#METABOLOMICS WORKBENCH amitch_20151007_9478821_mwtab.txt DATATRACK_ID:388 STUDY_ID:ST000252 ANALYSIS_ID:AN000399 PROJECT_ID:PR000204 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Impact of recurrent hypoglycemia on brain metabolite profile. PR:PROJECT_SUMMARY The long-term goal of this project is to improve quality of life of diabetics PR:PROJECT_SUMMARY improving their neurological PR:INSTITUTE University of Florida PR:DEPARTMENT serious complications of diabetes. Long-term diabetes also frequently leads to PR:DEPARTMENT subtle cerebral disorders PR:LABORATORY such as depression and cognitive disorders. Signs of accelerated brain aging PR:LABORATORY been observed in diabetics. Hyperglycemia is one of the contributing factors. PR:LABORATORY effect of mild / moderate hypoglycemia on brain metabolome is not known. We PR:LABORATORY that exposure to recurrent hypoglycemia leads to metabolomics alterations in PR:LABORATORY brain, ultimately precipitating long-term complications of diabetes. The PR:LABORATORY of this study is to determine the effect of mild / moderate hypoglycemia on PR:LABORATORY metabolism. PR:LAST_NAME Dave PR:FIRST_NAME Kunjan PR:ADDRESS 1420 N.W 9th Avenue, Two Story Lab, Room no 203, Locator code : D4-5 PR:EMAIL Kdave@med.miami.edu PR:PHONE - PR:FUNDING_SOURCE Southeastern Center for Integrated Metabolomics (SECIM) pilot and feasibility PR:FUNDING_SOURCE NIH U24 DK097209 #STUDY ST:STUDY_TITLE Impact of recurrent hypoglycemia on brain metabolite profile ST:STUDY_TYPE Insulin treatment in diabetic rats ST:STUDY_SUMMARY The goal of this study is to determine the effect of mild / moderate ST:STUDY_SUMMARY on brain metabolism. To achieve this goal insulin-treated diabetic rats will be ST:STUDY_SUMMARY to recurrent mild / moderate hypoglycemia. ST:INSTITUTE University of Florida ST:DEPARTMENT SECIM ST:LAST_NAME Dave ST:FIRST_NAME Kunjan ST:ADDRESS - ST:EMAIL Kdave@med.miami.edu ST:PHONE 305-243-3590 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 40 ST:STUDY_COMMENTS Two groups (i) Insulin treated diabetic + Recurrent hypoglycemia, (ii) Insulin ST:STUDY_COMMENTS diabetic + Recurrent hypoglycemia (only insulin injection) + Glucose infusion ST:STUDY_COMMENTS maintain glucose to baseline levels.Total 40 samples. Description: Ten ST:STUDY_COMMENTS samples and 10 hypothalamus sample from ITD+RH group of rats.Similarly, Ten ST:STUDY_COMMENTS samples and 10 hypothalamus sample from ITD+RH+Glucose group of rats. #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 SU:GENOTYPE_STRAIN Wistar SU:GENDER Male SU:ANIMAL_ANIMAL_SUPPLIER Charles River Laboratories SU:ANIMAL_HOUSING Division of Veterenary Resources, University of Miami SU:ANIMAL_LIGHT_CYCLE 12 hour day / light cycle SU:ANIMAL_FEED Ad libitum SU:ANIMAL_WATER Ad libitum SU:SPECIES_GROUP Mammal #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - KD_382783 Treatment:ITD+RH+Glucose | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_386165 Treatment:ITD+RH+Glucose | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_386926 Treatment:ITD+RH+Glucose | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_386927 Treatment:ITD+RH+Glucose | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_386937 Treatment:ITD+RH+Glucose | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_388421 Treatment:ITD+RH+Glucose | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_388426 Treatment:ITD+RH+Glucose | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_388430 Treatment:ITD+RH+Glucose | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_388432 Treatment:ITD+RH+Glucose | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_388433 Treatment:ITD+RH+Glucose | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_382783_2 Treatment:ITD+RH+Glucose | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_386165_2 Treatment:ITD+RH+Glucose | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_386926_2 Treatment:ITD+RH+Glucose | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_386927_2 Treatment:ITD+RH+Glucose | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_386937_2 Treatment:ITD+RH+Glucose | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_388421_2 Treatment:ITD+RH+Glucose | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_388426_2 Treatment:ITD+RH+Glucose | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_388430_2 Treatment:ITD+RH+Glucose | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_388432_2 Treatment:ITD+RH+Glucose | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_388433_2 Treatment:ITD+RH+Glucose | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_382772 Treatment:ITD+RH | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_382781 Treatment:ITD+RH | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_385112 Treatment:ITD+RH | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_385113 Treatment:ITD+RH | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_385115 Treatment:ITD+RH | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_386171 Treatment:ITD+RH | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_386935 Treatment:ITD+RH | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_388420 Treatment:ITD+RH | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_388422 Treatment:ITD+RH | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_388427 Treatment:ITD+RH | sample type:Hippocampus SUBJECT_SAMPLE_FACTORS - KD_382772_2 Treatment:ITD+RH | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_382781_2 Treatment:ITD+RH | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_385112_2 Treatment:ITD+RH | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_385113_2 Treatment:ITD+RH | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_385115_2 Treatment:ITD+RH | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_386171_2 Treatment:ITD+RH | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_386935_2 Treatment:ITD+RH | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_388420_2 Treatment:ITD+RH | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_388422_2 Treatment:ITD+RH | sample type:Hypothalamus SUBJECT_SAMPLE_FACTORS - KD_388427_2 Treatment:ITD+RH | sample type:Hypothalamus #COLLECTION CO:COLLECTION_SUMMARY Rats were euthanized under isoflurane anesthesia (30% O2 / 70% N2O) CO:SAMPLE_TYPE Tissue CO:COLLECTION_METHOD Hippocampus and Hypothalamus were disected out qucikly and were frozen in CO:COLLECTION_METHOD nitrogen. CO:VOLUMEORAMOUNT_COLLECTED Entire hippocampus and hypothalamus were collected. CO:STORAGE_CONDITIONS Samples were stored at - 80 o C freezer and shipped to Metabolomics facility on CO:STORAGE_CONDITIONS ice. CO:COLLECTION_VIALS 1.5 ml tubes CO:STORAGE_VIALS 1.5 ml tubes CO:COLLECTION_TUBE_TEMP RT at the time of sample collection CO:TISSUE_CELL_IDENTIFICATION Hippocampus and hypothalamus CO:TISSUE_CELL_QUANTITY_TAKEN Entire hippocampus and hypothalamus were collected. #TREATMENT TR:TREATMENT_SUMMARY Two groups (i) Insulin-treated diabetic + Recurrent hypoglycemia, (ii) TR:TREATMENT_SUMMARY diabetic + Recurrent hypoglycemia (only insulin injection without hypoglycemia) TR:TREATMENT_SUMMARY Glucose infusion to maintain glucose to baseline levels. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Brain_Tissue_Sampleprep.pdf SP:SAMPLEPREP_PROTOCOL_COMMENTS Appendix C_Protein_DNA_quant.pdf SP:ORGAN Brain #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap CH:COLUMN_NAME ACE Excel 2 C18-PFP (100 x 2.1mm, 2um) CH:METHODS_FILENAME Metabolomics_LCMSProtocol.pdf CH:INTERNAL_STANDARD Appendix A - Internal Standard Prep GLCMS.pdf #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Garrett Lab AN:DETECTOR_TYPE Orbitrap #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Area MS_METABOLITE_DATA_START Samples KD_382783 KD_386165 KD_386926 KD_386927 KD_386937 KD_388421 KD_388426 KD_388430 KD_388432 KD_388433 KD_382783_2 KD_386165_2 KD_386926_2 KD_386927_2 KD_386937_2 KD_388421_2 KD_388426_2 KD_388430_2 KD_388432_2 KD_388433_2 KD_382772 KD_382781 KD_385112 KD_385113 KD_385115 KD_386171 KD_386935 KD_388420 KD_388422 KD_388427 KD_382772_2 KD_382781_2 KD_385112_2 KD_385113_2 KD_385115_2 KD_386171_2 KD_386935_2 KD_388420_2 KD_388422_2 KD_388427_2 Factors Treatment:ITD+RH+Glucose | sample type:Hippocampus Treatment:ITD+RH+Glucose | sample type:Hippocampus Treatment:ITD+RH+Glucose | sample type:Hippocampus Treatment:ITD+RH+Glucose | sample type:Hippocampus Treatment:ITD+RH+Glucose | sample type:Hippocampus Treatment:ITD+RH+Glucose | sample type:Hippocampus Treatment:ITD+RH+Glucose | sample type:Hippocampus Treatment:ITD+RH+Glucose | sample type:Hippocampus Treatment:ITD+RH+Glucose | sample type:Hippocampus Treatment:ITD+RH+Glucose | sample type:Hippocampus Treatment:ITD+RH+Glucose | sample type:Hypothalamus Treatment:ITD+RH+Glucose | sample type:Hypothalamus Treatment:ITD+RH+Glucose | sample type:Hypothalamus Treatment:ITD+RH+Glucose | sample type:Hypothalamus Treatment:ITD+RH+Glucose | sample type:Hypothalamus Treatment:ITD+RH+Glucose | sample type:Hypothalamus Treatment:ITD+RH+Glucose | sample type:Hypothalamus Treatment:ITD+RH+Glucose | sample type:Hypothalamus Treatment:ITD+RH+Glucose | sample type:Hypothalamus Treatment:ITD+RH+Glucose | sample type:Hypothalamus Treatment:ITD+RH | sample type:Hippocampus Treatment:ITD+RH | sample type:Hippocampus Treatment:ITD+RH | sample type:Hippocampus Treatment:ITD+RH | sample type:Hippocampus Treatment:ITD+RH | sample type:Hippocampus Treatment:ITD+RH | sample type:Hippocampus Treatment:ITD+RH | sample type:Hippocampus Treatment:ITD+RH | sample type:Hippocampus Treatment:ITD+RH | sample type:Hippocampus Treatment:ITD+RH | sample type:Hippocampus Treatment:ITD+RH | sample type:Hypothalamus Treatment:ITD+RH | sample type:Hypothalamus Treatment:ITD+RH | sample type:Hypothalamus Treatment:ITD+RH | sample type:Hypothalamus Treatment:ITD+RH | sample type:Hypothalamus Treatment:ITD+RH | sample type:Hypothalamus Treatment:ITD+RH | sample type:Hypothalamus Treatment:ITD+RH | sample type:Hypothalamus Treatment:ITD+RH | sample type:Hypothalamus Treatment:ITD+RH | sample type:Hypothalamus 3-HYDROXY-3-METHYLGLUTARATE 17500000.0000 9110000.0000 10600000.0000 12800000.0000 14500000.0000 16400000.0000 9730000.0000 9950000.0000 10600000.0000 6270000.0000 3630000.0000 4410000.0000 5500000.0000 8580000.0000 4770000.0000 5550000.0000 6950000.0000 4340000.0000 2470000.0000 4330000.0000 4850000.0000 7660000.0000 5770000.0000 4930000.0000 6960000.0000 5570000.0000 4390000.0000 3440000.0000 3290000.0000 5920000.0000 8630000.0000 6660000.0000 6130000.0000 10900000.0000 9440000.0000 6610000.0000 4660000.0000 13400000.0000 8770000.0000 3-SULFINO-L-ALANINE 4360000.0000 3580000.0000 4730000.0000 4570000.0000 3690000.0000 3870000.0000 3520000.0000 4520000.0000 4230000.0000 1060000.0000 1460000.0000 2350000.0000 2270000.0000 3490000.0000 987000.0000 732000.0000 551000.0000 1160000.0000 1730000.0000 4970000.0000 701000.0000 3000000.0000 2340000.0000 2920000.0000 2460000.0000 2550000.0000 800000.0000 1800000.0000 2140000.0000 1390000.0000 1570000.0000 3550000.0000 319000.0000 3430000.0000 1450000.0000 3670000.0000 3360000.0000 3300000.0000 3280000.0000 5-OXO-L-PROLINE 243000000.0000 124000000.0000 168000000.0000 206000000.0000 139000000.0000 226000000.0000 102000000.0000 205000000.0000 145000000.0000 154000000.0000 91400000.0000 109000000.0000 154000000.0000 182000000.0000 109000000.0000 116000000.0000 168000000.0000 155000000.0000 59000000.0000 123000000.0000 153000000.0000 165000000.0000 144000000.0000 112000000.0000 161000000.0000 152000000.0000 165000000.0000 70900000.0000 62200000.0000 127000000.0000 131000000.0000 100000000.0000 81700000.0000 150000000.0000 123000000.0000 122000000.0000 116000000.0000 169000000.0000 93300000.0000 ADENINE 961000.0000 951000.0000 1660000.0000 4100000.0000 4800000.0000 3300000.0000 1280000.0000 853000.0000 2580000.0000 200000.0000 204000.0000 299000.0000 420000.0000 130000.0000 558000.0000 215000.0000 1540000.0000 1330000.0000 1130000.0000 23300.0000 276000.0000 335000.0000 115000.0000 103000.0000 75300.0000 594000.0000 344000.0000 531000.0000 539000.0000 3590000.0000 1320000.0000 664000.0000 1270000.0000 1370000.0000 3600000.0000 3370000.0000 1780000.0000 4330000.0000 1350000.0000 ADENOSINE 888.0000 927.0000 5150.0000 881.0000 14000.0000 667.0000 28100.0000 790.0000 228000.0000 8660.0000 654.0000 742.0000 660.0000 2530.0000 613.0000 1220.0000 7370.0000 2310.0000 2600.0000 3110.0000 17600.0000 70200.0000 17100.0000 1710.0000 10500.0000 9190.0000 573000.0000 31400.0000 7580.0000 42900.0000 ADENOSINE 5^-MONOPHOSPHATE 1040000.0000 1800000.0000 1920000.0000 2290000.0000 5460000.0000 749000.0000 2430000.0000 932000.0000 1830000.0000 1280000.0000 911000.0000 1640000.0000 2100000.0000 1160000.0000 3350000.0000 2170000.0000 825000.0000 5870000.0000 4940000.0000 889000.0000 2230000.0000 1360000.0000 2120000.0000 2100000.0000 2160000.0000 1310000.0000 1110000.0000 4020000.0000 3480000.0000 2040000.0000 5650000.0000 2510000.0000 5740000.0000 3910000.0000 4950000.0000 4750000.0000 2840000.0000 740000.0000 5310000.0000 ADP 136000.0000 1040000.0000 883000.0000 596000.0000 5080000.0000 635000.0000 2060000.0000 1110000.0000 1280000.0000 1770000.0000 694000.0000 1880000.0000 1980000.0000 835000.0000 2340000.0000 1740000.0000 408000.0000 3270000.0000 667000.0000 781000.0000 3780000.0000 1630000.0000 1530000.0000 1750000.0000 1170000.0000 1650000.0000 1050000.0000 2300000.0000 1190000.0000 4430000.0000 11200000.0000 2120000.0000 6250000.0000 6190000.0000 8790000.0000 4210000.0000 2980000.0000 1700000.0000 3330000.0000 ALDOPENTOSE 7680000.0000 3940000.0000 4490000.0000 6350000.0000 5580000.0000 7290000.0000 4050000.0000 4240000.0000 5590000.0000 4560000.0000 2380000.0000 3790000.0000 4930000.0000 6500000.0000 3330000.0000 4420000.0000 4760000.0000 2660000.0000 1940000.0000 1550000.0000 4120000.0000 4830000.0000 4860000.0000 3280000.0000 5290000.0000 3480000.0000 3350000.0000 2660000.0000 2620000.0000 3190000.0000 3150000.0000 2940000.0000 2860000.0000 4860000.0000 3600000.0000 2880000.0000 2150000.0000 5840000.0000 4100000.0000 ALPHA-AMINOADIPATE_R1 2280000.0000 