144.48249 17114.27721 11803.1436 UDP-N-acetylglucosamine_M+7 0 0 0 0 0 1520.744931 0 22661.71687 18499.64285 19908.05531 15836.33298 17103.12318 22605.74455 22266.25285 28422.9756 21005.31158 16810.08788 21529.26343 2237.697818 1661.092512 2483.675646 2548.979251 0 0 0 0 1196.982028 0 0 0 105257.1867 88162.47212 82166.21423 73937.34025 104165.8243 133927.8996 137813.7318 127254.1548 152174.257 150012.7294 145659.3305 135930.7122 5915.566623 6659.587752 6848.061597 6391.85458 UDP-N-acetylglucosamine_M+8 0 0 0 0 0 0 2284.44916 53202.47227 40551.395 43909.68671 40328.11193 40704.49484 51353.45141 49934.9529 58315.873 36691.35871 34241.8652 40472.03818 2217.118591 1718.650551 2207.881473 3199.878873 0 0 0 0 0 0 0 0 186236.176 163177.3919 143427.718 124876.1569 225427.4052 284225.2881 291321.9735 263034.7415 258305.9956 244821.3866 245142.7979 240156.2771 8849.474058 8841.918705 6456.760326 10204.93949 UDP-N-acetylglucosamine_M+9 0 0 0 0 0 0 0 11848.78994 8429.149731 13192.52192 12239.21618 14020.87795 17621.30835 17219.52908 25283.54298 16128.8586 14423.4114 17534.99407 0 0 0 0 0 0 0 0 0 0 0 0 40145.92736 32262.11103 29552.15827 26996.36179 53967.37809 69837.68538 77188.73434 66432.84688 91662.90777 93896.00471 95085.52445 87306.92842 4714.129546 6138.444838 4539.604506 2929.640802 UDP-N-acetylglucosamine_M+10 0 0 0 0 0 0 0 13229.43207 9276.04234 10404.16379 17901.59811 18472.57661 24260.53019 23648.6397 38690.09771 26729.98686 25954.12797 30439.97559 9479.065032 9055.289292 8448.300853 6883.052263 0 0 0 0 0 0 0 0 35210.48291 29952.58522 27782.01885 25455.28229 61159.40749 80755.00961 91664.84136 84511.21161 153567.5345 146786.1708 143519.7918 128817.7394 69853.86782 73322.18757 75482.016 76340.64155 UDP-N-acetylglucosamine_M+11 0 0 0 0 0 0 0 80851.28359 68442.94759 78574.14677 85798.9227 86707.48469 111777.1673 110583.2582 154529.1908 124105.0828 111815.0599 126959.5783 100991.3978 108524.5242 95260.91429 87812.46216 0 0 0 0 0 0 0 0 236590.8079 201386.0497 165754.8724 158562.1863 385127.2924 501222.242 529764.2946 509740.1122 865073.1782 767102.388 732062.6918 718433.7924 912858.7828 997567.5139 998759.5133 1015082.182 UDP-N-acetylglucosamine_M+12 0 0 0 0 0 0 0 12447.78627 10388.38909 13283.17059 25236.42331 27703.62778 34041.52844 32701.43182 58437.60322 39638.93686 35566.16136 41678.94201 40878.43124 40023.64219 38684.45315 30172.62261 0 0 0 0 0 0 0 0 34674.45658 28179.44853 26016.73961 24026.6897 66860.11208 98048.9327 105806.5056 105222.6501 285705.6367 245983.9055 230676.1269 219305.4112 256135.2902 271998.694 281466.0118 281409.2183 UDP-N-acetylglucosamine_M+13 0 0 0 0 0 0 0 49192.37776 35289.41612 40040.41173 112402.9178 119259.0776 155577.751 154435.6069 251357.5915 173833.2952 146852.3932 192386.5587 144563.005 141730.6105 140938.884 111827.0209 0 0 0 0 0 0 0 0 93161.37913 78921.42434 69889.81291 57819.05196 222688.8411 325237.7208 349635.692 351995.7617 1020172.571 834547.2582 796262.6559 756003.6121 871382.5466 915179.5559 975532.8295 969459.6226 UDP-N-acetylglucosamine_M+14 0 0 0 0 0 0 0 4171.455197 3654.082588 2522.139268 16867.72786 19245.12703 26253.07318 23879.92056 49825.42019 24774.68458 21443.59357 30427.5656 42233.56127 37449.38682 41316.9308 31561.58225 0 0 0 0 0 0 0 0 9244.786335 5718.974558 5487.475883 6248.375453 25161.93177 35108.96095 43219.73544 35567.54899 169434.5814 136749.4129 128722.6475 118981.7406 160084.7925 160719.6668 175784.8263 169979.1787 UDP-N-acetylglucosamine_M+15 0 0 0 0 0 0 0 2162.93026 0 0 12677.59832 14997.65824 19569.47362 16971.26846 40049.65468 21345.08994 16858.31411 23017.37928 36995.32488 33222.70328 35165.59454 27861.42076 0 0 0 0 0 0 0 0 0 1831.599693 0 0 14104.90673 20835.51983 24185.10106 26088.41605 122138.0196 92303.11643 89038.71231 82744.7684 107263.4509 110142.6553 123350.6942 119056.2277 UDP-N-acetylglucosamine_M+16 0 0 0 0 0 0 0 0 0 0 1654.499193 1732.765655 2102.289557 0 8053.389925 1967.370968 2244.287966 1806.913288 13339.03417 11162.29087 9788.058553 8262.098111 0 0 0 0 0 0 0 0 0 0 0 0 2466.260271 3416.08654 0 3412.10887 25161.26876 19946.66684 18788.16305 13065.48297 26726.94661 26808.07093 30435.57515 28845.82463 UDP-N-acetylglucosamine_M+17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2764.441225 1910.443702 3706.653952 3900.52555 3567.453522 4670.300936 Hippuric acid_M+0 5175.403062 5155.458383 0 5454.851361 4486.954864 0 3317.423667 4073.041956 2907.647869 3902.543682 0 2717.756906 3711.588767 0 3551.842159 0 2125.325556 0 6619.093093 5616.821106 6036.775039 4720.713126 35186.29012 31013.65761 36024.79649 35560.28421 32265.72291 33167.34975 30349.71155 30594.9571 27607.17658 23178.49583 20765.32722 22683.48291 14723.68678 14298.24409 15381.36111 14346.92322 7949.279463 8265.01852 8823.267391 8383.608889 11097.9719 10909.98151 10487.97854 13048.54353 Hippuric acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 4482.88425 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2210.165924 0 0 0 0 0 0 0 0 0 0 0 0 0 7470.081524 0 2702.262345 0 0 Hippuric acid_M+2 0 0 0 0 0 0 0 2078.356211 1501.434077 2337.163803 3567.229317 3655.575263 5018.115622 4564.555787 6261.962783 3934.858215 4289.481064 4609.959802 8020.880168 0 6514.356822 6312.753762 0 0 0 0 4159.243396 4438.529849 3515.174872 3496.961622 18558.75398 14075.41678 13588.39151 13263.18626 14126.47069 17098.81833 16878.64915 15346.74427 11932.95247 16353.69571 9895.880813 11038.63275 13596.09117 14104.13942 13501.22647 14460.26469 Hippuric acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Hippuric acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Hippuric acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Hippuric acid_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Hippuric acid_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Hippuric acid_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Hippuric acid_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 IS_CSA 3880723.869 3782888.802 3754684.509 3815946.949 3721816.643 4040863.774 3202070.673 4397326.326 4222669.727 4221357.783 3112715.88 3090146.661 4404667.023 3720098.74 3713090.231 3282376.103 3139592.099 3721188.024 4353292.119 4265046.215 4311943.153 4284611.576 4459334.996 4117551.735 4243996.51 4007635.353 3856021.661 4041840.356 3936662.225 4012470.549 4318612.057 4273911.249 3428549.127 3464209.838 4060227.547 4091071.846 4484734.99 4084557.449 3674262.546 3835976.842 3736493.216 3812653.604 3797699.48 4025560.217 3754929.74 3885332.835 ADP-ribose_M+0 0 1794.647464 1904.872635 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3213.556722 2501.080021 2211.698133 1346.853946 2240.901443 0 1620.354673 1761.611995 2607.163315 0 0 1933.924474 0 0 0 0 0 0 0 0 0 0 0 0 ADP-ribose_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-ribose_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-ribose_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-ribose_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-ribose_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1228.826745 0 0 0 0 0 ADP-ribose_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-ribose_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-ribose_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1798.422277 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-ribose_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1403.848089 0 0 0 0 1472.005512 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-ribose_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3210.291822 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1866.870859 2733.255145 0 0 2423.152723 1977.569522 2694.326465 4905.079468 ADP-ribose_M+11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1982.285803 ADP-ribose_M+12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-ribose_M+13 0 0 0 0 0 0 0 0 0 0 0 0 0 1527.218247 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-ribose_M+14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ADP-ribose_M+15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2465.342759 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1482.184658 0 0 0 0 0 0 0 0 0 0 0 0 dTDP-glucose_M+0 4917.694021 4158.71541 5495.959105 5993.485206 3713.60327 1967.620242 3703.338795 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 37613.30089 38387.01135 44334.65737 40988.98631 38174.43447 39454.02642 37130.83363 39490.05459 29025.78077 24821.466 22266.69352 21876.95914 8561.241436 9562.043975 8768.395231 6136.595715 0 0 2339.828534 0 0 0 0 0 dTDP-glucose_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7126.297397 7230.332695 8923.137105 8054.199624 7262.559803 8899.15517 5678.270041 7376.222358 5843.68955 4268.406126 3116.247406 3062.406704 0 0 0 0 0 0 0 0 0 0 0 0 dTDP-glucose_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1618.927462 0 0 0 0 1949.784768 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTDP-glucose_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTDP-glucose_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTDP-glucose_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6535.547502 5145.617873 4314.373622 4664.301765 5939.676912 8604.708925 9492.004077 8088.372965 6178.987445 0 7308.052441 7547.519164 0 0 0 0 dTDP-glucose_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8934.970945 8620.615375 6146.810708 6833.161417 8723.154895 6881.220938 7370.578954 6186.674707 4325.363665 3726.525346 3245.036025 4218.894839 0 0 0 0 dTDP-glucose_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2239.065881 0 0 0 0 0 0 0 0 0 dTDP-glucose_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2699.610304 2724.932341 2240.563799 0 3493.695788 5377.5147 3775.748033 5719.566394 1493.780894 4991.234798 4900.548235 4596.21419 0 0 0 0 dTDP-glucose_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTDP-glucose_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTDP-glucose_M+11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1836.175524 0 0 0 0 0 0 0 0 0 0 0 0 4059.498607 3151.372129 3016.908747 0 6476.69039 7785.016834 7655.853976 9535.049383 12407.84961 11590.54194 14342.17842 12122.49357 16891.4782 16650.35185 15331.96081 18251.57735 dTDP-glucose_M+12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2897.769509 2951.950386 3325.675528 4086.146909 2406.100594 0 3810.854704 3178.451041 dTDP-glucose_M+13 0 0 0 0 0 0 0 0 0 0 0 0 3208.170405 1921.044887 2386.503273 2357.392095 1928.891423 2734.264207 0 1978.36672 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4607.081106 6664.138058 5633.861644 6396.238765 13153.56299 13904.52106 16469.05108 15512.77813 16509.16914 14737.02602 16241.17268 17339.09338 dTDP-glucose_M+14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2182.279065 0 2034.11299 2233.255339 dTDP-glucose_M+15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1663.472178 0 0 0 dTDP-glucose_M+16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 UDP-glucose or UDP-galactose_M+0 455929.3715 420132.5988 444331.61 475836.7019 159156.5947 139875.2445 115847.5827 17928.34746 16841.62413 17049.06013 5268.740754 3897.633558 8022.643186 6026.325267 2078.09868 3561.523901 3099.039233 3716.912991 0 0 0 0 597719.9501 464323.955 501497.8626 480805.7959 320421.4281 323513.4385 318215.919 310132.7383 31226.07101 23529.26839 22569.15482 23402.61368 12536.84941 15066.27231 14875.66601 12538.38995 0 2706.146276 3102.915885 5005.103658 0 0 0 0 UDP-glucose or UDP-galactose_M+1 82553.86408 79294.35128 83326.32399 84765.6537 28009.03893 26730.16899 21395.19925 3147.031918 0 0 0 0 0 0 0 0 0 0 0 0 0 0 104520.6184 84531.33845 90606.36001 87602.80611 58737.26009 59315.96789 58641.98102 56490.95866 0 0 4467.382154 2807.31956 0 0 0 0 0 0 0 0 0 0 0 0 UDP-glucose or UDP-galactose_M+2 23837.63554 22758.71473 23030.06224 22946.20821 6924.733876 5266.775236 5991.068001 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 26805.13388 20963.41961 27820.52766 25195.14624 15156.83902 14265.26711 18556.63873 15811.23847 0 0 0 1657.825379 0 0 0 0 0 0 0 0 0 0 0 0 UDP-glucose or UDP-galactose_M+3 2414.369545 2807.305317 3512.755661 0 0 2361.446615 0 0 3513.303905 3394.149791 1833.337937 0 3272.922832 2611.973087 3811.082132 2492.928701 0 0 0 0 0 0 3651.377941 2944.926625 2579.838341 0 4243.150078 2415.535474 2572.350268 3617.896132 4882.646427 2191.894273 3352.672101 4092.156092 3120.535463 0 4499.633956 2822.661214 0 2649.506805 0 0 0 0 0 0 UDP-glucose or UDP-galactose_M+4 0 0 0 0 0 0 0 0 1711.271241 0 0 0 2346.502561 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2054.368195 2913.813078 2714.496697 0 0 2795.911607 0 2460.8132 0 0 0 0 0 0 0 0 UDP-glucose or UDP-galactose_M+5 0 0 0 0 6049.327648 5358.164436 6573.562766 26924.695 24560.07369 24986.61295 23162.21786 22744.78139 28595.14011 26955.59306 42911.29805 29886.16657 29018.80433 35864.52029 0 0 0 0 0 0 0 0 5368.68515 5643.050158 4029.270239 3729.236609 38566.4736 31042.69216 27122.68178 27266.82243 27714.01776 35423.03936 37679.27454 33249.83756 35286.04616 34300.42952 33112.3364 29026.68346 0 0 0 0 UDP-glucose or UDP-galactose_M+6 0 0 0 0 145900.737 136314.977 147661.8544 232720.3459 180563.5933 198331.3027 84794.22121 84095.52563 106339.1508 104089.6365 100953.9297 69031.73342 54883.45653 74882.09833 0 2417.988716 0 6601.288707 0 0 0 0 149837.9196 123152.1489 108506.1562 127726.175 402782.6817 336969.1536 295320.3692 283526.0362 178172.3085 197948.1779 202477.1735 183325.5452 92037.79553 84849.67005 85494.16701 83636.65604 0 1594.659106 0 0 UDP-glucose or UDP-galactose_M+7 0 0 0 0 17986.36978 17684.03823 17586.24598 29856.31256 24787.00037 27141.7432 15292.1333 12967.71437 20377.02853 12344.21075 23934.69628 13602.5647 12134.47584 18175.48323 0 0 0 0 0 0 0 0 17695.39926 15749.40002 12714.92091 15469.2069 51317.69401 44016.57642 34732.656 37326.77292 25354.23593 30146.54924 31930.70947 28424.81856 24270.88121 21149.38856 20175.64326 17854.33688 0 0 0 0 UDP-glucose or UDP-galactose_M+8 0 0 0 0 5005.032362 4933.864351 7304.363079 25539.50934 18069.98422 25346.4343 23187.16612 22490.53666 29566.15532 27869.72983 49790.39618 36509.81508 30919.26841 39439.7829 0 0 0 0 0 0 0 0 5145.885259 3827.79055 2422.400482 4297.867804 30095.30478 25414.09991 22881.32712 23891.1215 23847.2536 30173.4919 33075.06527 25561.6631 33824.14366 33256.59768 29718.47885 26737.15284 0 0 0 0 UDP-glucose or UDP-galactose_M+9 0 0 0 0 0 0 0 17275.83125 15457.64974 15488.19679 20430.5558 20547.00653 23914.34159 24370.28717 45058.65844 32534.19956 27282.06579 34943.40646 0 0 0 0 0 0 0 0 0 0 0 0 16302.37414 11790.75658 10797.18589 10113.77182 15778.9084 20410.60079 22222.56238 16655.04563 27620.07108 27544.37261 27544.21674 19632.43645 0 0 0 0 UDP-glucose or UDP-galactose_M+10 0 0 0 0 0 0 0 21372.57429 19318.41048 20884.08451 29315.88957 27913.16803 35719.36959 34204.91203 62482.33928 44000.41664 34822.67687 46322.08167 16678.03171 17789.75373 15389.1761 14266.11465 0 0 0 0 0 0 0 0 24750.06212 22285.90982 17390.21697 18213.26399 23981.72484 33363.48762 35680.01717 34650.74956 52216.69742 47068.38068 42750.81776 39393.07192 31599.14568 31901.79948 30311.99528 31767.22707 UDP-glucose or UDP-galactose_M+11 0 0 0 0 2708.251484 3525.741273 4482.452701 222582.3659 172724.8283 199759.4521 253119.3957 258801.8866 325015.3173 339867.4745 522308.1076 396980.2208 336209.7582 428220.0758 207077.9768 241091.0109 207127.8244 180247.1488 0 0 0 0 3367.468434 2349.164008 1792.418886 2717.445172 259565.906 211508.9748 181947.4647 165875.2159 236294.8508 311378.7629 329512.9014 317298.1758 474578.1132 382346.4439 356016.6991 348619.3986 421966.2201 412640.2477 403268.8767 406401.227 UDP-glucose or UDP-galactose_M+12 0 0 0 0 0 0 0 16507.18259 12774.25395 13487.48646 37914.83214 38031.20323 50920.33045 46504.53986 95476.29821 59081.38117 46217.10061 66170.28475 49128.23547 56826.70135 51688.8152 44637.02236 0 0 0 0 0 0 0 0 19947.80815 17512.82473 14223.48229 13147.21928 19936.53684 31337.65676 34441.25852 31027.90416 78947.98122 62540.57032 57566.64202 54677.0481 69458.14875 66818.0417 65762.37132 68405.50475 UDP-glucose or UDP-galactose_M+13 0 0 0 0 0 0 0 11166.9137 7625.055538 10517.1434 31482.73863 33115.1211 42393.23186 39005.58205 85940.62676 48365.87764 37641.90268 51545.81623 57483.69646 60240.56161 56300.06589 46663.97854 0 0 0 0 0 0 0 0 10496.91732 6360.940791 6824.834655 8118.161653 14891.06111 18974.27745 25164.25585 22951.4505 65791.96475 51851.9201 44574.85579 44156.78652 60941.4828 56974.26355 58276.4843 58813.36224 UDP-glucose or UDP-galactose_M+14 0 0 0 0 0 0 0 0 0 0 3957.433156 5849.117329 5494.734816 2917.439083 4148.015303 8412.130794 5079.681072 8313.353568 19647.63777 18792.58463 18979.12944 12809.72706 0 0 0 0 0 0 0 0 0 0 0 0 0 3283.055096 0 2911.954928 3674.324665 10489.65111 10489.81468 6790.528408 14033.20447 13984.98458 12508.54121 12812.64037 UDP-glucose or UDP-galactose_M+15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1814.67742 0 2052.41345 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucosamine 6-phosphate_M+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucosamine 6-phosphate_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucosamine 6-phosphate_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucosamine 6-phosphate_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucosamine 6-phosphate_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucosamine 6-phosphate_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucosamine 6-phosphate_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Uric acid_M+0 0 0 0 0 0 0 1784.234751 0 13134.53529 0 0 0 2225.905272 0 0 0 0 0 0 0 0 0 0 3004.987763 0 1491.720618 1855.968633 0 0 0 0 0 0 0 0 0 0 0 0 2284.900103 0 0 0 0 0 2936.266258 Uric acid_M+1 30050.25931 25693.16365 27259.53598 26010.05202 26080.93043 0 24812.1925 27668.45003 2089.24523 29392.52516 0 0 22353.02618 0 2007.6213 18981.47209 19000.91205 11400.51283 0 3841.136298 11182.1843 11805.31178 30581.58862 13897.7097 28379.73095 32881.84459 31316.83841 30684.97557 9456.388989 30752.0618 36597.51062 7876.437102 33512.11806 6054.157527 8436.496256 25137.91271 26537.94524 25903.62771 18912.18557 30547.31092 25974.78271 23445.38183 7472.283955 3709.408705 23305.76984 23306.33904 Uric acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Uric acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2273.655819 0 0 0 3514.537795 5602.321181 2484.169774 3444.007993 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5305.767694 3972.523788 0 0 0 1882.632672 4860.205551 1752.21529 Uric acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Uric acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 trans-Cinnamic acid?_M+0 448724.7577 412579.786 441698.3934 458935.7349 329846.9842 308519.9884 297359.2602 525043.638 464549.9895 502712.056 463620.8415 425690.855 607923.3907 589972.7535 797453.7701 579403.9775 502694.8131 719912.4373 239518.5201 236722.2733 230131.7107 198669.0948 709137.4688 565256.2659 563113.4633 612264.4309 578852.2234 596032.4295 530043.1276 533214.4695 816684.7916 708743.6016 593931.8333 620214.9081 730660.7684 868572.5751 901849.0432 821495.6791 1073186.554 959389.5997 992522.3861 942182.8598 559467.3793 593182.4481 602221.2102 626703.7496 trans-Cinnamic acid?_M+1 79047.91362 70774.55282 74221.65854 76498.35641 88186.54678 86084.68907 83665.56669 647723.2736 446362.4547 518773.0791 1472803.696 1444613.314 2082712.245 1933622.512 3504442.81 1980923.315 1633302.667 2561468.964 1139306.304 1121825.529 1077750.083 868099.4141 114758.5809 94824.17825 93472.86262 100881.8824 119069.7693 115366.7857 105465.8117 108989.6891 680866.4238 586466.4954 507836.1835 470494.2659 883887.8443 1274553.109 1474089.346 1306416.08 3330429.554 2747026.217 2850892.212 2562701.418 1498575.171 1474582.153 1557185.571 1546522.153 trans-Cinnamic acid?_M+2 0 0 0 0 3968.035638 0 0 56924.37882 33791.0379 35109.42863 206931.7644 191580.3545 291036.8717 131727.8978 563532.6759 288670.1968 239486.096 356011.0081 310000.3925 266680.4992 283741.3061 225398.268 10610.50663 0 9955.137729 0 11580.82948 0 8071.259138 0 50855.22369 50775.31516 37906.10872 0 46843.90214 130919.6058 145294.5858 136325.5183 555086.1971 448257.0521 457383.5548 397958.1303 219582.9448 216250.9733 246925.8604 231852.9152 trans-Cinnamic acid?_M+3 0 0 0 1434.989088 0 0 0 37889.39282 17433.0861 21343.42475 196876.6704 187454.764 298928.122 248988.3701 603594.8662 255348.226 205757.9175 340937.9405 362898.2588 293104.0829 348874.1869 259596.5387 0 0 0 0 0 0 0 0 19462.94867 25303.31759 15067.83183 16637.57931 43909.16743 81532.44177 98503.35476 86132.49606 409336.6022 350923.5455 367326.1366 313687.734 186338.4015 186492.0119 214894.3187 176581.0352 trans-Cinnamic acid?_M+4 0 0 0 0 0 0 0 0 0 0 19582.87824 38914.26261 0 49914.62904 146314.3707 52099.53497 7237.221882 59120.29075 145751.1152 124557.8845 141586.101 104968.5072 0 4347.465898 0 0 0 0 0 0 11701.41512 0 7849.582761 0 0 22075.10029 22694.11948 33901.2737 105241.2263 86976.82095 84197.39974 74665.33607 56737.17942 51712.59074 51095.85897 53555.7709 trans-Cinnamic acid?_M+5 0 0 0 0 0 0 0 0 0 0 3554.323248 4728.827066 7067.638073 4495.665511 9559.13956 5403.288217 0 7431.774263 5267.828342 6860.254991 6903.947145 3993.795943 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7623.157475 7221.364057 6319.28417 5292.844358 0 2066.382278 3831.07042 3178.871783 trans-Cinnamic acid?_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2560.520491 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 trans-Cinnamic acid?_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 trans-Cinnamic acid?_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 trans-Cinnamic acid?_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Hexanoic acid_M+0 21498.90474 19088.08257 19810.67548 19622.83077 17629.75971 15457.20737 11767.92841 15750.36681 19319.5175 18921.68559 13171.47084 14463.87627 15583.54358 13226.04078 21136.74234 16025.82262 15971.94913 17668.43452 19899.48033 16417.27006 18348.36668 16479.02167 24346.25077 27932.60353 29750.40061 20410.0693 6067.463423 17360.69903 13289.56497 20188.4195 3717.960943 17532.97805 14148.54588 0 11500.0591 15531.58653 17125.60177 24382.71679 15574.20026 19070.59796 24203.45804 24230.58577 28231.97143 27348.52848 30187.59988 26602.78788 Hexanoic acid_M+1 2849.38596 1910.844114 1481.669991 1563.108711 0 0 0 0 0 1464.108204 0 1432.056604 1586.151333 1335.389733 1665.837803 0 1565.183341 0 0 0 0 0 2787.197929 2407.206811 1751.087168 1345.833964 0 1826.002014 0 1340.771855 0 0 0 0 0 1954.20525 1566.338163 1847.684738 1545.703868 1551.077717 1439.589822 0 1916.707678 2096.962844 2030.472939 1892.235226 Hexanoic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Hexanoic acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Hexanoic acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Hexanoic acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Hexanoic acid_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetyl-β-alanine_M+0 7096.351485 7151.218189 8523.171215 6143.903775 3084.417233 2520.061183 2807.287 3518.22419 2870.995003 3746.285556 4374.667497 3169.196528 6244.998507 5212.444537 6692.00125 3405.269643 0 4825.71376 0 0 0 0 13626.05821 12979.5057 13636.21821 13112.62645 10124.68228 13808.15698 10370.24611 10930.1253 8279.457467 8983.052097 7544.265012 5973.881831 5340.873047 6947.058158 7057.601221 8133.198232 11076.62857 11210.00833 10234.48388 8357.257459 2827.733054 4382.806836 4418.046742 3945.797029 N-Acetyl-β-alanine_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2866.926242 0 0 0 0 0 0 0 0 1506.063192 0 0 0 0 0 0 0 0 0 0 0 0 2716.217487 0 2206.074219 0 0 3455.277657 0 0 0 0 N-Acetyl-β-alanine_M+2 156751.4676 125552.5497 139093.23 142190.6077 83209.93736 73835.46827 77256.62542 0 0 0 107537.6008 123339.5741 133691.2661 139723.0279 0 100189.9704 89581.44666 146472.0438 21898.73811 0 0 0 386241.6439 295141.3247 293592.7738 311200.0918 349997.6332 0 316444.0764 0 0 0 0 0 0 0 0 0 0 242237.0459 0 0 140067.5329 158401.6113 141203.8263 0 N-Acetyl-β-alanine_M+3 0 0 0 6276.932225 3074.865733 3209.420502 0 2063.277461 1329.087653 2028.879447 3024.634404 3229.727176 3870.365725 3170.456401 7194.698696 3499.549251 2999.063 4984.772338 3955.876865 4435.699326 4152.302678 4178.951131 11642.86755 10920.21693 11894.80149 11542.15102 17316.28088 0 16183.02163 0 2752.987453 2879.970657 2512.345202 2401.05357 2638.69045 4252.329186 4683.204848 4687.867394 10540.62133 10475.67687 9087.260932 7857.290837 7118.675871 6810.952264 8517.248759 7968.052179 N-Acetyl-β-alanine_M+4 0 0 1921.716824 1525.473013 0 0 0 0 0 0 2697.453414 11374.43596 14022.85878 16388.15415 0 16813.0522 0 21884.52241 14172.24219 0 0 9763.417844 0 2075.642179 0 1733.253739 0 2198.938362 3004.990686 0 3665.665914 1312.344216 0 9531.806627 0 0 7383.930682 0 0 1665.979159 0 1814.443929 0 0 1387.139324 1810.555604 N-Acetyl-β-alanine_M+5 0 0 0 0 0 0 0 0 0 0 3497.306321 3364.58892 4697.417457 4795.319164 10763.98119 5627.111683 4023.527866 6636.519127 5369.733729 4205.604443 5237.913799 4761.151126 0 0 0 0 3314.067722 0 1546.596395 0 0 1505.387112 0 0 2763.752093 3818.953634 4369.201493 3447.972912 12960.77946 10840.71043 11658.07081 8939.22852 7729.716934 7376.236363 9131.485003 8364.173742 5-Oxohexanoic acid_M+0 0 2994.38937 0 0 0 0 0 0 4573.502263 0 0 0 5329.368083 4446.936216 0 0 0 0 0 5105.300095 0 0 0 4687.191676 5886.818971 0 0 3371.749657 0 0 0 8068.051768 0 0 0 0 0 0 8454.498758 0 0 0 3426.701139 3478.634101 4449.096254 0 5-Oxohexanoic acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2556.696761 0 0 0 0 0 5-Oxohexanoic acid_M+2 0 0 0 3389.696447 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5-Oxohexanoic acid_M+3 0 0 0 0 0 0 4004.200723 2016.16317 0 0 0 0 0 2416.091426 23924.72147 22315.01677 1818.210077 1558.942475 10488.31465 6736.768598 0 1152.997985 0 0 0 0 0 0 0 0 2245.04009 1436.760983 0 3008.739425 0 0 