#METABOLOMICS WORKBENCH n_hiraoka_20240509_004912 DATATRACK_ID:4828 STUDY_ID:ST003298 ANALYSIS_ID:AN005403 PROJECT_ID:PR002049 VERSION 1 CREATED_ON May 14, 2024, 1:44 am #PROJECT PR:PROJECT_TITLE Annual changes on metabolomics profile in latex PR:PROJECT_SUMMARY To clarify seasonal changes in metabolites contained in latex, we determine the PR:PROJECT_SUMMARY metabolomics profile in latex of Hevea brasiliensis throughout the year. As a PR:PROJECT_SUMMARY result, a total of more than 400 metabolites had difference not only in amount, PR:PROJECT_SUMMARY but also in existence. PR:INSTITUTE Sumitomo Riko Co., Ltd. PR:DEPARTMENT Fundamental Material Development Laboratory PR:LAST_NAME HIRAOKA PR:FIRST_NAME Nobuyuki PR:ADDRESS 1, Higashi 3-chome, Komaki-shi, Aichi, 485-8550, Japan PR:EMAIL nobuyuki.hiraoka@jp.sumitomoriko.com PR:PHONE 0568-77-2132 #STUDY ST:STUDY_TITLE Annual changes on metabolomics profile in latex ST:STUDY_SUMMARY Natural rubber (NR) is an important material with excellent physical properties. ST:STUDY_SUMMARY Unlike synthetic rubber from petroleum, NR contains non-rubber components such ST:STUDY_SUMMARY as proteins, lipids, and metal ions. The non-rubber components are known to ST:STUDY_SUMMARY affect the properties of NR. In this study, latex samples of Hevea brasiliensis ST:STUDY_SUMMARY were collected for nine months and their metabolites were comprehensively ST:STUDY_SUMMARY analyzed by mass spectrometry. NR was made from the same latex samples used for ST:STUDY_SUMMARY the mass spectrometry, and their vulcanization, tensile and thermal-aging ST:STUDY_SUMMARY properties were assessed. These results suggest that the metabolite composition ST:STUDY_SUMMARY in the latex and the NR properties changed seasonally. Correlation analysis ST:STUDY_SUMMARY between the metabolites and the properties of NR indicated that different ST:STUDY_SUMMARY metabolites affected different properties. A regression model of NR properties ST:STUDY_SUMMARY using metabolites as the explanatory variables suggests that about five ST:STUDY_SUMMARY metabolites need to be considered when examining the relationship between ST:STUDY_SUMMARY properties and metabolites. This method, which combines comprehensive analysis ST:STUDY_SUMMARY and characterization of NR, contributes to studies aimed at elucidating how the ST:STUDY_SUMMARY superior properties of NR are brought about. ST:INSTITUTE Sumitomo Riko Co., Ltd. ST:DEPARTMENT Fundamental Material Development Laboratory ST:LAST_NAME Nobuyuki ST:FIRST_NAME Hiraoka ST:ADDRESS 1, Higashi 3-chome, Komaki-shi, Aichi 485-8550, Japan ST:EMAIL nobuyuki.hiraoka@jp.sumitomoriko.com ST:PHONE +81-568-77-2132 #SUBJECT SU:SUBJECT_TYPE Plant SU:SUBJECT_SPECIES Hevea brasiliensis #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS STRCH-HMT-003 TFL269 Sample source:latex | collected month:May-22 SUBJECT_SAMPLE_FACTORS STRCH-HMT-003 TFL272 Sample source:latex | collected month:Jun-22 SUBJECT_SAMPLE_FACTORS STRCH-HMT-003 TFL275 Sample source:latex | collected month:Jul-22 SUBJECT_SAMPLE_FACTORS STRCH-HMT-004 TFL278 Sample source:latex | collected month:Aug-22 SUBJECT_SAMPLE_FACTORS STRCH-HMT-004 TFL281 Sample source:latex | collected month:Sep-22 SUBJECT_SAMPLE_FACTORS STRCH-HMT-004 TFL284 Sample source:latex | collected month:Oct-22 SUBJECT_SAMPLE_FACTORS STRCH-HMT-004 TFL287 Sample source:latex | collected month:Nov-22 SUBJECT_SAMPLE_FACTORS STRCH-HMT-004 TFL290 Sample source:latex | collected month:Dec-22 SUBJECT_SAMPLE_FACTORS STRCH-HMT-004 TFL293 Sample source:latex | collected month:Jan-23 #COLLECTION CO:COLLECTION_SUMMARY The latex collected on same day from some trees (Hevea brasiliensis) was mixed. CO:SAMPLE_TYPE Latex CO:STORAGE_CONDITIONS 4℃ #TREATMENT TR:TREATMENT_SUMMARY Ammonia was added to the latex to prevent coagulation. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For CE-TOFMS, the latex was plunged into methanol containing internal standards. SP:SAMPLEPREP_SUMMARY The latex sample was homogenized thrice, and then centrifuged. The upper aqueous SP:SAMPLEPREP_SUMMARY layer was centrifugally filtered to remove the proteins. The filtrate was then SP:SAMPLEPREP_SUMMARY centrifugally concentrated and re-suspended in Milli-Q water for CE-MS analysis. SP:SAMPLEPREP_SUMMARY For LC-TOFMS, the latex was plunged into 1% formic acid/acetonitrile containing SP:SAMPLEPREP_SUMMARY the internal standard solution. The latex sample was homogenized thrice, and the SP:SAMPLEPREP_SUMMARY mixture was yet again homogenized after adding Milli-Q water and then SP:SAMPLEPREP_SUMMARY centrifuged. The supernatant was collected and 1% formic acid/acetonitrile and SP:SAMPLEPREP_SUMMARY Milli-Q water were added to the precipitate. Homogenization and centrifugation SP:SAMPLEPREP_SUMMARY were performed as described previously, and the supernatant was mixed with SP:SAMPLEPREP_SUMMARY previously collected one. The mixed supernatant was filtrated to remove the SP:SAMPLEPREP_SUMMARY proteins and phospholipids. The filtrate was then desiccated and dissolved in 1% SP:SAMPLEPREP_SUMMARY isopropanol/Milli-Q water for LC-MS analysis. SP:PROCESSING_STORAGE_CONDITIONS Room temperature SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE CE CH:INSTRUMENT_NAME Agilent CE CH:COLUMN_NAME Fused silica capillary i.d. 50 μm × 80 cm CH:SOLVENT_A Anion Buffer Solution (p/n : I3302-1023) CH:SOLVENT_B Anion Buffer Solution (p/n : I3302-1023) CH:FLOW_GRADIENT not gradient CH:FLOW_RATE - CH:COLUMN_TEMPERATURE 20°C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6210 TOF MS:INSTRUMENT_TYPE Other MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The spectrometer was scanned from m/z 50 to 1,000. Peaks were extracted using MS:MS_COMMENTS automatic integration software MasterHands (Keio University, Tsuruoka, Japan). MS:MS_COMMENTS Signal peaks corresponding to isotopomers, adduct ions, and other product ions MS:MS_COMMENTS of known metabolites were excluded, and the remaining peaks were annotated MS:MS_COMMENTS according to HMT’s metabolite database based on their m/z values and MTs. MS:MS_COMMENTS Areas of the annotated peaks were then normalized to internal standards and MS:MS_COMMENTS sample amount in order to obtain relative levels of each metabolite. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Relative Area MS_METABOLITE_DATA_START Samples TFL269 TFL272 TFL275 TFL278 TFL281 TFL284 TFL287 TFL290 TFL293 Factors Sample source:latex | collected month:May-22 Sample source:latex | collected month:Jun-22 Sample source:latex | collected month:Jul-22 Sample source:latex | collected month:Aug-22 Sample source:latex | collected month:Sep-22 Sample source:latex | collected month:Oct-22 Sample source:latex | collected month:Nov-22 Sample source:latex | collected month:Dec-22 Sample source:latex | collected month:Jan-23 1,2,3-Propanetricarboxylic acid 0.000214841 0.000222969 0.000240462 0.000253157 0.000213867 0.000205889 2-Deoxyribonic acid 0.000187101 0.00012483 2-Hydroxyglutaric acid 0.000410082 0.000892974 0.000598091 0.000324281 0.000322532 0.000308437 0.000464777 0.000438832 0.000604698 2-Hydroxypyridine 8.65E-05 0.000115631 2-Oxobutyric acid 0.00023981 0.000509574 2-Oxoglutaric acid 0.000147059 0.000480005 0.000359187 2-Oxoisovaleric acid 7.04E-05 3,4-Dihydroxyphenylglycol 7.37E-05 4.23E-05 3'-AMP 2.88E-05 6.38E-05 5.70E-05 3-Deoxy-D-manno-2-octulosonic acid 0.000200423 0.000239153 0.000261972 0.000309476 0.000255779 0.000359901 3-Hydroxy-3-methylglutaric acid 9.76E-05 0.000144681 0.000134384 0.000194357 0.00015153 0.000237669 0.000204988 0.000163603 3-Hydroxybutyric acid 7.30E-05 9.24E-05 7.60E-05 3-Hydroxypropionic acid 0.000158399 0.000288649 0.000201984 0.000262307 0.00036652 3-Methoxy-4-hydroxyphenylethyleneglycol 5.63E-05 5.56E-05 3-Nitropropionic acid 0.000226198 0.000530829 0.000389386 0.000508698 0.000369929 0.000283757 0.000379453 0.00042695 0.000525395 3-Phenylpropionic acid 9.32E-05 7.79E-05 3-Phosphoglyceric acid 9.74E-05 0.000110304 0.000166988 0.000203998 3'-UMP 7.70E-05 6.25E-05 0.000119538 8.32E-05 0.000113482 3-Ureidoisobutyric acid 5.26E-05 5-Oxoproline 0.071604568 0.090150092 0.092510929 0.080145526 0.085309186 0.049493358 0.091964956 0.098426035 0.127489766 6-Phosphogluconic acid 6.62E-05 9.13E-05 3.38E-05 6.28E-05 Adenylosuccinic acid 6.12E-05 5.82E-05 9.80E-05 4.60E-05 6.26E-05 Allantoic acid 0.000486417 0.000658025 0.000820239 0.00045506 0.000465446 0.00036028 0.000822688 0.000972585 0.00106322 AMP 0.001202247 0.000898378 0.001093939 0.001244944 0.000256954 0.000653603 Ascorbate 2-glucoside 7.94E-05 8.63E-05 7.51E-05 0.00010223 8.41E-05 9.31E-05 0.000153612 0.000119859 0.000199269 Biotin 8.74E-05 7.15E-05 4.78E-05 9.57E-05 0.000109675 0.000167656 cis-Aconitic acid 0.015330231 0.016587533 0.01777812 0.013579566 0.014699322 0.012745615 0.012471268 0.012944561 0.014011398 Citric acid 0.174505635 0.19323462 0.16251916 0.119304924 0.139490023 0.123623919 0.14630322 0.200007455 0.123819294 CMP 0.001499132 0.001466999 0.001387761 0.001760269 0.000777911 0.001404747 CMP-N-acetylneuraminate 4.18E-05 5.69E-05 2.06E-05 5.57E-05 Decanoic acid 7.31E-05 Ethanolamine phosphate 0.000181202 0.000351595 0.000385854 0.000414399 0.000398829 0.000307886 0.000595439 0.000427342 0.000744794 Ethyl glucuronide 0.000143645 0.000137508 0.000122466 0.000165673 0.000144937 0.000117336 0.000195992 0.000172869 0.000180761 Fructose 6-phosphate 0.000399259 0.000161844 0.000103961 9.00E-05 9.91E-05 9.71E-05 Fumaric acid 0.008257619 0.003849047 0.010853134 0.003041376 0.003507965 0.00329588 0.003912522 0.003976514 0.004446879 Glucaric acid 0.000176081 0.00022191 0.000170314 0.000166394 0.000208229 0.000133606 0.000199653 0.000230971 0.000160496 Gluconic acid 0.001135622 0.001299691 0.001335509 0.001155674 0.001281456 0.001075877 0.001168209 0.001023636 0.001304099 Glucosamine 6-phosphate 