2370000.0000 1680000.0000 2170000.0000 1890000.0000 1640000.0000 2330000.0000 1420000.0000 2630000.0000 1830000.0000 2150000.0000 1230000.0000 2230000.0000 2040000.0000 1140000.0000 2690000.0000 1050000.0000 1400000.0000 1170000.0000 1160000.0000 1500000.0000 1760000.0000 1340000.0000 1030000.0000 2490000.0000 1970000.0000 1230000.0000 836000.0000 1400000.0000 775000.0000 1220000.0000 1530000.0000 1170000.0000 1260000.0000 1430000.0000 1330000.0000 776000.0000 1180000.0000 1750000.0000 ALPHA-AMINOADIPATE_R2 1070000.0000 440000.0000 435000.0000 1500000.0000 543000.0000 1090000.0000 232000.0000 293000.0000 632000.0000 400000.0000 595000.0000 103000.0000 555000.0000 859000.0000 52300.0000 382000.0000 288000.0000 96300.0000 69100.0000 252000.0000 635000.0000 717000.0000 339000.0000 192000.0000 1090000.0000 184000.0000 450000.0000 187000.0000 111000.0000 273000.0000 442000.0000 288000.0000 370000.0000 483000.0000 558000.0000 143000.0000 304000.0000 1110000.0000 409000.0000 ALPHA-HYDROXYISOBUTYRIC ACID 3990000.0000 1480000.0000 4140000.0000 3840000.0000 7530000.0000 3170000.0000 4150000.0000 3910000.0000 6090000.0000 1970000.0000 1560000.0000 1330000.0000 2680000.0000 4890000.0000 1360000.0000 2380000.0000 4600000.0000 1440000.0000 856000.0000 1390000.0000 1740000.0000 2880000.0000 2480000.0000 1450000.0000 5180000.0000 1790000.0000 1880000.0000 1300000.0000 1400000.0000 1130000.0000 1650000.0000 1280000.0000 1560000.0000 4620000.0000 2590000.0000 1330000.0000 1080000.0000 7520000.0000 5420000.0000 ALPHA-KETOGLUTARIC ACID 3650000.0000 832000.0000 3070000.0000 1230000.0000 1620000.0000 2150000.0000 2990000.0000 3820000.0000 1030000.0000 2340000.0000 1280000.0000 1200000.0000 1840000.0000 1580000.0000 1420000.0000 1880000.0000 9440000.0000 1680000.0000 750000.0000 104000.0000 1500000.0000 772000.0000 1370000.0000 1180000.0000 1080000.0000 1860000.0000 1260000.0000 335000.0000 997000.0000 4800000.0000 7390000.0000 712000.0000 1840000.0000 2640000.0000 2430000.0000 939000.0000 1130000.0000 1870000.0000 968000.0000 Arachidonic Acid (20:4) 14800000.0000 1620000.0000 2650000.0000 10800000.0000 8860000.0000 19800000.0000 488000.0000 8710000.0000 944000.0000 1520000.0000 252000.0000 1150000.0000 2230000.0000 4030000.0000 423000.0000 454000.0000 4010000.0000 651000.0000 274000.0000 397000.0000 7270000.0000 3650000.0000 6190000.0000 192000.0000 16700000.0000 391000.0000 613000.0000 177000.0000 198000.0000 1310000.0000 4730000.0000 604000.0000 709000.0000 2740000.0000 4090000.0000 471000.0000 289000.0000 1090000.0000 1390000.0000 ASPARTATE 373000000.0000 186000000.0000 227000000.0000 355000000.0000 225000000.0000 394000000.0000 169000000.0000 36800.0000 255000000.0000 220000000.0000 271000000.0000 201000000.0000 221000000.0000 294000000.0000 370000000.0000 216000000.0000 229000000.0000 444000000.0000 210000000.0000 145000000.0000 278000000.0000 240000000.0000 228000000.0000 290000000.0000 197000000.0000 295000000.0000 233000000.0000 210000000.0000 170000000.0000 144000000.0000 184000000.0000 169000000.0000 130000000.0000 125000000.0000 223000000.0000 177000000.0000 137000000.0000 138000000.0000 318000000.0000 157000000.0000 Background Ion 1130000.0000 405000.0000 464000.0000 753000.0000 1390000.0000 796000.0000 627000.0000 219000.0000 384000.0000 94500.0000 39100.0000 186000.0000 102000.0000 272000.0000 19200.0000 399000.0000 59600.0000 77800.0000 23600.0000 9290.0000 52700.0000 89700.0000 260000.0000 287000.0000 377000.0000 55100.0000 4280.0000 275000.0000 229000.0000 286000.0000 261000.0000 141000.0000 479000.0000 661000.0000 548000.0000 103000.0000 46400.0000 1300000.0000 556000.0000 CITRATE 347000000.0000 191000000.0000 140000000.0000 233000000.0000 176000000.0000 277000000.0000 125000000.0000 257000000.0000 160000000.0000 174000000.0000 108000000.0000 109000000.0000 156000000.0000 178000000.0000 151000000.0000 127000000.0000 176000000.0000 196000000.0000 56500000.0000 74400000.0000 169000000.0000 171000000.0000 149000000.0000 110000000.0000 177000000.0000 174000000.0000 212000000.0000 84600000.0000 59700000.0000 174000000.0000 203000000.0000 80500000.0000 122000000.0000 195000000.0000 184000000.0000 131000000.0000 143000000.0000 169000000.0000 115000000.0000 CITRIC ACID-13C6 37900000.0000 35900000.0000 38900000.0000 41100000.0000 47500000.0000 32300000.0000 43600000.0000 39700000.0000 45800000.0000 42000000.0000 45400000.0000 44700000.0000 45000000.0000 48900000.0000 46700000.0000 45000000.0000 44000000.0000 55700000.0000 40300000.0000 24500000.0000 38600000.0000 47500000.0000 41400000.0000 37100000.0000 41600000.0000 47500000.0000 39000000.0000 40700000.0000 40800000.0000 42600000.0000 45100000.0000 40800000.0000 36500000.0000 46400000.0000 43500000.0000 46800000.0000 38100000.0000 33600000.0000 43100000.0000 CMP 2710000.0000 2020000.0000 2180000.0000 2800000.0000 3210000.0000 2650000.0000 2310000.0000 2080000.0000 2290000.0000 1720000.0000 1240000.0000 1660000.0000 2090000.0000 2530000.0000 1500000.0000 1880000.0000 2310000.0000 1600000.0000 1060000.0000 2190000.0000 1770000.0000 2260000.0000 2110000.0000 1600000.0000 2500000.0000 1610000.0000 1630000.0000 1390000.0000 1380000.0000 1790000.0000 2370000.0000 1920000.0000 2080000.0000 2620000.0000 2370000.0000 1890000.0000 1460000.0000 2580000.0000 2420000.0000 CREATINE 148000000.0000 109000000.0000 125000000.0000 141000000.0000 144000000.0000 142000000.0000 116000000.0000 130000000.0000 125000000.0000 103000000.0000 91100000.0000 93900000.0000 112000000.0000 131000000.0000 93800000.0000 98300000.0000 131000000.0000 95900000.0000 69100000.0000 105000000.0000 97800000.0000 122000000.0000 116000000.0000 99300000.0000 112000000.0000 100000000.0000 96200000.0000 83000000.0000 78500000.0000 103000000.0000 107000000.0000 108000000.0000 104000000.0000 130000000.0000 113000000.0000 106000000.0000 92200000.0000 136000000.0000 113000000.0000 CREATININE 16500000.0000 7700000.0000 9050000.0000 14700000.0000 12400000.0000 15500000.0000 8130000.0000 10400000.0000 9680000.0000 7150000.0000 5040000.0000 5330000.0000 7310000.0000 10200000.0000 5110000.0000 6140000.0000 11400000.0000 5230000.0000 2770000.0000 6210000.0000 6350000.0000 8180000.0000 7960000.0000 5870000.0000 8220000.0000 6140000.0000 5430000.0000 3860000.0000 2550000.0000 7140000.0000 7940000.0000 6110000.0000 6210000.0000 10700000.0000 7930000.0000 6580000.0000 5120000.0000 13300000.0000 7390000.0000 CYTIDINE 14500000.0000 6160000.0000 6850000.0000 11400000.0000 8070000.0000 9440000.0000 4380000.0000 10600000.0000 6780000.0000 2160000.0000 1510000.0000 2000000.0000 1960000.0000 2310000.0000 908000.0000 1460000.0000 3240000.0000 1870000.0000 1030000.0000 3590000.0000 2990000.0000 2140000.0000 2670000.0000 2180000.0000 2310000.0000 2320000.0000 1910000.0000 1230000.0000 1230000.0000 7330000.0000 7310000.0000 4900000.0000 5060000.0000 7960000.0000 7990000.0000 6240000.0000 5780000.0000 9120000.0000 4490000.0000 D-GLUCOSAMINE 6-PHOSPHATE 8970000.0000 5810000.0000 6810000.0000 9460000.0000 7820000.0000 11200000.0000 5250000.0000 6310000.0000 6860000.0000 4720000.0000 