0 0 1720.98652 0 0 0 1567.485872 0 2071.388943 1497.237583 5-Oxohexanoic acid_M+4 5862.91828 1218.852366 0 0 0 2345.72906 0 0 3537.477541 1394.886852 2659.39381 1285.050968 0 3103.40854 0 4065.825659 1575.939617 3777.239885 0 0 0 0 5056.541385 0 3238.158477 1394.115627 3341.974503 3320.845679 2933.452526 0 3329.233076 1562.65563 1263.254083 2438.810358 5562.748736 1873.725851 0 0 0 0 0 0 0 0 0 1247.848799 5-Oxohexanoic acid_M+5 0 0 0 0 1798.096304 0 0 0 0 5798.159683 3721.985662 0 0 0 0 1970.087058 1958.345334 0 0 0 0 3381.456297 2129.177049 0 2035.660001 3153.982046 2479.28417 0 0 3043.690085 0 0 5313.525318 2921.190248 1897.732029 4863.394453 6802.015757 0 1223.452204 0 0 0 0 1719.308693 0 0 5-Oxohexanoic acid_M+6 0 0 0 0 0 0 0 0 0 2190.21803 4140.699729 2801.443533 0 2313.89286 1536.0585 2390.832812 0 1718.353129 3044.744219 0 5196.831416 1816.421243 0 0 0 0 0 0 0 0 2110.23904 0 0 3985.911784 1572.73873 0 0 0 0 0 0 0 2521.687128 2826.933196 4846.375051 3011.258719 GMP_M+0 13503.79941 5631.970724 5918.390173 14637.8724 15306.25687 3542.004425 2905.154721 4135.221846 1959.330987 1732.622943 1970.836185 0 0 0 4552.175106 2694.629008 0 0 0 0 0 0 14405.41901 5980.743082 6898.356502 12361.93098 4883.044037 10188.49486 7283.072964 10856.81806 5214.277404 6304.363079 8641.540527 8137.235734 0 1619.193058 1911.412008 1678.572544 1976.645874 0 2432.125 0 0 0 0 0 GMP_M+1 0 0 0 0 1695.673911 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1917.404181 0 0 1761.09687 0 0 0 1885.801888 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GMP_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1369.505685 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GMP_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GMP_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GMP_M+5 0 0 0 0 0 0 0 5894.7482 0 1405.168284 8553.60035 5626.387427 3463.574329 4505.641439 23614.57982 14419.14382 6905.714844 7425.792809 3942.042925 2352.923399 2866.853774 2791.698602 0 0 0 0 0 0 0 0 4000.388219 4792.33354 7220.969781 7571.747747 2486.910342 4424.068358 5427.724082 7611.662378 10579.51166 5451.405091 10451.4817 7337.497977 4328.963264 8755.720325 5435.269461 8836.828835 GMP_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4307.58235 2464.189579 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3851.658559 2043.794964 3533.846899 3109.66957 2003.082537 3353.908299 1738.078516 3534.878699 GMP_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1248.46182 0 0 0 0 0 0 0 GMP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GMP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GMP_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 p-Toluic acid-M+0 2828.945759 0 0 2245.546036 2964.584877 0 0 3119.704594 2391.324677 4555.837552 27379.1844 7044.640109 46306.80558 50522.42441 122875.0982 30118.97726 31160.4402 63252.79889 45092.33912 49599.88747 38937.0522 34508.45221 0 0 2473.624375 0 3840.451818 0 1714.579701 0 20754.02189 32180.89735 16099.79845 27097.46795 30635.15916 32870.48816 35357.7794 31289.81382 101104.7059 69516.14409 65360.76751 84469.39604 30022.88334 37921.34962 39105.5519 27394.95349 p-Toluic acid-M+1 0 0 0 0 0 0 0 0 0 0 2079.553412 2399.229429 6886.314881 0 0 5484.75759 0 0 13693.78402 5750.189668 3775.844141 17699.13021 0 0 0 0 0 0 0 0 1489.762023 0 0 0 2214.21264 0 0 0 1550.849336 6222.80859 2437.349747 10328.37756 2441.640399 0 7582.087316 2574.886487 p-Toluic acid-M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 p-Toluic acid-M+3 0 0 0 0 2232.553934 0 0 1434.046229 2870.38018 1577.800391 0 0 0 0 0 0 0 0 3308.979891 2935.112881 2079.679457 2653.12802 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 p-Toluic acid-M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3349.588814 0 0 0 p-Toluic acid-M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 p-Toluic acid-M+6 1202.875494 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1510.913262 0 0 0 0 0 0 0 0 0 0 0 0 1487.810988 0 0 0 0 0 0 0 0 0 0 0 p-Toluic acid-M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 p-Toluic acid-M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3728.605364 0 0 0 0 0 0 0 0 0 0 0 0 N-Acetylglucosamine 6-phosphate_M+0 0 0 0 0 1950.303737 2236.296274 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5532.572525 4132.740207 4382.062372 4391.052183 2482.316668 3464.244423 2204.18873 2811.063793 3171.16968 2457.928089 1412.7597 2284.324093 0 1799.761164 1334.894846 0 0 0 0 0 0 0 0 0 N-Acetylglucosamine 6-phosphate_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylglucosamine 6-phosphate_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylglucosamine 6-phosphate_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1426.70658 1797.963994 0 1318.631985 0 0 0 0 0 3254.491944 1451.211869 0 0 0 0 0 0 0 0 0 0 0 0 0 N-Acetylglucosamine 6-phosphate_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylglucosamine 6-phosphate_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylglucosamine 6-phosphate_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylglucosamine 6-phosphate_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylglucosamine 6-phosphate_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Threonic acid_M+0 13361.46286 9240.398023 13957.6678 9776.329612 5984.746558 7979.477947 11097.29114 0 0 1501.635615 0 0 0 0 0 0 0 0 0 0 0 0 23507.16559 29879.82289 28000.46323 26026.62483 14451.89784 20454.79083 14260.52362 15886.77932 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Threonic acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1597.259148 2099.55471 2172.986946 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Threonic acid_M+2 3767.807131 0 0 3074.32512 0 3836.326995 3881.462958 3280.451745 0 0 0 0 1842.241992 4864.318877 5233.879545 9664.146637 0 2863.261282 0 0 0 6292.876148 9193.4876 21186.26972 12368.02719 13318.46199 0 11358.09082 4340.526693 6192.070418 0 5552.837839 0 0 7629.031679 19759.54361 9489.837667 3129.268102 8225.718222 11128.73646 6347.630076 5633.205714 4625.721896 11595.27901 6235.418673 5641.641078 Threonic acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 1770.50623 0 2907.293354 1870.710024 0 1729.775477 0 0 0 0 0 1431.119673 0 0 0 0 0 0 0 1868.188818 0 0 2106.699853 3773.58599 3396.751051 2983.536691 5127.652971 4908.340645 4677.56571 3183.648938 0 1568.648867 2372.479065 0 Threonic acid_M+4 0 0 0 0 0 0 0 7034.548086 5155.213509 7387.592662 12983.78414 12252.57002 19942.19892 17114.14699 36210.32995 15408.09086 15466.38292 21410.90568 18460.60765 18592.44002 17034.62157 14254.66529 0 0 0 0 1908.856655 0 0 0 22870.73792 19890.79019 17113.02303 16111.98062 18210.16417 26582.91156 31159.13103 29507.34434 79546.60146 59888.12969 63447.27458 55054.49233 35585.85952 31328.85812 34091.78744 37840.80866 AMP or dGMP_M+0 82554.91392 25930.75428 43029.10265 114268.3895 147409.5386 29867.60989 25950.88639 64523.15063 25665.80501 20102.4893 34489.42698 16524.3599 11512.71209 15399.52438 42589.065 24103.82342 10577.18836 7780.914036 0 0 0 0 121699.3853 46510.86909 46260.2927 111374.4684 35872.69233 104219.6261 75010.36393 111281.4765 18499.7933 77960.83765 90956.56871 89935.73604 9316.994603 18882.78484 25806.04071 34626.90403 22742.64369 12234.51862 24618.11476 17276.59928 0 0 0 0 AMP or dGMP_M+1 11410.08314 3396.097322 4836.737446 14596.6974 19290.9128 4282.231303 3422.281768 7477.273802 3624.742271 2479.306607 4906.04798 2673.019894 1863.158675 2496.678595 6936.907816 3706.580139 0 0 0 0 0 0 16372.31094 6181.609957 5254.311755 14672.46845 5489.461584 13863.92699 10581.7761 14228.19141 5454.291646 11300.91977 13164.73778 6505.397541 0 2854.741076 4070.570459 4687.794128 4439.203338 2138.415761 3454.320578 3753.216243 0 0 0 0 AMP or dGMP_M+2 1502.257056 0 0 1659.787432 3472.990522 0 0 3022.345042 0 0 2574.975186 1760.949479 1776.516187 0 10785.52004 7084.266467 3184.641466 1961.498944 0 0 0 0 2821.991763 0 0 2351.497408 0 2051.052461 1771.407664 2108.489953 0 3527.414004 3633.822975 4143.965276 0 1847.886301 2280.588662 2570.272302 4354.804106 2429.507982 4144.727985 2541.739168 0 0 0 0 AMP or dGMP_M+3 0 0 0 0 0 0 0 1630.380163 0 0 3651.47839 1202.301153 1325.229151 0 12450.52022 7330.829466 4610.445284 2049.353377 0 0 0 0 0 0 0 0 0 0 0 0 0 1539.483022 0 3288.628229 0 2135.870252 2002.552008 1658.601574 5166.53787 1703.746327 5891.673933 4031.922675 0 0 0 0 AMP or dGMP_M+4 0 0 0 0 0 0 0 2054.725239 1658.596452 2033.953149 4141.087019 2493.027284 0 1579.934139 10440.80851 7143.307203 3109.978596 2640.958203 2629.69399 0 2108.76254 1870.200408 0 0 0 0 0 0 0 0 0 0 0 5624.372293 0 0 3397.114234 4735.83746 7690.679459 3623.809319 6595.497899 0 2678.148074 4796.825267 2099.671089 4563.589114 AMP or dGMP_M+5 0 0 0 0 0 0 0 30256.59405 12035.49485 9089.319937 52438.90391 26499.09317 17121.45105 25099.64695 171573.7814 102982.3963 44171.94539 27918.33701 48963.87041 13896.68597 37657.17183 30654.52851 0 0 0 0 0 2849.391449 0 3383.630587 20757.62741 36355.15247 43903.82055 44571.27084 15957.93628 28609.86852 41360.17141 54222.45895 94468.16724 40562.60413 86343.86709 67514.78964 45990.28167 88624.05041 49682.50559 81890.76663 AMP or dGMP_M+6 0 0 0 0 0 0 0 2328.715716 0 0 6912.850063 3710.393879 2001.313097 3972.345296 29208.41109 17464.11862 7109.146801 4514.6263 9651.601142 2611.902445 7469.881103 5825.475412 0 0 0 0 0 0 0 0 0 5136.494139 6359.502069 5679.679063 0 6294.696461 8193.523984 11681.31035 31465.10419 14058.1116 25501.02389 22691.64424 16913.72956 30886.51546 17739.4907 29060.27487 AMP or dGMP_M+7 0 0 0 0 0 0 0 0 0 0 1725.873383 0 0 0 3767.058694 3461.417159 1344.718292 0 0 0 2257.473486 0 0 0 0 0 0 0 0 0 0 1444.884715 1573.117835 0 0 1399.404337 2152.428663 0 10313.75275 5071.953795 8050.106446 7163.637539 5460.421361 10657.22655 5892.2755 8642.638015 AMP or dGMP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2981.560656 0 0 0 0 1826.994039 1438.485009 2477.492824 AMP or dGMP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 AMP or dGMP_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6-Hydroxynicotinic acid_M+0 2522.17209 0 5280.550128 0 0 0 3609.47395 0 3369.900296 2534.700576 2454.619196 0 4055.628845 4077.401573 0 3883.122659 5741.554043 4254.782194 0 0 0 4218.847284 3247.293467 4647.036234 5274.939289 3981.152064 0 1772.892254 2469.301526 0 0 0 0 0 0 0 2889.636525 0 2206.758404 4824.498069 0 0 5781.409289 3609.196709 6349.114418 6320.286432 6-Hydroxynicotinic acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6-Hydroxynicotinic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6-Hydroxynicotinic acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1403.786133 0 1610.763046 0 0 0 0 0 0 0 0 0 6-Hydroxynicotinic acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6-Hydroxynicotinic acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6-Hydroxynicotinic acid_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Valeric acid_M+0 0 6707.220208 7123.618707 5828.210332 11291.51696 9015.855764 7201.471691 8593.995395 5781.703252 10656.51862 4335.469126 6707.659882 0 9852.282477 11018.70691 9484.189175 0 16702.12305 16569.15933 11219.76739 12141.96942 7295.263874 0 5770.904297 8504.928512 4913.698245 0 9996.905846 3279.82093 9758.473935 0 0 0 0 4164.157038 8894.198045 0 2891.826539 2826.119992 8622.349264 19214.189 11523.59564 7387.957301 0 8216.616553 10692.74816 Valeric acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Valeric acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1791.034822 0 0 0 1650.637705 0 0 2925.937576 0 0 0 0 0 0 0 0 0 0 0 0 Valeric acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Valeric acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Valeric acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+_M+0 6303.974655 7267.715325 8564.106114 5669.318247 3633.330074 5210.601827 5864.223823 5003.160341 4045.601444 5357.974619 0 0 2578.461946 2719.719962 0 0 0 0 0 0 0 0 24986.4709 25895.93871 26272.38989 17732.985 24917.22694 22066.80455 16323.07605 15560.84604 17956.69383 14267.20463 11808.60795 13316.61319 3865.45754 5605.967849 6472.85644 4393.857184 0 0 0 0 0 0 0 0 NADP+_M+1 1702.735975 2522.393405 2068.19631 1919.550934 0 0 1630.58917 0 1270.813061 0 0 0 0 0 0 0 0 0 0 0 0 0 5999.77334 6759.080849 7272.86325 3830.622434 6484.793495 5978.034531 2053.980367 3973.81653 4129.851932 2748.061689 3788.571437 1773.38483 0 0 0 0 0 0 0 0 0 0 0 0 NADP+_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+_M+5 0 0 0 0 0 0 0 0 0 0 0 1782.163913 2913.365097 2002.864521 3057.996533 0 0 2047.235062 0 0 0 0 0 0 0 0 0 0 0 0 7251.732417 3739.832174 4489.02649 3220.371536 7346.097449 10505.07796 7489.239217 7693.182902 9062.417164 5625.482834 5194.98053 7038.845359 0 0 0 0 NADP+_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1811.682186 1813.825556 1575.851453 0 1918.648426 0 0 0 0 0 0 0 NADP+_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1548.548708 0 0 0 0 0 0 NADP+_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2593.062578 0 0 0 0 0 0 0 NADP+_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1911.003611 0 0 0 0 0 0 NADP+_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 2189.138396 7108.759152 5720.344627 3978.381598 5083.930217 5450.593514 4418.271858 6435.632617 3212.628998 0 0 0 0 0 0 0 0 1894.528562 0 0 0 5487.301279 7683.811589 5890.644875 5427.506689 19393.72996 12367.44955 7375.506131 11113.68642 12419.55386 15193.56908 17953.87322 16201.45901 NADP+_M+11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1753.786626 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1777.062222 2533.918935 1414.113262 0 7232.125262 3720.487381 3082.098423 4260.314002 5878.372516 5394.422364 5862.797577 4718.521223 NADP+_M+12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2498.954228 1659.232868 0 0 2020.799072 0 1589.404497 0 NADP+_M+13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+_M+14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+_M+15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+_M+16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+_M+17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+_M+18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+_M+19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+_M+20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+_M+21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Dihydroorotic acid_M+0 5069.056817 4287.348179 2685.952815 5942.728289 6231.069774 0 0 3197.554096 0 0 8931.386604 0 0 6251.541294 5505.213676 3918.010246 0 2190.216352 0 0 0 0 6315.505776 7338.61914 0 8924.971246 8314.431036 13610.93683 7744.945291 5899.698673 0 3154.761172 8114.118348 4408.128942 7481.753444 5611.074644 0 5804.244568 4941.743636 4977.177063 5952.444477 5656.739364 0 8935.256754 8828.791545 6110.223857 Dihydroorotic acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Dihydroorotic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Dihydroorotic acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Dihydroorotic acid_M+4 0 0 0 0 0 0 0 0 0 1833.520224 0 0 0 0 2093.61043 0 0 0 0 0 0 4052.117387 0 0 0 0 0 0 0 0 0 1699.788652 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Dihydroorotic acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5-Aminoimidazole-4-carboxamide ribotide_M+0 0 2251.395015 2713.118098 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1358.564907 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5-Aminoimidazole-4-carboxamide ribotide_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5-Aminoimidazole-4-carboxamide ribotide_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5-Aminoimidazole-4-carboxamide ribotide_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5-Aminoimidazole-4-carboxamide ribotide_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5-Aminoimidazole-4-carboxamide ribotide_M+5 0 0 0 0 1948.792616 0 1553.907495 1950.670794 1540.467568 1345.031672 1584.913785 0 1790.302735 0 0 1975.447176 1666.973697 0 0 0 0 0 0 0 0 0 2781.817908 2704.88623 0 3494.428016 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5-Aminoimidazole-4-carboxamide ribotide_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5-Aminoimidazole-4-carboxamide ribotide_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5-Aminoimidazole-4-carboxamide ribotide_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5-Aminoimidazole-4-carboxamide ribotide_M+9 0 0 0 0 0 0 0 0 0 0 2073.280683 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5-Oxoproline_M+0 288363.7383 263757.4114 270362.6525 282894.6812 190930.7466 209725.5477 215471.6082 271175.4095 214814.1395 304035.7903 335337.5891 318741.7577 448850.8096 418968.1665 540350.7693 348216.6217 323197.6918 437473.4124 188074.302 210882.6295 174394.8712 171207.644 421018.7209 415461.8792 375542.8011 419208.3099 336292.081 339210.6471 289762.955 313287.7056 445532.6457 382622.5889 270736.8313 352202.5522 345491.6292 493740.7279 409183.9829 395254.5748 841134.2688 700907.4672 650214.2009 627757.5217 385993.496 401969.2267 417595.1623 465233.7734 5-Oxoproline_M+1 14769.55543 12872.21834 15263.28738 14118.89221 11535.95791 10987.30125 10870.02775 14397.75061 11966.50398 18588.12602 15552.75901 15954.29568 21139.56832 19066.91945 21335.95356 18987.56779 13562.95705 19776.10474 10752.48883 9950.62809 8456.059524 5963.348427 25161.64854 23145.33391 20195.01889 21169.84081 19880.02329 17782.00521 16200.81416 17704.73498 25093.97411 19522.73447 14984.79661 20606.55476 15145.39918 26693.38961 20242.95638 16858.53241 46447.14721 34742.21658 36764.11795 28711.36973 22323.79465 24685.09458 24634.09308 25634.20605 5-Oxoproline_M+2 0 1695.206848 0 2686.285267 0 1767.921219 0 3233.513622 2223.064781 3981.860736 5322.771464 0 6755.59845 6125.410012 9626.925975 0 0 0 0 3743.624974 3570.553864 3046.811255 3534.909746 3905.792894 3264.102638 3344.696778 2627.179252 3239.546103 2594.734554 2571.910015 5544.478692 4767.623041 3220.953745 4660.489204 5167.147297 7197.473436 7954.013345 8004.983863 31610.28042 24127.18551 24309.15521 21522.98004 9098.227434 11335.37459 11356.77012 11637.47392 5-Oxoproline_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2171.344221 0 0 0 0 0 0 0 5-Oxoproline_M+4 0 23442.66784 4267.132851 0 0 0 0 0 0 0 0 0 0 22110.9202 1703.837359 28159.52211 3784.823577 0 0 0 8593.966603 0 5737.115346 0 0 0 0 0 0 0 0 0 17309.89388 0 0 20700.26442 5083.838718 0 6318.138001 2068.257233 3785.060693 2977.565283 0 2216.466364 12278.39233 5466.138394 5-Oxoproline_M+5 0 3759.249111 2057.504143 0 0 0 0 0 0 4514.037473 0 0 0 0 0 4600.673369 0 0 0 3048.614945 0 0 6919.577103 0 0 2804.584995 0 0 0 9922.91959 3393.240314 15770.06174 0 0 3917.331989 9792.861071 0 0 0 0 0 0 2554.602232 0 5815.286936 4131.158873 3@4-Methyl-2-oxovaleric acid_M+0 52095.03953 34947.1529 33772.36761 46089.24072 34228.72255 26439.22031 25369.00992 47808.5149 37726.97997 38317.45134 64198.52591 62324.0777 80374.3671 73522.23916 205428.6511 89867.02386 78640.43237 121313.8979 46205.14728 49241.50359 34521.32538 33616.5347 49179.87198 38431.10169 36274.81886 46851.59268 39508.16394 30878.34107 26989.22598 27730.45962 66261.40054 41661.04874 33892.04542 56872.04938 64512.58204 87051.46732 78358.28043 69730.47313 135792.0265 127688.4323 117853.529 111627.9083 48498.70761 50482.88471 54650.16149 55762.02716 3@4-Methyl-2-oxovaleric acid_M+1 4547.380081 3965.110813 3834.359946 4033.377772 0 0 0 3899.561524 3061.866507 3051.762095 5591.50884 0 6294.269741 6298.188983 18519.37912 6676.485179 6180.228526 9569.85509 4802.795139 0 0 0 4832.803591 2976.502476 173.7115024 3718.01152 3903.404999 1939.580604 0 0 4938.384573 4084.389878 0 5301.291631 5301.315168 7127.203169 6880.615571 7144.077708 9921.855017 10178.98218 7218.863714 8296.714357 3393.458511 0 5571.412426 4402.486096 3@4-Methyl-2-oxovaleric acid_M+2 0 0 2392.525792 3389.696447 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5607.008294 0 0 0 0 2708.691393 0 0 0 1987.633768 3130.562419 0 3911.213962 0 0 0 0 0 3582.784811 7502.25811 0 3224.272709 0 0 4016.383593 0 0 3@4-Methyl-2-oxovaleric acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 22315.01677 2463.315855 0 0 0 0 1152.997985 0 0 0 0 0 0 0 0 2153.919079 0 4477.873602 33337.77546 0 0 0 0 0 1664.001708 0 0 1567.485872 0 0 3617.862281 3@4-Methyl-2-oxovaleric acid_M+4 5862.91828 0 0 0 1840.987141 0 0 0 3537.477541 1394.886852 2659.39381 0 0 3103.40854 0 4065.825659 0 0 0 0 2461.466594 1779.801979 5056.541385 0 1570.596548 5288.756659 0 0 0 0 4114.03644 1227.846842 0 1560.008597 5562.748736 1715.87128 0 0 0 0 0 0 0 0 0 0 3@4-Methyl-2-oxovaleric acid_M+5 0 0 0 0 1798.096304 0 0 0 0 5798.159683 0 0 0 0 0 0 2941.768701 0 0 0 4374.538242 3381.456297 2129.177049 0 2035.660001 3153.982046 0 1231.984502 0 3043.690085 1937.755447 0 5313.525318 0 0 0 6802.015757 0 0 0 0 0 0 1719.308693 0 0 3@4-Methyl-2-oxovaleric acid_M+6 0 0 0 0 0 0 0 0 0 2190.21803 4140.699729 0 0 1233.871283 0 2390.832812 0 0 0 0 5196.831416 0 0 0 0 0 0 0 0 0 0 0 0 3985.911784 0 3041.622607 1282.496273 0 5247.481198 0 2279.993586 1741.09942 0 0 4846.375051 3011.258719 IMP_M+0 5669.840298 4665.995567 5842.251711 5352.538513 0 2588.877755 0 0 0 0 0 1606.036132 3150.768852 2534.209876 3131.939898 4828.525003 4411.967456 3796.884383 2438.395994 0 0 0 5410.517644 4113.753358 3746.623419 3603.166757 0 0 0 0 0 3608.807801 0 6663.480028 0 0 3016.273564 0 0 2379.388052 0 0 1805.069819 4088.059685 0 0 IMP_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 IMP_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 IMP_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 IMP_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 IMP_M+5 0 0 0 0 4138.50143 3279.72921 2634.367598 4538.780245 3001.384702 4158.336855 2679.079299 3324.788843 4784.232534 3989.103535 6025.294913 4326.296623 2832.411209 2941.559886 2477.71367 1853.934123 2223.176082 2039.079293 0 0 0 0 3721.990732 4079.629863 2910.514244 4220.009183 1938.428579 0 1937.968556 2127.818198 2182.945373 2380.819455 1704.206915 1883.570077 1562.202555 0 2017.009907 1715.290857 0 0 0 1731.160572 IMP_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 IMP_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 IMP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 IMP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 IMP_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTMP_M+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTMP_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1604.85916 0 0 0 0 dTMP_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTMP_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTMP_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTMP_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2193.949494 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTMP_M+6 0 0 0 0 0 0 0 0 0 0 0 0 1857.945942 0 0 0 0 0 0 3264.39025 0 0 0 0 0 0 0 0 0 0 0 0 1535.703474 0 0 0 0 0 5381.736472 4111.661807 0 0 0 0 0 0 dTMP_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTMP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTMP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTMP_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-Hydroxybutyric acid_M+0 4313.389562 0 0 0 4381.514369 0 0 0 0 0 0 0 12237.0642 0 7409.143318 0 5748.080636 0 0 0 5840.857004 0 0 0 5555.651515 0 23337.41115 0 0 0 25251.4545 0 0 31771.05504 0 0 0 0 0 0 0 0 0 0 0 0 3-Hydroxybutyric acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1839.047584 0 0 2604.912743 0 0 0 0 0 0 0 0 0 0 0 0 3-Hydroxybutyric acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-Hydroxybutyric acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-Hydroxybutyric acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylglucosamine 1-phosphate_M+0 4424.903736 4872.226374 4612.217795 4264.08695 4446.701443 8855.561569 7640.615644 0 3061.685205 2786.594829 0 0 1654.448372 0 0 0 0 0 0 0 0 0 9766.067967 7821.783177 10425.9129 12050.18552 8677.846908 7742.949725 7127.131828 6830.205635 8547.942087 7161.016061 4502.313414 5543.998377 5055.421774 4898.230235 4367.56276 4516.537336 3661.650095 3419.297876 2999.032612 3117.203355 0 0 0 0 N-Acetylglucosamine 1-phosphate_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylglucosamine 1-phosphate_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylglucosamine 1-phosphate_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2787.907165 1211.176092 3254.491944 1451.211869 0 0 0 0 0 0 0 0 0 0 0 0 0 N-Acetylglucosamine 1-phosphate_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylglucosamine 1-phosphate_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylglucosamine 1-phosphate_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3190.892008 0 0 0 0 2307.452388 0 0 0 0 0 0 0 0 0 0 0 0 2554.09158 0 0 0 0 0 0 0 0 0 0 0 0 N-Acetylglucosamine 1-phosphate_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylglucosamine 1-phosphate_M+8 0 0 0 0 0 0 0 0 1467.993674 0 1800.080286 2207.043912 4189.963104 3731.313909 6152.700505 3468.846032 3228.439779 4856.708865 2300.029563 0 1737.314925 1507.748435 0 0 0 0 0 0 0 0 0 0 0 0 0 2094.223069 0 2350.388427 7798.213726 0 5759.52651 5185.713281 0 3396.725642 0 0 CMP_M+0 8900.920261 1822.791478 3928.079827 15165.95678 13890.27459 1871.605296 2264.825863 7750.477522 0 0 4392.405968 1964.87551 0 1472.352307 7297.379529 4016.215444 1988.03483 1523.812904 0 0 0 0 13918.26603 5092.630106 5885.465116 12535.70716 7856.946987 12251.31057 9107.095784 15294.63447 12389.41264 12736.59882 12938.15673 19198.84655 0 3037.081161 4239.24194 5865.408067 3307.88154 1642.178372 4491.06119 3379.859416 0 0 0 0 CMP_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1410.597662 0 0 1543.860251 1920.087281 0 0 0 0 0 0 0 0 0 0 0 0 CMP_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1328.868043 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CMP_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CMP_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CMP_M+5 