0.00016974 0.000459942 0.000378791 0.000953377 0.000682056 0.00062625 0.000607548 0.000418855 0.000626043 Glucose 1-phosphate 0.00016474 0.000186466 8.75E-05 0.000206623 0.000358368 0.000412674 0.000232037 0.000195457 0.00024858 Glucose 6-phosphate 6.65E-05 0.000217405 0.000156757 0.001811878 0.000502727 0.000584335 0.000344957 0.000222484 0.00028965 Glyceric acid 0.003753053 0.004103438 0.003842366 0.003763619 0.003102344 0.004151701 0.004818 0.005325651 0.005603451 Glycerol 2-phosphate 0.000127061 8.15E-05 7.48E-05 7.46E-05 5.29E-05 5.59E-05 5.31E-05 Glycerol 3-phosphate 0.033222167 0.024495801 0.028431093 0.025010142 0.02856009 0.009901705 0.011966926 0.020747439 0.030074391 GMP 0.000470344 0.000388281 0.000394336 0.000252312 0.000159421 0.000348282 Hexanoic acid 4.75E-05 3.36E-05 Homocitric acid 0.001097422 0.001051696 0.000951647 0.001020511 0.000946733 0.001155086 IDP 6.75E-05 Iminodiacetic acid 6.16E-05 3.94E-05 8.17E-05 7.73E-05 9.67E-05 IMP 0.000206767 0.000208374 0.000178554 0.00019036 7.82E-05 0.000106052 Isethionic acid 4.17E-05 4.75E-05 3.85E-05 6.08E-05 5.23E-05 5.13E-05 7.79E-05 7.25E-05 9.43E-05 Isocitric acid 0.011051863 0.012224607 0.012070165 0.01074265 0.012027887 0.010338508 0.009953924 0.010951212 0.011466966 Lactic acid 0.010587639 0.026103582 0.019525343 0.007887133 0.007881795 0.005220683 0.00776633 0.012252823 0.00752184 Lauric acid 0.000219491 0.000183265 0.000194351 0.000134096 0.000323977 0.000186551 0.000243723 0.000257998 0.00017941 Malic acid 0.169596962 0.170665475 0.124596644 0.142161172 0.144996471 0.158208051 0.219891377 0.161996989 0.216023137 meso-Tartaric acid 9.54E-05 7.38E-05 7.54E-05 5.35E-05 7.91E-05 9.42E-05 Mucic acid 0.003415525 0.003329479 0.002248937 0.002601024 0.002359452 0.002222348 0.00262224 0.002758335 0.003754233 myo-Inositol 2-phosphate 7.60E-05 5.63E-05 6.44E-05 8.63E-05 0.000106162 5.35E-05 9.20E-05 Myristoleic acid 0.000765658 0.00034223 0.000356121 0.000294578 0.000446949 0.000381927 0.000369034 0.000238936 0.000225073 N-Acetylasparagine 7.91E-05 0.000113694 7.08E-05 N-Acetylglucosamine 1-phosphate 0.00035399 0.000325278 0.000268856 0.00042925 0.000415736 0.000552347 0.000923078 0.000552294 0.000611047 N-Acetylglutamic acid 8.41E-05 0.000104435 0.000101277 8.91E-05 7.50E-05 0.000168076 0.000199371 7.99E-05 0.000129559 N-Acetylproline 9.85E-05 0.000137856 7.60E-05 0.000125874 0.000100405 0.000114023 N-Acetylthreonine 9.98E-05 8.79E-05 0.000111373 0.000149959 Octanoic acid 4.70E-05 o-Hydroxybenzoic acid 5.11E-05 9.27E-05 8.27E-05 6.44E-05 6.89E-05 8.12E-05 Oxamic acid 0.002714861 0.003209871 0.003359336 0.00221849 0.002512048 0.002239307 0.004509509 0.003507652 0.005860543 Pantothenic acid 6.16E-05 9.09E-05 9.41E-05 0.000207488 7.36E-05 7.58E-05 8.77E-05 0.000102494 0.000220209 Pelargonic acid 9.20E-05 9.97E-05 6.37E-05 6.38E-05 5.86E-05 Propionic acid 0.000730691 0.001200967 0.001381915 Pyrrole-2-carboxylic acid 0.000105843 8.95E-05 5.61E-05 7.20E-05 4.74E-05 9.15E-05 Pyruvic acid 0.001824093 0.002633877 0.001163145 0.002973175 0.003578049 0.00175135 0.001987659 0.002366767 0.002757346 Quinic acid 0.005304977 0.005437861 0.00502989 0.004836672 0.004809797 0.005219167 0.007592584 0.00738363 0.011015469 Ribulose 5-phosphate 6.49E-05 5.67E-05 3.93E-05 5.76E-05 Shikimic