#METABOLOMICS WORKBENCH amitch_20151007_9478821_mwtab.txt DATATRACK_ID:388 STUDY_ID:ST000252 ANALYSIS_ID:AN000398 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 POSITIVE #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 1-AMINOCYCLOPROPANE-1-CARBOXYLATE 99100000.0000 73200000.0000 85100000.0000 96900000.0000 101000000.0000 42700000.0000 71600000.0000 61000000.0000 42500000.0000 34600000.0000 56100000.0000 48100000.0000 48800000.0000 62000000.0000 72100000.0000 108000000.0000 50400000.0000 99500000.0000 85300000.0000 78100000.0000 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2720000.0000 3690000.0000 4010000.0000 982000.0000 2460000.0000 1430000.0000 966000.0000 619000.0000 1380000.0000 762000.0000 1050000.0000 1310000.0000 1760000.0000 5790000.0000 1170000.0000 3320000.0000 2830000.0000 2910000.0000 1040000.0000 2440000.0000 1850000.0000 1360000.0000 1280000.0000 1750000.0000 1360000.0000 1120000.0000 1050000.0000 826000.0000 1900000.0000 1320000.0000 1890000.0000 1970000.0000 3000000.0000 2780000.0000 1970000.0000 1430000.0000 4190000.0000 2590000.0000 3-UREIDOPROPIONATE 4320000.0000 2310000.0000 2890000.0000 3500000.0000 2350000.0000 1310000.0000 1770000.0000 3120000.0000 1680000.0000 1050000.0000 1740000.0000 899000.0000 1770000.0000 2330000.0000 2770000.0000 5050000.0000 2050000.0000 2870000.0000 3020000.0000 2750000.0000 540000.0000 1830000.0000 2150000.0000 1740000.0000 1400000.0000 2610000.0000 1430000.0000 1850000.0000 1280000.0000 940000.0000 1500000.0000 1560000.0000 1570000.0000 1500000.0000 2390000.0000 1880000.0000 1650000.0000 1270000.0000 3740000.0000 2160000.0000 4-GUANIDINOBUTANOATE 51300000.0000 46800000.0000 42100000.0000 62200000.0000 77000000.0000 21700000.0000 34400000.0000 44600000.0000 17800000.0000 11900000.0000 24200000.0000 15900000.0000 22200000.0000 32300000.0000 60600000.0000 69000000.0000 28200000.0000 65000000.0000 44600000.0000 45500000.0000 29900000.0000 27800000.0000 46800000.0000 38100000.0000 26900000.0000 45300000.0000 26500000.0000 23500000.0000 30400000.0000 21200000.0000 37900000.0000 28500000.0000 35100000.0000 31900000.0000 50100000.0000 42900000.0000 33400000.0000 29100000.0000 64200000.0000 38800000.0000 5_6-DIHYDROURACIL 15900000.0000 9170000.0000 8620000.0000 15900000.0000 12400000.0000 7000000.0000 7440000.0000 15100000.0000 7970000.0000 4380000.0000 9840000.0000 6440000.0000 7390000.0000 12000000.0000 13500000.0000 16700000.0000 8030000.0000 14300000.0000 12200000.0000 10100000.0000 9280000.0000 7430000.0000 14000000.0000 11300000.0000 7570000.0000 14900000.0000 10900000.0000 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17000.0000 45600.0000 3720.0000 296000.0000 11300.0000 780.0000 5490.0000 2530.0000 494000.0000 10600.0000 1350000.0000 131000.0000 707000.0000 1080.0000 718.0000 190000.0000 1120.0000 532.0000 69700.0000 92600.0000 540000.0000 1670.0000 520000.0000 89700.0000 147000.0000 231000.0000 3500000.0000 602000.0000 49100.0000 395000.0000 ADENOSINE 5^-MONOPHOSPHATE 1690000.0000 3560000.0000 3420000.0000 4050000.0000 9170000.0000 4660000.0000 3680000.0000 1230000.0000 9510000.0000 7390000.0000 1910000.0000 1320000.0000 2690000.0000 3330000.0000 1700000.0000 1560000.0000 3380000.0000 3320000.0000 1600000.0000 3060000.0000 1500000.0000 9820000.0000 2510000.0000 3700000.0000 3410000.0000 3930000.0000 2160000.0000 1970000.0000 8010000.0000 5590000.0000 3760000.0000 4120000.0000 4420000.0000 10500000.0000 6760000.0000 8970000.0000 8290000.0000 5010000.0000 1580000.0000 9670000.0000 ALANINE/SARCOSINE 201000000.0000 97200000.0000 122000000.0000 153000000.0000 131000000.0000 72200000.0000 98300000.0000 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7180000000.0000 5840000000.0000 4970000000.0000 10100000000.0000 6410000000.0000 CYS-GLY 5880000.0000 4940000.0000 7240000.0000 10300000.0000 6560000.0000 2410000.0000 5360000.0000 254000.0000 153000.0000 77200.0000 2670000.0000 2310000.0000 5980000.0000 4760000.0000 10700000.0000 8720000.0000 3010000.0000 10700000.0000 2630000.0000 5860000.0000 14000000.0000 750000.0000 11100000.0000 7570000.0000 3260000.0000 10400000.0000 1380000.0000 4490000.0000 12500000.0000 3800000.0000 899000.0000 3550000.0000 6590000.0000 1530000.0000 