0 0 0 0 0 0 0 3230.787824 0 0 6689.901445 2816.545098 1959.902164 3114.875082 17363.32386 11745.55998 5492.090858 3667.274814 2772.050117 0 1938.93087 2364.471695 0 0 0 0 0 0 0 0 2522.198409 3912.00265 3180.63221 4556.163952 0 2899.932187 4927.527574 5487.544498 11553.81476 4312.477196 10583.13703 8548.105171 5671.551694 10789.66428 6637.379369 11180.07461 CMP_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1999.399452 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1798.809433 CMP_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1864.18503 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CMP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CMP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Sedoheptulose 7-phosphate_M+0 15949.54582 14110.06607 14969.94821 13290.36611 6683.040465 6081.133317 5501.860917 6124.071189 4717.764466 4377.817961 2710.971778 3639.331509 4900.963462 2807.514851 0 0 0 0 0 0 0 0 8364.299835 6380.152882 7704.574897 0 0 4487.142849 3438.056659 3252.415736 2091.894781 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Sedoheptulose 7-phosphate_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Sedoheptulose 7-phosphate_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Sedoheptulose 7-phosphate_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1488.336539 0 0 0 0 0 0 0 0 0 1829.27927 0 1560.732724 0 0 0 0 2238.269745 0 0 0 0 0 Sedoheptulose 7-phosphate_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Sedoheptulose 7-phosphate_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Sedoheptulose 7-phosphate_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3332.726255 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Sedoheptulose 7-phosphate_M+7 0 0 0 0 2895.206256 2308.621763 0 4917.362632 6099.474939 7025.176591 10424.9563 9824.218403 13615.21322 13035.59194 22210.82382 14628.08461 14964.34599 19757.28232 8638.453632 7441.64304 7236.702562 5241.011557 0 0 0 0 1868.375426 3499.036367 3517.65358 4275.712555 7087.564618 7607.305223 4479.299486 8340.04555 4999.283037 6057.92425 8071.406627 6733.053965 9081.287975 7434.106824 9047.32353 8248.360474 7397.958736 7590.92619 8131.458648 8918.885209 Glucose 6-phosphate_M+0 159440.7781 74000.70336 93554.14937 188705.1915 21637.48506 8653.05356 7041.171984 8943.237604 7099.171195 5587.433276 12348.72517 7632.659924 7818.656575 7241.618492 24798.11678 23281.8954 12423.68576 9218.532682 0 2082.969646 3357.863879 0 102739.9057 47646.91747 44819.86493 97412.86999 5436.700955 12076.73011 12225.74447 12229.32391 5669.695985 9664.634679 9950.700913 14050.10806 3290.756968 5844.568049 8734.717224 10311.68468 7189.938549 5450.573095 9859.659886 8503.627321 0 0 0 0 Glucose 6-phosphate_M+1 12273.19788 4539.064918 7633.024888 15251.67994 2189.814829 0 0 0 0 0 0 0 0 0 1519.893117 0 0 0 0 0 0 0 7577.266575 2726.394654 3631.520475 7314.752325 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucose 6-phosphate_M+2 5399.480967 0 4127.188256 5495.635965 0 0 0 0 0 0 0 0 0 0 3765.769383 1812.309129 0 0 0 0 0 0 0 0 2340.089711 4026.181452 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucose 6-phosphate_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2185.994612 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucose 6-phosphate_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucose 6-phosphate_M+5 0 0 0 0 9633.646741 3925.126774 2790.443442 3724.806089 3343.945419 2864.061795 6828.102469 4357.804689 3117.567722 3701.754428 12248.76372 11986.51804 5717.079004 3785.870271 3971.501479 1897.202346 2730.357919 2016.470916 0 0 0 0 2404.826443 4316.994034 3930.403426 4475.387666 2986.248388 5441.654183 6301.749432 7616.687095 1847.021543 1895.083614 3887.688916 4803.247158 3053.407197 2823.511298 4885.646059 3676.92843 2158.541197 4813.530753 2305.753891 5199.641394 Glucose 6-phosphate_M+6 0 0 0 0 218967.067 70998.70922 8189.698502 83192.52888 68303.64542 58312.29066 140630.1496 88389.25883 81894.27144 89955.23939 288614.6551 246936.6047 130566.8933 98356.72487 86238.87805 42070.083 61512.50221 54310.21033 0 0 0 0 44735.83718 85883.30661 83389.64588 118342.0057 65460.27613 107384.4756 132113.3197 163322.8497 35852.16024 53498.41995 82369.15533 108894.3918 79527.43496 53368.39403 103982.5001 89539.00768 59774.41348 108203.5652 61121.81803 108102.7852 UMP_M+0 84173.39056 67133.09172 78451.6703 99636.97141 57422.51326 24930.7182 39317.769 33340.49405 15597.62901 22213.25854 15229.89168 16241.38202 24619.17436 16840.19143 13842.81353 10394.53107 9722.38325 7575.063489 0 0 0 0 122462.8436 88352.54804 99885.40946 112616.3282 13187.32775 71902.45213 64372.09797 81164.22241 13412.24554 59193.72428 63557.50631 33664.55222 20793.89483 24416.59452 28908.00242 33289.89892 18067.91655 19255.2407 17177.51507 15373.86027 0 0 0 0 UMP_M+1 10396.4917 8043.540056 9976.677752 10729.11086 7167.536495 2343.228381 4857.912631 3933.323348 0 2956.431844 1562.221947 1862.662319 3981.33994 1784.511601 1755.70863 0 0 0 0 0 0 0 13139.83883 9685.132106 11593.13547 12415.23379 0 7772.952579 7481.090708 10608.40004 1778.973355 6670.760416 6708.36166 4010.976211 2948.46397 3018.168246 2611.755549 4780.965577 2633.035105 2839.480451 2400.215348 1775.433071 0 0 0 0 UMP_M+2 2448.806749 0 1593.875282 2741.564793 1613.335747 0 0 0 0 1698.857637 3084.886938 3719.013459 4995.696653 3875.768831 6167.04736 4939.094919 4023.170464 3503.047878 0 0 0 0 2862.132709 2529.301599 2680.368716 3024.404778 0 1823.956601 0 1828.018309 0 1896.828015 2922.066764 2132.079739 0 1793.84942 2596.322402 2458.773 3474.822559 4641.923008 3369.143624 4044.788701 0 0 0 0 UMP_M+3 0 0 0 0 0 0 0 1573.299793 0 0 2530.343056 3243.677787 5066.1648 2871.323173 5261.354139 5085.429529 3978.490001 3591.924178 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2221.312797 0 0 0 2165.171101 0 3230.885488 4214.131568 2110.325517 2573.860608 0 0 0 0 UMP_M+4 0 0 0 0 0 0 0 0 0 0 3211.664225 2575.827816 4076.16631 3807.682455 6415.370082 4330.954851 3022.950973 2922.921067 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2503.391374 3079.089967 1992.690813 6484.90491 5042.407869 4619.094655 4163.179619 2410.244802 3827.041445 2595.709781 4810.672307 UMP_M+5 0 0 0 0 2816.007022 0 0 30205.00952 14411.69878 18799.4907 47102.19322 47268.85397 72717.98124 58528.86346 81842.77246 64831.76492 50704.05993 49036.26938 19261.72875 14797.42837 16446.55994 12711.45586 0 0 0 0 0 1934.271175 1544.491087 2928.089331 8744.708048 29321.22994 34846.91629 20779.20919 21037.12326 32457.75913 39050.74411 47950.40199 84490.36486 77722.11657 69961.97171 61465.92552 51636.7064 103959.8743 99868.5457 111299.1515 UMP_M+6 0 0 0 0 0 0 0 0 0 0 7685.923568 5649.246294 11317.86533 8415.2843 14708.68428 8877.787106 7953.608332 6930.625782 0 0 5943.57292 0 0 0 0 0 0 0 0 0 0 0 2778.724667 0 0 4772.853772 3726.924471 3712.573506 12822.69865 11714.4987 9786.890229 9486.163053 8208.491082 15700.65751 15925.7552 16824.25037 UMP_M+7 0 0 0 0 0 0 0 0 0 0 4283.007824 4407.04928 8186.276772 5818.118255 12845.36924 6861.030867 5607.148786 4183.756081 5504.726355 3655.179254 4739.54422 3700.329427 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2164.783008 2832.584056 10360.68353 8735.426402 6414.633336 5296.138061 6166.050461 12020.88213 11998.16086 13585.50826 UMP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3581.563953 0 0 UMP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Hydroxybutyric acid_M+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17633.61078 0 0 23260.83592 0 0 0 0 0 7227.840293 0 0 0 1897.797583 0 0 2-Hydroxybutyric acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Hydroxybutyric acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Hydroxybutyric acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Hydroxybutyric acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Benzoic acid_M+0 13513.33932 11849.33471 11197.2583 0 6179.038534 11364.15436 10550.61606 10930.30586 8883.409874 8645.530907 7786.801585 9859.01752 14503.35044 10810.6982 8557.349225 0 11693.60953 0 9307.09769 6001.799486 7837.631113 12890.60857 10090.53241 13895.06417 14638.80456 10599.77489 0 21147.57868 12023.24918 0 16904.30075 15004.21194 21008.8054 15125.94292 11185.47366 9863.511671 10875.58353 7211.578167 9832.240029 15221.3362 0 12518.75047 0 12735.017 9355.624024 15442.09685 Benzoic acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1540.830904 0 2004.526272 1787.165967 0 0 2499.655569 0 0 0 0 0 0 0 0 0 0 0 2063.037032 0 0 0 0 0 0 Benzoic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Benzoic acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Benzoic acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Benzoic acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Benzoic acid_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Benzoic acid_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Butyric acid or Isobutyric acid_M+0 10956.7062 6555.69845 8000.485365 0 22348.60886 13052.62019 0 8526.864868 30362.84732 10521.43824 0 4203.049357 6035.873107 7853.764067 11665.86303 11366.9242 7951.467059 10533.54415 27332.33546 10927.80333 11680.46629 6969.600973 9476.686149 3399.763462 7662.142251 10017.96785 0 0 7317.975042 4228.717264 0 6203.075938 4364.21647 0 6158.121262 6874.138518 8142.449361 10881.26383 7670.232378 8181.234614 10209.5213 9683.571177 14489.08333 6831.673542 10184.91917 8543.598199 Butyric acid or Isobutyric acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Butyric acid or Isobutyric acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Butyric acid or Isobutyric acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Butyric acid or Isobutyric acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fructose 6-phosphate_M+0 23600.3318 8191.36757 11823.68366 34672.23515 3885.088104 0 0 0 0 0 0 1593.980719 0 0 5772.735277 3946.416702 0 0 0 2082.969646 0 0 20613.95287 8050.806042 9041.561519 17015.60552 6142.607812 2425.535832 2250.083399 2971.857631 0 0 1959.115579 2412.690247 0 0 1827.421549 2071.708032 0 0 1767.683103 0 0 0 0 0 Fructose 6-phosphate_M+1 2273.290532 0 0 2010.986784 0 0 0 0 0 0 0 0 0 0 1519.893117 0 0 0 0 0 0 0 0 0 0 1587.369623 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fructose 6-phosphate_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3765.769383 1812.309129 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fructose 6-phosphate_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2185.994612 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fructose 6-phosphate_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fructose 6-phosphate_M+5 0 0 0 0 1506.821312 3925.126774 0 0 0 0 0 0 0 0 2925.595662 1802.371616 0 0 0 0 0 2016.470916 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fructose 6-phosphate_M+6 0 0 0 0 40897.65832 8838.887753 8010.799915 13340.59879 9599.083902 8609.908519 20837.12189 11668.69595 10400.31027 11951.1999 57927.20871 45187.35681 14389.71551 14433.81949 14170.1322 7018.345297 10707.15386 6444.095434 0 0 0 0 6519.935855 18208.08672 15034.35875 21107.56772 16636.52286 18260.2257 23561.90142 33821.81282 5087.92617 7007.177727 12249.51871 18539.73548 15056.03081 9802.591213 19500.51665 15242.04097 8403.395426 16612.85617 12859.30064 18966.99343 Glucose 1-phosphate_M+0 23313.07282 17838.32506 17701.41981 21904.01522 9974.715188 9045.402196 6464.242695 3108.117818 3135.845781 2587.476719 0 1779.226173 2279.685364 2888.169019 5153.161307 3301.608301 2788.886342 0 0 2082.969646 3357.863879 0 19051.92431 13895.91846 22303.6148 21693.24989 13927.71036 17977.32606 12492.82768 14279.09105 2720.256663 3295.619208 3638.36318 3067.069868 2247.540305 2841.327756 3501.342266 2301.157393 3297.182052 2999.76589 2759.795352 2883.153383 0 0 0 0 Glucose 1-phosphate_M+1 0 0 0 1916.002173 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucose 1-phosphate_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3765.769383 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucose 1-phosphate_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucose 1-phosphate_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucose 1-phosphate_M+5 0 0 0 0 0 0 0 0 3343.945419 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2267.854612 Glucose 1-phosphate_M+6 0 0 0 0 11397.42522 7431.039971 6239.28947 17216.91939 12802.71874 12605.61374 16577.66228 14295.73881 19926.88506 17648.28607 45624.19576 27865.57477 20585.18465 20480.61281 12786.48451 10330.67845 12464.58751 8377.611986 0 0 0 0 6615.094727 10811.49388 9417.727565 10039.02819 17533.3067 20029.11966 19442.24576 21695.74223 19442.63098 19899.42606 20313.77251 24142.24388 23155.68677 23689.17903 19668.46602 20680.85071 36598.07526 44394.97193 54127.05898 62588.06042 Glyceric acid_M+0 4421.309166 0 6745.781749 0 4932.243 7153.889717 0 0 0 6919.316274 0 0 5145.919504 0 0 0 0 0 0 0 0 7128.899318 6133.043337 8436.180054 0 0 0 5343.064133 3404.975397 0 0 0 0 0 0 0 0 0 0 4515.230095 3196.361136 0 0 6128.316643 4595.204448 5138.891517 Glyceric acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glyceric acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glyceric acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2717.82052 2254.517158 0 0 2209.312672 1845.262578 0 1637.636979 3246.54949 2333.937441 2224.338703 2471.382617 0 0 0 0 Ribose 5-phosphate_M+0 3361.22873 3665.48597 3476.808806 2605.922474 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9954.443273 5857.791589 4195.880677 4994.351877 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ribose 5-phosphate_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ribose 5-phosphate_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ribose 5-phosphate_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ribose 5-phosphate_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ribose 5-phosphate_M+5 0 0 0 0 2490.608728 2088.108985 2209.66329 14940.81682 1994.176326 0 3929.611417 3525.885421 4992.784581 3519.412429 2608.506981 2386.573854 3137.768838 2404.760976 6253.352005 5270.540454 5751.812623 4572.315568 0 0 0 0 10896.89104 6753.643302 5088.418314 4600.333547 14271.43917 6289.742542 5070.295601 17526.21208 2301.771722 5022.175391 3253.697972 4119.676076 7086.013669 10109.76573 4318.574365 6228.155218 6662.132142 8734.440498 6669.38447 10809.89385 CoA_divalent_M+0 15221.52715 13362.60533 14373.42708 15127.74655 11241.38056 10681.39511 4602.5316 13279.375 11091.585 10763.07102 4995.299207 5946.256947 6707.833826 5229.750513 7164.848086 4657.321717 0 4357.503924 0 0 0 0 33673.07297 12943.60512 25148.22329 19269.88384 33368.74885 38268.12888 36814.10556 36501.90173 41066.76563 32011.32516 32041.58923 31037.16457 10096.96948 15116.34996 15095.51634 19362.96304 2911.642523 3187.960389 8964.24302 6602.496584 0 0 0 0 CoA_divalent_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2310.892859 0 3166.858242 0 3813.637467 3447.17579 4097.850384 3714.391874 2951.081543 3543.00045 4397.650493 3143.953975 1773.884997 1545.418543 0 2058.152891 0 0 0 0 0 0 0 0 CoA_divalent_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2111.566447 0 0 0 0 CoA_divalent_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4215.005876 3690.554156 0 3601.925995 2461.033757 0 0 0 0 0 0 0 0 0 0 0 2996.566819 1623.256107 1836.956565 0 3250.761789 6246.393534 5260.162847 7952.892143 6871.640832 6793.074622 11944.11997 11990.97806 13833.89817 9699.928158 11913.69695 6254.122144 CoA_divalent_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1636.786135 0 0 0 CoA_divalent_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CoA_divalent_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CoA_divalent_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CoA_divalent_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CoA_divalent_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CoA_divalent_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CoA_divalent_M+11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CoA_divalent_M+12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CoA_divalent_M+13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CoA_divalent_M+14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CoA_divalent_M+15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CoA_divalent_M+16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CoA_divalent_M+17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CoA_divalent_M+18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CoA_divalent_M+19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CoA_divalent_M+20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CoA_divalent_M+21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GDP_M+0 111834.7707 68867.07777 80288.89815 127298.9676 103620.8915 60395.74758 49573.62502 49720.77888 30062.3769 28378.02874 19701.28502 14806.84387 17653.58775 17893.07649 25220.208 15439.2012 9965.071976 12179.30165 0 0 0 0 141610.529 88432.60856 87314.80595 114816.6645 74026.41815 116044.5849 96497.16933 110576.2758 55075.75905 65057.4013 61235.82783 56051.49237 18247.12878 22810.02378 27246.3875 24064.29268 17288.16275 12551.30434 15141.87677 14414.61483 0 0 0 0 GDP_M+1 15648.13743 8487.370317 10425.17625 14321.34239 13640.53092 7196.949109 7831.108466 6684.937463 3767.898137 4266.706062 1271.767259 0 0 2264.034471 2535.67788 0 0 0 0 0 0 0 19706.34469 12628.06793 11387.23209 15397.32985 10570.3707 16790.25247 13823.66022 14535.26643 7225.683239 10658.35947 7873.614967 8466.182227 2451.343768 2269.353826 0 5237.394519 0 0 0 0 0 0 0 0 GDP_M+2 0 0 0 2567.998488 2006.434963 0 0 4017.048364 2011.713777 0 4647.824149 2623.145055 4024.572684 0 8275.89619 6287.326903 5007.112084 4067.816512 0 0 0 0 0 2679.149105 0 1975.178163 0 2069.64479 3606.823643 0 0 2990.034749 2560.580031 0 0 0 3756.46531 4349.312036 3065.710731 0 2088.984413 4806.309394 0 0 0 0 GDP_M+3 0 0 0 0 0 0 0 4162.035507 0 0 0 5412.022579 5276.828138 0 11295.26107 9231.196076 5977.384905 0 0 1664.764298 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6899.645075 0 3723.390019 0 0 9556.580081 7686.759546 0 0 0 0 GDP_M+4 0 0 0 0 0 0 0 2357.434233 0 0 3640.780248 2424.361473 4515.749636 2835.1793 8584.447733 5037.621699 1949.005607 4253.105924 0 0 0 0 0 0 0 0 0 0 0 0 2324.877032 0 0 2433.241802 2181.421978 2009.151169 4890.409689 3573.605236 2680.890876 4478.516883 8329.702703 5525.261869 0 2290.918877 2228.107462 0 GDP_M+5 0 0 0 0 0 0 2395.84743 63743.90303 28515.75015 35488.13711 75617.10609 54596.17947 68306.96429 68885.62829 140775.0878 96104.03034 63890.16183 66918.14711 56116.05592 35753.87757 50601.21133 39561.39794 0 0 0 0 0 4046.656216 3346.266075 3902.27292 46332.0454 52649.01641 50214.15603 46247.11466 37081.02423 56861.63616 69888.59156 68205.40273 53466.69257 54813.25807 90980.22434 80874.85891 64038.60616 67015.65804 52974.99603 70328.26232 GDP_M+6 0 0 0 0 0 0 0 4569.752561 2683.119599 3577.982313 10769.78715 8400.905558 7624.724842 9120.587264 27492.999 17333.5834 12132.57922 11119.84569 11154.33207 6432.458401 9567.030264 7090.690866 0 0 0 0 0 0 0 0 8118.782155 9276.763524 8554.413772 8108.804284 9923.791987 14536.95166 18116.53278 10922.68276 47575.03749 25535.89278 37807.02692 33513.56152 25331.94284 25141.14422 20767.91784 24299.34557 GDP_M+7 0 0 0 0 0 0 0 0 0 0 2155.323445 0 0 0 4880.262931 2100.64988 2662.434307 0 1988.546832 0 2201.48046 1620.296714 0 0 0 0 0 0 0 0 2640.79792 2043.34028 0 2599.311325 0 0 1244.642511 5322.367533 16336.15303 5845.540986 12958.2366 12664.36575 2348.671588 8002.430489 7081.965897 9220.587539 GDP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2581.855133 0 0 0 0 0 0 0 GDP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GDP_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Lactic acid_M+0 2654985.191 2022424.069 2414123.516 2481935.458 393761.6881 368577.1924 305801.6163 395646.3913 494025.1547 303436.0485 365819.2578 380760.9806 596500.9218 498822.807 999692.9228 518500.1916 469210.2951 804054.459 234420.9295 250570.6053 242662.0153 614670.55 3426899.24 3407933.593 3144380.37 3606991.655 1136110.336 680340.5348 465402.6761 388239.7716 1064361.764 479045.3417 404152.4887 1300005.849 629830.8577 1126594.017 763295.8222 597121.704 1286055.81 1406160.991 1111473.65 969631.461 216927.3459 350514.0419 259345.8058 405580.3007 Lactic acid_M+1 96443.21465 71090.61661 84215.79247 80927.98643 19328.45143 17558.10458 15258.585 19696.58744 22002.46025 16283.54108 22971.11297 23670.90326 38769.87178 31959.76048 71975.10474 35842.14426 32077.28475 54218.67276 16083.48103 13413.76714 12999.41436 26022.29228 115250.2484 114120.8699 108576.3241 122806.9034 42707.37027 33025.83045 22069.73195 20838.46522 44770.7246 26321.525 23972.39381 53847.8885 33645.02293 58971.13559 45989.00379 41440.80849 99561.35307 103598.6922 83607.55188 74515.21176 16490.2355 20442.93697 19664.10267 24800.96206 Lactic acid_M+2 18794.69684 13256.78614 16608.68152 18216.94627 28512.15814 30748.61143 30807.86007 52231.06859 41051.27573 41624.9499 64935.37997 69680.3439 94519.19967 84350.78979 220457.9913 101675.9692 85180.2942 148760.9812 38815.44782 38898.72511 39195.38557 31099.10658 23121.87463 21368.79869 20044.94177 24419.78871 37023.58416 47382.24745 46587.03018 51486.1703 67934.44621 77620.9349 67635.63243 47872.80691 79833.26175 106320.4947 117688.0072 106150.2858 315017.3631 256102.7204 243989.4833 211773.3355 92082.34278 100949.0243 103955.2609 113329.2065 Lactic acid_M+3 0 0 0 0 1097576.821 1210141.524 1223511.174 2292063.563 1742139.837 1906762.945 2795973.766 2939758.515 4126557.61 3915261.246 9191136.733 4465501.765 3729329.947 6389837.384 1610180.718 1722219.602 1615942.148 1175025.942 0 0 5840.593328 0 1425309.087 2017997.651 2018257.396 2223621.023 2868364.098 3633209.801 2901214.762 1704157.28 3385758.705 4426264.461 4969400.515 4750538.426 13185811.53 10203259.41 9721239.078 8829765.441 4591526.843 4723156.994 4689879.767 5273906.371 Propionic acid_M+0 0 13284.68178 9761.731767 10059.91841 22830.17751 19797.49349 0 18076.81247 20201.93894 26343.35101 14201.83599 15786.14016 13876.94311 19510.99471 26343.86706 22256.44581 26837.21906 27780.91929 24878.35653 18984.96416 20473.65153 23227.54168 0 17534.2664 0 17168.85442 0 12418.30459 0 0 0 27908.87243 0 0 20430.71495 22873.56177 20463.65201 27704.8183 34525.67384 25369.01003 31744.47704 25602.55349 23555.56163 19935.68389 19678.68019 26268.58578 Propionic acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Propionic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Propionic acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Xylulose 5-phosphate_M+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3363.470743 0 2490.030859 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Xylulose 5-phosphate_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Xylulose 5-phosphate_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Xylulose 5-phosphate_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Xylulose 5-phosphate_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Xylulose 5-phosphate_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17393.78469 0 0 1501.200408 0 2472.801445 2531.495922 0 1978.265012 1898.620725 1677.60272 0 2362.819586 2-Deoxyribose 1-phosphate_M+0 0 0 2298.580524 4119.073247 0 2288.902948 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4344.472657 8462.050048 0 0 4973.439523 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2134.665001 2-Deoxyribose 1-phosphate_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Deoxyribose 1-phosphate_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Deoxyribose 1-phosphate_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1313.739846 0 0 0 0 2-Deoxyribose 1-phosphate_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2299.937143 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2-Deoxyribose 1-phosphate_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6431.455405 6678.902385 6115.804694 5490.91283 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1762.812906 0 2108.215503 0 0 0 0 0 0 ADP_M+0 555359.1145 312534.0899 400105.924 606380.7673 538530.1147 287948.7998 266426.066 388826.7916 246403.8882 239750.2618 180502.3788 139643.6886 147690.8469 155170.9523 188833.5649 110184.4362 75549.20282 86904.12835 0 0 0 5778.463767 780705.2696 453553.4009 491151.2048 672658.0188 395167.9458 695837.543 512695.7466 621167.5421 379403.6848 490467.3018 507662.1512 423789.744 120626.8168 182623.7924 225223.6588 222016.1623 147903.3945 103147.7565 128941.0056 122107.333 0 0 0 0 ADP_M+1 71769.12492 41541.26363 51293.54098 79768.83226 70163.64203 39473.91076 36180.05447 50206.30788 32763.79495 33765.0245 25925.02584 20931.06923 21279.226 22028.75298 30651.52737 18545.44135 12390.58603 14857.64353 0 0 0 0 98870.38907 59466.93453 65378.13239 83570.01822 50565.34169 89474.46374 68738.46061 79335.70832 50527.83463 66746.86369 70929.25014 57192.43642 17650.05238 28843.21805 32731.03282 34462.02845 27244.96984 23092.61866 25207.97995 24520.74153 0 0 0 0 ADP_M+2 15564.45305 8941.76405 11383.67017 18613.58651 16152.22486 7765.639688 6914.007907 19658.99187 13904.23849 14037.38266 22778.21209 17840.45188 20632.58243 18666.37764 48639.31812 33082.48666 20436.52686 25040.86254 0 0 0 0 20798.90351 12696.34941 14484.09204 20015.54843 11116.91839 20613.3777 13789.18934 19598.62663 18518.53823 23788.4582 24937.42845 21631.01257 14202.35602 19024.91849 22982.78408 22593.05645 27454.19261 23880.94443 27380.65699 22671.54409 0 0 0 0 ADP_M+3 0 0 0 1580.147417 3433.693566 0 0 13261.97619 9341.591732 9505.847125 21102.04564 17503.68076 16996.14717 18070.69627 51506.46237 36268.44712 25650.1791 27310.03569 0 0 0 0 2179.110444 0 0 0 0 4118.751326 3480.775157 4006.16788 11399.18106 12627.5627 14364.98194 11962.50986 11946.34123 16613.16913 21776.91251 18834.38425 29973.11519 