3380000.0000 3060000.0000 4910000.0000 6820000.0000 3080000.0000 3740000.0000 4540000.0000 2420000.0000 1970000.0000 3580000.0000 3820000.0000 5380000.0000 4620000.0000 4660000.0000 5550000.0000 4120000.0000 3580000.0000 3590000.0000 2280000.0000 4420000.0000 4480000.0000 4740000.0000 3990000.0000 7150000.0000 5200000.0000 4210000.0000 4040000.0000 8440000.0000 5420000.0000 DIHYDROXYACETONE PHOSPHATE 19400000.0000 45100000.0000 22600000.0000 16700000.0000 33700000.0000 18300000.0000 45400000.0000 4320.0000 20300000.0000 48200000.0000 38500000.0000 43400000.0000 44100000.0000 44100000.0000 20800000.0000 63400000.0000 43900000.0000 27800000.0000 68100000.0000 34200000.0000 13700000.0000 44400000.0000 51500000.0000 29400000.0000 38900000.0000 19000000.0000 65000000.0000 63000000.0000 51000000.0000 40400000.0000 68000000.0000 87900000.0000 45900000.0000 66600000.0000 40900000.0000 60600000.0000 64300000.0000 57600000.0000 18100000.0000 54400000.0000 Docosahexaenoic Acid (22:6) 28800000.0000 2650000.0000 5360000.0000 20400000.0000 32000000.0000 26500000.0000 637000.0000 13500000.0000 1510000.0000 1840000.0000 179000.0000 919000.0000 3680000.0000 13500000.0000 290000.0000 467000.0000 2470000.0000 573000.0000 147000.0000 240000.0000 16800000.0000 15500000.0000 8640000.0000 210000.0000 30300000.0000 773000.0000 3030000.0000 200000.0000 113000.0000 1700000.0000 8740000.0000 300000.0000 1280000.0000 10600000.0000 14500000.0000 740000.0000 328000.0000 1130000.0000 1680000.0000 D-RIBOSE 5-PHOSPHATE/RIBULOSE 5-PHOSPHATE 33600000.0000 37200000.0000 39300000.0000 37300000.0000 47900000.0000 37300000.0000 37500000.0000 23800000.0000 38300000.0000 22500000.0000 18000000.0000 22400000.0000 27000000.0000 28500000.0000 22800000.0000 22600000.0000 30300000.0000 18800000.0000 18700000.0000 28600000.0000 27300000.0000 40200000.0000 29700000.0000 29100000.0000 32400000.0000 27100000.0000 22600000.0000 29400000.0000 25800000.0000 32100000.0000 37600000.0000 39500000.0000 34900000.0000 47900000.0000 39200000.0000 29100000.0000 24700000.0000 49100000.0000 41700000.0000 D-SACCHARIC ACID 8120000.0000 5060000.0000 5710000.0000 3480000.0000 6220000.0000 5040000.0000 4180000.0000 6610000.0000 3730000.0000 6620000.0000 4620000.0000 4960000.0000 4710000.0000 3440000.0000 5530000.0000 5410000.0000 4870000.0000 7380000.0000 4140000.0000 261000.0000 3880000.0000 5200000.0000 3510000.0000 3250000.0000 3150000.0000 6120000.0000 4910000.0000 2180000.0000 4770000.0000 5230000.0000 6700000.0000 3180000.0000 4330000.0000 5490000.0000 5230000.0000 4700000.0000 4240000.0000 6690000.0000 3540000.0000 Erythrose 4-Phosphate 2460000.0000 1850000.0000 2600000.0000 2200000.0000 1630000.0000 2100000.0000 1520000.0000 15200000.0000 980000.0000 3840000.0000 4600000.0000 688000.0000 1760000.0000 1810000.0000 1480000.0000 1780000.0000 13400000.0000 7830000.0000 4110000.0000 36400.0000 4780000.0000 728000.0000 649000.0000 3830000.0000 1440000.0000 9410000.0000 5420000.0000 481000.0000 4010000.0000 9250000.0000 12900000.0000 1180000.0000 6350000.0000 9470000.0000 7610000.0000 2060000.0000 6320000.0000 12500000.0000 1080000.0000 Fumaric Acid 71900000.0000 25100000.0000 39500000.0000 54600000.0000 49100000.0000 62200000.0000 30900000.0000 37000000.0000 39100000.0000 28700000.0000 20600000.0000 21000000.0000 30200000.0000 52700000.0000 19900000.0000 25200000.0000 49800000.0000 25000000.0000 10300000.0000 18000000.0000 24800000.0000 35500000.0000 33500000.0000 21000000.0000 37600000.0000 22700000.0000 17100000.0000 13400000.0000 12600000.0000 18900000.0000 24800000.0000 26900000.0000 20000000.0000 35600000.0000 26800000.0000 23400000.0000 14900000.0000 58800000.0000 25700000.0000 GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE 17500000.0000 14000000.0000 12700000.0000 21700000.0000 20800000.0000 27700000.0000 12500000.0000 8080000.0000 15500000.0000 8750000.0000 5580000.0000 7790000.0000 12000000.0000 17200000.0000 6960000.0000 11900000.0000 10200000.0000 4220000.0000 4350000.0000 5730000.0000 7890000.0000 8240000.0000 12600000.0000 8410000.0000 16800000.0000 5690000.0000 4620000.0000 7640000.0000 5790000.0000 7170000.0000 6990000.0000 7360000.0000 8630000.0000 14400000.0000 11100000.0000 5760000.0000 3500000.0000 24100000.0000 11800000.0000 GLUTATHIONE 13500000.0000 48500000.0000 60800000.0000 31700000.0000 50300000.0000 16000000.0000 55100000.0000 17900000.0000 52100000.0000 11800000.0000 10100000.0000 19700000.0000 20900000.0000 29900000.0000 12300000.0000 20600000.0000 7540000.0000 1710000.0000 6010000.0000 34400000.0000 9900000.0000 23400000.0000 24500000.0000 36800000.0000 31900000.0000 13000000.0000 3910000.0000 40500000.0000 25100000.0000 21200000.0000 14600000.0000 47900000.0000 37600000.0000 55000000.0000 29500000.0000 34800000.0000 20400000.0000 56000000.0000 67500000.0000 GLYCERALDEHYDE/LACTATE 1440000000.0000 745000000.0000 892000000.0000 1360000000.0000 1050000000.0000 1480000000.0000 813000000.0000 758000000.0000 979000000.0000 792000000.0000 545000000.0000 630000000.0000 854000000.0000 1170000000.0000 667000000.0000 815000000.0000 1180000000.0000 545000000.0000 469000000.0000 610000000.0000 784000000.0000 852000000.0000 853000000.0000 720000000.0000 1010000000.0000 632000000.0000 470000000.0000 630000000.0000 517000000.0000 738000000.0000 765000000.0000 608000000.0000 584000000.0000 1040000000.0000 773000000.0000 577000000.0000 424000000.0000 1400000000.0000 764000000.0000 GLYCERIC ACID 17100000.0000 5570000.0000 11500000.0000 12100000.0000 10800000.0000 16000000.0000 5980000.0000 9190000.0000 7700000.0000 5850000.0000 5720000.0000 4300000.0000 7070000.0000 11100000.0000 4510000.0000 4890000.0000 11800000.0000 14300000.0000 7560000.0000 471000.0000 3040000.0000 13900000.0000 7910000.0000 4450000.0000 8560000.0000 5010000.0000 4050000.0000 2320000.0000 2170000.0000 3580000.0000 4620000.0000 3540000.0000 3030000.0000 4940000.0000 2890000.0000 3590000.0000 2740000.0000 15800000.0000 4330000.0000 GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE 1240000.0000 272000.0000 425000.0000 1390000.0000 1600000.0000 741000.0000 499000.0000 3160.0000 858000.0000 623000.0000 874000.0000 486000.0000 768000.0000 638000.0000 1010000.0000 1040000.0000 761000.0000 1350000.0000 688000.0000 569000.0000 6490000.0000 2200000.0000 1870000.0000 1440000.0000 1120000.0000 969000.0000 1010000.0000 1790000.0000 599000.0000 1060000.0000 1510000.0000 1310000.0000 2370000.0000 821000.0000 1480000.0000 1220000.0000 1110000.0000 245000.0000 1050000.0000 458000.0000 GLYCOLATE 493000.0000 427000.0000 408000.0000 357000.0000 432000.0000 425000.0000 743000.0000 937000.0000 499000.0000 435000.0000 608000.0000 456000.0000 383000.0000 296000.0000 318000.0000 426000.0000 3330000.0000 1510000.0000 1070000.0000 234000.0000 436000.0000 254000.0000 276000.0000 340000.0000 342000.0000 555000.0000 266000.0000 362000.0000 468000.0000 868000.0000 2700000.0000 384000.0000 773000.0000 997000.0000 760000.0000 449000.0000 916000.0000 1500000.0000 305000.0000 Guanosine 7820000.0000 4770000.0000 3700000.0000 7520000.0000 5650000.0000 8460000.0000 