acid 9.71E-05 9.77E-05 9.92E-05 6.32E-05 6.17E-05 0.000150936 0.00010393 9.92E-05 S-Sulfocysteine 0.000143157 0.00041134 0.000726368 0.000129482 0.000171092 0.000161733 0.000104895 0.000161771 0.00013807 Succinic acid 0.005515688 0.008661245 0.012108215 0.004046373 0.003965897 0.003308703 0.003421696 0.004897917 0.003964985 Tartaric acid 0.00025339 0.000302755 0.000262021 0.000235316 0.000275568 0.000294236 0.000409584 0.000333335 0.000554171 Terephthalic acid 8.58E-05 9.22E-05 0.000109821 0.000151543 0.000151729 9.51E-05 0.000133337 0.000121165 0.000127803 Threonic acid 0.008834881 0.010590748 0.013043971 0.007689594 0.009158194 0.010095564 0.018007343 0.012093141 0.020152674 Tridecanoic acid 5.18E-05 2.69E-05 3.67E-05 UMP 0.001990384 0.001959466 0.00189185 0.002261513 0.001508689 0.002173724 XA0004 0.000182665 0.000214916 0.000102416 XA0033 0.0006803 0.001177356 0.001381876 XA0065 7.61E-05 3.79E-05 7.78E-05 β-Hydroxyisovaleric acid 8.35E-05 9.72E-05 9.05E-05 9.11E-05 8.22E-05 0.00012334 0.000127302 0.000104025 2-Hydroxy-4-methylvaleric acid;2-Hydroxy-3-methylvaleric acid 0.000135231 0.000338436 0.000292438 0.000139719 0.000200282 4.91E-05 0.00011109 0.00027001 0.000178059 2-Hydroxyisovaleric acid;2-Hydroxyvaleric acid 0.000115341 8.66E-05 6.62E-05 8.77E-05 Butyric acid;Isobutyric acid 0.000194981 0.00011866 0.000175098 0.000174309 0.000137355 0.00022048 Glutaric acid;Methylsuccinic acid 0.000129622 0.000189785 0.000196174 0.000233586 0.00022109 0.000216471 0.000337918 0.000300954 0.000453658 Heptadecanoic acid;Fatty acid(17:0) 0.000478629 0.000234263 0.000245618 0.000237928 0.000318083 0.000203911 0.000239675 0.000297521 0.000282158 Isovaleric acid;DL-2-Methylbutyric Acid;Valeric acid 0.000125428 0.000106997 myo-Inositol 3-phosphate;myo-Inositol 1-phosphate 8.04E-05 3.59E-05 7.01E-05 4.80E-05 5.18E-05 N-Acetyl-β-alanine;N-Acetylalanine 4.10E-05 5.36E-05 3.67E-05 4.60E-05 4.36E-05 Xylulose 5-phosphate;Ribose 1-phosphate 7.54E-05 0.00014059 9.71E-05 0.000104249 0.000174849 0.000114992 0.000212466 0.000150804 0.000256416 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name PubChem CID m/z MT/RT 1,2,3-Propanetricarboxylic acid 14925 175.024785 17.03147533 2-Deoxyribonic acid 11528367 149.045495 7.1706455 2-Hydroxyglutaric acid 43 147.0301033 12.646769 2-Hydroxypyridine 8871 94.028055 4.54481135 2-Oxobutyric acid 58 101.02435 8.9602775 2-Oxoglutaric acid 51 145.01434 14.580748 2-Oxoisovaleric acid 49 115.03945 8.3181 3,4-Dihydroxyphenylglycol 91528 169.04888 4.55594735 3'-AMP 41211 346.0569167 7.894294333 3-Deoxy-D-manno-2-octulosonic acid 10857507 237.0628 6.36939645 3-Hydroxy-3-methylglutaric acid 1662 161.04643 11.78704125 3-Hydroxybutyric acid 441 103.04179 7.870164 3-Hydroxypropionic acid 68152 89.02471 8.523706667 3-Methoxy-4-hydroxyphenylethyleneglycol 10805 183.06696 4.5503807 3-Nitropropionic acid 1678 118.014655 8.604989333 3-Phenylpropionic acid 107 149.05926 7.30382725 3-Phosphoglyceric acid 439183 184.98641 13.88562325 3'-UMP 101543 323.027254 8.1837419 3-Ureidoisobutyric acid 88558720 145.06075 7.2033267 5-Oxoproline 7405 128.03483 7.821554167 6-Phosphogluconic acid 91493 275.016535 11.1937985 Adenylosuccinic acid 447145 462.06357 10.705458 Allantoic acid 203 175.0474133 7.211447367 AMP 6083 346.05715 