25663.58206 28234.10184 25201.5572 0 0 0 0 ADP_M+4 0 0 0 0 0 0 0 10216.50709 6093.869255 6903.685095 17876.19389 11791.63572 12985.58279 15865.99972 45489.27575 31980.3878 20787.04463 22879.62811 10945.98108 6659.832494 10785.83871 7799.362724 0 0 0 0 0 0 0 0 9533.411986 13400.81606 12917.29381 11915.86624 12504.89127 19933.93757 21980.07374 21926.11382 40417.91727 28798.14663 34428.10859 33538.77002 13676.5801 18797.26392 15094.2624 18583.11485 ADP_M+5 0 0 0 0 6658.567752 4086.729501 4000.420885 183599.5549 107938.7169 117151.9796 302629.3821 243517.5096 254810.4391 275610.64 757366.3476 506032.1182 320097.4184 370502.7125 325998.7171 189175.316 285088.8017 214462.67 0 0 0 0 11166.74798 18430.1644 12353.70344 16893.71977 190231.7319 236283.999 231950.4751 210001.5388 194816.5731 292993.5128 350601.9036 374032.9895 619384.9861 411140.1727 487535.6031 470986.6494 385345.4242 541355.6818 429914.1734 547840.2278 ADP_M+6 0 0 0 0 0 0 0 18775.56865 11660.98484 12058.72619 41776.84599 31209.6175 33340.81315 36158.144 119936.5961 83578.81288 52499.38985 61421.89855 61646.52383 35834.923 57932.10369 40356.90277 0 0 0 0 0 0 0 0 29053.72486 37276.73695 35200.42136 29518.22177 35136.25787 57998.78807 70262.36175 76368.06006 213622.8815 143864.9509 156967.7881 145289.551 135261.2263 188129.9209 153949.0254 191078.389 ADP_M+7 0 0 0 0 0 0 0 3980.37916 2546.831041 1728.614292 9503.900287 4737.44327 9029.404684 9402.638037 30845.43842 19083.63069 11225.92203 13290.55753 15977.77364 7474.475133 14740.81348 11089.79021 0 0 0 0 0 0 0 0 7270.685571 6460.520296 10351.31974 7856.648894 8736.724429 15179.05915 19487.10816 22659.40451 71110.47586 49312.45873 50938.60094 47114.81778 45109.96109 61774.29016 50688.94875 64083.19905 ADP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4036.634574 0 0 1414.185829 2075.173414 0 2805.249835 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3002.419895 2852.492986 2825.689609 20753.04828 13400.50012 12932.24541 11686.56996 10776.65918 14435.58202 13288.50314 17322.81904 ADP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3052.671514 0 2564.826243 0 0 3069.623572 2498.916986 1939.541623 ADP_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ribulose 5-phosphate_M+0 15027.09862 10363.79457 10839.13441 12719.73989 2388.370991 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14852.43574 14152.01594 12971.14325 10060.97679 0 3567.693421 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ribulose 5-phosphate_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ribulose 5-phosphate_M+2 0 0 0 0 0 3397.952657 0 0 0 0 0 0 0 0 4577.591872 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ribulose 5-phosphate_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 1784.458399 1843.425976 0 0 0 0 0 0 0 0 0 0 0 0 2146.183807 2278.629178 2710.36233 0 0 1785.36534 0 0 0 2367.562647 0 0 0 2241.878929 0 0 0 0 0 Ribulose 5-phosphate_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ribulose 5-phosphate_M+5 0 0 0 0 16224.48917 12443.99316 7818.778667 2510.318478 13100.76399 13283.74164 16263.45013 13869.30595 16099.56904 19523.44435 32356.21144 23214.85581 17104.33169 19600.40905 15370.02734 13962.307 12382.97054 11828.17077 0 0 0 0 15815.5299 25290.3114 20519.49685 26895.86068 23883.0452 29251.41666 23727.08386 17393.78469 11833.40504 17959.51589 23081.35579 24212.40062 22793.09118 8435.270319 30841.14411 24081.76665 18220.78746 11854.60273 8941.761144 12335.76328 UDP-glucuronic acid_M+0 196963.2749 183144.2321 191791.6329 215485.9463 168443.178 173335.8555 135189.296 33711.17719 34985.0512 31241.89527 3134.642618 3209.740962 3348.999399 2780.536226 2112.35235 0 0 0 0 0 0 0 328849.7154 250868.0295 284322.7833 243304.3931 325747.3718 303229.7644 280370.8674 298754.3825 224214.2911 196449.1141 172678.9701 147499.7157 34928.62993 47134.25575 53907.2869 44047.18144 9702.672986 11227.46367 10317.74688 9740.430395 0 0 0 0 UDP-glucuronic acid_M+1 34609.3431 32880.46587 35285.23149 38187.00194 30347.46768 31503.46281 25682.84717 4607.286053 6413.312998 3301.625149 0 0 0 0 0 0 0 0 0 0 0 0 59710.10379 45344.4302 52855.30446 44392.52031 59112.9461 55804.30385 50765.65144 52966.7657 41957.3832 35953.49565 32061.30261 27314.61389 6255.56696 8706.65927 11098.42459 7127.786258 0 0 2429.593591 1896.759514 0 0 0 0 UDP-glucuronic acid_M+2 10251.20325 9332.357506 9162.940382 10504.76774 5635.24315 7482.186962 5681.28197 2013.137059 2894.861366 2324.357381 0 0 0 0 0 0 0 0 0 0 0 0 19393.88047 11384.15279 15436.17153 12768.08496 17944.52099 14976.8519 13739.19077 16095.99405 12567.48781 9670.675217 6147.916893 7287.657313 2006.319827 2152.315361 3515.552676 2851.48171 1177.966902 0 0 0 0 0 0 0 UDP-glucuronic acid_M+3 0 0 0 0 0 1329.983682 0 1731.506919 1899.272885 1850.495933 0 0 0 0 1410.536823 0 0 0 0 0 0 0 1622.4901 0 1941.142993 0 0 0 0 2569.319466 3161.371539 2705.114222 2276.317617 0 0 1689.741148 2334.950232 2222.191974 0 1527.351648 2394.343255 0 0 0 0 0 UDP-glucuronic acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2183.347721 0 0 1488.820281 0 0 0 0 0 0 UDP-glucuronic acid_M+5 0 0 0 0 0 0 0 10733.54343 9502.724345 11237.84503 7514.636019 8754.47057 9875.264118 8691.976254 12055.70363 10114.27911 8216.233668 13793.19395 0 0 0 0 0 0 0 0 0 0 0 0 8592.333518 8642.324442 8855.789649 6297.312983 10596.29556 12137.94622 14874.31765 14031.18438 20204.74163 21120.79448 20207.30909 16665.22939 0 0 0 0 UDP-glucuronic acid_M+6 0 0 0 0 5057.082959 7405.219542 10589.58359 112057.307 98068.84776 103174.5143 38015.11174 38110.53585 45353.31295 45255.60295 35086.2114 26453.14586 18722.93629 27437.00326 0 0 0 2266.010599 0 0 0 0 2404.319957 0 0 2315.031195 143896.5288 126346.5272 107318.9021 89337.50498 82690.41741 106681.9175 113794.2928 103000.3202 78849.92073 71042.96106 69717.41675 67656.29011 0 0 0 0 UDP-glucuronic acid_M+7 0 0 0 0 0 0 0 15222.43107 11152.73558 12850.44275 5757.677262 5601.036325 6876.975066 7190.485615 9571.815093 6060.775627 3948.726768 6352.432341 0 0 0 0 0 0 0 0 0 0 0 0 18475.98292 15561.64701 12534.41865 12012.13704 12521.9837 14483.00715 16837.58606 15484.26772 15347.08143 14380.52277 13391.43792 11996.56098 0 0 0 0 UDP-glucuronic acid_M+8 0 0 0 0 0 0 0 7618.281894 7766.66564 7991.737664 10693.38791 8036.204713 11235.02272 10309.80741 17722.27845 14666.60087 10160.41609 14971.03199 0 0 0 0 0 0 0 0 0 0 0 0 7641.089905 8616.821859 6093.428581 4687.325212 8240.554528 8921.978927 13991.07793 12045.71085 21156.34769 19894.1121 18297.30089 15085.36368 0 0 0 0 UDP-glucuronic acid_M+9 0 0 0 0 0 0 0 5896.474214 4795.080911 5444.820318 7695.734582 7173.282948 10236.27343 9811.17659 15097.94105 11315.04008 9318.632019 13353.67241 0 0 0 0 0 0 0 0 0 0 0 0 4075.278862 2299.108544 2433.16267 2371.468665 5542.441739 7858.770961 9437.865285 6438.25657 15116.31397 15465.16088 14497.3917 11589.60696 0 0 0 0 UDP-glucuronic acid_M+10 0 0 0 0 0 0 0 6597.100682 6952.357967 8520.325183 7037.21992 10364.05106 12545.59328 13934.75824 21642.86759 16661.97349 11956.24522 16759.70202 5961.088465 6266.384051 7106.999604 4551.22163 0 0 0 0 0 0 0 0 4222.363014 4335.186582 3730.551235 3095.63137 7607.215826 12439.85744 13821.94444 13696.54533 32437.50754 26175.19998 26499.10742 23878.307 15888.14848 16246.2829 16012.20019 16556.84204 UDP-glucuronic acid_M+11 0 0 0 0 0 0 0 72830.94338 60130.08562 67591.34323 101741.4163 103146.3334 115384.639 126964.3517 180227.0041 144820.9115 107794.4287 154476.9454 78201.32197 81796.12769 78599.78817 61227.98199 0 0 0 0 0 0 0 0 52724.48892 44870.18424 38551.09264 33605.9628 72329.5664 105878.6339 117998.1835 116122.9284 291264.3369 230378.7361 215474.9326 201042.2104 211139.9426 212105.1636 219447.7671 223898.4383 UDP-glucuronic acid_M+12 0 0 0 0 0 0 0 4702.196781 2989.30587 5525.593308 15190.06404 15258.21207 17502.06917 15620.23823 32249.956 22872.71096 14830.72105 23257.14814 20147.35433 20427.08978 20774.66876 15228.65811 0 0 0 0 0 0 0 0 4738.81527 4061.675279 2124.725146 0 6096.258936 9909.987611 11019.3008 9834.615354 39352.46621 31985.86625 29991.99876 27537.98523 33061.04788 31964.09424 35589.48432 35498.80233 UDP-glucuronic acid_M+13 0 0 0 0 0 0 0 2786.293764 0 2380.773434 12478.81028 10331.85313 14610.30232 13094.41065 28916.50912 17232.2173 11357.6875 20237.92459 21166.06341 20612.90366 19507.04271 17633.38971 0 0 0 0 0 0 0 0 2683.696615 1973.826779 1758.663747 0 2388.561468 4950.785492 5072.768149 6715.134458 33152.94926 25406.63737 23044.08009 21955.18228 29957.17089 28109.34902 31326.91955 29552.62875 UDP-glucuronic acid_M+14 0 0 0 0 0 0 0 0 0 0 1867.213829 0 2333.680371 1799.235737 4801.02225 1845.86528 0 4261.45686 5510.062053 4261.45285 6109.112243 3577.999396 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4722.145961 4351.646225 3381.917032 3933.805808 4959.638759 6873.074297 7481.610405 6918.306251 UDP-glucuronic acid_M+15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dADP_M+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1322.628189 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dADP_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dADP_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dADP_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dADP_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dADP_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1602.743346 0 0 0 0 1997.111737 1573.222456 dADP_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dADP_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dADP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dADP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dADP_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADPH_divalent_M+0 14888.55243 10149.54537 14138.12122 16686.65959 13258.62369 11844.09461 9315.626564 12863.49412 8807.722282 10288.3952 4334.877931 2849.692134 5532.600864 5770.688544 0 0 0 1731.343959 0 0 0 0 38131.78034 25974.48267 31113.10342 38856.37892 20576.94971 38617.46835 37142.46218 42302.58854 18221.25719 29155.87994 2413.230279 18912.2887 7990.956534 8368.126761 11682.36601 10515.67623 3094.100344 0 2261.26785 2420.379799 0 0 0 0 NADPH_divalent_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2306.955321 0 0 2903.110468 2258.046171 0 2390.755944 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADPH_divalent_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADPH_divalent_M+3 0 0 0 0 0 0 0 0 0 0 0 0 1945.719095 0 1953.96486 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2605.194658 2228.713166 0 2273.674051 2567.965283 3091.289964 3454.804173 3968.20037 2917.226803 2934.93366 3812.91224 0 0 0 0 NADPH_divalent_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2862.515591 0 1943.728942 0 0 0 0 NADPH_divalent_M+5 0 0 0 0 0 0 0 0 0 0 3879.877343 2582.605411 6499.967571 4752.715739 14905.74829 10952.94753 6719.991235 7982.262111 5801.907454 7080.854378 8699.974523 6141.240974 0 0 0 0 0 0 0 0 0 2981.082 0 0 9901.002446 7985.237379 9780.943615 12427.09831 31130.17865 20943.9083 2966.331326 4079.680829 16891.11213 26324.88784 2034.653616 25505.28276 NADPH_divalent_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3309.939477 2167.373954 1923.571686 0 2432.181954 3469.958047 3543.791577 2779.102744 NADPH_divalent_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADPH_divalent_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADPH_divalent_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADPH_divalent_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADPH_divalent_M+11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADPH_divalent_M+12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADPH_divalent_M+13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADPH_divalent_M+14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADPH_divalent_M+15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADPH_divalent_M+16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADPH_divalent_M+17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADPH_divalent_M+18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADPH_divalent_M+19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADPH_divalent_M+20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADPH_divalent_M+21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTDP_M+0 0 0 0 2328.601974 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3589.348229 2002.026672 0 2351.820836 0 4418.748797 0 4173.280003 0 2854.401234 2983.807789 2418.527394 0 0 2843.710987 1363.13818 0 0 0 0 0 0 0 0 dTDP_M+1 0 0 0 0 0 0 2840.472024 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTDP_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTDP_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTDP_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTDP_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1992.893081 1605.428604 2057.814477 2116.586663 1850.540013 3638.775185 3123.970652 3152.830442 dTDP_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1140.102225 0 0 0 0 0 0 0 0 0 dTDP_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1735.874862 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTDP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTDP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTDP_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP_M+0 57711.64398 22128.75074 33979.07865 65699.68516 53651.58625 18517.53688 16327.45635 42456.93341 19768.594 17488.21507 22281.20541 15201.68758 12874.44794 15690.49854 31213.95987 18724.94079 9584.053617 10047.44825 0 0 0 0 88243.85345 43849.46306 46219.1642 73779.95478 37665.2699 73401.1478 62375.70523 71736.54092 46416.15252 64382.61997 71431.50965 66444.96642 16260.18965 25847.10311 34540.4064 36347.14407 21347.70213 14568.60301 19141.64095 20644.14777 0 0 0 0 CDP_M+1 6812.890834 2340.614962 3805.207731 7693.379133 5799.640411 1890.094876 2179.699584 5234.635274 2101.728366 0 2773.900412 0 0 0 4379.243657 2835.967526 1882.068207 0 0 0 0 0 9783.336182 5995.535773 5203.107164 8939.783719 1486.023783 8185.500132 6265.593692 6398.899035 4704.757294 7055.712738 7867.149509 6515.504853 0 0 2957.725517 4300.446973 2847.916517 0 1521.27356 2876.762867 0 0 0 0 CDP_M+2 0 0 0 0 1739.454131 0 0 0 0 0 0 0 0 0 4761.271636 4132.185925 2023.288521 2442.664151 0 0 0 0 1705.398376 0 0 0 0 1618.485304 0 0 0 0 2449.611508 1869.116816 0 0 2490.163665 2102.706359 2490.07452 0 2176.124654 0 0 0 0 0 CDP_M+3 0 0 0 0 0 0 0 0 0 0 1653.628631 0 0 0 5043.661195 4418.283305 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2112.835191 2008.626781 0 0 0 0 CDP_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5092.598059 3203.50506 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4552.973095 1767.184518 1796.973422 3062.655764 0 1906.322885 0 0 CDP_M+5 0 0 0 0 0 0 0 18331.353 9297.132299 6809.200467 30507.88855 21233.43853 20219.78986 24821.84576 73750.42245 59805.75922 34093.41269 27620.18342 17506.60271 8602.131414 18656.79061 17053.4535 0 0 0 0 0 0 0 0 11463.18209 16186.0555 17338.04125 14829.09045 11407.26204 22728.54428 30488.42319 33918.37766 59492.52413 36660.68 50617.11443 46519.13866 40691.64817 65201.80373 46973.6025 63940.291 CDP_M+6 0 0 0 0 0 0 0 1542.647544 0 0 4567.651997 3565.643779 0 2592.391718 11222.75447 6989.151197 3143.15132 2885.916373 4558.105716 1185.733284 4253.714554 3695.998105 0 0 0 0 0 0 0 0 0 0 0 0 0 1818.355745 2682.07621 3584.021678 8649.333565 4585.856592 6676.481722 6423.361608 5694.92724 9376.523686 5850.128945 8528.206395 CDP_M+7 0 0 0 0 0 0 0 0 0 0 2738.394719 0 0 0 9145.131644 5198.44699 2941.60916 1806.199125 4036.178 0 3184.942103 2578.953001 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2095.819086 7453.106311 3648.830184 4165.639998 3740.516177 4857.592176 8143.805581 5555.200722 7582.731444 CDP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 CDP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GTP_M+0 244413.9171 238666.1172 235091.2835 226669.8552 163443.3273 178607.3518 170284.5539 112411.7755 99806.88846 108607.0598 40042.04442 45113.53349 64059.58245 58174.09599 55355.86944 31384.77158 26769.10816 43281.05655 0 0 0 0 307599.0432 257707.5249 293689.838 260189.5548 271972.989 254612.879 237197.2738 236250.6058 148506.2351 128991.3282 112418.9956 94596.22445 59788.32895 69768.13688 70474.11767 61500.32877 49144.1497 43125.82017 38449.11032 40414.62481 0 0 0 0 GTP_M+1 32544.01055 32318.30965 34291.80742 29005.61004 20392.76129 25060.83849 24161.4595 14395.85629 14303.61958 14886.61429 5064.491813 6558.830174 8889.603695 8245.44747 8772.526143 2019.174562 4621.885936 5650.178429 0 0 0 0 42949.0072 33870.40905 37353.04135 34121.28859 36791.85354 35580.63895 31214.96454 32678.20366 20347.0878 19120.58485 18404.06191 10087.73705 9108.227333 10524.25546 11857.98272 9631.486875 9005.846959 9272.944698 9489.42797 7226.966572 0 0 0 0 GTP_M+2 7089.741683 9322.176862 5836.937252 8284.644885 5387.252423 6734.925014 6737.155092 9620.946592 11513.71361 12020.44851 9190.586576 11083.60899 14427.691 11048.10088 17303.71131 10382.79922 10236.7572 15413.30156 0 0 0 0 12577.59298 9174.747902 9928.08823 10766.94256 10032.6501 10467.00477 8058.063645 7121.518122 10933.23048 6369.581626 6540.770192 0 8205.250877 10560.22787 11221.4517 9472.463806 9566.59942 12264.17982 10126.82046 6909.069255 0 0 0 0 GTP_M+3 0 0 0 0 0 0 0 7533.206377 7543.509718 4153.131958 7028.348879 10390.64324 14762.6376 12403.19852 20606.99373 14484.76128 12650.40252 19972.45851 0 0 0 0 0 0 0 0 0 0 0 0 6558.808735 3352.046246 4448.760157 0 7310.410719 8110.493887 8944.673893 9665.644307 12623.51279 12132.45168 12302.67799 9046.328062 0 0 0 0 GTP_M+4 0 0 0 0 0 0 0 6963.85409 3149.722881 6712.681151 8985.783359 9724.95055 10659.48245 11505.87786 17634.17416 11979.86838 10040.59499 16632.32827 3216.728491 5302.834848 3543.824949 3020.671225 0 0 0 0 0 0 0 0 7605.053343 4636.451129 4757.394927 4304.71548 6704.656093 9742.753893 11383.36762 0 17710.09766 15149.25071 14990.18557 13974.17539 2595.904849 4629.538397 5070.320968 6023.40913 GTP_M+5 0 0 0 0 3585.608047 4605.325442 5899.724211 132091.4329 112159.4719 130287.449 139599.3963 163811.5486 224932.9829 210325.0311 276748.746 180235.1681 152756.9837 242939.734 126571.2015 140765.4061 127667.2193 104868.2313 0 0 0 0 7278.782359 5632.367036 7312.500742 8534.126336 129444.0749 105430.7845 87376.79728 77524.42068 133326.7297 168715.14 170018.5529 162127.6313 225676.5898 199143.7181 180312.5218 182610.4879 160267.8495 171080.4906 165446.8325 165739.4675 GTP_M+6 0 0 0 0 0 0 0 13927.48713 2443.485623 14199.06496 20781.42359 24709.38841 32789.14621 28807.90101 50300.17248 32326.69907 28015.5986 44069.71514 24854.89859 28143.89564 27160.70929 20600.47803 0 0 0 0 0 0 0 0 23960.65772 20496.65032 16513.6902 12802.03711 31360.67218 44855.25939 48017.86443 41890.9039 96498.65894 90819.03579 71394.89231 68153.71478 59776.45614 60287.82672 66381.75169 61580.09778 GTP_M+7 0 0 0 0 0 0 0 0 2393.518658 2569.375067 4924.847485 8440.400609 6270.183395 5445.900125 12194.3495 8238.083244 6145.107487 10457.30907 8819.377857 7375.86953 7463.437666 3968.886609 0 0 0 0 0 0 0 0 7685.87072 5788.281132 0 0 7499.522063 14120.48756 14676.4139 11442.37196 38543.55003 35755.22814 25350.21566 24991.27716 20648.96846 23288.01067 24452.56899 22073.28383 GTP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2255.076547 0 0 9903.29144 9887.353779 7530.367178 5101.65935 4495.554403 4246.647481 6584.944123 3432.410389 GTP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2322.701598 0 0 0 0 0 0 0 GTP_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glyceraldehyde 3-phosphate_M+0 3564.91204 0 2783.52417 2787.792589 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glyceraldehyde 3-phosphate_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glyceraldehyde 3-phosphate_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glyceraldehyde 3-phosphate_M+3 0 0 0 0 4732.099661 0 0 1923.13246 0 0 1661.422819 0 0 0 5577.257286 5734.800735 0 0 0 0 1776.75087 0 0 0 0 0 7871.865399 2844.173209 2690.425293 0 8988.754117 3144.69998 3258.104824 13658.11695 0 0 0 0 0 0 0 0 0 0 0 0 UDP_M+0 194180.7144 85444.06031 122427.9375 224495.974 193561.0382 79363.23771 69521.70458 96359.25045 45568.64029 39537.99578 38588.12969 25651.9598 25642.66134 26894.37504 43097.57772 28680.99682 19144.60888 18206.89803 0 0 0 0 294578.8565 167037.0963 168029.4989 245846.7023 145512.8879 269606.9683 203958.7853 244083.1731 121352.1843 149932.6337 164969.6006 154536.6727 43037.97531 63161.33967 74632.77542 79441.53995 47246.79655 32745.8426 42356.0649 41352.69722 0 0 0 0 UDP_M+1 22768.5745 9758.020634 13949.81995 26705.07164 21572.59272 8788.961014 8140.321929 11111.95562 4734.0688 4459.383374 3367.46985 2368.875659 3183.23625 2462.678542 5808.199659 3749.593306 1897.346643 1950.881679 0 0 0 0 34695.45006 20507.21936 18704.6305 28754.38446 17395.67948 32730.08987 22247.82386 26699.32714 13811.3589 19311.61435 18660.0779 18687.83371 4566.662665 6921.516539 10170.13686 9894.003233 7792.397332 4818.542997 6216.65699 5950.760885 0 0 0 0 UDP_M+2 4598.787082 0 4660.148135 6808.48824 6922.588452 2537.397899 2354.767554 10354.5164 4743.958783 5072.734027 8576.184914 6305.864496 4960.148409 6645.525673 18844.05908 13516.37073 8365.217977 7700.539881 0 0 0 0 8783.800799 5449.364217 5334.590243 8046.013184 5224.255669 8821.886239 7361.56472 8338.83328 5817.927746 9115.448125 9849.27897 10910.73279 5061.72557 7294.302648 9631.867081 8907.509457 12795.87772 8543.112597 11905.35273 9583.224081 0 0 0 0 UDP_M+3 0 0 0 0 2094.971546 0 0 6484.573587 3858.662297 2935.436749 9159.501226 4378.460313 6380.114928 6930.258439 19336.77405 15161.75388 10836.8812 7340.230516 0 0 0 0 0 0 0 0 0 0 0 2288.64784 3400.028398 4619.494399 6333.851364 0 3626.056869 5588.624995 7367.424428 6642.90155 11284.81628 8495.632194 10196.48918 8136.745044 0 0 0 0 UDP_M+4 0 0 0 0 0 0 0 4681.200998 1700.762314 2452.74604 8862.082915 6456.439889 5920.712212 6989.51399 17378.01209 14254.58013 8565.846852 7426.782659 3031.842676 0 2115.257918 1373.665878 0 0 0 0 0 0 0 0 3774.474694 5054.060805 5630.365849 5591.894202 3568.936304 6986.230883 7436.71112 8597.289235 15835.47786 11591.28005 12782.41179 13090.91975 4641.255363 8219.01949 6923.100998 8858.041837 UDP_M+5 0 0 0 0 10561.36573 4341.560773 5128.460252 106019.0623 52904.30539 47734.79053 124054.8292 91188.32555 84923.81883 97962.11467 259838.861 207510.3905 120715.2789 109118.5782 74320.0019 33456.38655 68631.05911 59072.60627 0 0 0 0 8610.439623 14460.30667 11675.12368 16539.82748 82315.33256 103137.4546 112917.6531 103353.652 57813.74999 107267.7157 139438.5833 155063.4284 265982.3648 169790.1994 204762.0392 189667.9764 153895.3647 230558.5216 188474.6071 234455.5407 UDP_M+6 0 0 0 0 0 0 0 9749.306172 3459.156353 3773.405552 17278.45796 13240.99814 13903.41371 12236.68448 46341.68995 28692.02458 16721.64827 15599.45009 18708.84899 7284.501312 17139.84574 13784.01027 0 0 0 0 0 0 0 0 6262.244847 7602.13603 10363.41778 7761.752979 4635.681658 9869.417914 14184.82269 15447.88632 40524.22185 26669.85397 32850.64179 27903.26348 23609.78285 34399.3856 29749.76146 36511.79312 UDP_M+7 0 0 0 0 0 0 0 5642.667851 2030.868489 2438.990565 14656.00923 10981.48586 10868.46205 8641.836751 40325.08835 22944.60679 13288.14661 13297.21493 21120.09149 7275.727507 19973.69342 15285.05438 0 0 0 0 0 0 0 0 3333.733273 4974.746172 4098.132224 2759.190206 4368.075028 5955.513144 9858.564547 10162.4696 33000.55408 20604.1163 26388.55899 20960.93215 20321.85879 31921.16723 24528.98745 31351.7311 UDP_M+8 0 0 0 0 0 0 0 0 0 0 0 1989.303082 0 0 8489.68841 4316.677455 2583.778533 0 7489.800348 2962.20855 7011.923286 3573.016509 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1788.527221 0 7487.495054 4788.003866 5000.291362 3548.762357 4734.58055 7644.776819 6609.688209 6539.379207 UDP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCDP_M+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCDP_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCDP_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCDP_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCDP_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCDP_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2036.328768 dCDP_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCDP_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCDP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCDP_M+9 0 0 0 0 0 0 0 0 0 0 0 1610.482097 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dATP_M+0 2733.923496 3242.187571 3411.807742 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4583.650977 4508.236724 4806.273614 3163.241367 5091.234104 3413.470555 5433.339737 4671.691237 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dATP_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dATP_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dATP_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dATP_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dATP_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4829.629125 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2226.763433 0 0 0 5890.572662 5088.62624 0 0 0 0 6023.280471 5103.009653 7549.068954 0 dATP_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dATP_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dATP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dATP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dATP_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ATP_M+0 1657711.521 1665862.239 1738299.852 1582178.772 1091758.33 1374567.254 1249820.957 1218665.269 1112372.431 1199664.777 520234.632 595879.3981 843260.5667 754275.9571 533718.8778 358973.2892 268950.6344 425891.2501 22028.06248 8495.844863 21928.49706 22589.35032 2239209.568 2040275.475 2335014.095 1918338.321 2246639.341 2092431.638 1973704.392 1948345.583 1814342.77 1602496.451 1363251.982 1252562.463 762443.4017 933507.7719 