3760000.0000 3660000.0000 3390000.0000 3110000.0000 1120000.0000 2740000.0000 4860000.0000 5750000.0000 2870000.0000 3420000.0000 4930000.0000 1520000.0000 1200000.0000 40400000.0000 4140000.0000 6300000.0000 4320000.0000 3830000.0000 5180000.0000 4510000.0000 4710000.0000 3400000.0000 3030000.0000 3750000.0000 3170000.0000 2100000.0000 3160000.0000 5650000.0000 5760000.0000 4150000.0000 3310000.0000 6540000.0000 5980000.0000 GUANOSINE 5^-MONOPHOSPHATE 861000.0000 2650000.0000 1930000.0000 1810000.0000 6620000.0000 985000.0000 3730000.0000 890000.0000 1810000.0000 1990000.0000 1240000.0000 2510000.0000 2940000.0000 1860000.0000 4670000.0000 3080000.0000 503000.0000 6950000.0000 6420000.0000 1230000.0000 2800000.0000 2020000.0000 2710000.0000 2600000.0000 2490000.0000 2120000.0000 1530000.0000 5160000.0000 4610000.0000 3010000.0000 3880000.0000 3080000.0000 5800000.0000 3980000.0000 5430000.0000 5340000.0000 3610000.0000 2480000.0000 7380000.0000 HEXOSE ALCOHOL 623000.0000 877000.0000 475000.0000 2540000.0000 1390000.0000 2810000.0000 581000.0000 234000.0000 516000.0000 785000.0000 761000.0000 388000.0000 520000.0000 643000.0000 1100000.0000 135000.0000 671000.0000 168000.0000 502000.0000 677000.0000 895000.0000 214000.0000 457000.0000 574000.0000 1350000.0000 343000.0000 50800.0000 972000.0000 331000.0000 740000.0000 709000.0000 93100.0000 441000.0000 836000.0000 530000.0000 235000.0000 89900.0000 2740000.0000 783000.0000 HEXOSE-PHOSPHATE 47800000.0000 59500000.0000 46000000.0000 51400000.0000 78900000.0000 68400000.0000 44200000.0000 32500000.0000 52800000.0000 51400000.0000 32300000.0000 43600000.0000 42200000.0000 47200000.0000 44900000.0000 52300000.0000 40900000.0000 33800000.0000 39500000.0000 25800000.0000 45600000.0000 38200000.0000 45100000.0000 35200000.0000 40600000.0000 27800000.0000 30100000.0000 40300000.0000 38300000.0000 38200000.0000 46400000.0000 48500000.0000 43000000.0000 61900000.0000 56700000.0000 35400000.0000 26200000.0000 60400000.0000 55600000.0000 HYPOXANTHINE 294000000.0000 152000000.0000 185000000.0000 235000000.0000 174000000.0000 254000000.0000 146000000.0000 260000000.0000 161000000.0000 200000000.0000 135000000.0000 159000000.0000 195000000.0000 233000000.0000 158000000.0000 175000000.0000 257000000.0000 204000000.0000 102000000.0000 49900000.0000 180000000.0000 199000000.0000 199000000.0000 141000000.0000 190000000.0000 180000000.0000 193000000.0000 103000000.0000 94100000.0000 151000000.0000 155000000.0000 120000000.0000 129000000.0000 195000000.0000 158000000.0000 145000000.0000 141000000.0000 178000000.0000 117000000.0000 INOSINE 244000000.0000 177000000.0000 207000000.0000 252000000.0000 263000000.0000 255000000.0000 192000000.0000 176000000.0000 208000000.0000 150000000.0000 118000000.0000 151000000.0000 185000000.0000 227000000.0000 134000000.0000 160000000.0000 216000000.0000 112000000.0000 107000000.0000 216000000.0000 160000000.0000 209000000.0000 191000000.0000 167000000.0000 213000000.0000 156000000.0000 141000000.0000 149000000.0000 138000000.0000 175000000.0000 190000000.0000 180000000.0000 161000000.0000 227000000.0000 196000000.0000 166000000.0000 134000000.0000 260000000.0000 202000000.0000 INOSINE 5^-MONOPHOSPHATE 1320000.0000 2170000.0000 817000.0000 1800000.0000 1670000.0000 813000.0000 2090000.0000 632000.0000 673000.0000 442000.0000 115000.0000 315000.0000 636000.0000 668000.0000 621000.0000 529000.0000 917000.0000 813000.0000 417000.0000 360000.0000 1090000.0000 1190000.0000 925000.0000 863000.0000 1070000.0000 450000.0000 1190000.0000 529000.0000 594000.0000 908000.0000 4670000.0000 3080000.0000 3880000.0000 2390000.0000 3430000.0000 1250000.0000 721000.0000 1490000.0000 3410000.0000 L-2-PHOSPHOGLYCERIC ACID 11500000.0000 5200000.0000 4910000.0000 7550000.0000 3740000.0000 13600000.0000 590000.0000 831.0000 8640000.0000 1400000.0000 2520000.0000 767000.0000 138000.0000 636000.0000 2800000.0000 319000.0000 360000.0000 5030000.0000 2790000.0000 2170000.0000 6820.0000 3690000.0000 4390000.0000 2860000.0000 492000.0000 4160000.0000 389000.0000 9540000.0000 276000.0000 278000.0000 786000.0000 1360000.0000 150000.0000 646000.0000 2760000.0000 2380000.0000 206000.0000 264000.0000 10800000.0000 82700.0000 L-ANSERINE 2140000.0000 1990000.0000 1810000.0000 2580000.0000 3030000.0000 2070000.0000 1380000.0000 2220000.0000 1690000.0000 1480000.0000 1850000.0000 1470000.0000 1880000.0000 3290000.0000 1540000.0000 1400000.0000 3970000.0000 1570000.0000 1140000.0000 1930000.0000 1550000.0000 2760000.0000 2450000.0000 1610000.0000 2610000.0000 2460000.0000 2610000.0000 1370000.0000 1110000.0000 1710000.0000 1400000.0000 1740000.0000 1620000.0000 2040000.0000 2200000.0000 2170000.0000 2420000.0000 2250000.0000 1280000.0000 L-CYSTEINE 5850000.0000 3720000.0000 6400000.0000 6450000.0000 985000.0000 6110000.0000 3050000.0000 4610000.0000 4480000.0000 3450000.0000 2360000.0000 3800000.0000 4240000.0000 6900000.0000 3350000.0000 3090000.0000 3260000.0000 2610000.0000 1900000.0000 7640000.0000 2400000.0000 5050000.0000 3950000.0000 3530000.0000 4860000.0000 3680000.0000 2250000.0000 2380000.0000 2290000.0000 2840000.0000 281000.0000 3950000.0000 689000.0000 3330000.0000 656000.0000 3860000.0000 1330000.0000 3680000.0000 2920000.0000 LEUCINE 1830000.0000 537000.0000 1290000.0000 2040000.0000 1640000.0000 2040000.0000 873000.0000 1250000.0000 1050000.0000 1160000.0000 338000.0000 966000.0000 1330000.0000 2700000.0000 972000.0000 1390000.0000 3840000.0000 707000.0000 546000.0000 239000.0000 866000.0000 1120000.0000 2210000.0000 763000.0000 2070000.0000 295000.0000 701000.0000 662000.0000 550000.0000 517000.0000 601000.0000 722000.0000 515000.0000 1120000.0000 775000.0000 284000.0000 335000.0000 2200000.0000 828000.0000 L-GLUTAMINE 28400000.0000 24600000.0000 34100000.0000 37400000.0000 38500000.0000 29100000.0000 31100000.0000 27600000.0000 31000000.0000 31300000.0000 27000000.0000 36800000.0000 41200000.0000 40600000.0000 34000000.0000 41100000.0000 44000000.0000 40500000.0000 33400000.0000 37500000.0000 34300000.0000 37400000.0000 39500000.0000 37200000.0000 46000000.0000 31100000.0000 30900000.0000 35300000.0000 32600000.0000 26400000.0000 28200000.0000 29300000.0000 34100000.0000 38800000.0000 35900000.0000 28300000.0000 26800000.0000 41100000.0000 33100000.0000 LL-2_6-DIAMINOHEPTANEDIOATE 3750000.0000 1140000.0000 2460000.0000 3720000.0000 3460000.0000 3070000.0000 2180000.0000 2050000.0000 1550000.0000 2360000.0000 860000.0000 2580000.0000 2730000.0000 4880000.0000 2720000.0000 2560000.0000 3900000.0000 1060000.0000 628000.0000 1300000.0000 1570000.0000 5420000.0000 3860000.0000 1460000.0000 3430000.0000 1080000.0000 1790000.0000 1970000.0000 1040000.0000 1090000.0000 962000.0000 1600000.0000 1090000.0000 2510000.0000 2010000.0000 1300000.0000 1030000.0000 3100000.0000 1620000.0000 L-METHIONINE 7580000.0000 3510000.0000 6860000.0000 8100000.0000 7610000.0000 8170000.0000 4940000.0000 6060000.0000 4800000.0000 5450000.0000 3890000.0000 6280000.0000 6410000.0000 10800000.0000 5060000.0000 6140000.0000 12700000.0000 987000.0000 