7.539094633 Ascorbate 2-glucoside 54693473 337.0790067 6.042136333 Biotin 171548 243.082655 6.308413667 cis-Aconitic acid 643757 173.0093067 17.140155 Citric acid 311 191.01945 16.46143967 CMP 6131 322.0457567 7.781164933 CMP-N-acetylneuraminate 448209 613.1466275 6.8091195 Decanoic acid 2969 171.13744 6.56993 Ethanolamine phosphate 1015 140.0120867 6.697226567 Ethyl glucuronide 18392195 221.06711 6.515916867 Fructose 6-phosphate 603 259.024155 8.056433 Fumaric acid 444972 115.0035967 16.285397 Glucaric acid 33037 209.0309733 11.19907833 Gluconic acid 10690 195.0514267 6.793450233 Glucosamine 6-phosphate 440997 258.0391067 7.411152 Glucose 1-phosphate 65533 259.0226867 8.272499 Glucose 6-phosphate 5958 259.0233667 8.054445 Glyceric acid 439194 105.01932 8.435026667 Glycerol 2-phosphate 2526 171.005815 10.023096 Glycerol 3-phosphate 439162 171.00629 9.657334333 GMP 6804 362.0528233 7.430048783 Hexanoic acid 8892 115.07661 7.4101125 Homocitric acid 28371 205.03613 15.71447733 IDP 6831 427.00485 8.7841 Iminodiacetic acid 8897 132.03117 7.76881454 IMP 8582 347.0410583 7.740526333 Isethionic acid 7866 124.9913767 9.247575333 Isocitric acid 1198 191.0197433 17.41144767 Lactic acid 612 89.02436667 8.715783333 Lauric acid 3893 199.1706467 6.441915967 Malic acid 525 133.0138233 14.610831 meso-Tartaric acid 447315 149.01065 14.49323 Mucic acid 3037582 209.0306 10.91148233 myo-Inositol 2-phosphate 160886 259.022645 8.534424 Myristoleic acid 5281119 225.1867033 6.319764433 N-Acetylasparagine 99715 173.05713 6.9486795 N-Acetylglucosamine 1-phosphate 440272 300.0497867 7.865920333 N-Acetylglutamic acid 70914 188.0563067 10.37311483 N-Acetylproline 66141 156.0668533 7.034630583 N-Acetylthreonine 152204 160.0616175 6.920072175 Octanoic acid 379 143.1069 6.9709883 o-Hydroxybenzoic acid 338 137.02452 8.475663333 Oxamic acid 974 88.00412333 10.269841 Pantothenic acid 6613 218.1039167 6.4418914 Pelargonic acid 8158 157.12384 6.8038335 Propionic acid 1032 73.02948 8.815884 Pyrrole-2-carboxylic acid 12473 110.024685 8.379214 Pyruvic acid 1060 87.00884 10.10751367 Quinic acid 6508 191.0562367 6.871138433 Ribulose 5-phosphate 439184 229.01346 8.891958 Shikimic acid 8742 173.04567 6.845266333 S-Sulfocysteine 115015 199.9698733 8.918905333 Succinic acid 1110 117.0191787 14.49694633 Tartaric acid 444305 149.0096433 15.110471 Terephthalic acid 7489 165.01912 12.44054867 Threonic acid 5460407 135.0296533 7.6219138 Tridecanoic acid 12530 213.18599 6.345663767 UMP 6030 323.030085 7.903095733 XA0004 144.0303333 7.677383333 XA0033 242.0802867 6.393795967 XA0065 445.0517467 5.968065433 β-Hydroxyisovaleric acid 69362 117.0556267 7.559065967 2-Hydroxy-4-methylvaleric acid;2-Hydroxy-3-methylvaleric acid 92779 131.071635 7.274828517 2-Hydroxyisovaleric acid;2-Hydroxyvaleric acid 69362 117.056595 7.5638499 Butyric acid;Isobutyric acid 264 87.04508 8.095062 Glutaric acid;Methylsuccinic acid 743 131.03524 12.635636 Heptadecanoic acid;Fatty acid(17:0) 10465 131.03524 12.635636 Isovaleric acid;DL-2-Methylbutyric Acid;Valeric acid 10430 101.060905 7.703724 myo-Inositol 3-phosphate;myo-Inositol 1-phosphate 440194 259.02228 8.37363 N-Acetyl-β-alanine;N-Acetylalanine 88064 130.05076 7.344622567 Xylulose 5-phosphate;Ribose 1-phosphate 439236 229.0121 8.734274 METABOLITES_END #END