933780.6346 817815.366 515639.0207 462695.5292 447300.1927 435322.4731 42039.34432 71342.47518 58414.63456 69937.61959 ATP_M+1 216339.3789 217021.2964 222008.8531 203964.4081 144082.6932 180514.3457 162969.9552 157536.7397 143346.2274 162317.8594 73901.47805 81517.26125 118897.2277 104962.2749 88938.9575 57905.10822 47175.25334 67796.39347 5445.103509 1966.879617 6610.413735 3862.038528 284334.2516 260917.1516 295048.3323 243187.6114 278254.0999 268863.4611 243573.5736 244392.9541 236782.7353 210264.8909 182113.0012 169798.5005 114399.1205 139362 142263.4739 119849.038 99528.16753 91411.27696 86292.95783 84486.43363 0 0 8865.584781 12189.78214 ATP_M+2 55984.35504 55356.91002 60404.72838 53040.08463 38682.79688 49927.77464 43351.69324 72051.58916 70166.40622 76531.02698 68875.39943 79389.13095 111780.6561 93136.61407 133926.7191 97707.85424 84938.31261 120654.1362 0 2942.951138 0 2063.108316 72893.62113 67640.74179 78299.6057 65198.75083 79926.77221 71545.72668 70873.95695 70642.55957 95321.38946 83665.1367 75090.89963 70129.88568 84988.2068 102348.4318 101026.134 85820.99454 96181.68747 94711.98659 91225.5367 82282.71939 0 11008.73794 0 0 ATP_M+3 0 6283.972511 5974.80076 2982.312382 6105.130563 10336.13842 7713.67765 40500.22118 42526.98209 46331.93629 53537.56606 67657.86161 97051.88915 78448.16854 129183.8512 91936.67624 87638.89729 120786.9263 0 0 0 0 7607.168481 5361.113173 9397.847094 4922.664368 15548.67507 13120.42145 13947.46611 12277.43061 49509.54711 39520.3935 38925.55671 39111.35524 67257.91247 79128.14981 89323.16422 67209.75579 89215.61568 97656.57087 86935.85465 78289.39758 0 0 0 0 ATP_M+4 0 0 0 0 0 1408.12454 0 28715.8655 30787.95849 31071.29588 47889.05562 57154.24321 77619.86438 72320.16819 106934.7429 76370.64041 72499.46702 103916.2092 34284.73934 36577.40162 34706.33574 27407.06363 0 0 0 0 4096.00181 4507.633014 2983.059464 0 51159.60292 38551.52033 34978.04874 35311.50428 71618.57928 86424.19545 92672.40179 75853.03435 114010.6099 113786.0221 106346.113 98315.40706 54918.4977 52304.22209 57396.14217 54344.24073 ATP_M+5 0 0 0 0 13185.89011 17688.63449 18443.6323 550803.5924 481008.1143 575029.413 827755.257 966731.6326 1425418.372 1313343.299 1817578.571 1346564.876 1165991.273 1743435.53 909331.5844 1106623.803 983495.4093 759731.2467 0 0 0 0 58325.2784 48154.59704 45037.85135 53099.56497 915994.2124 742736.6921 615376.3348 599354.003 1214874.347 1480146.661 1461434.596 1322843.775 1857962.416 1657952.575 1498568.333 1513966.231 1632205.749 1606295.226 1673356.307 1625414.23 ATP_M+6 0 0 0 0 0 0 0 61014.00154 48302.22776 61734.07995 110855.7915 130498.4464 193573.8634 174979.4243 287582.4286 222490.0285 190943.0318 276989.6509 174412.0232 199591.9466 189863.6609 137778.3353 0 0 0 0 4823.714069 4970.190436 0 2497.34395 134961.126 111863.6058 91929.0383 84387.04814 221050.394 285761.7338 291616.5106 268095.9788 632333.2973 567828.2304 484598.6631 467307.0085 559979.3069 533244.9423 587339.1512 551099.2242 ATP_M+7 0 0 0 0 0 0 0 15983.35199 14036.78746 15379.74857 31754.76414 34565.63586 54776.06295 48258.91777 81287.42161 59385.82182 46111.56179 73331.55486 51534.07013 59459.46789 56444.068 42546.65844 0 0 0 0 0 0 0 0 43086.83981 36020.67534 27348.33385 25555.91911 57851.2786 85258.88956 86840.56447 83495.02343 224690.5499 202911.8199 165495.0334 159333.4524 194139.1145 185576.6634 204598.675 194254.8431 ATP_M+8 0 0 0 0 0 0 0 0 0 0 0 3092.993587 7402.947794 3078.02654 11967.18375 2072.173981 7422.059301 5232.975287 5828.050256 8787.187309 2970.724346 4172.323254 0 0 0 0 0 0 0 0 0 0 0 3161.691758 7679.909918 5998.528155 17007.43855 14269.04603 62830.26484 54820.52934 43684.13517 40963.22685 47456.74207 47008.95797 55619.40587 48501.11593 ATP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12361.46632 10766.29704 0 6673.674271 0 4742.140435 6709.854406 5540.920755 ATP_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glycerol 3-phosphate_M+0 27817.86098 35018.84731 30416.93421 26813.08979 20489.23802 21600.32047 17020.86716 13362.99228 15089.02208 15481.99908 12066.75482 12466.00126 19220.90771 16070.69151 23762.88424 15839.66921 13168.56556 15094.99894 8310.181696 9092.059831 7896.411492 7005.930336 53012.81679 36821.24496 37564.97699 39488.51198 18654.39247 23028.79986 22820.81883 26039.09492 21162.46786 33481.13306 30649.87415 27365.13915 19500.07462 28185.22337 28551.42792 27929.57216 20263.42443 27006.99865 21444.1794 19861.98759 11365.83364 18483.7534 19285.02427 20312.03807 Glycerol 3-phosphate_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2348.81472 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glycerol 3-phosphate_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3772.146989 0 0 Glycerol 3-phosphate_M+3 0 0 0 0 16235.45682 17050.53762 14049.10869 9380.862761 11739.11642 12634.88756 11860.12849 12199.05461 20720.29416 16873.86293 27487.19329 23329.62975 20283.15192 25241.508 16672.24855 14266.29886 15717.13175 9164.301272 0 0 0 0 20376.21645 19802.10931 16282.52776 18932.81044 24016.66878 18851.16667 21267.77699 20972.94112 18735.44241 20359.12593 21904.94906 16709.12516 28033.22721 26453.75938 29845.37539 30458.14785 40589.56844 41217.34497 45816.17387 40104.32513 dTTP_M+0 3502.623676 6375.383393 5795.597418 5894.393758 2945.120591 3325.491822 3264.037979 2248.145508 0 3372.132432 0 0 2615.998916 0 0 0 0 0 0 0 0 0 10293.8677 9246.210234 10515.52234 8501.500426 10336.57432 11561.6961 9964.038418 11085.0741 9952.685721 8554.797515 7306.621111 6729.840653 7598.529178 8527.218987 6726.75672 0 2267.384907 2730.432028 2277.864807 2209.870555 0 0 0 0 dTTP_M+1 0 0 0 0 0 0 0 0 1585.641134 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2280.094728 0 0 0 0 2070.715216 0 0 0 0 0 0 0 0 0 0 dTTP_M+2 0 0 0 0 0 2486.08131 0 0 0 0 0 0 0 1522.824921 0 0 0 0 0 0 0 0 0 1438.304741 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTTP_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTTP_M+4 0 0 0 0 0 0 0 0 0 0 0 2326.053784 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTTP_M+5 0 0 0 0 0 0 0 0 0 0 2372.568075 2212.690723 3113.313234 2870.880789 3072.573698 0 0 2866.054465 1796.741299 2820.415538 0 2586.405734 0 0 0 0 0 0 0 0 2309.111382 3156.825974 1853.39599 0 5221.195789 6426.438016 6296.43684 6192.649015 8697.320792 8180.354256 7001.761708 8785.685937 10308.5999 11626.27444 12391.71307 12186.83552 dTTP_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2131.185438 0 0 0 0 0 0 0 0 0 2024.904352 0 0 0 0 0 0 2367.040039 3715.681927 2353.190484 3264.948118 1546.764464 2189.449112 4298.477831 3585.890763 dTTP_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1137.665356 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTTP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1246.36334 0 dTTP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dTTP_M+10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Succinylhomoserine_M+0 4807.815796 1521.233582 3469.362155 3473.859913 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3455.570756 2515.041658 3924.436048 2738.569311 2652.714661 3264.885421 3002.7281 2316.706079 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 O-Succinylhomoserine_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Succinylhomoserine_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Succinylhomoserine_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7248.565358 2697.764195 0 4843.274352 0 0 0 0 0 0 0 0 0 0 0 0 1575.626796 0 0 0 0 3755.507672 0 3063.405814 10277.10001 6709.510545 8055.647265 6632.039623 2253.414371 4072.383208 2223.568136 3071.746721 O-Succinylhomoserine_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Succinylhomoserine_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 9876.112093 0 0 O-Succinylhomoserine_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Succinylhomoserine_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Succinylhomoserine_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Phosphocreatine_M+0 31211.87553 39343.68255 38834.18177 25576.7395 10068.94524 9809.394524 10820.53863 10203.79754 7042.827919 12080.15324 16405.85671 18672.08154 38725.91763 24301.44078 22915.5939 12451.11326 13552.56169 22031.12785 37600.81841 44205.26601 36925.16707 23021.44098 34332.83749 31906.57446 36081.46356 36230.27725 16830.86451 32655.1202 23241.57089 26390.9948 11167.53184 17706.10139 14381.84072 7987.755553 14443.88515 15980.08246 17715.61878 15319.57207 58447.84269 55694.57796 39681.14331 35037.82474 21659.12361 18205.16701 24270.94575 19258.48615 Phosphocreatine_M+1 2341.275971 3150.403885 2328.390482 0 0 0 0 0 0 0 0 0 0 0 1547.1317 0 0 0 2668.714568 2708.81701 2707.862297 0 2565.129359 1956.266737 0 2202.67415 0 0 0 0 0 0 0 0 0 0 1686.555387 0 2206.828919 2423.668339 1654.471504 1710.875259 0 0 1758.377652 0 Phosphocreatine_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2938.474162 2593.141958 0 1693.533482 1751.733521 0 0 0 Phosphocreatine_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Phosphocreatine_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Phosphoserine_M+0 10155.18938 8237.03452 8346.708202 8845.719464 4329.955596 5607.618867 4029.993072 13885.59779 11097.47217 15047.9365 10016.6823 8507.158544 12150.81371 11783.85364 5139.199051 5084.315772 5924.2445 7482.335685 3279.420029 4299.321587 3460.672001 2905.597087 7096.06288 6379.178891 7954.615163 6033.297574 8772.069881 4661.147911 5103.221127 3920.263204 12176.7098 6277.09804 3850.097983 3994.023149 11037.6214 9264.211344 7568.959853 5576.882124 7940.220106 7095.749127 4883.65667 4999.689605 3202.844682 0 2733.328424 0 O-Phosphoserine_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Phosphoserine_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Phosphoserine_M+3 0 0 0 0 0 0 0 0 0 0 0 0 1780.609945 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1916.51232 2240.312421 0 0 0 0 0 0 CTP_M+0 158569.2133 168545.904 171853.7235 149848.8528 85766.34586 105976.7652 105869.7162 119319.9794 100924.5805 123143.4756 57593.9201 65349.68649 96047.21187 84196.98575 62727.35932 40615.23099 36946.86009 50602.21449 0 0 0 0 204047.9183 182004.3323 210845.4207 174191.0636 208530.2639 185528.6966 174342.2883 171028.2828 205611.3178 177002.7688 150742.6036 134626.1877 107181.6442 126171.566 121718.3295 102456.2633 60388.45684 57668.38924 55221.43436 52037.60066 0 0 0 0 CTP_M+1 13998.27439 17634.84846 18286.81548 16115.47129 9047.533765 12965.15588 11041.88017 13938.56907 10849.61427 13804.70587 6181.920467 8416.927159 8789.340951 9397.121351 7624.053912 3070.918945 4604.706418 6380.179052 0 0 0 0 15492.39749 18341.22729 18643.35357 19356.07584 19139.64297 16185.53146 17586.21924 16875.51468 22739.70721 14609.55099 13701.67993 16946.47156 10550.03888 13489.95705 13073.01834 9229.385496 6386.732113 5375.930894 6981.219783 5640.172324 0 0 0 0 CTP_M+2 1376.683092 5402.64083 4947.836692 5490.64135 2885.491778 2589.253598 4358.007298 0 1134.248319 2655.91351 6537.111801 8535.480506 11162.1697 8528.458017 11911.55324 10011.65767 7938.601665 11413.40558 0 0 0 0 6779.539355 5047.483417 6043.328887 4821.191385 5348.945112 1777.878896 5150.433099 5331.336305 8455.790737 5033.989356 5024.274976 5683.019564 7385.38152 8699.957456 9097.948466 4992.750763 8580.843058 6457.518973 7966.464047 7308.895493 0 0 0 0 CTP_M+3 0 0 0 0 0 0 0 3626.545953 2996.900119 4410.413713 5217.83016 5032.286206 9224.38138 7336.027255 9881.912261 9427.309351 8457.139438 11561.94071 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4751.727586 6556.984445 5471.358442 3793.878087 6279.958009 5529.921442 7268.927206 4398.714551 0 0 0 0 CTP_M+4 0 0 0 0 0 0 0 0 0 0 5201.383313 4511.399371 8189.115987 7870.45198 9475.092315 7041.363263 6653.551379 10019.58062 0 0 1965.067336 0 0 0 0 0 0 0 0 0 0 0 0 1998.883681 3493.646337 5548.305496 6240.480045 0 7823.775839 2007.35074 0 0 4430.463201 0 3406.527662 5083.846914 CTP_M+5 0 0 0 0 0 0 0 48187.16222 41570.58486 48845.38157 82714.02234 96249.03116 138655.7418 133242.8147 157905.1266 129294.3501 115972.172 161726.1936 69941.71838 88215.57724 75677.03296 59603.84327 0 0 0 0 0 0 0 0 50885.10882 43914.2585 37645.43013 32544.3717 79251.93413 108406.4759 112604.31 103855.495 170475.318 155056.7643 131922.3583 133170.3475 165650.0321 156204.5847 167117.336 156863.1253 CTP_M+6 0 0 0 0 0 0 0 2565.952888 0 3986.523237 8903.903805 11666.37555 14943.04442 14182.75501 15773.10767 14152.22597 13924.07331 18647.07603 14051.69361 17672.9761 13328.51798 11884.29733 0 0 0 0 0 0 0 0 0 0 0 0 4104.083644 2767.968008 6775.103402 5417.029357 17720.92794 9365.515294 12348.64368 14485.76446 21115.22124 16072.41981 17755.37722 18051.99226 CTP_M+7 0 0 0 0 0 0 0 2334.298885 0 0 10043.87557 11130.63714 15612.41818 11857.50209 23677.04003 13764.41721 12606.22583 17576.92978 17150.66369 19420.09842 21163.56392 14471.92002 0 0 0 0 0 0 0 0 0 0 0 0 2038.142975 7298.688461 5601.072561 5030.230892 17784.36582 15901.01394 13328.52991 14026.87998 20085.57716 20170.13354 19084.91737 21620.69082 CTP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1970.627085 1383.873157 0 1779.96689 6086.479644 4247.776305 5312.832538 3630.700908 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2000.876684 2671.029821 1744.737524 1341.203811 3329.560874 3574.385314 4278.924905 4415.026758 CTP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 1674.088873 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCTP_M+0 1925.758424 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2723.323902 4290.942799 3239.813943 3683.924116 3666.394669 3395.956398 3114.895934 3948.295995 3710.601789 1914.378868 2739.300959 0 0 1978.291147 2921.6711 0 0 0 0 0 0 0 0 dCTP_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCTP_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCTP_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCTP_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCTP_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3099.22784 1642.560425 2584.515781 4916.663708 5029.700918 3879.682442 4093.536271 5034.413319 4886.043164 5051.010017 5086.183176 dCTP_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCTP_M+7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCTP_M+8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 dCTP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 UTP_M+0 630926.3093 675592.0169 703721.564 625412.3584 395724.6607 480303.1691 446616.8997 312860.5183 264845.0817 315136.692 114225.8564 133517.0003 183663.3546 165945.014 109547.7535 78037.38698 70912.38311 98465.24524 0 2300.361277 0 7098.751019 882354.1817 804360.5866 922600.2993 788739.8624 923209.2065 864325.839 785244.1274 761937.4608 637008.5896 521671.9653 436929.6534 395405.5448 300442.1317 348575.1689 335632.1704 287300.7586 145657.5787 140131.1562 129143.3147 131368.5961 3861.407797 0 0 3217.216982 UTP_M+1 73224.35489 76698.80317 80655.45645 68113.8101 45210.15463 55641.1291 50097.89445 39033.66172 32797.18617 37776.21569 14721.10124 16363.77765 25097.95493 23670.15716 15937.78096 13209.82966 7711.008266 14678.93285 0 0 0 0 98739.49297 89987.49375 102309.2262 87984.75334 100133.2928 95847.10051 87924.98403 85677.0198 72055.87787 59601.1989 51887.65521 43812.3083 37121.11864 40336.05594 45474.79724 37605.02367 23280.00621 24852.92097 22654.11718 22034.75373 0 0 0 0 UTP_M+2 19579.72987 24457.81887 23788.65892 22885.23939 16448.19454 19441.79301 20382.30263 31948.3913 28566.40491 34932.40412 26831.14005 32052.2099 42524.48952 38463.06173 44647.45721 37115.91563 35504.95126 44631.53768 0 0 0 0 31547.46769 29331.28144 34354.25517 29340.41293 31281.64768 33814.71755 31580.3425 32963.67595 41302.71494 33086.65159 28927.33293 25756.20503 32296.71335 38530.7537 39933.99299 33782.67158 37156.1051 39356.61331 34897.12486 33414.42274 0 0 0 0 UTP_M+3 2228.365809 0 0 1528.005547 3880.103116 5829.944924 5316.454578 23681.46822 22713.08559 27496.87575 27064.93295 31574.43656 43827.78112 38392.54838 45860.34984 38009.79824 38131.37631 46616.81254 0 0 0 0 0 0 2496.562322 1974.014355 9175.972048 9533.13156 7742.280334 6983.382554 21347.02998 15990.80789 15179.32983 15010.85818 24897.25057 30947.50829 34921.44577 25946.41778 34133.89925 37209.24802 31579.6053 30239.14637 0 0 0 0 UTP_M+4 0 0 0 0 0 0 0 21504.34196 19016.609 20999.09791 25365.59061 30910.98395 36899.22078 36162.23552 44155.60091 35242.50022 30985.0059 40462.93812 9212.003336 12819.13007 9777.557867 9300.005332 0 0 0 0 4130.173451 2103.246695 2677.752027 2051.76102 26088.22225 19662.95511 14556.4442 15604.66255 23991.73303 33202.96489 37070.25108 30741.98504 50375.81051 50631.70777 39401.45879 38748.41725 25075.95603 22321.02519 22208.52493 24638.99814 UTP_M+5 0 0 0 0 22452.61264 26978.3468 29857.5055 357085.216 303371.2889 379950.6884 403849.023 469771.0648 657173.1673 629822.5955 654640.0899 563055.895 487056.7577 686022.5522 263016.0456 352464.7536 286819.5973 232722.6834 0 0 0 0 52707.33951 46708.65944 43478.05516 48756.64605 472928.8224 378959.8737 308068.2065 267823.1619 451757.4128 606587.4369 615811.6573 562363.1031 873708.2809 773312.6034 638768.7699 654407.2309 714309.8409 694043.981 751225.535 735732.0924 UTP_M+6 0 0 0 0 0 0 2634.800296 33063.53742 26018.61106 35373.8906 61665.74574 71408.10731 97763.96097 87703.39658 116123.5819 78931.06179 65638.80342 97877.19811 65813.69114 80940.81004 71888.7665 56058.99356 0 0 0 0 0 3331.125364 0 1215.585629 36409.15791 27610.68798 26513.92802 20351.3059 43588.21948 60873.27762 64771.97921 55075.32692 135713.281 121038.51 101480.3517 95774.08038 114753.1106 104818.3006 117596.1043 109660.2384 UTP_M+7 0 0 0 0 0 0 0 20193.05478 15333.01848 18031.27139 49310.99118 59592.08375 83618.10056 68809.42552 102896.5772 65044.95335 54101.10604 85700.02544 75152.8899 91033.39114 82608.46615 59598.79647 0 0 0 0 0 0 0 0 21904.12902 19943.27226 13736.70422 12132.73345 27817.38397 41526.7424 42606.75694 39058.38526 113654.603 102832.0592 80287.24441 80940.39646 94413.55791 91687.39521 102567.3758 99671.15948 UTP_M+8 0 0 0 0 0 0 0 0 1977.090033 0 8131.738892 6294.376645 13061.23148 13676.07045 23645.94213 9449.986789 10454.41751 15454.33496 23573.99018 28883.56908 29432.7785 19719.4302 0 0 0 0 0 0 0 0 2539.106841 1522.111346 0 0 4561.695907 4756.693052 7913.286298 3051.602965 24439.45758 21053.10507 0 13581.28233 23896.98531 22217.14299 26613.47581 23907.61093 UTP_M+9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1409.396627 2155.558701 2686.652796 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2674.27754 0 1722.366529 0 2523.904391 2162.703277 Glycolic acid_M+0 0 22476.90081 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 27122.84179 0 0 0 0 0 0 0 0 18727.4006 0 0 0 0 0 0 Glycolic acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3470.650684 0 0 Glycolic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Dihydroxyacetone phosphate_M+0 53813.74625 45946.07569 44609.47796 73017.17118 9994.831527 6902.410141 4212.967534 4767.768638 6055.27515 4164.271543 4221.69347 0 3365.129362 3885.55627 8155.850208 5421.980416 3908.313937 2878.042135 0 0 0 0 20619.52962 16905.68194 12220.94279 25332.32572 6679.716961 5055.584566 6617.315148 7446.908189 5122.075964 4132.372456 4520.926293 5842.091134 0 2883.003331 0 2960.729568 3176.894069 0 0 2193.584659 0 0 0 0 Dihydroxyacetone phosphate_M+1 0 0 0 2778.74564 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Dihydroxyacetone phosphate_M+2 0 0 0 0 2851.48978 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1486.782584 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Dihydroxyacetone phosphate_M+3 0 0 0 0 80834.77473 52794.90465 37531.66991 52780.09568 39976.06073 32642.0644 46954.75716 25486.55626 31604.7477 36767.04152 80360.33227 63363.81258 31694.40101 26727.72751 50547.06833 34705.11489 40651.44711 27252.50343 0 0 0 0 37134.84797 35304.43863 34724.9588 46718.9785 54427.44615 35276.14302 36569.68953 48768.6217 12038.89375 15075.62508 18115.01222 25482.24435 24100.94092 8551.76027 23273.64457 20121.39012 25824.08287 21296.24946 10618.32437 18482.79485 Pyruvic acid_M+0 0 9108.055083 0 0 0 10572.96841 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 19460.063 26482.81145 0 0 16153.12378 8673.984609 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pyruvic acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pyruvic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Pyruvic acid_M+3 0 0 0 0 0 0 0 15918.28919 11501.54708 12176.82323 14158.13011 15435.16318 15631.16117 11245.23503 27430.79644 21288.96164 14978.80042 15293.40401 14092.02243 13772.19212 13520.35667 11510.26349 0 0 0 0 21911.53571 11224.30603 7694.47286 11177.17624 40384.50553 14699.23268 0 27023.39843 15323.2136 19858.73551 18353.00805 20479.34924 16874.5029 41609.32505 19832.08153 22702.032 54996.86759 45388.16596 44031.25028 34061.21368 N-Acetylglutamic acid_M+0 5233.609033 6222.324076 6380.889752 5543.39355 3144.637563 1803.534807 0 2815.781085 0 2146.001581 2616.565116 2934.070894 2835.963207 4006.515902 3605.924554 2986.189613 0 2605.905499 2968.301667 2360.670795 2847.795305 1909.497536 33608.82209 32973.58437 35368.33999 32398.24355 22677.28026 32880.84966 21110.89787 23135.74823 18576.23058 18596.81926 14380.85029 13891.10929 8582.122702 13434.55951 15709.06257 16007.17538 28369.19291 27070.04057 23458.97829 23532.10433 23042.00619 23179.05605 24062.49533 26093.446 N-Acetylglutamic acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3434.728645 2484.75017 3641.064171 2676.280324 2398.514484 2826.007633 2002.392908 2576.471533 0 0 1968.01529 2141.778229 0 2137.820405 2365.761254 0 6925.857547 6854.722013 4420.39982 4075.990796 4205.834162 4740.272455 4973.794871 5883.847971 N-Acetylglutamic acid_M+2 0 0 0 0 0 0 0 0 0 0 2338.175059 1878.155082 2971.718732 2712.782508 6246.575195 3601.548216 2106.865764 3268.114157 3025.241746 4475.628342 3659.171633 2827.689611 0 0 0 0 0 0 0 0 6847.462785 5934.578726 5684.113975 4731.03508 10895.06988 15166.08487 15960.91202 16911.58113 59228.59825 48156.67748 40708.28452 39873.79135 34927.66799 37036.94564 38650.55385 40213.31685 N-Acetylglutamic acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6847.839287 4878.327812 4730.45695 4600.503075 3911.680961 4841.236652 4907.243002 5094.774139 N-Acetylglutamic acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12783.49453 9456.046229 7495.990477 7608.121911 6737.111074 7124.058451 8239.075492 8339.531491 N-Acetylglutamic acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2561.026186 2912.631861 0 1947.824342 0 0 2626.099098 0 N-Acetylglutamic acid_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Acetylglutamic acid_M+7 0 0 0 0 0 0 0 0 0 0 0 0 2591.666574 0 0 0 0 0 0 0 0 0 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-Acetylaspartic acid_M+0 18101.62835 16902.78119 20151.44713 16017.30021 5059.690605 4513.606771 4677.106672 6659.390672 4486.551773 5945.425756 7935.088746 7902.832765 11940.25547 8109.077365 9033.980459 6633.843125 5508.757746 8857.315765 33490.64454 36630.51568 30066.58262 23502.01636 614506.823 618813.9944 681569.7144 575984.1164 456035.8075 585238.1617 404044.8087 451505.0869 414411.8055 387574.5666 330211.0401 300501.8151 226587.0474 310735.2676 361250.4347 323475.5372 548203.6462 500817.8392 463878.41 438695.4035 447865.7052 487474.6051 475253.6844 503145.2272 N-Acetylaspartic acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7564.715736 0 8536.554797 0 47718.21478 49401.20055 51316.38424 47850.31685 35041.89804 41829.04504 32685.98491 36686.60879 34888.66106 33990.43177 31087.56836 25481.6682 25343.94373 38106.08829 43584.99391 36059.03854 95256.71186 79762.94588 78110.06971 71086.30932 68487.80795 74077.90245 74404.5063 73363.57849 N-Acetylaspartic acid_M+2 0 0 0 0 0 0 0 2249.613808 0 0 6933.490467 6290.104644 8923.041798 6765.109465 13780.25452 7220.323684 7310.109733 9002.833572 44189.31311 44533.83442 43900.21825 31745.66509 7778.068733 7674.69935 9000.014144 7799.614978 6954.627538 8063.570726 5983.752225 6323.119622 81349.0589 71894.00668 60956.23052 56816.05792 171459.3014 240375.2412 273358.6805 245248.8816 789586.3341 667880.0348 617977.3664 567204.7441 482468.4466 501607.5968 523059.1089 528417.8028 N-Acetylaspartic acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7718.884396 9735.546883 11804.76785 6176.511992 0 0 0 0 0 0 0 0 8395.400673 7318.11748 6068.370644 5226.969367 16388.82242 22463.76829 24671.26901 22424.13095 86630.95141 74512.60731 72291.97545 63059.06303 59896.45268 63005.29858 68995.66148 68594.06256 N-Acetylaspartic acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3475.323986 0 0 0 13245.09111 12108.72453 13513.27482 10532.7622 0 0 0 0 0 0 0 0 3631.38 3712.452438 0 0 10161.76867 19406.47283 22790.12469 19451.73791 118073.242 95777.67146 90069.14072 76990.71525 73609.72781 76874.68685 83852.40313 84064.78011 N-Acetylaspartic acid_M+5 0 0 9370.915949 2688.810351 0 0 0 0 0 0 0 0 0 0 0 7219.698827 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 26976.88419 12729.90763 42822.59557 32275.22208 34112.84181 0 33272.29493 29937.81764 35115.24313 32926.90849 N-Acetylaspartic acid_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3715.984558 1754.969474 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8584.514823 6877.745883 4791.294594 4643.179284 6479.953466 5878.866778 7148.041891 7062.49902 Fructose 1,6-diphosphate_M+0 414887.3939 323217.6795 365801.976 472809.529 21776.54027 19295.31334 18007.19813 18490.619 9475.0871 14309.36701 18454.40757 17162.19506 20365.43812 16572.77758 32657.68428 23703.38708 17159.98343 22740.6385 0 18620.23628 0 16420.36556 300009.6978 11533.35756 12920.31476 13530.47532 18478.59174 11989.79169 11130.66024 13067.25973 31499.37615 18822.25494 22997.56781 23726.54527 13163.51151 14317.04863 18778.69163 19384.39179 13900.15789 15515.03014 22809.01472 14380.78266 27834.46291 28282.3519 28621.30869 29141.05806 Fructose 