154000.0000 1620000.0000 3930000.0000 7920000.0000 10500000.0000 3720000.0000 8130000.0000 3660000.0000 4090000.0000 3770000.0000 2140000.0000 2260000.0000 1980000.0000 4260000.0000 3580000.0000 5410000.0000 3630000.0000 3560000.0000 2690000.0000 8900000.0000 4280000.0000 L-TYROSINE 9450000.0000 4020000.0000 7400000.0000 8790000.0000 8400000.0000 9020000.0000 4800000.0000 7430000.0000 4880000.0000 5900000.0000 3600000.0000 6180000.0000 6960000.0000 10700000.0000 4880000.0000 5980000.0000 12400000.0000 5680000.0000 2820000.0000 1880000.0000 4330000.0000 8120000.0000 9110000.0000 3840000.0000 7370000.0000 4350000.0000 4680000.0000 3510000.0000 3100000.0000 3360000.0000 3220000.0000 4460000.0000 3850000.0000 6320000.0000 3830000.0000 4360000.0000 2870000.0000 8390000.0000 4570000.0000 L-VALINE 1310000.0000 537000.0000 877000.0000 1390000.0000 1210000.0000 1410000.0000 657000.0000 875000.0000 856000.0000 796000.0000 445000.0000 765000.0000 898000.0000 1460000.0000 664000.0000 958000.0000 2180000.0000 534000.0000 319000.0000 247000.0000 655000.0000 953000.0000 1230000.0000 529000.0000 1360000.0000 474000.0000 452000.0000 427000.0000 374000.0000 401000.0000 480000.0000 537000.0000 464000.0000 911000.0000 600000.0000 448000.0000 290000.0000 1550000.0000 647000.0000 MALATE 463000000.0000 217000000.0000 281000000.0000 386000000.0000 343000000.0000 396000000.0000 239000000.0000 282000000.0000 274000000.0000 223000000.0000 165000000.0000 169000000.0000 225000000.0000 332000000.0000 169000000.0000 200000000.0000 378000000.0000 178000000.0000 103000000.0000 172000000.0000 199000000.0000 261000000.0000 253000000.0000 169000000.0000 288000000.0000 188000000.0000 152000000.0000 132000000.0000 123000000.0000 183000000.0000 200000000.0000 204000000.0000 165000000.0000 274000000.0000 208000000.0000 187000000.0000 136000000.0000 395000000.0000 203000000.0000 Mono-(2-Ethylhexyl) Phthalate 7670000.0000 7110000.0000 8230000.0000 7680000.0000 8700000.0000 6870000.0000 8610000.0000 8390000.0000 8350000.0000 7510000.0000 8560000.0000 8470000.0000 8620000.0000 8660000.0000 8200000.0000 8350000.0000 8190000.0000 8560000.0000 8100000.0000 8560000.0000 7350000.0000 8390000.0000 8310000.0000 8330000.0000 7870000.0000 8590000.0000 8810000.0000 7480000.0000 8540000.0000 7120000.0000 8330000.0000 8630000.0000 8530000.0000 8150000.0000 7930000.0000 8800000.0000 8520000.0000 7560000.0000 8680000.0000 Mono-(2-Ethylhexyl) Phthalate Dimer 8300000.0000 592000.0000 765000.0000 6010000.0000 6910000.0000 9750000.0000 192000.0000 1970000.0000 480000.0000 555000.0000 147000.0000 274000.0000 653000.0000 3650000.0000 153000.0000 272000.0000 622000.0000 315000.0000 347000.0000 129000.0000 4960000.0000 2480000.0000 1430000.0000 171000.0000 7740000.0000 117000.0000 275000.0000 132000.0000 135000.0000 714000.0000 2100000.0000 220000.0000 384000.0000 1600000.0000 4520000.0000 265000.0000 252000.0000 422000.0000 634000.0000 N-ACETYL-DL-GLUTAMIC ACID 11800000.0000 4910000.0000 6140000.0000 10700000.0000 7240000.0000 11000000.0000 5360000.0000 6070000.0000 6080000.0000 5280000.0000 3730000.0000 3360000.0000 4810000.0000 7370000.0000 4150000.0000 3800000.0000 12800000.0000 3110000.0000 1730000.0000 4470000.0000 3630000.0000 7970000.0000 5170000.0000 3890000.0000 5640000.0000 5260000.0000 4650000.0000 2680000.0000 2120000.0000 4660000.0000 5180000.0000 4710000.0000 3620000.0000 8030000.0000 5960000.0000 4520000.0000 3380000.0000 8030000.0000 4740000.0000 N-ACETYL-D-MANNOSAMINE 922000.0000 783000.0000 1580000.0000 2040000.0000 969000.0000 1790000.0000 860000.0000 676000.0000 1330000.0000 576000.0000 773000.0000 1010000.0000 1660000.0000 2640000.0000 784000.0000 1260000.0000 1700000.0000 136000.0000 283000.0000 780000.0000 649000.0000 2090000.0000 2000000.0000 978000.0000 2300000.0000 771000.0000 1620000.0000 1050000.0000 686000.0000 134000.0000 42700.0000 914000.0000 667000.0000 1300000.0000 461000.0000 540000.0000 483000.0000 1810000.0000 1110000.0000 N-ACETYL-HEXOSAMINE 1590000.0000 1010000.0000 1190000.0000 1670000.0000 1290000.0000 1740000.0000 1150000.0000 1380000.0000 1400000.0000 1630000.0000 1000000.0000 1400000.0000 2070000.0000 2260000.0000 1530000.0000 1630000.0000 1820000.0000 1340000.0000 794000.0000 516000.0000 2040000.0000 1640000.0000 2020000.0000 1350000.0000 1900000.0000 1710000.0000 1790000.0000 1070000.0000 1130000.0000 1010000.0000 941000.0000 809000.0000 866000.0000 1210000.0000 968000.0000 1000000.0000 804000.0000 1130000.0000 941000.0000 N-ACETYL-L-ALANINE 7280000.0000 2420000.0000 4200000.0000 6750000.0000 3810000.0000 7000000.0000 2690000.0000 6250000.0000 2920000.0000 5220000.0000 3720000.0000 4150000.0000 4860000.0000 7020000.0000 4550000.0000 3880000.0000 10600000.0000 4120000.0000 1940000.0000 546000.0000 3000000.0000 5240000.0000 7010000.0000 2260000.0000 5320000.0000 3850000.0000 3930000.0000 2220000.0000 1660000.0000 2500000.0000 1990000.0000 1950000.0000 2160000.0000 3920000.0000 3090000.0000 2000000.0000 2580000.0000 5670000.0000 1980000.0000 N-ACETYL-L-ASPARTIC ACID 2640000000.0000 1800000000.0000 2010000000.0000 2410000000.0000 2420000000.0000 2490000000.0000 1780000000.0000 1860000000.0000 1940000000.0000 1230000000.0000 628000000.0000 1180000000.0000 1290000000.0000 1460000000.0000 941000000.0000 1450000000.0000 1330000000.0000 1160000000.0000 873000000.0000 1010000000.0000 1500000000.0000 1820000000.0000 1390000000.0000 1330000000.0000 1690000000.0000 1120000000.0000 1310000000.0000 1120000000.0000 991000000.0000 1580000000.0000 1810000000.0000 1470000000.0000 1350000000.0000 2190000000.0000 1810000000.0000 1570000000.0000 1250000000.0000 2370000000.0000 1710000000.0000 N-ACETYLNEURAMINATE 45800000.0000 30800000.0000 42900000.0000 53000000.0000 52200000.0000 48200000.0000 35700000.0000 43800000.0000 37300000.0000 41300000.0000 31400000.0000 43200000.0000 53500000.0000 65100000.0000 42300000.0000 49600000.0000 55500000.0000 45800000.0000 33600000.0000 35200000.0000 36700000.0000 51200000.0000 51100000.0000 35800000.0000 49100000.0000 37400000.0000 39500000.0000 36900000.0000 30300000.0000 32500000.0000 33200000.0000 30700000.0000 29600000.0000 47500000.0000 36600000.0000 34700000.0000 30100000.0000 50500000.0000 34900000.0000 NICOTINAMIDE 5130000.0000 2470000.0000 3050000.0000 4350000.0000 3750000.0000 5040000.0000 2670000.0000 3590000.0000 3000000.0000 3280000.0000 2280000.0000 2520000.0000 3470000.0000 4620000.0000 2530000.0000 3060000.0000 4680000.0000 2920000.0000 1720000.0000 2590000.0000 3020000.0000 3840000.0000 3730000.0000 2480000.0000 3750000.0000 2980000.0000 3150000.0000 2100000.0000 1880000.0000 2670000.0000 2700000.0000 2200000.0000 2090000.0000 3380000.0000 2900000.0000 2460000.0000 2080000.0000 3920000.0000 2390000.0000 N-METHYL-D-ASPARTIC ACID 671000000.0000 429000000.0000 545000000.0000 683000000.0000 609000000.0000 712000000.0000 443000000.0000 2290.0000 491000000.0000 488000000.0000 313000000.0000 266000000.0000 266000000.0000 358000000.0000 524000000.0000 224000000.0000 284000000.0000 326000000.0000 196000000.0000 171000000.0000 485000000.0000 243000000.0000 