1,6-diphosphate_M+1 30275.236 25207.2214 26804.01213 34195.55692 0 0 0 0 0 0 0 0 0 0 2557.243346 0 0 0 0 0 0 0 22188.7476 12203.11577 15803.382 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3000.761635 0 0 0 0 0 0 Fructose 1,6-diphosphate_M+2 12487.76743 8989.974046 10524.37742 12841.97281 0 0 0 0 0 0 0 0 0 2515.583345 0 0 0 0 0 0 0 0 7080.03091 5141.80065 0 5158.499707 0 0 0 0 0 0 0 0 0 0 0 0 2409.710968 0 0 0 0 0 0 0 Fructose 1,6-diphosphate_M+3 0 0 0 0 14901.68812 18358.81531 18876.22459 12584.62247 14018.10107 15372.72195 11604.37394 13673.32926 20370.28097 18427.12693 18286.57091 12996.49772 13837.34911 20384.77894 0 0 0 0 0 0 0 0 14857.94778 12734.09596 16632.79067 16638.16241 8519.728845 8106.152963 8224.514015 8474.831992 9713.788205 7698.730187 6766.35508 8062.382069 7548.836162 6862.743985 6733.927504 4347.330717 0 0 0 0 Fructose 1,6-diphosphate_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2581.042084 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fructose 1,6-diphosphate_M+5 0 0 0 0 13928.09516 12751.05809 7496.652438 11432.505 8830.360299 10237.26271 15344.19891 14900.49321 17449.25884 15749.61591 25441.46069 18600.39538 13165.28476 18238.04648 6456.05853 7542.642242 8504.817233 4588.927202 0 0 0 0 9974.19767 9555.820966 12697.89458 14175.44887 0 14870.06195 14636.62349 14801.07969 7998.264004 8629.856716 11557.39198 11952.31465 11512.64974 8007.153538 15009.65823 10075.14828 9071.755175 9231.69745 8907.905004 12375.02313 Fructose 1,6-diphosphate_M+6 0 0 0 0 279065.8542 230196.1452 212735.1104 225515.3888 169939.8256 193751.0257 301378.1588 273765.7276 366279.083 336741.7063 506136.8541 328145.7182 283970.7913 372733.6512 117443.8897 8406.639893 138769.9091 0 1293.992675 0 1874.924174 0 201045.0869 170368.3192 224970.1853 270562.1129 241483.7843 305729.1516 329094.1383 285889.3462 168358.5629 204669.6594 245865.5498 263638.9591 224637.3395 199561.0205 269270.635 237664.722 9867.781346 230827.1748 14092.33796 17240.72469 6-Phosphogluconic acid_M+0 32122.73302 25233.52438 29165.3567 31215.6767 3727.574896 0 0 0 0 0 0 0 3463.121351 3327.052936 7725.463231 3290.491584 4661.085448 3732.188074 0 0 0 0 40227.57425 30532.19082 33692.58539 34898.07371 1308.141265 6645.726354 0 3276.922886 0 3698.452036 0 2841.978134 0 0 4962.26378 3230.550461 3932.051134 0 5600.860892 0 0 0 0 0 6-Phosphogluconic acid_M+1 0 0 0 2314.443597 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2545.666918 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6-Phosphogluconic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6-Phosphogluconic acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3203.875556 0 0 0 0 3415.832636 0 0 1621.253475 0 0 0 0 6-Phosphogluconic acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1656.764459 0 0 2420.93708 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6-Phosphogluconic acid_M+5 0 0 0 0 0 0 0 0 0 0 3825.509869 3256.056912 2939.058577 0 5689.89431 0 3238.055628 1603.532682 0 0 0 0 0 0 0 0 0 2838.995213 1988.812646 1986.088768 3133.897759 2862.246667 0 2957.16052 0 5191.719699 0 4925.980118 9250.976107 0 3576.800455 6365.673218 0 2046.299135 0 6072.816326 6-Phosphogluconic acid_M+6 0 0 0 0 22743.13319 17700.88199 14021.6719 21086.78984 16211.46201 17134.34771 29172.82647 27817.27359 36145.24178 31361.16598 55662.78832 37278.46773 31246.59733 34536.48287 16236.5747 12939.70883 15154.51824 11332.78944 0 0 0 0 27426.71024 40078.36697 28848.61023 31743.41985 46079.19815 41086.94662 28993.61409 32262.47838 27395.29157 37802.56008 48625.42102 40414.39545 69448.42387 41851.58919 50681.5841 47655.27162 40241.96509 43338.01721 36945.62344 40875.82591 NDS_divalent 984313.1377 915506.1236 898627.9645 909460.3852 875600.3388 906241.9916 923661.0906 933418.1245 911165.968 931001.3094 918726.211 931266.5662 1030372.654 966238.8662 914666.8449 924926.8406 971070.0137 942607.3717 972042.6177 971241.2075 982796.4412 970285.6673 1038531 951922.6289 1040765.407 1053511.463 967884.6934 956071.4362 957002.5365 988179.7754 975340.353 987827.2055 891590.4028 927008.1218 1012991.107 1001378.237 1044264.622 1012985.919 1022113.8 1013907.352 954234.47 978582.4733 958466.4703 1024290.149 995630.1253 1029127.915 3-Hydroxy-3-methylglutaric acid_M+0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6048.958509 7397.958871 8124.664581 5124.401878 7211.121326 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-Hydroxy-3-methylglutaric acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-Hydroxy-3-methylglutaric acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 1557.741123 0 0 0 0 0 0 1456.548603 1290.708886 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1481.200827 0 0 0 0 0 3-Hydroxy-3-methylglutaric acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-Hydroxy-3-methylglutaric acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 3172.953917 0 2486.741432 0 0 0 4929.996915 5287.339038 3843.051185 4086.662499 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4786.474633 3624.610884 7749.808208 6552.25152 5194.352064 5420.744635 0 3340.936282 4690.869834 3382.685073 3-Hydroxy-3-methylglutaric acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-Hydroxy-3-methylglutaric acid_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2862.331122 2325.503005 0 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-Carbamoylaspartic acid_M+0 32745.7435 32611.3463 32021.39965 30839.4691 25060.67937 30173.42033 27534.51156 27581.42583 26564.81139 31655.50718 20091.92273 24532.71647 30549.91943 28597.26995 25826.49134 23482.44077 21913.41235 27689.22082 17173.75764 15787.00585 16860.09146 11746.76637 22537.59146 20515.03482 21861.67366 20347.58752 28097.07389 26915.50473 28371.17207 30211.32053 23460.81797 23225.57969 14417.08147 14249.52453 20450.94131 24678.76478 26115.24899 24740.07211 32757.85318 29331.71105 26036.31702 27620.50259 12953.04466 13313.27305 15613.72297 12936.71196 N-Carbamoylaspartic acid_M+1 0 0 0 0 0 0 2344.518097 0 0 0 0 0 0 0 2926.978262 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4168.446617 3550.37896 4396.754588 0 0 0 0 0 N-Carbamoylaspartic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 10829.15931 0 10724.48866 0 0 9544.548712 0 0 0 0 0 0 0 0 0 0 5803.016943 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-Carbamoylaspartic acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3687.760267 0 0 0 3601.809106 3305.160552 1493.467949 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3803.19203 2519.746017 0 0 0 0 0 0 N-Carbamoylaspartic acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Carbamoylaspartic acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Phytic acid_divalent_M+0 17117.16215 16056.84447 18083.85024 17683.90278 8680.626159 7772.113176 0 18730.81476 11480.1863 18618.03779 15648.37422 17047.56561 20062.77126 24446.12475 26527.73112 17373.93644 15884.56862 20639.31121 3310.32762 4447.341193 5232.304562 0 21346.10491 10491.47999 7681.982751 8150.797337 6812.126474 0 9113.295718 10389.06547 25469.29521 7048.589557 15982.7391 26599.72508 18953.05786 37096.21017 30237.10531 32813.80686 40978.83396 9022.958394 41120.37126 34135.90233 23854.02719 10923.78607 0 0 Phytic acid_divalent_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Phytic acid_divalent_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Phytic acid_divalent_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Phytic acid_divalent_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Phytic acid_divalent_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Phytic acid_divalent_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PRPP_M+0 28478.07386 26904.49078 26607.79579 30132.54999 0 2813.86272 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17426.78591 0 22228.04773 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PRPP_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PRPP_M+2 0 0 0 0 0 0 0 4505.194718 4098.715767 0 0 2922.991685 0 1315.936636 0 0 3545.795966 4660.399304 0 0 0 0 0 0 0 0 0 0 4354.864999 4014.29382 0 0 0 2456.058863 0 6889.345355 0 0 5860.315125 0 0 0 0 0 0 0 PRPP_M+3 0 0 0 0 0 1492.619893 0 0 0 0 0 0 2188.690249 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PRPP_M+4 0 0 0 0 2984.267139 0 0 2349.411473 2550.414406 1348.487173 0 0 3142.821412 0 0 1928.715418 0 0 0 0 0 0 0 0 0 0 0 3489.523237 0 0 0 0 0 0 1858.546184 3100.744171 0 2569.6243 1921.556489 0 3095.225137 2361.118156 1743.502953 0 0 0 PRPP_M+5 0 0 0 0 17170.47859 21084.21376 13854.81905 37755.26564 19549.63231 21389.28166 25038.93509 23567.63622 24836.94925 29246.33297 22744.9677 29140.71137 24004.20259 25850.13081 33658.16693 39765.19854 34690.59903 32496.03926 0 0 0 0 29109.79672 24674.6132 32990.07461 19774.34343 29578.51801 24441.99238 20078.43236 18880.4997 23966.25094 26823.44866 33165.18584 31369.30449 47341.90214 33695.73259 36040.10249 25361.07454 16426.67846 18108.44038 20344.00599 17025.8967 2,3-Diphosphoglyceric acid_M+0 46365.89766 42963.1783 48199.25526 46539.15438 0 0 3182.839263 6987.49407 5288.349867 7899.325091 4841.170154 5624.48097 5581.501266 5785.315884 4380.729105 3160.779535 0 4971.090042 0 0 0 0 30790.89926 23415.79779 26742.15476 24820.40222 4393.924728 4098.51579 5743.329184 5166.773336 3646.698182 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2,3-Diphosphoglyceric acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2,3-Diphosphoglyceric acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2,3-Diphosphoglyceric acid_M+3 0 0 0 0 28553.52143 25802.10557 23280.75047 63699.8338 42077.93687 60274.67865 54451.92922 58183.0888 78038.33873 69752.61535 50645.12634 49342.44442 42966.11518 52989.81342 21290.23754 24144.90302 21698.35326 18394.3706 0 0 0 0 34301.60239 34441.31347 30214.89356 32211.65059 27167.03414 25592.04814 20842.41261 16937.20922 15459.96338 18584.70703 20786.74543 20420.33122 18630.85846 17254.81074 13626.76062 16383.43045 14192.5159 16691.31167 15490.49451 16768.22576 3-Phosphoglyceric acid_M+0 0 0 23036.08723 0 0 0 0 0 0 0 0 0 3766.17682 0 0 0 0 0 0 0 0 0 26129.17872 26988.46216 30660.16944 24550.9667 2989.807186 0 0 0 4533.812992 0 0 0 3483.467162 0 4110.966839 0 0 7231.714732 0 0 0 0 0 0 3-Phosphoglyceric acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-Phosphoglyceric acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3-Phosphoglyceric acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 39346.02669 0 0 0 0 28900.6505 0 0 0 0 0 0 0 0 21574.08725 0 0 16054.86855 37830.80461 25062.25883 0 18786.01122 30614.2083 27624.0693 34755.86176 28210.41506 37438.87622 47276.41631 28639.53655 30079.80446 33334.85525 28147.99469 40337.6703 38879.06084 Phosphoenolpyruvic acid_M+0 3349.430851 6328.023446 2332.722492 2687.87584 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5388.959995 7153.379975 7384.908984 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Phosphoenolpyruvic acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Phosphoenolpyruvic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Phosphoenolpyruvic acid_M+3 0 0 0 0 0 3061.995298 0 0 0 0 0 3762.313231 6226.092588 3772.323987 3086.870239 0 3704.295248 6515.567503 3135.501166 3586.240831 3069.644259 0 0 0 0 0 4594.005867 4535.762532 4115.322961 3296.801753 8580.081137 0 5828.722058 5801.299919 5028.347654 5922.340163 4309.111076 7280.954022 4078.274717 7233.674435 6033.200534 6765.797336 8930.228191 9053.646206 10171.29502 11510.47817 Succinic acid_M+0 55789.53443 49849.8204 51497.2192 45717.47768 37391.94657 38540.23507 34063.05815 52436.22845 60325.69567 57654.55364 45302.06267 56611.3323 75904.01922 61251.23871 64058.834 56230.10635 44317.6759 70960.36663 41593.74523 34644.94763 35315.69506 39019.06222 68288.47914 69307.13778 68485.35148 56109.27846 50346.97414 45631.98966 32436.11129 38276.66687 88455.30287 65122.43025 58294.63989 63835.61883 109832.401 112264.1842 98686.43424 86734.79552 114807.6866 122250.105 97819.84677 116959.1669 74723.77612 78740.17198 78477.00506 99234.61287 Succinic acid_M+1 4325.022833 2435.578713 3959.426807 3364.887654 3826.922363 2694.37468 0 3577.010501 0 3766.871945 0 0 5804.408658 3758.934021 6309.54685 4650.937704 0 5195.133092 5265.195149 4528.148699 3795.949813 0 0 0 5570.543748 3564.53664 0 0 0 0 5553.38112 0 3914.391346 4067.340625 7213.73983 7272.077406 7849.751126 6034.324838 8968.581664 11134.92996 7893.630333 10013.29649 7801.799094 6954.554997 8563.902447 6308.326351 Succinic acid_M+2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinic acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2294.912532 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2246.146172 0 0 0 0 0 Succinic acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Malic acid_M+0 1064299.916 922512.4302 1037484.503 1083756.802 739327.0631 799033.0566 698559.7546 1165578.026 1039465.666 1060756.34 797135.8384 851508.827 942806.9258 927319.4899 1104970.825 932884.4986 785020.5911 1079882.549 339260.0077 344420.2787 333314.9775 295838.9847 1318450.872 1082773.82 1194974.75 1175110.459 1101079.469 1172348.236 1040596.903 1063255.394 1677407.429 1529111.197 1354237.776 1258443.612 1376974.772 1632626.523 1753321.928 1574532.582 1730085.247 1587567.022 1495407.454 1537948.662 1008881.121 1043954.633 1067738.849 1146008.737 Malic acid_M+1 52028.86176 41413.87095 47942.16379 52207.86551 36268.21975 39710.22932 34767.13512 59246.86611 51464.44772 53821.40999 55860.70064 60468.80087 65481.52143 62188.80363 83613.76403 60399.42111 52164.83948 74743.06024 33348.66304 34541.01349 34246.61147 30720.82901 62578.71187 50810.18803 54380.4742 55872.06223 56085.37272 54820.07904 48818.30283 53819.994 86879.89869 81363.46276 70116.03722 64890.69143 76193.60592 97999.37549 107237.7044 96291.42693 143642.917 128062.2965 123409.4472 116763.3549 73311.72798 75061.93211 80491.63106 85520.32284 Malic acid_M+2 13403.35536 12008.04815 13406.19652 13915.24832 11546.48574 14543.60719 12237.00033 88842.44022 64646.03752 67472.23049 166753.0903 173549.0758 207735.5721 185161.2904 311408.9746 192430.8727 157818.4251 237920.9695 124827.9081 121070.4269 125657.1329 98753.0949 16379.45499 14533.4849 18019.81467 15451.76875 16130.35186 15361.58161 14524.9049 14409.93102 73075.07275 71884.18898 61405.82914 50040.74852 91405.08955 139085.031 161300.5309 142927.781 368979.8242 309109.6405 284056.7329 274230.8894 174655.8678 174660.397 188930.7201 190327.7753 Malic acid_M+3 0 0 0 0 0 0 0 16396.59445 9421.929212 12763.98874 50491.1008 56558.02337 67779.23672 54602.77307 114550.045 56449.97619 42125.85896 71977.61075 62937.42629 60641.17471 64881.20485 53689.24941 0 0 0 0 0 0 2476.605292 0 25316.05081 22378.46311 20797.59854 17524.5834 24618.79575 35587.58964 41881.35946 38447.05398 119819.7383 98387.01605 88848.64727 82191.98071 58378.8516 56520.65257 61283.04058 61972.86777 Malic acid_M+4 0 0 0 0 0 0 0 3753.297172 0 0 12256.37976 13966.2279 16289.22688 11444.0784 29947.54879 14470.48583 10123.47443 15005.26497 28073.55976 25052.04984 28604.4817 22681.8126 0 0 0 0 0 0 0 0 0 0 0 0 0 6965.032942 6967.967902 7415.14929 27895.83741 23687.01563 18637.89942 16923.45478 13043.74089 15558.16298 15313.99086 14035.33918 2-Oxoglutaric acid_M+0 58836.14771 65874.95488 0 0 41859.29354 0 35610.82513 53285.66764 57036.51717 50735.8058 0 57849.65721 61344.39864 0 0 54712.6596 53143.50681 0 0 47249.61248 0 0 0 39882.7386 37519.70475 41080.3807 40540.06013 0 0 0 61902.87059 0 0 46774.47097 56045.84067 62156.08305 62758.30017 69980.92499 0 108071.4 0 55475.44924 87280.20545 100584.6542 100013.5518 101202.6546 2-Oxoglutaric acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8707.720704 11008.87478 10489.29209 2-Oxoglutaric acid_M+2 0 0 0 0 0 0 0 0 0 0 11772.00055 8478.844919 12928.4066 0 19268.44006 11773.64625 10275.81449 0 0 12261.43962 9736.775616 8533.230552 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12307.36412 23759.94484 7054.651728 0 19642.86399 16747.81158 22096.78016 16474.77481 2-Oxoglutaric acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Oxoglutaric acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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-Oxoglutaric acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fumaric acid_M+0 76123.81004 79301.81193 76722.57624 77625.00671 62099.08963 61080.8635 55223.09347 87144.19462 78289.95242 84073.70764 62570.95445 60402.0634 78557.62141 78883.93569 90089.97416 68711.14683 63077.42415 79968.03135 38203.24001 40823.68323 31798.27031 23441.42718 89646.90983 71770.02718 69148.89087 71299.6244 49197.65959 93640.59993 76759.75623 72303.00679 46733.60733 103072.9584 88684.81989 55773.39716 93326.98173 110039.6716 114081.1021 102387.2334 120591.2248 87033.90207 95463.01971 105598.974 77652.47317 77112.14359 64889.99823 75579.11078 Fumaric acid_M+1 6202.700791 0 0 5158.296847 0 0 0 6169.802244 5572.784967 0 5253.215409 0 6898.484883 6124.388283 7551.267443 4014.447969 0 0 0 0 0 0 4798.452156 0 0 4299.718292 2548.51654 0 0 0 2409.760913 0 5704.176454 3359.245022 6521.332581 8109.135707 9066.224188 7915.261644 13788.31221 9460.802697 9763.0856 0 7192.736542 0 5591.199994 5818.971193 Fumaric acid_M+2 0 0 0 0 0 0 0 6861.439577 5065.573719 0 13099.0806 13154.62526 15834.30862 12722.30624 27914.85603 16306.42808 9186.495896 18449.73242 12155.70339 10786.87653 10578.71061 5476.030205 0 0 0 0 0 0 0 0 2289.167047 2568.036947 0 1888.507168 2206.600365 7859.692351 12448.53545 11686.2665 27357.12576 21467.66906 20887.39 20470.69348 14178.62174 12499.94979 10314.22146 10126.42131 Fumaric acid_M+3 0 0 0 0 0 0 0 0 0 0 4223.252664 0 6814.517503 3835.36471 10488.95839 5399.875586 4218.280837 5461.76353 7961.599415 6495.425743 5617.370698 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3782.278532 0 7870.198102 7837.342598 7332.516289 0 4833.184776 5344.892185 0 5615.551755 Fumaric acid_M+4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Citric acid_M+0 358846.7004 327211.9042 355945.2675 333298.9789 105042.0158 107974.3165 80290.0626 127871.1457 110661.1662 115573.8425 141102.0464 153353.1063 188083.327 174772.1945 223024.6431 183498.0028 154847.6923 202613.8697 94026.97546 100285.8221 92034.59081 78156.31728 98728.97324 94569.72031 101582.154 80983.18504 31565.9457 37484.40438 28466.59627 27685.21584 74090.36274 64383.69924 58887.73096 54480.88011 93800.82006 143464.4902 165803.2755 150284.4634 245216.127 227276.5917 191405.9399 192960.2452 159187.8385 162700.5471 182406.5966 178885.2563 Citric acid_M+1 26061.24728 24191.16579 27088.19226 27189.90392 8217.750956 8476.407888 5821.057332 13214.2396 11098.95121 12774.87577 21920.30968 23910.30658 30948.5884 28359.64847 40001.50485 30669.9076 24178.10952 33409.42234 17697.30767 19547.97649 17706.31252 15379.25864 8374.340149 5539.268841 6697.454769 5649.806163 1857.743739 0 0 0 8756.679088 7896.284745 6667.15731 6473.481994 11335.04771 20050.45116 25252.24802 21669.15552 54256.91272 49897.60545 43852.40858 35978.14691 29391.54439 29218.22381 32716.23228 32430.24106 Citric acid_M+2 7365.563562 4667.027059 6951.108674 0 60012.51171 60663.54738 51928.28212 225365.0797 161960.3376 185949.9424 414341.8034 452345.4892 567156.4182 527977.6837 892340.0824 627480.6947 490268.0068 716075.98 284236.8602 273472.2034 279810.0526 215683.5527 0 0 0 0 12900.33596 16529.16242 16697.80662 18483.0603 77164.19249 70760.48274 61945.09927 55622.52031 116552.2347 184926.461 221310.0051 203992.53 529066.9714 429243.4582 378334.2218 360896.3115 271198.9515 267735.7237 288528.0526 279204.6086 Citric acid_M+3 0 0 0 0 0 0 0 17142.96794 10121.1971 12401.22907 41034.40321 44310.31362 58692.51978 50503.78478 100300.6376 58909.25999 43090.62816 67148.07258 49531.84867 45752.26352 46055.08065 35073.11459 0 0 0 0 0 0 0 0 5913.539653 0 0 4232.889799 10403.0945 16382.52335 20284.19438 17729.41426 67783.90913 56474.33079 48003.52521 42118.0403 30928.39328 29225.7123 31998.18646 32560.29971 Citric acid_M+4 0 0 0 0 0 0 0 31655.83682 23360.03571 22212.94519 110960.7866 117338.9669 147870.3221 131860.2909 271165.2425 150544.3303 122987.3862 189050.3844 128799.5033 114094.2302 133900.3179 98331.2905 0 0 0 0 0 0 0 0 7794.492155 0 0 5426.607046 21356.87196 30141.8773 41788.40772 28916.85405 139632.3918 107359.0681 93494.66423 87643.94775 65168.42721 68937.99678 74445.96694 74952.30226 Citric acid_M+5 0 0 0 0 0 0 0 4088.332976 0 0 30476.0693 33619.26985 46653.94512 34150.28758 91241.20002 43691.41442 32929.8274 52144.02068 61021.98008 52839.42262 61736.93758 44162.55152 0 0 0 0 0 0 0 0 2043.072376 0 0 0 3578.915101 6335.411908 6461.155901 6975.840581 41054.11812 35975.80337 27111.97678 23223.07662 20822.6072 17680.30287 20932.88985 21394.36269 Citric acid_M+6 0 0 0 0 0 0 0 0 0 0 6706.724922 7405.008146 0 6357.842865 21207.61742 9208.116179 7395.914733 0 23476.23454 20288.76811 23311.47442 15822.89908 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10013.794 8542.539504 0 0 0 0 0 0 Trimesic acid 609402.0217 568127.8476 556168.9145 582911.8822 544467.6107 558192.0789 571375.1965 590424.3421 574737.1224 600056.7059 590238.8294 620196.4882 544281.8131 544279.3025 543176.0564 533204.9438 577774.3362 526814.1026 583448.0856 558289.3352 583868.4687 574139.4951 574221.7796 574289.3315 597910.428 578942.9769 465754.0534 593747.3545 574059.6101 606757.8994 493642.0877 595842.7826 566943.5866 376504.4184 580924.6388 582076.757 597013.3386 607460.4872 620904.5904 643619.4902 568496.6917 584362.8845 550430.2235 629778.7988 642613.5456 630579.9049 Isocitric acid_M+0 18920.97168 16465.37419 16996.71004 18130.16661 0 0 0 0 0 0 0 7045.285456 8909.860007 0 9766.707817 10829.37783 5860.36179 10054.73986 0 0 0 0 6932.014927 0 0 4458.836044 0 0 0 0 0 0 0 0 0 0 0 6828.125095 8182.744702 10422.11535 7718.007467 9081.742975 0 0 6829.186985 8131.593637 Isocitric acid_M+1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Isocitric acid_M+2 0 0 0 0 0 0 0 0 0 7597.526973 20227.79402 18418.67654 24986.33918 21053.9818 38612.81981 26269.04926 19408.36074 24167.66408 8572.529531 11780.96031 9944.920169 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6894.947433 10776.79737 17154.37698 15976.37397 17879.56084 13485.76269 9879.007158 11484.28039 10123.25473 15441.11418 Isocitric acid_M+3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Isocitric acid_M+4 0 0 2932.511395 0 0 0 0 0 0 0 0 11025.17292 0 3193.476049 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7382.589521 0 Isocitric acid_M+5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Isocitric acid_M+6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name quantified m/z Migration time KEGG ID HMDB NAD+_M+0 662.1019 6.600 C00003 HMDB00902 NAD+_M+1 663.105203 6.600 C00003 HMDB00902 NAD+_M+2 664.108553 6.600 C00003 HMDB00902 NAD+_M+3 665.111903 6.600 C00003 HMDB00902 NAD+_M+4 666.115253 6.600 C00003 HMDB00902 NAD+_M+5 667.118603 6.600 C00003 HMDB00902 NAD+_M+6 668.121953 6.600 C00003 HMDB00902 NAD+_M+7 669.125303 6.600 C00003 HMDB00902 NAD+_M+8 670.128653 6.600 C00003 HMDB00902 NAD+_M+9 671.132003 6.600 C00003 HMDB00902 NAD+_M+10 672.135353 6.600 C00003 HMDB00902 NAD+_M+11 673.138703 6.600 C00003 HMDB00902 NAD+_M+12 674.142053 6.600 C00003 HMDB00902 NAD+_M+13 675.145403 6.600 C00003 HMDB00902 NAD+_M+14 676.148753 6.600 C00003 HMDB00902 NAD+_M+15 677.152103 6.600 C00003 HMDB00902 NAD+_M+16 678.155453 6.600 C00003 HMDB00902 NAD+_M+17 679.158803 6.600 C00003 HMDB00902 NAD+_M+18 680.162153 6.600 C00003 HMDB00902 NAD+_M+19 681.165503 6.600 C00003 HMDB00902 NAD+_M+20 682.168853 6.600 C00003 HMDB00902 NAD+_M+21 683.172203 6.600 C00003 HMDB00902 Nicotinamide hypoxanthine dinucleotide_M+0 663.0859 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+1 664.089219 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+2 665.092569 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+3 666.095919 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+4 667.099269 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+5 668.102619 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+6 669.105969 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+7 670.109319 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+8 671.112669 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+9 672.116019 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+10 673.119369 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+11 674.122719 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+12 675.126069 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+13 676.129419 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+14 677.132769 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+15 678.136119 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+16 679.139469 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+17 680.142819 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+18 681.146169 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+19 682.149519 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+20 683.152869 6.669 C04423 - Nicotinamide hypoxanthine dinucleotide_M+21 684.156219 6.669 C04423 - CDP-choline_M+0 487.1001 6.822 C00307 HMDB01413 CDP-choline_M+1 488.103411 6.822 C00307 HMDB01413 CDP-choline_M+2 489.106761 6.822 C00307 HMDB01413 CDP-choline_M+3 490.110111 6.822 C00307 HMDB01413 CDP-choline_M+4 491.113461 6.822 C00307 HMDB01413 CDP-choline_M+5 492.116811 6.822 C00307 HMDB01413 CDP-choline_M+6 493.120161 6.822 C00307 HMDB01413 CDP-choline_M+7 494.123511 6.822 C00307 HMDB01413 CDP-choline_M+8 495.126861 6.822 C00307 HMDB01413 CDP-choline_M+9 496.130211 6.822 C00307 HMDB01413 CDP-choline_M+10 497.133561 6.822 C00307 HMDB01413 CDP-choline_M+11 498.136911 6.822 C00307 HMDB01413 CDP-choline_M+12 499.140261 6.822 C00307 HMDB01413 CDP-choline_M+13 500.143611 6.822 C00307 HMDB01413 CDP-choline_M+14 501.146961 6.822 C00307 HMDB01413 N-Acetylneuraminic acid_M+0 308.0987 7.243 C00270 HMDB00230 N-Acetylneuraminic