396000000.0000 384000000.0000 353000000.0000 425000000.0000 316000000.0000 269000000.0000 278000000.0000 200000000.0000 303000000.0000 350000000.0000 426000000.0000 343000000.0000 487000000.0000 373000000.0000 365000000.0000 321000000.0000 602000000.0000 457000000.0000 PHOSPHOCHOLINE 11900000.0000 10600000.0000 9970000.0000 12500000.0000 8850000.0000 11800000.0000 9250000.0000 8980000.0000 8810000.0000 7270000.0000 4730000.0000 9950000.0000 8910000.0000 10400000.0000 6060000.0000 10200000.0000 6320000.0000 6430000.0000 5420000.0000 5190000.0000 7680000.0000 8660000.0000 9460000.0000 8060000.0000 11100000.0000 6110000.0000 8300000.0000 6410000.0000 8320000.0000 7840000.0000 6750000.0000 10100000.0000 7810000.0000 10700000.0000 9630000.0000 9150000.0000 7390000.0000 13100000.0000 10700000.0000 PHOSPHO(ENOL)PYRUVIC ACID 3160000.0000 915000.0000 1500000.0000 2100000.0000 1420000.0000 3810000.0000 380000.0000 3780000.0000 177000.0000 933000.0000 1110000.0000 123000.0000 143000.0000 748000.0000 357000.0000 401000.0000 3270000.0000 1900000.0000 976000.0000 2290.0000 1090000.0000 1810000.0000 398000.0000 921000.0000 1120000.0000 2340000.0000 1350000.0000 107000.0000 990000.0000 2180000.0000 3100000.0000 291000.0000 1540000.0000 2160000.0000 1830000.0000 510000.0000 1550000.0000 3280000.0000 34900.0000 Proline 647000.0000 963000.0000 370000.0000 1440000.0000 505000.0000 227000.0000 1280000.0000 502000.0000 5450000.0000 1530000.0000 164000.0000 1960000.0000 1460000.0000 3140000.0000 198000.0000 1200000.0000 635000.0000 203000.0000 168000.0000 3060000.0000 1370000.0000 293000.0000 3580000.0000 1900000.0000 1780000.0000 568000.0000 484000.0000 3180000.0000 134000.0000 556000.0000 677000.0000 2140000.0000 324000.0000 411000.0000 508000.0000 150000.0000 573000.0000 341000.0000 3370000.0000 Salicylic Acid-D4 39400000.0000 33500000.0000 38600000.0000 42200000.0000 45000000.0000 35900000.0000 40100000.0000 40200000.0000 42500000.0000 39000000.0000 40200000.0000 41200000.0000 41600000.0000 46500000.0000 42400000.0000 41100000.0000 42100000.0000 49600000.0000 42200000.0000 24100000.0000 36300000.0000 44700000.0000 40100000.0000 35100000.0000 42000000.0000 44100000.0000 37500000.0000 36900000.0000 38600000.0000 38400000.0000 42500000.0000 38800000.0000 35200000.0000 43600000.0000 40900000.0000 42800000.0000 37500000.0000 36400000.0000 39700000.0000 SARCOSINE/BETA-ALANINE 46700000.0000 35100000.0000 38500000.0000 44400000.0000 44500000.0000 44900000.0000 34700000.0000 39200000.0000 37500000.0000 32000000.0000 27800000.0000 28400000.0000 33900000.0000 40300000.0000 28300000.0000 29800000.0000 39600000.0000 29300000.0000 21100000.0000 32600000.0000 30800000.0000 36400000.0000 35300000.0000 30000000.0000 35000000.0000 30000000.0000 29100000.0000 26700000.0000 24000000.0000 32000000.0000 32900000.0000 33100000.0000 31400000.0000 39400000.0000 34300000.0000 32700000.0000 27500000.0000 41600000.0000 34800000.0000 Succinic-2_2_3_3-D4 Acid 32000000.0000 34100000.0000 38800000.0000 37800000.0000 53100000.0000 25000000.0000 45400000.0000 42300000.0000 47200000.0000 43000000.0000 53300000.0000 47000000.0000 46100000.0000 47900000.0000 53300000.0000 46400000.0000 47000000.0000 70800000.0000 57200000.0000 25100000.0000 42100000.0000 51600000.0000 44100000.0000 38700000.0000 42200000.0000 53200000.0000 44700000.0000 45600000.0000 50900000.0000 46200000.0000 54900000.0000 45700000.0000 44900000.0000 50300000.0000 49500000.0000 52000000.0000 42900000.0000 32900000.0000 45400000.0000 SUCCINIC ACID-13C6 4650000.0000 5930000.0000 6770000.0000 6060000.0000 9170000.0000 3410000.0000 8130000.0000 7080000.0000 8570000.0000 7700000.0000 10200000.0000 8480000.0000 7890000.0000 7860000.0000 9890000.0000 8270000.0000 7950000.0000 14200000.0000 11200000.0000 4740000.0000 7710000.0000 7480000.0000 7750000.0000 7030000.0000 7100000.0000 9680000.0000 6820000.0000 8630000.0000 9940000.0000 8680000.0000 10700000.0000 8590000.0000 8250000.0000 8710000.0000 8830000.0000 9460000.0000 7460000.0000 5280000.0000 8150000.0000 TAURINE 277000000.0000 219000000.0000 231000000.0000 281000000.0000 249000000.0000 286000000.0000 210000000.0000 1040.0000 262000000.0000 225000000.0000 128000000.0000 120000000.0000 112000000.0000 120000000.0000 140000000.0000 113000000.0000 103000000.0000 125000000.0000 111000000.0000 88400000.0000 144000000.0000 126000000.0000 139000000.0000 127000000.0000 147000000.0000 132000000.0000 123000000.0000 109000000.0000 102000000.0000 99900000.0000 239000000.0000 237000000.0000 198000000.0000 199000000.0000 243000000.0000 222000000.0000 216000000.0000 199000000.0000 255000000.0000 213000000.0000 THREONINE/HOMOSERINE 26200000.0000 10100000.0000 17300000.0000 22500000.0000 16000000.0000 23700000.0000 12400000.0000 17200000.0000 14000000.0000 14900000.0000 8940000.0000 12800000.0000 13400000.0000 18900000.0000 12300000.0000 14600000.0000 32200000.0000 11100000.0000 6140000.0000 7420000.0000 11300000.0000 16000000.0000 19400000.0000 10900000.0000 18700000.0000 11400000.0000 10800000.0000 8470000.0000 6520000.0000 9790000.0000 9650000.0000 8480000.0000 8930000.0000 16800000.0000 11100000.0000 8780000.0000 9100000.0000 24500000.0000 9670000.0000 Tryptophan 7430000.0000 2730000.0000 4300000.0000 6230000.0000 4580000.0000 6210000.0000 2920000.0000 4970000.0000 3390000.0000 4960000.0000 2830000.0000 4080000.0000 4690000.0000 6680000.0000 4110000.0000 3940000.0000 10700000.0000 3300000.0000 2020000.0000 1180000.0000 3240000.0000 5660000.0000 6440000.0000 2480000.0000 5630000.0000 3370000.0000 3300000.0000 2630000.0000 2080000.0000 2890000.0000 2380000.0000 2990000.0000 2510000.0000 4100000.0000 3090000.0000 2560000.0000 2270000.0000 5250000.0000 2530000.0000 Tryptophan-2_3_3-D3 14300000.0000 13900000.0000 14300000.0000 15400000.0000 18100000.0000 12300000.0000 15800000.0000 16000000.0000 17500000.0000 16400000.0000 17600000.0000 16600000.0000 16600000.0000 18900000.0000 18400000.0000 16600000.0000 15400000.0000 22000000.0000 18300000.0000 8100000.0000 14700000.0000 17900000.0000 14900000.0000 13200000.0000 15300000.0000 19300000.0000 14900000.0000 16400000.0000 16700000.0000 16500000.0000 17300000.0000 16000000.0000 13800000.0000 17500000.0000 16500000.0000 18700000.0000 14500000.0000 11900000.0000 15800000.0000 URACIL 53100000.0000 21400000.0000 27100000.0000 38800000.0000 27000000.0000 43100000.0000 19100000.0000 43500000.0000 23300000.0000 36500000.0000 25000000.0000 24500000.0000 32100000.0000 40700000.0000 25900000.0000 30200000.0000 52600000.0000 34700000.0000 13400000.0000 3350000.0000 27900000.0000 34500000.0000 35500000.0000 19600000.0000 31300000.0000 30600000.0000 34600000.0000 13600000.0000 11100000.0000 23900000.0000 25600000.0000 13800000.0000 16900000.0000 28400000.0000 24500000.0000 23700000.0000 22600000.0000 28500000.0000 14400000.0000 URATE 6520000.0000 2460000.0000 2720000.0000 4450000.0000 3270000.0000 5320000.0000 2510000.0000 4100000.0000 2950000.0000 4670000.0000 2830000.0000 2760000.0000 3630000.0000 5860000.0000 3120000.0000 4150000.0000 5750000.0000 4620000.0000 1520000.0000 