acid_M+1 309.102058 7.243 C00270 HMDB00230 N-Acetylneuraminic acid_M+2 310.105408 7.243 C00270 HMDB00230 N-Acetylneuraminic acid_M+3 311.108758 7.243 C00270 HMDB00230 N-Acetylneuraminic acid_M+4 312.112108 7.243 C00270 HMDB00230 N-Acetylneuraminic acid_M+5 313.115458 7.243 C00270 HMDB00230 N-Acetylneuraminic acid_M+6 314.118808 7.243 C00270 HMDB00230 N-Acetylneuraminic acid_M+7 315.122158 7.243 C00270 HMDB00230 N-Acetylneuraminic acid_M+8 316.125508 7.243 C00270 HMDB00230 N-Acetylneuraminic acid_M+9 317.128858 7.243 C00270 HMDB00230 N-Acetylneuraminic acid_M+10 318.132208 7.243 C00270 HMDB00230 N-Acetylneuraminic acid_M+11 319.135558 7.243 C00270 HMDB00230 N-Acetylmuramic acid_M+0 292.1038 7.310 C02713 - N-Acetylmuramic acid_M+1 293.107143 7.310 C02713 - N-Acetylmuramic acid_M+2 294.110493 7.310 C02713 - N-Acetylmuramic acid_M+3 295.113843 7.310 C02713 - N-Acetylmuramic acid_M+4 296.117193 7.310 C02713 - N-Acetylmuramic acid_M+5 297.120543 7.310 C02713 - N-Acetylmuramic acid_M+6 298.123893 7.310 C02713 - N-Acetylmuramic acid_M+7 299.127243 7.310 C02713 - N-Acetylmuramic acid_M+8 300.130593 7.310 C02713 - N-Acetylmuramic acid_M+9 301.133943 7.310 C02713 - N-Acetylmuramic acid_M+10 302.137293 7.310 C02713 - N-Acetylmuramic acid_M+11 303.140643 7.310 C02713 - cAMP_M+0 328.0452 7.555 C00575 HMDB00058 cAMP_M+1 329.048597 7.555 C00575 HMDB00058 cAMP_M+2 330.051947 7.555 C00575 HMDB00058 cAMP_M+3 331.055297 7.555 C00575 HMDB00058 cAMP_M+4 332.058647 7.555 C00575 HMDB00058 cAMP_M+5 333.061997 7.555 C00575 HMDB00058 cAMP_M+6 334.065347 7.555 C00575 HMDB00058 cAMP_M+7 335.068697 7.555 C00575 HMDB00058 cAMP_M+8 336.072047 7.555 C00575 HMDB00058 cAMP_M+9 337.075397 7.555 C00575 HMDB00058 cAMP_M+10 338.078747 7.555 C00575 HMDB00058 Pantothenic acid_M+0 218.1034 7.637 C00864 HMDB00210 Pantothenic acid_M+1 219.106748 7.637 C00864 HMDB00210 Pantothenic acid_M+2 220.110098 7.637 C00864 HMDB00210 Pantothenic acid_M+3 221.113448 7.637 C00864 HMDB00210 Pantothenic acid_M+4 222.116798 7.637 C00864 HMDB00210 Pantothenic acid_M+5 223.120148 7.637 C00864 HMDB00210 Pantothenic acid_M+6 224.123498 7.637 C00864 HMDB00210 Pantothenic acid_M+7 225.126848 7.637 C00864 HMDB00210 Pantothenic acid_M+8 226.130198 7.637 C00864 HMDB00210 Pantothenic acid_M+9 227.133548 7.637 C00864 HMDB00210 cGMP_M+0 344.0402 7.649 C00942 HMDB01314 cGMP_M+1 345.043512 7.649 C00942 HMDB01314 cGMP_M+2 346.046862 7.649 C00942 HMDB01314 cGMP_M+3 347.050212 7.649 C00942 HMDB01314 cGMP_M+4 348.053562 7.649 C00942 HMDB01314 cGMP_M+5 349.056912 7.649 C00942 HMDB01314 cGMP_M+6 350.060262 7.649 C00942 HMDB01314 cGMP_M+7 351.063612 7.649 C00942 HMDB01314 cGMP_M+8 352.066962 7.649 C00942 HMDB01314 cGMP_M+9 353.070312 7.649 C00942 HMDB01314 cGMP_M+10 354.073662 7.649 C00942 HMDB01314 Lauric acid_M+0 199.1704 7.673 C02679 HMDB00638 Lauric acid_M+1 200.173704 7.673 C02679 HMDB00638 Lauric acid_M+2 201.177054 7.673 C02679 HMDB00638 Lauric acid_M+3 202.180404 7.673 C02679 HMDB00638 Lauric acid_M+4 203.183754 7.673 C02679 HMDB00638 Lauric acid_M+5 204.187104 7.673 C02679 HMDB00638 Lauric acid_M+6 205.190454 7.673 C02679 HMDB00638 Lauric acid_M+7 206.193804 7.673 C02679 HMDB00638 Lauric acid_M+8 207.197154 7.673 C02679 HMDB00638 Lauric acid_M+9 208.200504 7.673 C02679 HMDB00638 Lauric acid_M+10 209.203854 7.673 C02679 HMDB00638 Lauric acid_M+11 210.207204 7.673 C02679 HMDB00638 Lauric acid_M+12 211.210554 7.673 C02679 HMDB00638 Biotin_M+0 243.0809 7.777 C00120 HMDB00030 Biotin_M+1 244.084239 7.777 C00120 HMDB00030 Biotin_M+2 245.087589 7.777 C00120 HMDB00030 Biotin_M+3 246.090939 7.777 C00120 HMDB00030 Biotin_M+4 247.094289 7.777 C00120 HMDB00030 Biotin_M+5 248.097639 7.777 C00120 HMDB00030 Biotin_M+6 249.100989 7.777 C00120 HMDB00030 Biotin_M+7 250.104339 7.777 C00120 HMDB00030 Biotin_M+8 251.107689 7.777 C00120 HMDB00030 Biotin_M+9 252.111039 7.777 C00120 HMDB00030 Biotin_M+10 253.114389 7.777 C00120 HMDB00030 FAD_divalent_M+0 391.5713 7.940 C00016 HMDB01248 FAD_divalent_M+1 392.574645 8.940 C00017 HMDB01249 FAD_divalent_M+2 393.577995 9.940 C00018 HMDB01250 FAD_divalent_M+3 394.581345 10.940 C00019 HMDB01251 FAD_divalent_M+4 395.584695 11.940 C00020 HMDB01252 FAD_divalent_M+5 396.588045 12.940 C00021 HMDB01253 FAD_divalent_M+6 397.591395 13.940 C00022 HMDB01254 FAD_divalent_M+7 398.594745 14.940 C00023 HMDB01255 FAD_divalent_M+8 399.598095 15.940 C00024 HMDB01256 FAD_divalent_M+9 400.601445 16.940 C00025 HMDB01257 FAD_divalent_M+10 401.604795 17.940 C00026 HMDB01258 FAD_divalent_M+11 402.608145 18.940 C00027 HMDB01259 FAD_divalent_M+12 403.611495 19.940 C00028 HMDB01260 FAD_divalent_M+13 404.614845 20.940 C00029 HMDB01261 FAD_divalent_M+14 405.618195 21.940 C00030 HMDB01262 FAD_divalent_M+15 406.621545 22.940 C00031 HMDB01263 FAD_divalent_M+16 407.624895 23.940 C00032 HMDB01264 FAD_divalent_M+17 408.628245 24.940 C00033 HMDB01265 FAD_divalent_M+18 409.631595 25.940 C00034 HMDB01266 FAD_divalent_M+19 410.634945 26.940 C00035 HMDB01267 FAD_divalent_M+20 411.638295 27.940 C00036 HMDB01268 FAD_divalent_M+21 412.641645 28.940 C00037 HMDB01269 FAD_divalent_M+22 413.644995 29.940 C00038 HMDB01270 FAD_divalent_M+23 414.648345 30.940 C00039 HMDB01271 FAD_divalent_M+24 415.651695 31.940 C00040 HMDB01272 FAD_divalent_M+25 416.655045 32.940 C00041 HMDB01273 FAD_divalent_M+26 417.658395 33.940 C00042 HMDB01274 FAD_divalent_M+27 418.661745 34.940 C00043 HMDB01275 Decanoic acid_M+0 171.1391 8.008 C01571 HMDB00511 Decanoic acid_M+1 172.142404 8.008 C01571 HMDB00511 Decanoic acid_M+2 173.145754 8.008 C01571 HMDB00511 Decanoic acid_M+3 174.149104 8.008 C01571 HMDB00511 Decanoic acid_M+4 175.152454 8.008 C01571 HMDB00511 Decanoic acid_M+5 176.155804 8.008 C01571 HMDB00511 Decanoic acid_M+6 177.159154 8.008 C01571 HMDB00511 Decanoic acid_M+7 178.162504 8.008 C01571 HMDB00511 Decanoic acid_M+8 179.165854 8.008 C01571 HMDB00511 Decanoic acid_M+9 180.169204 8.008 C01571 HMDB00511 Decanoic acid_M+10 181.172554 8.008 C01571 HMDB00511 Ethanolamine phosphate_M+0 140.0118 8.064 C00346 HMDB00224 Ethanolamine phosphate_M+1 141.015171 8.064 C00346 HMDB00224 Ethanolamine phosphate_M+2 142.018521 8.064 C00346 HMDB00224 Glucuronic acid_M+0 193.0354 8.142 C00191 HMDB00127 Glucuronic acid_M+1 194.038729 8.142 C00191 HMDB00127 Glucuronic acid_M+2 195.042079 8.142 C00191 HMDB00127 Glucuronic acid_M+3 196.045429 8.142 C00191 HMDB00127 Glucuronic acid_M+4 197.048779 8.142 C00191 HMDB00127 Glucuronic acid_M+5 198.052129 8.142 C00191 HMDB00127 Glucuronic acid_M+6 199.055479 8.142 C00191 HMDB00127 CMP-N-acetylneuraminate_M+0 613.1400 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+1 614.143348 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+2 615.146698 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+3 616.150048 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+4 617.153398 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+5 618.156748 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+6 619.160098 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+7 620.163448 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+8 621.166798 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+9 622.170148 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+10 623.173498 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+11 624.176848 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+12 625.180198 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+13 626.183548 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+14 627.186898 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+15 628.190248 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+16 629.193598 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+17 630.196948 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+18 631.200298 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+19 632.203648 8.154 C00128 HMDB01176 CMP-N-acetylneuraminate_M+20 633.206998 8.154 C00128 HMDB01176 Pelargonic acid_M+0 157.1234 8.154 C01601 HMDB00847 Pelargonic acid_M+1 158.126754 8.154 C01601 HMDB00847 Pelargonic acid_M+2 159.130104 8.154 C01601 HMDB00847 Pelargonic acid_M+3 160.133454 8.154 C01601 HMDB00847 Pelargonic acid_M+4 161.136804 8.154 C01601 HMDB00847 Pelargonic acid_M+5 162.140154 8.154 C01601 HMDB00847 Pelargonic acid_M+6 163.143504 8.154 C01601 HMDB00847 Pelargonic acid_M+7 164.146854 8.154 C01601 HMDB00847 Pelargonic acid_M+8 165.150204 8.154 C01601 HMDB00847 Pelargonic acid_M+9 166.153554 8.154 C01601 HMDB00847 Gluconic acid_M+0 195.0510 8.198 C00257 HMDB00625 Gluconic acid_M+1 196.054379 8.198 C00257 HMDB00625 Gluconic acid_M+2 197.057729 8.198 C00257 HMDB00625 Gluconic acid_M+3 198.061079 8.198 C00257 HMDB00625 Gluconic acid_M+4 199.064429 8.198 C00257 HMDB00625 Gluconic acid_M+5 200.067779 8.198 C00257 HMDB00625 Gluconic acid_M+6 201.071129 8.198 C00257 HMDB00625 N-Acetylmethionine_M+0 190.0543 8.210 C02712 HMDB11745 N-Acetylmethionine_M+1 191.05769 8.210 C02712 HMDB11745 N-Acetylmethionine_M+2 192.06104 8.210 C02712 HMDB11745 N-Acetylmethionine_M+3 193.06439 8.210 C02712 HMDB11745 N-Acetylmethionine_M+4 194.06774 8.210 C02712 HMDB11745 N-Acetylmethionine_M+5 195.07109 8.210 C02712 HMDB11745 N-Acetylmethionine_M+6 196.07444 8.210 C02712 HMDB11745 N-Acetylmethionine_M+7 197.07779 8.210 C02712 HMDB11745 NADH_M+0 664.1175 8.219 C00004 HMDB01487 NADH_M+1 665.120853 8.219 C00004 HMDB01487 NADH_M+2 666.124203 8.219 C00004 HMDB01487 NADH_M+3 667.127553 8.219 C00004 HMDB01487 NADH_M+4 668.130903 8.219 C00004 HMDB01487 NADH_M+5 669.134253 8.219 C00004 HMDB01487 NADH_M+6 670.137603 8.219 C00004 HMDB01487 NADH_M+7 671.140953 8.219 C00004 HMDB01487 NADH_M+8 672.144303 8.219 C00004 HMDB01487 NADH_M+9 673.147653 8.219 C00004 HMDB01487 NADH_M+10 674.151003 8.219 C00004 HMDB01487 NADH_M+11 675.154353 8.219 C00004 HMDB01487 NADH_M+12 676.157703 8.219 C00004 HMDB01487 NADH_M+13 677.161053 8.219 C00004 HMDB01487 NADH_M+14 678.164403 8.219 C00004 HMDB01487 NADH_M+15 679.167753 8.219 C00004 HMDB01487 NADH_M+16 680.171103 8.219 C00004 HMDB01487 NADH_M+17 681.174453 8.219 C00004 HMDB01487 NADH_M+18 682.177803 8.219 C00004 HMDB01487 NADH_M+19 683.181153 8.219 C00004 HMDB01487 NADH_M+20 684.184503 8.219 C00004 HMDB01487 NADH_M+21 685.187853 8.219 C00004 HMDB01487 Galacturonic acid_M+0 193.0354 8.243 C00333 HMDB02545 Galacturonic acid_M+1 194.038729 8.243 C00333 HMDB02545 Galacturonic acid_M+2 195.042079 8.243 C00333 HMDB02545 Galacturonic acid_M+3 196.045429 8.243 C00333 HMDB02545 Galacturonic acid_M+4 197.048779 8.243 C00333 HMDB02545 Galacturonic acid_M+5 198.052129 8.243 C00333 HMDB02545 Galacturonic acid_M+6 199.055479 8.243 C00333 HMDB02545 Quinic acid_M+0 191.0561 8.292 C00296 HMDB03072 Quinic acid_M+1 192.059464 8.292 C00296 HMDB03072 Quinic acid_M+2 193.062814 8.292 C00296 HMDB03072 Quinic acid_M+3 194.066164 8.292 C00296 HMDB03072 Quinic acid_M+4 195.069514 8.292 C00296 HMDB03072 Quinic acid_M+5 196.072864 8.292 C00296 HMDB03072 Quinic acid_M+6 197.076214 8.292 C00296 HMDB03072 Quinic acid_M+7 198.079564 8.292 C00296 HMDB03072 GDP-mannose or GDP-galactose_M+0 604.0699 8.297 C00096 HMDB01163 GDP-mannose or GDP-galactose_M+1 605.073235 8.297 C00096 HMDB01163 GDP-mannose or GDP-galactose_M+2 606.076585 8.297 C00096 HMDB01163 GDP-mannose or GDP-galactose_M+3 607.079935 8.297 C00096 HMDB01163 GDP-mannose or GDP-galactose_M+4 608.083285 8.297 C00096 HMDB01163 GDP-mannose or GDP-galactose_M+5 609.086635 8.297 C00096 HMDB01163 GDP-mannose or GDP-galactose_M+6 610.089985 8.297 C00096 HMDB01163 GDP-mannose or GDP-galactose_M+7 611.093335 8.297 C00096 HMDB01163 GDP-mannose or GDP-galactose_M+8 612.096685 8.297 C00096 HMDB01163 GDP-mannose or GDP-galactose_M+9 613.100035 8.297 C00096 HMDB01163 GDP-mannose or GDP-galactose_M+10 614.103385 8.297 C00096 HMDB01163 GDP-mannose or GDP-galactose_M+11 615.106735 8.297 C00096 HMDB01163 GDP-mannose or GDP-galactose_M+12 616.110085 8.297 C00096 HMDB01163 GDP-mannose or GDP-galactose_M+13 617.113435 8.297 C00096 HMDB01163 GDP-mannose or GDP-galactose_M+14 618.116785 8.297 C00096 HMDB01163 GDP-mannose or GDP-galactose_M+15 619.120135 8.297 C00096 HMDB01163 GDP-mannose or GDP-galactose_M+16 620.123485 8.297 C00096 HMDB01163 ADP-glucose or GDP-fucose_M+0 588.0750 8.403 C00498 HMDB06557 ADP-glucose or GDP-fucose_M+1 589.07832 8.403 C00498 HMDB06557 ADP-glucose or GDP-fucose_M+2 590.08167 8.403 C00498 HMDB06557 ADP-glucose or GDP-fucose_M+3 591.08502 8.403 C00498 HMDB06557 ADP-glucose or GDP-fucose_M+4 592.08837 8.403 C00498 HMDB06557 ADP-glucose or GDP-fucose_M+5 593.09172 8.403 C00498 HMDB06557 ADP-glucose or GDP-fucose_M+6 594.09507 8.403 C00498 HMDB06557 ADP-glucose or GDP-fucose_M+7 595.09842 8.403 C00498 HMDB06557 ADP-glucose or GDP-fucose_M+8 596.10177 8.403 C00498 HMDB06557 ADP-glucose or GDP-fucose_M+9 597.10512 8.403 C00498 HMDB06557 ADP-glucose or GDP-fucose_M+10 598.10847 8.403 C00498 HMDB06557 ADP-glucose or GDP-fucose_M+11 599.11182 8.403 C00498 HMDB06557 ADP-glucose or GDP-fucose_M+12 600.11517 8.403 C00498 HMDB06557 ADP-glucose or GDP-fucose_M+13 601.11852 8.403 C00498 HMDB06557 ADP-glucose or GDP-fucose_M+14 602.12187 8.403 C00498 HMDB06557 ADP-glucose or GDP-fucose_M+15 603.12522 8.403 C00498 HMDB06557 ADP-glucose or GDP-fucose_M+16 604.12857 8.403 C00498 HMDB06557 UDP-N-acetylglucosamine_M+0 606.0743 8.463 C00043 HMDB00290 UDP-N-acetylglucosamine_M+1 607.077652 8.463 C00043 HMDB00290 UDP-N-acetylglucosamine_M+2 608.081002 8.463 C00043 HMDB00290 UDP-N-acetylglucosamine_M+3 609.084352 8.463 C00043 HMDB00290 UDP-N-acetylglucosamine_M+4 610.087702 8.463 C00043 HMDB00290 UDP-N-acetylglucosamine_M+5 611.091052 8.463 C00043 HMDB00290 UDP-N-acetylglucosamine_M+6 612.094402 8.463 C00043 HMDB00290 UDP-N-acetylglucosamine_M+7 613.097752 8.463 C00043 HMDB00290 UDP-N-acetylglucosamine_M+8 614.101102 8.463 C00043 HMDB00290 UDP-N-acetylglucosamine_M+9 615.104452 8.463 C00043 HMDB00290 UDP-N-acetylglucosamine_M+10 616.107802 8.463 C00043 HMDB00290 UDP-N-acetylglucosamine_M+11 617.111152 8.463 C00043 HMDB00290 UDP-N-acetylglucosamine_M+12 618.114502 8.463 C00043 HMDB00290 UDP-N-acetylglucosamine_M+13 619.117852 8.463 C00043 HMDB00290 UDP-N-acetylglucosamine_M+14 620.121202 8.463 C00043 HMDB00290 UDP-N-acetylglucosamine_M+15 621.124552 8.463 C00043 HMDB00290 UDP-N-acetylglucosamine_M+16 622.127902 8.463 C00043 HMDB00290 UDP-N-acetylglucosamine_M+17 623.131252 8.463 C00043 HMDB00290 Hippuric acid_M+0 178.0510 8.499 C01586 HMDB00714 Hippuric acid_M+1 179.054318 8.499 C01586 HMDB00714 Hippuric acid_M+2 180.057668 8.499 C01586 HMDB00714 Hippuric acid_M+3 181.061018 8.499 C01586 HMDB00714 Hippuric acid_M+4 182.064368 8.499 C01586 HMDB00714 Hippuric acid_M+5 183.067718 8.499 C01586 HMDB00714 Hippuric acid_M+6 184.071068 8.499 C01586 HMDB00714 Hippuric acid_M+7 185.074418 8.499 C01586 HMDB00714 Hippuric acid_M+8 186.077768 8.499 C01586 HMDB00714 Hippuric acid_M+9 187.081118 8.499 C01586 HMDB00714 IS_CSA 231.069656 8.510233 - - ADP-ribose_M+0 558.0644 8.546 C00301 HMDB01178 ADP-ribose_M+1 559.067755 8.546 C00301 HMDB01178 ADP-ribose_M+2 560.071105 8.546 C00301 HMDB01178 ADP-ribose_M+3 561.074455 8.546 C00301 HMDB01178 ADP-ribose_M+4 562.077805 8.546 C00301 HMDB01178 ADP-ribose_M+5 563.081155 8.546 C00301 HMDB01178 ADP-ribose_M+6 564.084505 8.546 C00301 HMDB01178 ADP-ribose_M+7 565.087855 8.546 C00301 HMDB01178 ADP-ribose_M+8 566.091205 8.546 C00301 HMDB01178 ADP-ribose_M+9 567.094555 8.546 C00301 HMDB01178 ADP-ribose_M+10 568.097905 8.546 C00301 HMDB01178 ADP-ribose_M+11 569.101255 8.546 C00301 HMDB01178 ADP-ribose_M+12 570.104605 8.546 C00301 HMDB01178 ADP-ribose_M+13 571.107955 8.546 C00301 HMDB01178 ADP-ribose_M+14 572.111305 8.546 C00301 HMDB01178 ADP-ribose_M+15 573.114655 8.546 C00301 HMDB01178 dTDP-glucose_M+0 563.0685 8.567 C00842 HMDB01328 dTDP-glucose_M+1 564.071838 9.567 C00843 HMDB01329 dTDP-glucose_M+2 565.075188 10.567 C00844 HMDB01330 dTDP-glucose_M+3 566.078538 11.567 C00845 HMDB01331 dTDP-glucose_M+4 567.081888 12.567 C00846 HMDB01332 dTDP-glucose_M+5 568.085238 13.567 C00847 HMDB01333 dTDP-glucose_M+6 569.088588 14.567 C00848 HMDB01334 dTDP-glucose_M+7 570.091938 15.567 C00849 HMDB01335 dTDP-glucose_M+8 571.095288 16.567 C00850 HMDB01336 dTDP-glucose_M+9 572.098638 17.567 C00851 HMDB01337 dTDP-glucose_M+10 573.101988 18.567 C00852 HMDB01338 dTDP-glucose_M+11 574.105338 19.567 C00853 HMDB01339 dTDP-glucose_M+12 575.108688 20.567 C00854 HMDB01340 dTDP-glucose_M+13 576.112038 21.567 C00855 HMDB01341 dTDP-glucose_M+14 577.115388 22.567 C00856 HMDB01342 dTDP-glucose_M+15 578.118738 23.567 C00857 HMDB01343 dTDP-glucose_M+16 579.122088 24.567 C00858 HMDB01344 UDP-glucose or UDP-galactose_M+0 565.0478 8.641 C00029 HMDB00286 UDP-glucose or UDP-galactose_M+1 566.051103 8.641 C00029 HMDB00286 UDP-glucose or UDP-galactose_M+2 567.054453 8.641 C00029 HMDB00286 UDP-glucose or UDP-galactose_M+3 568.057803 8.641 C00029 HMDB00286 UDP-glucose or UDP-galactose_M+4 569.061153 8.641 C00029 HMDB00286 UDP-glucose or UDP-galactose_M+5 570.064503 8.641 C00029 HMDB00286 UDP-glucose or UDP-galactose_M+6 571.067853 8.641 C00029 HMDB00286 UDP-glucose or UDP-galactose_M+7 572.071203 8.641 C00029 HMDB00286 UDP-glucose or UDP-galactose_M+8 573.074553 8.641 C00029 HMDB00286 UDP-glucose or UDP-galactose_M+9 574.077903 8.641 C00029 HMDB00286 UDP-glucose or UDP-galactose_M+10 575.081253 8.641 C00029 HMDB00286 UDP-glucose or UDP-galactose_M+11 576.084603 8.641 C00029 HMDB00286 UDP-glucose or UDP-galactose_M+12 577.087953 8.641 C00029 HMDB00286 UDP-glucose or UDP-galactose_M+13 578.091303 8.641 C00029 HMDB00286 UDP-glucose or UDP-galactose_M+14 579.094653 8.641 C00029 HMDB00286 UDP-glucose or UDP-galactose_M+15 580.098003 8.641 C00029 HMDB00286 Glucosamine 6-phosphate_M+0 258.0384 8.878 C00352 HMDB01254 Glucosamine 6-phosphate_M+1 259.041781 8.878 C00352 HMDB01254 Glucosamine 6-phosphate_M+2 260.045131 8.878 C00352 HMDB01254 Glucosamine 6-phosphate_M+3 261.048481 8.878 C00352 HMDB01254 Glucosamine 6-phosphate_M+4 262.051831 8.878 C00352 HMDB01254 Glucosamine 6-phosphate_M+5 263.055181 8.878 C00352 HMDB01254 Glucosamine 6-phosphate_M+6 264.058531 8.878 C00352 HMDB01254 Uric acid_M+0 167.0211 8.938 C00366 HMDB00289 Uric acid_M+1 168.024415 9.938 C00367 HMDB00290 Uric acid_M+2 169.027765 10.938 C00368 HMDB00291 Uric acid_M+3 170.031115 11.938 C00369 HMDB00292 Uric acid_M+4 171.034465 12.938 C00370 HMDB00293 Uric acid_M+5 172.037815 13.938 C00371 HMDB00294 trans-Cinnamic acid?_M+0 147.0452 8.977 C00423 HMDB00930 trans-Cinnamic acid?_M+1 148.048504 8.977 C00423 HMDB00930 trans-Cinnamic acid?_M+2 149.051854 8.977 C00423 HMDB00930 trans-Cinnamic acid?_M+3 150.055204 8.977 C00423 HMDB00930 trans-Cinnamic acid?_M+4 151.058554 8.977 C00423 HMDB00930 trans-Cinnamic acid?_M+5 152.061904 8.977 C00423 HMDB00930 trans-Cinnamic acid?_M+6 153.065254 8.977 C00423 HMDB00930 trans-Cinnamic acid?_M+7 154.068604 8.977 C00423 HMDB00930 trans-Cinnamic acid?_M+8 155.071954 8.977 C00423 HMDB00930 trans-Cinnamic acid?_M+9 156.075304 8.977 C00423 HMDB00930 Hexanoic acid_M+0 115.0765 8.988 C01585 HMDB00535 Hexanoic acid_M+1 116.079804 8.988 C01585 HMDB00535 Hexanoic acid_M+2 117.083154 8.988 C01585 HMDB00535 Hexanoic acid_M+3 118.086504 8.988 C01585 HMDB00535 Hexanoic acid_M+4 119.089854 8.988 C01585 HMDB00535 Hexanoic acid_M+5 120.093204 8.988 C01585 HMDB00535 Hexanoic acid_M+6 121.096554 8.988 C01585 HMDB00535 N-Acetyl-β-alanine_M+0 130.0510 9.022 C01073 - N-Acetyl-β-alanine_M+1 131.054318 9.022 C01073 - N-Acetyl-β-alanine_M+2 132.057668 9.022 C01073 - N-Acetyl-β-alanine_M+3 133.061018 9.022 C01073 - N-Acetyl-β-alanine_M+4 134.064368 9.022 C01073 - N-Acetyl-β-alanine_M+5 135.067718 9.022 C01073 - 5-Oxohexanoic acid_M+0 129.0557 9.166 C02129 - 5-Oxohexanoic acid_M+1 130.059069 9.166 C02129 - 5-Oxohexanoic acid_M+2 131.062419 9.166 C02129 - 5-Oxohexanoic acid_M+3 132.065769 9.166 C02129 - 5-Oxohexanoic acid_M+4 133.069119 9.166 C02129 - 5-Oxohexanoic acid_M+5 134.072469 9.166 C02129 - 5-Oxohexanoic acid_M+6 135.075819 9.166 C02129 - GMP_M+0 362.0507 9.174 C00144 HMDB01397 GMP_M+1 363.054077 9.174 C00144 HMDB01397 GMP_M+2 364.057427 9.174 C00144 HMDB01397 GMP_M+3 365.060777 9.174 C00144 HMDB01397 GMP_M+4 366.064127 9.174 C00144 HMDB01397 GMP_M+5 367.067477 9.174 C00144 HMDB01397 GMP_M+6 368.070827 9.174 C00144 HMDB01397 GMP_M+7 369.074177 9.174 C00144 HMDB01397 GMP_M+8 370.077527 9.174 C00144 HMDB01397 GMP_M+9 371.080877 9.174 C00144 HMDB01397 GMP_M+10 372.084227 9.174 C00144 HMDB01397 p-Toluic acid-M+0 135.0452 9.174 C01454 - p-Toluic acid-M+1 136.048504 9.174 C01454 - p-Toluic acid-M+2 137.051854 9.174 C01454 - p-Toluic acid-M+3 138.055204 9.174 C01454 - p-Toluic acid-M+4 139.058554 9.174 C01454 - p-Toluic acid-M+5 140.061904 9.174 C01454 - p-Toluic acid-M+6 141.065254 9.174 C01454 - p-Toluic acid-M+7 142.068604 9.174 C01454 - p-Toluic acid-M+8 143.071954 9.174 C01454 - N-Acetylglucosamine 6-phosphate_M+0 300.0490 9.233 C00357 HMDB01062 N-Acetylglucosamine 6-phosphate_M+1 301.052346 9.233 C00357 HMDB01062 N-Acetylglucosamine 6-phosphate_M+2 302.055696 9.233 C00357 HMDB01062 N-Acetylglucosamine 6-phosphate_M+3 303.059046 9.233 C00357 HMDB01062 N-Acetylglucosamine 6-phosphate_M+4 304.062396 9.233 C00357 HMDB01062 N-Acetylglucosamine 6-phosphate_M+5 305.065746 9.233 C00357 HMDB01062 N-Acetylglucosamine 6-phosphate_M+6 306.069096 9.233 C00357 HMDB01062 N-Acetylglucosamine 6-phosphate_M+7 307.072446 9.233 C00357 HMDB01062 N-Acetylglucosamine 6-phosphate_M+8 308.075796 9.233 C00357 HMDB01062 Threonic acid_M+0 135.0299 9.300 C01620 HMDB00943 Threonic acid_M+1 136.033249 9.300 C01620 HMDB00943 Threonic acid_M+2 137.036599 9.300 C01620 HMDB00943 Threonic acid_M+3 138.039949 9.300 C01620 HMDB00943 Threonic acid_M+4 139.043299 9.300 C01620 HMDB00943 AMP or dGMP_M+0 346.0558 9.302 C00020 HMDB00045 AMP or dGMP_M+1 347.059162 9.302 C00020 HMDB00045 AMP or dGMP_M+2 348.062512 9.302 C00020 HMDB00045 AMP or dGMP_M+3 349.065862 9.302 C00020 HMDB00045 AMP or dGMP_M+4 350.069212 9.302 C00020 HMDB00045 AMP or dGMP_M+5 351.072562 9.302 C00020 HMDB00045 AMP or dGMP_M+6 352.075912 9.302 C00020 HMDB00045 AMP or dGMP_M+7 353.079262 9.302 C00020 HMDB00045 AMP or dGMP_M+8 354.082612 9.302 C00020 HMDB00045 AMP or dGMP_M+9 355.085962 9.302 C00020 HMDB00045 AMP or dGMP_M+10 356.089312 9.302 C00020 HMDB00045 6-Hydroxynicotinic acid_M+0 138.0197 9.309 C01020 HMDB02658 6-Hydroxynicotinic acid_M+1 139.023018 9.309 C01020 HMDB02658 6-Hydroxynicotinic acid_M+2 140.026368 9.309 C01020 HMDB02658 6-Hydroxynicotinic acid_M+3 141.029718 9.309 C01020 HMDB02658 6-Hydroxynicotinic acid_M+4 142.033068 9.309 C01020 HMDB02658 6-Hydroxynicotinic acid_M+5 143.036418 9.309 C01020 HMDB02658 6-Hydroxynicotinic acid_M+6 144.039768 9.309 C01020 HMDB02658 Valeric acid_M+0 101.0608 9.380 C00803 HMDB00892 Valeric acid_M+1 102.064154 9.380 C00803 HMDB00892 Valeric acid_M+2 103.067504 9.380 C00803 HMDB00892 Valeric acid_M+3 104.070854 9.380 C00803 HMDB00892 Valeric acid_M+4 105.074204 9.380 C00803 HMDB00892 Valeric acid_M+5 106.077554 9.380 C00803 HMDB00892 NADP+_M+0 742.0682 9.453 C00006 HMDB00217 NADP+_M+1 743.071536 9.453 C00006 HMDB00217 NADP+_M+2 744.074886 9.453 C00006 HMDB00217 NADP+_M+3 745.078236 9.453 C00006 HMDB00217 NADP+_M+4 746.081586 9.453 C00006 HMDB00217 NADP+_M+5 747.084936 9.453 C00006 HMDB00217 NADP+_M+6 748.088286 9.453 C00006 HMDB00217 NADP+_M+7 749.091636 9.453 C00006 HMDB00217 NADP+_M+8 750.094986 9.453 C00006 HMDB00217 NADP+_M+9 751.098336 9.453 C00006 HMDB00217 NADP+_M+10 752.101686 9.453 C00006 HMDB00217 NADP+_M+11 753.105036 9.453 C00006 HMDB00217 NADP+_M+12 754.108386 9.453 C00006 HMDB00217 NADP+_M+13 755.111736 9.453 C00006 HMDB00217 NADP+_M+14 756.115086 9.453 C00006 HMDB00217 NADP+_M+15 757.118436 9.453 C00006 HMDB00217 NADP+_M+16 758.121786 9.453 C00006 HMDB00217 NADP+_M+17 759.125136 9.453 C00006 HMDB00217 NADP+_M+18 760.128486 9.453 C00006 HMDB00217 NADP+_M+19 761.131836 9.453 C00006 HMDB00217 NADP+_M+20 762.135186 9.453 C00006 HMDB00217 NADP+_M+21 763.138536 9.453 C00006 HMDB00217 Dihydroorotic acid_M+0 157.0255 9.457 C00337 HMDB00528 Dihydroorotic acid_M+1 158.028832 9.457 C00337 HMDB00528 Dihydroorotic acid_M+2 159.032182 9.457 C00337 HMDB00528 Dihydroorotic acid_M+3 160.035532 9.457 C00337 HMDB00528 Dihydroorotic acid_M+4 161.038882 9.457 C00337 HMDB00528 Dihydroorotic acid_M+5 162.042232 9.457 C00337 HMDB00528 5-Aminoimidazole-4-carboxamide ribotide_M+0 337.0555 9.466 C04677 HMDB01517 5-Aminoimidazole-4-carboxamide ribotide_M+1 338.058828 9.466 C04677 HMDB01517 5-Aminoimidazole-4-carboxamide ribotide_M+2 339.062178 9.466 C04677 HMDB01517 5-Aminoimidazole-4-carboxamide ribotide_M+3 340.065528 9.466 C04677 HMDB01517 5-Aminoimidazole-4-carboxamide ribotide_M+4 341.068878 9.466 C04677 HMDB01517 5-Aminoimidazole-4-carboxamide ribotide_M+5 342.072228 9.466 C04677 HMDB01517 5-Aminoimidazole-4-carboxamide ribotide_M+6 343.075578 9.466 C04677 HMDB01517 5-Aminoimidazole-4-carboxamide ribotide_M+7 344.078928 9.466 C04677 HMDB01517 5-Aminoimidazole-4-carboxamide ribotide_M+8 345.082278 9.466 C04677 HMDB01517 5-Aminoimidazole-4-carboxamide ribotide_M+9 346.085628 9.466 C04677 HMDB01517 5-Oxoproline_M+0 128.0353 9.546 C01879 HMDB00267 5-Oxoproline_M+1 129.038668 9.546 C01879 HMDB00267 5-Oxoproline_M+2 130.042018 9.546 C01879 HMDB00267 5-Oxoproline_M+3 131.045368 9.546 C01879 HMDB00267 5-Oxoproline_M+4 132.048718 9.546 C01879 HMDB00267 5-Oxoproline_M+5 133.052068 9.546 C01879 HMDB00267 3@4-Methyl-2-oxovaleric acid_M+0 129.0557 9.570 C00233 HMDB00695 3@4-Methyl-2-oxovaleric acid_M+1 130.059069 9.570 C00233 HMDB00695 3@4-Methyl-2-oxovaleric acid_M+2 131.062419 9.570 C00233 HMDB00695 3@4-Methyl-2-oxovaleric acid_M+3 132.065769 9.570 C00233 HMDB00695 3@4-Methyl-2-oxovaleric acid_M+4 133.069119 9.570 C00233 HMDB00695 3@4-Methyl-2-oxovaleric acid_M+5 134.072469 9.570 C00233 HMDB00695 3@4-Methyl-2-oxovaleric acid_M+6 135.075819 9.570 C00233 HMDB00695 IMP_M+0 347.0398 9.616 C00130 HMDB00175 IMP_M+1 348.043178 9.616 C00130 HMDB00175 IMP_M+2 349.046528 9.616 C00130 HMDB00175 IMP_M+3 350.049878 9.616 C00130 HMDB00175 IMP_M+4 351.053228 9.616 C00130 HMDB00175 IMP_M+5 352.056578 9.616 C00130 HMDB00175 IMP_M+6 353.059928 9.616 C00130 HMDB00175 IMP_M+7 354.063278 9.616 C00130 HMDB00175 IMP_M+8 355.066628 9.616 C00130 HMDB00175 IMP_M+9 356.069978 9.616 C00130 HMDB00175 IMP_M+10 357.073328 9.616 C00130 HMDB00175 dTMP_M+0 321.0493 9.616 C00364 HMDB01227 dTMP_M+1 322.05265 9.616 C00364 HMDB01227 dTMP_M+2 323.056 9.616 C00364 HMDB01227 dTMP_M+3 324.05935 9.616 C00364 HMDB01227 dTMP_M+4 325.0627 9.616 C00364 HMDB01227 dTMP_M+5 326.06605 9.616 C00364 HMDB01227 dTMP_M+6 327.0694 9.616 C00364 HMDB01227 dTMP_M+7 328.07275 9.616 C00364 HMDB01227 dTMP_M+8 329.0761 9.616 C00364 HMDB01227 dTMP_M+9 330.07945 9.616 C00364 HMDB01227 dTMP_M+10 331.0828 9.616 C00364 HMDB01227 3-Hydroxybutyric acid_M+0 103.0401 9.624 C01089,C03197 HMDB00011,HMDB00357,HMDB00442 3-Hydroxybutyric acid_M+1 104.043419 9.624 C01089,C03197 HMDB00011,HMDB00357,HMDB00442 3-Hydroxybutyric acid_M+2 105.046769 9.624 C01089,C03197 HMDB00011,HMDB00357,HMDB00442 3-Hydroxybutyric acid_M+3 106.050119 9.624 C01089,C03197 HMDB00011,HMDB00357,HMDB00442 3-Hydroxybutyric acid_M+4 107.053469 9.624 C01089,C03197 HMDB00011,HMDB00357,HMDB00442 N-Acetylglucosamine 1-phosphate_M+0 300.0490 9.633 C04256 HMDB01367 N-Acetylglucosamine 1-phosphate_M+1 301.052346 9.633 C04256 HMDB01367 N-Acetylglucosamine 1-phosphate_M+2 302.055696 9.633 C04256 HMDB01367 N-Acetylglucosamine 1-phosphate_M+3 303.059046 9.633 C04256 HMDB01367 N-Acetylglucosamine 1-phosphate_M+4 304.062396 9.633 C04256 HMDB01367 N-Acetylglucosamine 1-phosphate_M+5 305.065746 9.633 C04256 HMDB01367 N-Acetylglucosamine 1-phosphate_M+6 306.069096 9.633 C04256 HMDB01367 N-Acetylglucosamine 1-phosphate_M+7 307.072446 9.633 C04256 HMDB01367 N-Acetylglucosamine 1-phosphate_M+8 308.075796 9.633 C04256 HMDB01367 CMP_M+0 322.0446 9.662 C00055 HMDB00095 CMP_M+1 323.047929 9.662 C00055 HMDB00095 CMP_M+2 324.051279 9.662 C00055 HMDB00095 CMP_M+3 325.054629 9.662 C00055 HMDB00095 CMP_M+4 326.057979 9.662 C00055 HMDB00095 CMP_M+5 327.061329 9.662 C00055 HMDB00095 CMP_M+6 328.064679 9.662 C00055 HMDB00095 CMP_M+7 329.068029 9.662 C00055 HMDB00095 CMP_M+8 330.071379 9.662 C00055 HMDB00095 CMP_M+9 331.074729 9.662 C00055 HMDB00095 Sedoheptulose 7-phosphate_M+0 289.0330 9.699 C05382 HMDB01068 Sedoheptulose 7-phosphate_M+1 290.036362 9.699 C05382 HMDB01068 Sedoheptulose 7-phosphate_M+2 291.039712 9.699 C05382 HMDB01068 Sedoheptulose 7-phosphate_M+3 292.043062 9.699 C05382 HMDB01068 Sedoheptulose 7-phosphate_M+4 293.046412 9.699 C05382 HMDB01068 Sedoheptulose 7-phosphate_M+5 294.049762 9.699 C05382 HMDB01068 Sedoheptulose 7-phosphate_M+6 295.053112 9.699 C05382 HMDB01068 Sedoheptulose 7-phosphate_M+7 296.056462 9.699 C05382 HMDB01068 Glucose 6-phosphate_M+0 259.0224 9.825 C00668,C01172,C00092 HMDB01401 Glucose 6-phosphate_M+1 260.025797 9.825 C00668,C01172,C00092 HMDB01401 Glucose 6-phosphate_M+2 261.029147 9.825 C00668,C01172,C00092 HMDB01401 Glucose 6-phosphate_M+3 262.032497 9.825 C00668,C01172,C00092 HMDB01401 Glucose 6-phosphate_M+4 263.035847 9.825 C00668,C01172,C00092 HMDB01401 Glucose 6-phosphate_M+5 264.039197 9.825 C00668,C01172,C00092 HMDB01401 Glucose 6-phosphate_M+6 265.042547 9.825 C00668,C01172,C00092 HMDB01401 UMP_M+0 323.0286 9.862 C00105 HMDB00288 UMP_M+1 324.031945 9.862 C00105 HMDB00288 UMP_M+2 325.035295 9.862 C00105 HMDB00288 UMP_M+3 326.038645 9.862 C00105 HMDB00288 UMP_M+4 327.041995 9.862 C00105 HMDB00288 UMP_M+5 328.045345 9.862 C00105 HMDB00288 UMP_M+6 329.048695 9.862 C00105 HMDB00288 UMP_M+7 330.052045 9.862 C00105 HMDB00288 UMP_M+8 331.055395 9.862 C00105 HMDB00288 UMP_M+9 332.058745 9.862 C00105 HMDB00288 2-Hydroxybutyric acid_M+0 103.0401 9.869 C05984 HMDB00008 2-Hydroxybutyric acid_M+1 104.043419 9.869 C05984 HMDB00008 2-Hydroxybutyric acid_M+2 105.046769 9.869 C05984 HMDB00008 2-Hydroxybutyric acid_M+3 106.050119 9.869 C05984 HMDB00008 2-Hydroxybutyric acid_M+4 107.053469 9.869 C05984 HMDB00008 Benzoic acid_M+0 121.0295 9.944 C00180 HMDB01870 Benzoic acid_M+1 122.032854 9.944 C00180 HMDB01870 Benzoic acid_M+2 123.036204 9.944 C00180 HMDB01870 Benzoic acid_M+3 124.039554 9.944 C00180 HMDB01870 Benzoic acid_M+4 125.042904 9.944 C00180 HMDB01870 Benzoic acid_M+5 126.046254 9.944 C00180 HMDB01870 Benzoic acid_M+6 127.049604 9.944 C00180 HMDB01870 Benzoic acid_M+7 128.052954 9.944 C00180 HMDB01870 Butyric acid or Isobutyric acid_M+0 87.0452 9.900 C02632 HMDB01873 Butyric acid or Isobutyric acid_M+1 88.048504 9.900 C02632 HMDB01873 Butyric acid or Isobutyric acid_M+2 89.051854 9.900 C02632 HMDB01873 Butyric acid or Isobutyric acid_M+3 90.055204 9.900 C02632 HMDB01873 Butyric acid or Isobutyric acid_M+4 91.058554 9.900 C02632 HMDB01873 Fructose 6-phosphate_M+0 259.0224 9.960 C05345,C00085 HMDB00124 Fructose 6-phosphate_M+1 260.025797 9.960 C05345,C00085 HMDB00124 Fructose 6-phosphate_M+2 261.029147 9.960 C05345,C00085 HMDB00124 Fructose 6-phosphate_M+3 262.032497 9.960 C05345,C00085 HMDB00124 Fructose 6-phosphate_M+4 263.035847 9.960 C05345,C00085 HMDB00124 Fructose 6-phosphate_M+5 264.039197 9.960 C05345,C00085 HMDB00124 Fructose 6-phosphate_M+6 265.042547 9.960 C05345,C00085 HMDB00124 Glucose 1-phosphate_M+0 259.0224 10.104 C00103 HMDB01586 Glucose 1-phosphate_M+1 260.025797 10.104 C00103 HMDB01586 Glucose 1-phosphate_M+2 261.029147 10.104 C00103 HMDB01586 Glucose 1-phosphate_M+3 262.032497 10.104 C00103 HMDB01586 Glucose 1-phosphate_M+4 263.035847 10.104 C00103 HMDB01586 Glucose 1-phosphate_M+5 264.039197 10.104 C00103 HMDB01586 Glucose 1-phosphate_M+6 265.042547 10.104 C00103 HMDB01586 Glyceric acid_M+0 105.0193 10.514 C00258 HMDB00139,HMDB06372 Glyceric acid_M+1 106.022684 10.514 C00258 HMDB00139,HMDB06372 Glyceric acid_M+2 107.026034 10.514 C00258 HMDB00139,HMDB06372 Glyceric acid_M+3 108.029384 10.514 C00258 HMDB00139,HMDB06372 Ribose 5-phosphate_M+0 229.0119 10.655 C00117 HMDB01548 Ribose 5-phosphate_M+1 230.015232 10.655 C00117 HMDB01548 Ribose 5-phosphate_M+2 231.018582 10.655 C00117 HMDB01548 Ribose 5-phosphate_M+3 232.021932 10.655 C00117 HMDB01548 Ribose 5-phosphate_M+4 233.025282 10.655 C00117 HMDB01548 Ribose 5-phosphate_M+5 234.028632 10.655 C00117 HMDB01548 CoA_divalent_M+0 382.5503 10.686 C00010 HMDB01423 CoA_divalent_M+1 383.5536835 10.686 C00010 HMDB01423 CoA_divalent_M+2 384.5570335 10.686 C00010 HMDB01423 CoA_divalent_M+3 385.5603835 10.686 C00010 HMDB01423 CoA_divalent_M+4 386.5637335 10.686 C00010 HMDB01423 CoA_divalent_M+5 387.5670835 10.686 C00010 HMDB01423 CoA_divalent_M+6 388.5704335 10.686 C00010 HMDB01423 CoA_divalent_M+7 389.5737835 10.686 C00010 HMDB01423 CoA_divalent_M+8 390.5771335 10.686 C00010 HMDB01423 CoA_divalent_M+9 391.5804835 10.686 C00010 HMDB01423 CoA_divalent_M+10 392.5838335 10.686 C00010 HMDB01423 CoA_divalent_M+11 393.5871835 10.686 C00010 HMDB01423 CoA_divalent_M+12 394.5905335 10.686 C00010 HMDB01423 CoA_divalent_M+13 395.5938835 10.686 C00010 HMDB01423 CoA_divalent_M+14 396.5972335 10.686 C00010 HMDB01423 CoA_divalent_M+15 397.6005835 10.686 C00010 HMDB01423 CoA_divalent_M+16 398.6039335 10.686 C00010 HMDB01423 CoA_divalent_M+17 399.6072835 10.686 C00010 HMDB01423 CoA_divalent_M+18 400.6106335 10.686 C00010 HMDB01423 CoA_divalent_M+19 401.6139835 10.686 C00010 HMDB01423 CoA_divalent_M+20 402.6173335 10.686 C00010 HMDB01423 CoA_divalent_M+21 403.6206835 10.686 C00010 HMDB01423 GDP_M+0 442.0171 10.709 C00035 HMDB01201 GDP_M+1 443.02041 10.709 C00035 HMDB01201 GDP_M+2 444.02376 10.709 C00035 HMDB01201 GDP_M+3 445.02711 10.709 C00035 HMDB01201 GDP_M+4 446.03046 10.709 C00035 HMDB01201 GDP_M+5 447.03381 10.709 C00035 HMDB01201 GDP_M+6 448.03716 10.709 C00035 HMDB01201 GDP_M+7 449.04051 10.709 C00035 HMDB01201 GDP_M+8 450.04386 10.709 C00035 HMDB01201 GDP_M+9 451.04721 10.709 C00035 HMDB01201 GDP_M+10 452.05056 10.709 C00035 HMDB01201 Lactic acid_M+0 89.0244 10.762 C00186,C00256,C01432 HMDB00190,HMDB01311 Lactic acid_M+1 90.027769 10.762 C00186,C00256,C01432 HMDB00190,HMDB01311 Lactic acid_M+2 91.031119 10.762 C00186,C00256,C01432 HMDB00190,HMDB01311 Lactic acid_M+3 92.034469 10.762 C00186,C00256,C01432 HMDB00190,HMDB01311 Propionic acid_M+0 73.0295 10.907 C00163 HMDB00237 Propionic acid_M+1 74.032854 10.907 C00163 HMDB00237 Propionic acid_M+2 75.036204 10.907 C00163 HMDB00237 Propionic acid_M+3 76.039554 10.907 C00163 HMDB00237 Xylulose 5-phosphate_M+0 229.0119 10.911 C00231,C03291 HMDB00868 Xylulose 5-phosphate_M+1 230.015232 10.911 C00231,C03291 HMDB00868 Xylulose 5-phosphate_M+2 231.018582 10.911 C00231,C03291 HMDB00868 Xylulose 5-phosphate_M+3 232.021932 10.911 C00231,C03291 HMDB00868 Xylulose 5-phosphate_M+4 233.025282 10.911 C00231,C03291 HMDB00868 Xylulose 5-phosphate_M+5 234.028632 10.911 C00231,C03291 HMDB00868 2-Deoxyribose 1-phosphate_M+0 213.0170 10.925 C00672 HMDB01351 2-Deoxyribose 1-phosphate_M+1 214.020317 10.925 C00672 HMDB01351 2-Deoxyribose 1-phosphate_M+2 215.023667 10.925 C00672 HMDB01351 2-Deoxyribose 1-phosphate_M+3 216.027017 10.925 C00672 HMDB01351 2-Deoxyribose 1-phosphate_M+4 217.030367 10.925 C00672 HMDB01351 2-Deoxyribose 1-phosphate_M+5 218.033717 10.925 C00672 HMDB01351 ADP_M+0 426.0221 10.930 C00008 HMDB01341 ADP_M+1 427.025495 10.930 C00008 HMDB01341 ADP_M+2 428.028845 10.930 C00008 HMDB01341 ADP_M+3 429.032195 10.930 C00008 HMDB01341 ADP_M+4 430.035545 10.930 C00008 HMDB01341 ADP_M+5 431.038895 10.930 C00008 HMDB01341 ADP_M+6 432.042245 10.930 C00008 HMDB01341 ADP_M+7 433.045595 10.930 C00008 HMDB01341 ADP_M+8 434.048945 10.930 C00008 HMDB01341 ADP_M+9 435.052295 10.930 C00008 HMDB01341 ADP_M+10 436.055645 10.930 C00008 HMDB01341 Ribulose 5-phosphate_M+0 229.0119 11.007 C00199,C01101 HMDB00618 Ribulose 5-phosphate_M+1 230.015232 11.007 C00199,C01101 HMDB00618 Ribulose 5-phosphate_M+2 231.018582 11.007 C00199,C01101 HMDB00618 Ribulose 5-phosphate_M+3 232.021932 11.007 C00199,C01101 HMDB00618 Ribulose 5-phosphate_M+4 233.025282 11.007 C00199,C01101 HMDB00618 Ribulose 5-phosphate_M+5 234.028632 11.007 C00199,C01101 HMDB00618 UDP-glucuronic acid_M+0 579.0270 11.104 C00167 HMDB00935 UDP-glucuronic acid_M+1 580.030368 11.104 C00167 HMDB00935 UDP-glucuronic acid_M+2 581.033718 11.104 C00167 HMDB00935 UDP-glucuronic acid_M+3 582.037068 11.104 C00167 HMDB00935 UDP-glucuronic acid_M+4 583.040418 11.104 C00167 HMDB00935 UDP-glucuronic acid_M+5 584.043768 11.104 C00167 HMDB00935 UDP-glucuronic acid_M+6 585.047118 11.104 C00167 HMDB00935 UDP-glucuronic acid_M+7 586.050468 11.104 C00167 HMDB00935 UDP-glucuronic acid_M+8 587.053818 11.104 C00167 HMDB00935 UDP-glucuronic acid_M+9 588.057168 11.104 C00167 HMDB00935 UDP-glucuronic acid_M+10 589.060518 11.104 C00167 HMDB00935 UDP-glucuronic acid_M+11 590.063868 11.104 C00167 HMDB00935 UDP-glucuronic acid_M+12 591.067218 11.104 C00167 HMDB00935 UDP-glucuronic acid_M+13 592.070568 11.104 C00167 HMDB00935 UDP-glucuronic acid_M+14 593.073918 11.104 C00167 HMDB00935 UDP-glucuronic acid_M+15 594.077268 11.104 C00167 HMDB00935 dADP_M+0 410.0272 11.104 C00206 HMDB01508 dADP_M+1 411.03058 11.104 C00206 HMDB01508 dADP_M+2 412.03393 11.104 C00206 HMDB01508 dADP_M+3 413.03728 11.104 C00206 HMDB01508 dADP_M+4 414.04063 11.104 C00206 HMDB01508 dADP_M+5 415.04398 11.104 C00206 HMDB01508 dADP_M+6 416.04733 11.104 C00206 HMDB01508 dADP_M+7 417.05068 11.104 C00206 HMDB01508 dADP_M+8 418.05403 11.104 C00206 HMDB01508 dADP_M+9 419.05738 11.104 C00206 HMDB01508 dADP_M+10 420.06073 11.104 C00206 HMDB01508 NADPH_divalent_M+0 371.5383 11.348 C00005 HMDB00221 NADPH_divalent_M+1 372.54163 11.348 C00005 HMDB00221 NADPH_divalent_M+2 373.54498 11.348 C00005 HMDB00221 NADPH_divalent_M+3 374.54833 11.348 C00005 HMDB00221 NADPH_divalent_M+4 375.55168 11.348 C00005 HMDB00221 NADPH_divalent_M+5 376.55503 11.348 C00005 HMDB00221 NADPH_divalent_M+6 377.55838 11.348 C00005 HMDB00221 NADPH_divalent_M+7 378.56173 11.348 C00005 HMDB00221 NADPH_divalent_M+8 379.56508 11.348 C00005 HMDB00221 NADPH_divalent_M+9 380.56843 11.348 C00005 HMDB00221 NADPH_divalent_M+10 381.57178 11.348 C00005 HMDB00221 NADPH_divalent_M+11 382.57513 11.348 C00005 HMDB00221 NADPH_divalent_M+12 383.57848 11.348 C00005 HMDB00221 NADPH_divalent_M+13 384.58183 11.348 C00005 HMDB00221 NADPH_divalent_M+14 385.58518 11.348 C00005 HMDB00221 NADPH_divalent_M+15 386.58853 11.348 C00005 HMDB00221 NADPH_divalent_M+16 387.59188 11.348 C00005 HMDB00221 NADPH_divalent_M+17 388.59523 11.348 C00005 HMDB00221 NADPH_divalent_M+18 389.59858 11.348 C00005 HMDB00221 NADPH_divalent_M+19 390.60193 11.348 C00005 HMDB00221 NADPH_divalent_M+20 391.60528 11.348 C00005 HMDB00221 NADPH_divalent_M+21 392.60863 11.348 C00005 HMDB00221 dTDP_M+0 401.0157 11.371 C00363 HMDB01274 dTDP_M+1 402.019013 11.371 C00363 HMDB01274 dTDP_M+2 403.022363 11.371 C00363 HMDB01274 dTDP_M+3 404.025713 11.371 C00363 HMDB01274 dTDP_M+4 405.029063 11.371 C00363 HMDB01274 dTDP_M+5 406.032413 11.371 C00363 HMDB01274 dTDP_M+6 407.035763 11.371 C00363 HMDB01274 dTDP_M+7 408.039113 11.371 C00363 HMDB01274 dTDP_M+8 409.042463 11.371 C00363 HMDB01274 dTDP_M+9 410.045813 11.371 C00363 HMDB01274 dTDP_M+10 411.049163 11.371 C00363 HMDB01274 CDP_M+0 402.0109 11.511 C00112 HMDB01546 CDP_M+1 403.014262 11.511 C00112 HMDB01546 CDP_M+2 404.017612 11.511 C00112 HMDB01546 CDP_M+3 405.020962 11.511 C00112 HMDB01546 CDP_M+4 406.024312 11.511 C00112 HMDB01546 CDP_M+5 407.027662 11.511 C00112 HMDB01546 CDP_M+6 408.031012 11.511 C00112 HMDB01546 CDP_M+7 409.034362 11.511 C00112 HMDB01546 CDP_M+8 410.037712 11.511 C00112 HMDB01546 CDP_M+9 411.041062 11.511 C00112 HMDB01546 GTP_M+0 521.9834 11.546 C00044 HMDB01273 GTP_M+1 522.986743 11.546 C00044 HMDB01273 GTP_M+2 523.990093 11.546 C00044 HMDB01273 GTP_M+3 524.993443 11.546 C00044 HMDB01273 GTP_M+4 525.996793 11.546 C00044 HMDB01273 GTP_M+5 527.000143 11.546 C00044 HMDB01273 GTP_M+6 528.003493 11.546 C00044 HMDB01273 GTP_M+7 529.006843 11.546 C00044 HMDB01273 GTP_M+8 530.010193 11.546 C00044 HMDB01273 GTP_M+9 531.013543 11.546 C00044 HMDB01273 GTP_M+10 532.016893 11.546 C00044 HMDB01273 Glyceraldehyde 3-phosphate_M+0 168.9908 11.643 C00118,C00661 HMDB01112 Glyceraldehyde 3-phosphate_M+1 169.994102 11.643 C00118,C00661 HMDB01112 Glyceraldehyde 3-phosphate_M+2 170.997452 11.643 C00118,C00661 HMDB01112 Glyceraldehyde 3-phosphate_M+3 172.000802 11.643 C00118,C00661 HMDB01112 UDP_M+0 402.9949 11.731 C00015 HMDB00295 UDP_M+1 403.998278 11.731 C00015 HMDB00295 UDP_M+2 405.001628 11.731 C00015 HMDB00295 UDP_M+3 406.004978 11.731 C00015 HMDB00295 UDP_M+4 407.008328 11.731 C00015 HMDB00295 UDP_M+5 408.011678 11.731 C00015 HMDB00295 UDP_M+6 409.015028 11.731 C00015 HMDB00295 UDP_M+7 410.018378 11.731 C00015 HMDB00295 UDP_M+8 411.021728 11.731 C00015 HMDB00295 UDP_M+9 412.025078 11.731 C00015 HMDB00295 dCDP_M+0 386.0160 11.743 C00705 HMDB01245 dCDP_M+1 387.019347 11.743 C00705 HMDB01245 dCDP_M+2 388.022697 11.743 C00705 HMDB01245 dCDP_M+3 389.026047 11.743 C00705 HMDB01245 dCDP_M+4 390.029397 11.743 C00705 HMDB01245 dCDP_M+5 391.032747 11.743 C00705 HMDB01245 dCDP_M+6 392.036097 11.743 C00705 HMDB01245 dCDP_M+7 393.039447 11.743 C00705 HMDB01245 dCDP_M+8 394.042797 11.743 C00705 HMDB01245 dCDP_M+9 395.046147 11.743 C00705 HMDB01245 dATP_M+0 489.9936 11.790 C00131 HMDB01532 dATP_M+1 490.996913 11.790 C00131 HMDB01532 dATP_M+2 492.000263 11.790 C00131 HMDB01532 dATP_M+3 493.003613 11.790 C00131 HMDB01532 dATP_M+4 494.006963 11.790 C00131 HMDB01532 dATP_M+5 495.010313 11.790 C00131 HMDB01532 dATP_M+6 496.013663 11.790 C00131 HMDB01532 dATP_M+7 497.017013 11.790 C00131 HMDB01532 dATP_M+8 498.020363 11.790 C00131 HMDB01532 dATP_M+9 499.023713 11.790 C00131 HMDB01532 dATP_M+10 500.027063 11.790 C00131 HMDB01532 ATP_M+0 505.9885 11.848 C00002 HMDB00538 ATP_M+1 506.991828 11.848 C00002 HMDB00538 ATP_M+2 507.995178 11.848 C00002 HMDB00538 ATP_M+3 508.998528 11.848 C00002 HMDB00538 ATP_M+4 510.001878 11.848 C00002 HMDB00538 ATP_M+5 511.005228 11.848 C00002 HMDB00538 ATP_M+6 512.008578 11.848 C00002 HMDB00538 ATP_M+7 513.011928 11.848 C00002 HMDB00538 ATP_M+8 514.015278 11.848 C00002 HMDB00538 ATP_M+9 515.018628 11.848 C00002 HMDB00538 ATP_M+10 516.021978 11.848 C00002 HMDB00538 Glycerol 3-phosphate_M+0 171.0064 12.157 C00093 HMDB00126 Glycerol 3-phosphate_M+1 172.009752 12.157 C00093 HMDB00126 Glycerol 3-phosphate_M+2 173.013102 12.157 C00093 HMDB00126 Glycerol 3-phosphate_M+3 174.016452 12.157 C00093 HMDB00126 dTTP_M+0 480.9820 12.185 C00459 HMDB01342 dTTP_M+1 481.985346 12.185 C00459 HMDB01342 dTTP_M+2 482.988696 12.185 C00459 HMDB01342 dTTP_M+3 483.992046 12.185 C00459 HMDB01342 dTTP_M+4 484.995396 12.185 C00459 HMDB01342 dTTP_M+5 485.998746 12.185 C00459 HMDB01342 dTTP_M+6 487.002096 12.185 C00459 HMDB01342 dTTP_M+7 488.005446 12.185 C00459 HMDB01342 dTTP_M+8 489.008796 12.185 C00459 HMDB01342 dTTP_M+9 490.012146 12.185 C00459 HMDB01342 dTTP_M+10 491.015496 12.185 C00459 HMDB01342 O-Succinylhomoserine_M+0 218.0670 12.249 C01118 - O-Succinylhomoserine_M+1 219.070363 12.249 C01118 - O-Succinylhomoserine_M+2 220.073713 12.249 C01118 - O-Succinylhomoserine_M+3 221.077063 12.249 C01118 - O-Succinylhomoserine_M+4 222.080413 12.249 C01118 - O-Succinylhomoserine_M+5 223.083763 12.249 C01118 - O-Succinylhomoserine_M+6 224.087113 12.249 C01118 - O-Succinylhomoserine_M+7 225.090463 12.249 C01118 - O-Succinylhomoserine_M+8 226.093813 12.249 C01118 - Phosphocreatine_M+0 210.0285 12.329 C02305 HMDB01511 Phosphocreatine_M+1 211.031884 12.329 C02305 HMDB01511 Phosphocreatine_M+2 212.035234 12.329 C02305 HMDB01511 Phosphocreatine_M+3 213.038584 12.329 C02305 HMDB01511 Phosphocreatine_M+4 214.041934 12.329 C02305 HMDB01511 O-Phosphoserine_M+0 184.0017 12.385 C01005 HMDB00272 O-Phosphoserine_M+1 185.005001 12.385 C01005 HMDB00272 O-Phosphoserine_M+2 186.008351 12.385 C01005 HMDB00272 O-Phosphoserine_M+3 187.011701 12.385 C01005 HMDB00272 CTP_M+0 481.9772 12.394 C00063 HMDB00082 CTP_M+1 482.980595 12.394 C00063 HMDB00082 CTP_M+2 483.983945 12.394 C00063 HMDB00082 CTP_M+3 484.987295 12.394 C00063 HMDB00082 CTP_M+4 485.990645 12.394 C00063 HMDB00082 CTP_M+5 486.993995 12.394 C00063 HMDB00082 CTP_M+6 487.997345 12.394 C00063 HMDB00082 CTP_M+7 489.000695 12.394 C00063 HMDB00082 CTP_M+8 490.004045 12.394 C00063 HMDB00082 CTP_M+9 491.007395 12.394 C00063 HMDB00082 dCTP_M+0 465.9823 12.486 C00458 HMDB00998 dCTP_M+1 466.98568 12.486 C00458 HMDB00998 dCTP_M+2 467.98903 12.486 C00458 HMDB00998 dCTP_M+3 468.99238 12.486 C00458 HMDB00998 dCTP_M+4 469.99573 12.486 C00458 HMDB00998 dCTP_M+5 470.99908 12.486 C00458 HMDB00998 dCTP_M+6 472.00243 12.486 C00458 HMDB00998 dCTP_M+7 473.00578 12.486 C00458 HMDB00998 dCTP_M+8 474.00913 12.486 C00458 HMDB00998 dCTP_M+9 475.01248 12.486 C00458 HMDB00998 UTP_M+0 482.9613 12.603 C00075 HMDB00285 UTP_M+1 483.964611 12.603 C00075 HMDB00285 UTP_M+2 484.967961 12.603 C00075 HMDB00285 UTP_M+3 485.971311 12.603 C00075 HMDB00285 UTP_M+4 486.974661 12.603 C00075 HMDB00285 UTP_M+5 487.978011 12.603 C00075 HMDB00285 UTP_M+6 488.981361 12.603 C00075 HMDB00285 UTP_M+7 489.984711 12.603 C00075 HMDB00285 UTP_M+8 490.988061 12.603 C00075 HMDB00285 UTP_M+9 491.991411 12.603 C00075 HMDB00285 Glycolic acid_M+0 75.0088 12.678 C00160 HMDB00115 Glycolic acid_M+1 76.012119 12.678 C00160 HMDB00115 Glycolic acid_M+2 77.015469 12.678 C00160 HMDB00115 Dihydroxyacetone phosphate_M+0 168.9908 12.678 C00111 HMDB01473 Dihydroxyacetone phosphate_M+1 169.994102 12.678 C00111 HMDB01473 Dihydroxyacetone phosphate_M+2 170.997452 12.678 C00111 HMDB01473 Dihydroxyacetone phosphate_M+3 172.000802 12.678 C00111 HMDB01473 Pyruvic acid_M+0 87.0088 12.900 C00022 HMDB00243 Pyruvic acid_M+1 88.012119 12.900 C00022 HMDB00243 Pyruvic acid_M+2 89.015469 12.900 C00022 HMDB00243 Pyruvic acid_M+3 90.018819 12.900 C00022 HMDB00243 N-Acetylglutamic acid_M+0 188.0564 13.201 C00624 HMDB01138 N-Acetylglutamic acid_M+1 189.059798 13.201 C00624 HMDB01138 N-Acetylglutamic acid_M+2 190.063148 13.201 C00624 HMDB01138 N-Acetylglutamic acid_M+3 191.066498 13.201 C00624 HMDB01138 N-Acetylglutamic acid_M+4 192.069848 13.201 C00624 HMDB01138 N-Acetylglutamic acid_M+5 193.073198 13.201 C00624 HMDB01138 N-Acetylglutamic acid_M+6 194.076548 13.201 C00624 HMDB01138 N-Acetylglutamic acid_M+7 195.079898 13.201 C00624 HMDB01138 N-Acetylaspartic acid_M+0 174.0408 14.546 C01042 HMDB00812 N-Acetylaspartic acid_M+1 175.044148 14.546 C01042 HMDB00812 N-Acetylaspartic acid_M+2 176.047498 14.546 C01042 HMDB00812 N-Acetylaspartic acid_M+3 177.050848 14.546 C01042 HMDB00812 N-Acetylaspartic acid_M+4 178.054198 14.546 C01042 HMDB00812 N-Acetylaspartic acid_M+5 179.057548 14.546 C01042 HMDB00812 N-Acetylaspartic acid_M+6 180.060898 14.546 C01042 HMDB00812 Fructose 1,6-diphosphate_M+0 338.9888 14.558 C00354 HMDB01058 Fructose 1,6-diphosphate_M+1 339.99213 14.558 C00354 HMDB01058 Fructose 1,6-diphosphate_M+2 340.99548 14.558 C00354 HMDB01058 Fructose 1,6-diphosphate_M+3 341.99883 14.558 C00354 HMDB01058 Fructose 1,6-diphosphate_M+4 343.00218 14.558 C00354 HMDB01058 Fructose 1,6-diphosphate_M+5 344.00553 14.558 C00354 HMDB01058 Fructose 1,6-diphosphate_M+6 345.00888 14.558 C00354 HMDB01058 6-Phosphogluconic acid_M+0 275.0174 14.668 C00345 HMDB01316 6-Phosphogluconic acid_M+1 276.020712 14.668 C00345 HMDB01316 6-Phosphogluconic acid_M+2 277.024062 14.668 C00345 HMDB01316 6-Phosphogluconic acid_M+3 278.027412 14.668 C00345 HMDB01316 6-Phosphogluconic acid_M+4 279.030762 14.668 C00345 HMDB01316 6-Phosphogluconic acid_M+5 280.034112 14.668 C00345 HMDB01316 6-Phosphogluconic acid_M+6 281.037462 14.668 C00345 HMDB01316 NDS_divalent 150.9782985 14.679517 - - 3-Hydroxy-3-methylglutaric acid_M+0 161.0455 15.424 C03761 - 3-Hydroxy-3-methylglutaric acid_M+1 162.048899 15.424 C03761 - 3-Hydroxy-3-methylglutaric acid_M+2 163.052249 15.424 C03761 - 3-Hydroxy-3-methylglutaric acid_M+3 164.055599 15.424 C03761 - 3-Hydroxy-3-methylglutaric acid_M+4 165.058949 15.424 C03761 - 3-Hydroxy-3-methylglutaric acid_M+5 166.062299 15.424 C03761 - 3-Hydroxy-3-methylglutaric acid_M+6 167.065649 15.424 C03761 - N-Carbamoylaspartic acid_M+0 175.0360 15.446 C00438 HMDB00828 N-Carbamoylaspartic acid_M+1 176.039397 15.446 C00438 HMDB00828 N-Carbamoylaspartic acid_M+2 177.042747 15.446 C00438 HMDB00828 N-Carbamoylaspartic acid_M+3 178.046097 15.446 C00438 HMDB00828 N-Carbamoylaspartic acid_M+4 179.049447 15.446 C00438 HMDB00828 N-Carbamoylaspartic acid_M+5 180.052797 15.446 C00438 HMDB00828 Phytic acid_divalent_M+0 328.9234 16.713 C01204 HMDB03502 Phytic acid_divalent_M+1 329.926768 16.713 C01204 HMDB03502 Phytic acid_divalent_M+2 330.930118 16.713 C01204 HMDB03502 Phytic acid_divalent_M+3 331.933468 16.713 C01204 HMDB03502 Phytic acid_divalent_M+4 332.936818 16.713 C01204 HMDB03502 Phytic acid_divalent_M+5 333.940168 16.713 C01204 HMDB03502 Phytic acid_divalent_M+6 334.943518 16.713 C01204 HMDB03502 PRPP_M+0 388.9445 16.742 C00119 HMDB00280 PRPP_M+1 389.947898 16.742 C00119 HMDB00280 PRPP_M+2 390.951248 16.742 C00119 HMDB00280 PRPP_M+3 391.954598 16.742 C00119 HMDB00280 PRPP_M+4 392.957948 16.742 C00119 HMDB00280 PRPP_M+5 393.961298 16.742 C00119 HMDB00280 2,3-Diphosphoglyceric acid_M+0 264.9520 18.379 C01159 HMDB01294 2,3-Diphosphoglyceric acid_M+1 265.95535 18.379 C01159 HMDB01294 2,3-Diphosphoglyceric acid_M+2 266.9587 18.379 C01159 HMDB01294 2,3-Diphosphoglyceric acid_M+3 267.96205 18.379 C01159 HMDB01294 3-Phosphoglyceric acid_M+0 184.9857 19.573 C00197 HMDB00807 3-Phosphoglyceric acid_M+1 185.989017 19.573 C00197 HMDB00807 3-Phosphoglyceric acid_M+2 186.992367 19.573 C00197 HMDB00807 3-Phosphoglyceric acid_M+3 187.995717 19.573 C00197 HMDB00807 Phosphoenolpyruvic acid_M+0 166.9751 20.761 C00074 HMDB00263 Phosphoenolpyruvic acid_M+1 167.978452 20.761 C00074 HMDB00263 Phosphoenolpyruvic acid_M+2 168.981802 20.761 C00074 HMDB00263 Phosphoenolpyruvic acid_M+3 169.985152 20.761 C00074 HMDB00263 Succinic acid_M+0 117.0193 20.947 C00042 HMDB00254 Succinic acid_M+1 118.022684 20.947 C00042 HMDB00254 Succinic acid_M+2 119.026034 20.947 C00042 HMDB00254 Succinic acid_M+3 120.029384 20.947 C00042 HMDB00254 Succinic acid_M+4 121.032734 20.947 C00042 HMDB00254 Malic acid_M+0 133.0142 21.137 C00149,C00497,C00711 HMDB00156,HMDB00744 Malic acid_M+1 134.017599 21.137 C00149,C00497,C00711 HMDB00156,HMDB00744 Malic acid_M+2 135.020949 21.137 C00149,C00497,C00711 HMDB00156,HMDB00744 Malic acid_M+3 136.024299 21.137 C00149,C00497,C00711 HMDB00156,HMDB00744 Malic acid_M+4 137.027649 21.137 C00149,C00497,C00711 HMDB00156,HMDB00744 2-Oxoglutaric acid_M+0 145.0142 21.314 C00026 HMDB00208 2-Oxoglutaric acid_M+1 146.017599 21.314 C00026 HMDB00208 2-Oxoglutaric acid_M+2 147.020949 21.314 C00026 HMDB00208 2-Oxoglutaric acid_M+3 148.024299 21.314 C00026 HMDB00208 2-Oxoglutaric acid_M+4 149.027649 21.314 C00026 HMDB00208 2-Oxoglutaric acid_M+5 150.030999 21.314 C00026 HMDB00208 Fumaric acid_M+0 115.0037 25.016 C00122 HMDB00134 Fumaric acid_M+1 116.007034 25.016 C00122 HMDB00134 Fumaric acid_M+2 117.010384 25.016 C00122 HMDB00134 Fumaric acid_M+3 118.013734 25.016 C00122 HMDB00134 Fumaric acid_M+4 119.017084 25.016 C00122 HMDB00134 Citric acid_M+0 191.0197 25.967 C00158 HMDB00094 Citric acid_M+1 192.023079 25.967 C00158 HMDB00094 Citric acid_M+2 193.026429 25.967 C00158 HMDB00094 Citric acid_M+3 194.029779 25.967 C00158 HMDB00094 Citric acid_M+4 195.033129 25.967 C00158 HMDB00094 Citric acid_M+5 196.036479 25.967 C00158 HMDB00094 Citric acid_M+6 197.039829 25.967 C00158 HMDB00094 Trimesic acid 209.009164 27.140417 - - Isocitric acid_M+0 191.0197 28.279 C00311 HMDB00193 Isocitric acid_M+1 192.023079 28.279 C00311 HMDB00193 Isocitric acid_M+2 193.026429 28.279 C00311 HMDB00193 Isocitric acid_M+3 194.029779 28.279 C00311 HMDB00193 Isocitric acid_M+4 195.033129 28.279 C00311 HMDB00193 Isocitric acid_M+5 196.036479 28.279 C00311 HMDB00193 Isocitric acid_M+6 197.039829 28.279 C00311 HMDB00193 METABOLITES_END #END