1630000.0000 2890000.0000 3540000.0000 3790000.0000 2400000.0000 2990000.0000 2860000.0000 2200000.0000 2020000.0000 1610000.0000 2080000.0000 2290000.0000 2350000.0000 1900000.0000 3170000.0000 2780000.0000 2180000.0000 1530000.0000 4160000.0000 2360000.0000 URIDINE 41700000.0000 27500000.0000 39600000.0000 50300000.0000 50000000.0000 55900000.0000 36800000.0000 26500000.0000 40900000.0000 19800000.0000 12800000.0000 21200000.0000 31100000.0000 44800000.0000 18600000.0000 24000000.0000 30900000.0000 12000000.0000 11800000.0000 32500000.0000 25800000.0000 32500000.0000 31000000.0000 26000000.0000 40400000.0000 22200000.0000 16800000.0000 20500000.0000 19100000.0000 23800000.0000 28200000.0000 30700000.0000 22800000.0000 42900000.0000 32700000.0000 22600000.0000 16000000.0000 53500000.0000 35100000.0000 XANTHINE 217000000.0000 109000000.0000 147000000.0000 194000000.0000 175000000.0000 195000000.0000 125000000.0000 164000000.0000 144000000.0000 128000000.0000 89100000.0000 110000000.0000 138000000.0000 184000000.0000 102000000.0000 126000000.0000 182000000.0000 121000000.0000 68500000.0000 20300000.0000 111000000.0000 146000000.0000 148000000.0000 103000000.0000 150000000.0000 111000000.0000 106000000.0000 76700000.0000 73600000.0000 106000000.0000 123000000.0000 109000000.0000 100000000.0000 160000000.0000 124000000.0000 107000000.0000 91600000.0000 175000000.0000 114000000.0000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 3-HYDROXY-3-METHYLGLUTARATE 161.0457 3.02 UFLORIDA_MS_RI 1662 C03761 UFLORIDA_FEATURE 3-SULFINO-L-ALANINE 152.0024 0.76 UFLORIDA_MS_RI 1549098 C00606 UFLORIDA_FEATURE 5-OXO-L-PROLINE 128.0351 1.85 UFLORIDA_MS_RI 7405 C01879 UFLORIDA_FEATURE ADENINE 134.0471 1.58 UFLORIDA_MS_RI 190 C00147 UFLORIDA_FEATURE ADENOSINE 266.0895 5.68 UFLORIDA_MS_RI 60961 C00212 UFLORIDA_FEATURE ADENOSINE 5'-MONOPHOSPHATE 346.0558 1.67 UFLORIDA_MS_RI 6083 C00020 UFLORIDA_FEATURE ADP 426.0206 1.08 UFLORIDA_MS_RI 6022 C00008 UFLORIDA_FEATURE ALDOPENTOSE 149.0451 0.80 UFLORIDA_MS_RI UFLORIDA_FEATURE ALPHA-AMINOADIPATE_R1 160.0617 0.90 UFLORIDA_MS_RI 469 C00956 UFLORIDA_FEATURE ALPHA-AMINOADIPATE_R2 160.0614 1.19 UFLORIDA_MS_RI 469 C00956 UFLORIDA_FEATURE ALPHA-HYDROXYISOBUTYRIC ACID 103.0399 2.27 UFLORIDA_MS_RI 11671 UFLORIDA_FEATURE ALPHA-KETOGLUTARIC ACID 145.0144 1.42 UFLORIDA_MS_RI 51 C00026 UFLORIDA_FEATURE Arachidonic Acid (20:4) 303.2332 16.00 UFLORIDA_MS_RI 444899 C00219 UFLORIDA_FEATURE ASPARTATE 132.0300 0.70 UFLORIDA_MS_RI 5960 C00049 UFLORIDA_FEATURE Background Ion 328.0579 4.02 UFLORIDA_MS_RI UFLORIDA_FEATURE CITRATE 191.0196 1.94 UFLORIDA_MS_RI 311 C00158 UFLORIDA_FEATURE CITRIC ACID-13C6 197.0399 1.94 UFLORIDA_MS_RI 311 C00158 UFLORIDA_FEATURE CMP 322.0443 1.05 UFLORIDA_MS_RI 6131 C00055 UFLORIDA_FEATURE CREATINE 130.0621 0.90 UFLORIDA_MS_RI 586 C00300 UFLORIDA_FEATURE CREATININE 112.0516 0.91 UFLORIDA_MS_RI 588 C00791 UFLORIDA_FEATURE CYTIDINE 242.0784 1.65 UFLORIDA_MS_RI 6175 C00475 UFLORIDA_FEATURE D-GLUCOSAMINE 6-PHOSPHATE 258.0376 0.75 UFLORIDA_MS_RI 440997 C00352 UFLORIDA_FEATURE DIHYDROXYACETONE PHOSPHATE 168.9908 0.71 UFLORIDA_MS_RI 668 C00111 UFLORIDA_FEATURE Docosahexaenoic Acid (22:6) 327.2329 15.76 UFLORIDA_MS_RI 445580 C06429 UFLORIDA_FEATURE D-RIBOSE 5-PHOSPHATE/RIBULOSE 5-PHOSPHATE 229.0122 0.74 UFLORIDA_MS_RI UFLORIDA_FEATURE D-SACCHARIC ACID 209.0304 0.72 UFLORIDA_MS_RI 33037 C00818 UFLORIDA_FEATURE Erythrose 4-Phosphate 199.0012 0.86 UFLORIDA_MS_RI 122357 C00279 UFLORIDA_FEATURE Fumaric Acid 115.0035 2.07 UFLORIDA_MS_RI 444972 C00122 UFLORIDA_FEATURE GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE 195.0511 0.76 UFLORIDA_MS_RI UFLORIDA_FEATURE GLUTATHIONE 306.0754 1.61 UFLORIDA_MS_RI 124886 C00051 UFLORIDA_FEATURE GLYCERALDEHYDE/LACTATE 89.0239 1.22 UFLORIDA_MS_RI UFLORIDA_FEATURE GLYCERIC ACID 105.0191 0.83 UFLORIDA_MS_RI 439194 C00258 UFLORIDA_FEATURE GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE 171.0061 0.72 UFLORIDA_MS_RI UFLORIDA_FEATURE GLYCOLATE 75.0081 0.86 UFLORIDA_MS_RI 757 C00160 UFLORIDA_FEATURE Guanosine 282.0836 6.24 UFLORIDA_MS_RI 6802 C00387 UFLORIDA_FEATURE GUANOSINE 5'-MONOPHOSPHATE 362.0499 1.96 UFLORIDA_MS_RI 6804 C00144 UFLORIDA_FEATURE HEXOSE ALCOHOL 181.0715 0.75 UFLORIDA_MS_RI UFLORIDA_FEATURE HEXOSE-PHOSPHATE 259.0218 0.71 UFLORIDA_MS_RI UFLORIDA_FEATURE HYPOXANTHINE 135.0314 2.05 UFLORIDA_MS_RI 790 C00262 UFLORIDA_FEATURE INOSINE 267.0728 6.12 UFLORIDA_MS_RI 6021 C00294 UFLORIDA_FEATURE INOSINE 5'-MONOPHOSPHATE 347.0408 1.87 UFLORIDA_MS_RI 8582 C00130 UFLORIDA_FEATURE L-2-PHOSPHOGLYCERIC ACID 184.9852 0.74 UFLORIDA_MS_RI 439278 UFLORIDA_FEATURE L-ANSERINE 239.1146 0.75 UFLORIDA_MS_RI 112072 C01262 UFLORIDA_FEATURE L-CYSTEINE 120.0123 0.78 UFLORIDA_MS_RI 594 C00097 UFLORIDA_FEATURE LEUCINE 130.0874 2.50 UFLORIDA_MS_RI 6106 C00123 UFLORIDA_FEATURE L-GLUTAMINE 145.0616 0.72 UFLORIDA_MS_RI 5961 C00064 UFLORIDA_FEATURE LL-2,6-DIAMINOHEPTANEDIOATE 189.0877 0.82 UFLORIDA_MS_RI 439283 UFLORIDA_FEATURE L-METHIONINE 148.0439 1.42 UFLORIDA_MS_RI 6137 C00073 UFLORIDA_FEATURE L-TYROSINE 180.0666 3.39 UFLORIDA_MS_RI 6057 C00082 UFLORIDA_FEATURE L-VALINE 116.0718 1.12 UFLORIDA_MS_RI 6287 C00183 UFLORIDA_FEATURE MALATE 133.0142 1.07 UFLORIDA_MS_RI 222656 C00149 UFLORIDA_FEATURE Mono-(2-Ethylhexyl) Phthalate 277.1435 13.55 UFLORIDA_MS_RI 20393 C03343 UFLORIDA_FEATURE Mono-(2-Ethylhexyl) Phthalate Dimer 540.3310 13.62 UFLORIDA_MS_RI 20393 C03343 UFLORIDA_FEATURE N-ACETYL-DL-GLUTAMIC ACID 188.0560 2.22 UFLORIDA_MS_RI 185 UFLORIDA_FEATURE N-ACETYL-D-MANNOSAMINE 256.0603 0.78 UFLORIDA_MS_RI 439281 UFLORIDA_FEATURE N-ACETYL-HEXOSAMINE 220.0823 0.81 UFLORIDA_MS_RI UFLORIDA_FEATURE N-ACETYL-L-ALANINE 130.0509 2.24 UFLORIDA_MS_RI 88064 UFLORIDA_FEATURE N-ACETYL-L-ASPARTIC ACID 174.0405 1.48 UFLORIDA_MS_RI 65065 C01042 UFLORIDA_FEATURE N-ACETYLNEURAMINATE 308.0991 0.80 UFLORIDA_MS_RI 439197 C00270 UFLORIDA_FEATURE NICOTINAMIDE 121.0409 1.63 UFLORIDA_MS_RI 936 C00153 UFLORIDA_FEATURE N-METHYL-D-ASPARTIC ACID 146.0459 0.75 UFLORIDA_MS_RI 22880 C12269 UFLORIDA_FEATURE PHOSPHOCHOLINE 218.0349 0.73 UFLORIDA_MS_RI 135437 UFLORIDA_FEATURE PHOSPHO(ENOL)PYRUVIC ACID 166.9752 0.87 UFLORIDA_MS_RI 1005 C00074 UFLORIDA_FEATURE Proline 114.0559 0.79 UFLORIDA_MS_RI 145742 C00148 UFLORIDA_FEATURE Salicylic Acid-D4 141.0496 9.95 UFLORIDA_MS_RI 46782907 UFLORIDA_FEATURE SARCOSINE/BETA-ALANINE 88.0399 0.90 UFLORIDA_MS_RI UFLORIDA_FEATURE Succinic-2,2,3,3-D4 Acid 121.0446 2.28 UFLORIDA_MS_RI UFLORIDA_FEATURE SUCCINIC ACID-13C6 121.0327 2.32 UFLORIDA_MS_RI 1110 C00042 UFLORIDA_FEATURE TAURINE 124.0075 0.70 UFLORIDA_MS_RI 1123 C00245 UFLORIDA_FEATURE THREONINE/HOMOSERINE 118.0509 0.73 UFLORIDA_MS_RI UFLORIDA_FEATURE Tryptophan 203.0824 7.64 UFLORIDA_MS_RI 6305 C00078 UFLORIDA_FEATURE Tryptophan-2,3,3-D3 206.1010 7.64 UFLORIDA_MS_RI UFLORIDA_FEATURE URACIL 111.0200 1.42 UFLORIDA_MS_RI 1174 C00106 UFLORIDA_FEATURE URATE 167.0208 1.87 UFLORIDA_MS_RI 1175 C00366 UFLORIDA_FEATURE URIDINE 243.0619 2.87 UFLORIDA_MS_RI 6029 C00299 UFLORIDA_FEATURE XANTHINE 151.0260 2.51 UFLORIDA_MS_RI 1188 C00385 UFLORIDA_FEATURE METABOLITES_END #END