3430000.0000 3730000.0000 3910000.0000 1970000.0000 5190000.0000 6310000.0000 CYTIDINE 98700000.0000 55600000.0000 52000000.0000 84500000.0000 56000000.0000 5610000.0000 29200000.0000 20900000.0000 11300000.0000 6990000.0000 15000000.0000 9070000.0000 13500000.0000 12300000.0000 13900000.0000 75900000.0000 10100000.0000 59000000.0000 73600000.0000 49000000.0000 25300000.0000 56700000.0000 15300000.0000 19200000.0000 16600000.0000 17600000.0000 15800000.0000 13500000.0000 11500000.0000 8750000.0000 57700000.0000 23600000.0000 37100000.0000 40400000.0000 60800000.0000 62500000.0000 45300000.0000 42600000.0000 76400000.0000 37000000.0000 CYTOSINE 4090000.0000 2220000.0000 2550000.0000 3770000.0000 2820000.0000 978000.0000 1640000.0000 1730000.0000 1140000.0000 789000.0000 1330000.0000 867000.0000 1190000.0000 1660000.0000 1870000.0000 3450000.0000 1320000.0000 3540000.0000 2840000.0000 1640000.0000 1740000.0000 1570000.0000 2010000.0000 1690000.0000 1380000.0000 2130000.0000 1330000.0000 1150000.0000 1130000.0000 1020000.0000 980000.0000 1510000.0000 2020000.0000 639000.0000 3290000.0000 2460000.0000 1620000.0000 1310000.0000 4530000.0000 2060000.0000 DEOXYCARNITINE 159000000.0000 107000000.0000 116000000.0000 155000000.0000 140000000.0000 44400000.0000 88100000.0000 68400000.0000 41100000.0000 25300000.0000 61900000.0000 40000000.0000 47400000.0000 59100000.0000 70200000.0000 177000000.0000 43300000.0000 141000000.0000 127000000.0000 109000000.0000 61500000.0000 105000000.0000 94700000.0000 68700000.0000 55600000.0000 81600000.0000 60100000.0000 56400000.0000 48300000.0000 37100000.0000 103000000.0000 60400000.0000 81500000.0000 88700000.0000 139000000.0000 118000000.0000 94900000.0000 76500000.0000 171000000.0000 98000000.0000 DEOXYCYTIDINE 7230000.0000 3640000.0000 3720000.0000 5930000.0000 3430000.0000 417000.0000 1820000.0000 1160000.0000 918000.0000 422000.0000 1270000.0000 498000.0000 966000.0000 1060000.0000 1100000.0000 4950000.0000 751000.0000 3720000.0000 5120000.0000 3270000.0000 1250000.0000 3710000.0000 1700000.0000 1380000.0000 1640000.0000 1800000.0000 1300000.0000 1220000.0000 761000.0000 678000.0000 3560000.0000 1820000.0000 3060000.0000 2520000.0000 4660000.0000 4260000.0000 3850000.0000 2660000.0000 5090000.0000 2770000.0000 ETHYLMALONIC ACID 1650000.0000 1480000.0000 1430000.0000 1700000.0000 1590000.0000 952000.0000 1300000.0000 1360000.0000 828000.0000 839000.0000 1130000.0000 881000.0000 1080000.0000 1320000.0000 1400000.0000 1830000.0000 1160000.0000 1640000.0000 1270000.0000 1470000.0000 1720000.0000 1350000.0000 1430000.0000 1340000.0000 1240000.0000 1500000.0000 1190000.0000 1110000.0000 1230000.0000 1010000.0000 1370000.0000 1280000.0000 1330000.0000 1220000.0000 1550000.0000 1480000.0000 1270000.0000 1120000.0000 1800000.0000 1460000.0000 GUANOSINE 5^-MONOPHOSPHATE 2230000.0000 3990000.0000 2690000.0000 3670000.0000 8370000.0000 4720000.0000 3890000.0000 710000.0000 8820000.0000 6200000.0000 2080000.0000 1260000.0000 2740000.0000 3630000.0000 2250000.0000 2720000.0000 3360000.0000 3950000.0000 1890000.0000 2340000.0000 1480000.0000 4940000.0000 3090000.0000 3510000.0000 3080000.0000 3550000.0000 2710000.0000 2210000.0000 6850000.0000 4870000.0000 4190000.0000 3690000.0000 3630000.0000 7400000.0000 5240000.0000 7290000.0000 6990000.0000 4660000.0000 3770000.0000 8990000.0000 HYPOXANTHINE 2650000000.0000 1420000000.0000 1570000000.0000 2120000000.0000 1420000000.0000 1140000000.0000 1130000000.0000 2010000000.0000 1510000000.0000 772000000.0000 1630000000.0000 966000000.0000 1250000000.0000 1550000000.0000 1760000000.0000 2520000000.0000 1380000000.0000 1520000000.0000 2230000000.0000 1350000000.0000 426000000.0000 1300000000.0000 1690000000.0000 1650000000.0000 1130000000.0000 1730000000.0000 1520000000.0000 1590000000.0000 964000000.0000 751000000.0000 1380000000.0000 1600000000.0000 979000000.0000 1100000000.0000 1610000000.0000 1380000000.0000 1210000000.0000 1190000000.0000 1760000000.0000 1010000000.0000 ISOCITRIC ACID 11300000.0000 2460000.0000 2130000.0000 2750000.0000 2100000.0000 8760000.0000 1960000.0000 8770000.0000 4890000.0000 5020000.0000 8510000.0000 9360000.0000 1150000.0000 1140000.0000 1770000.0000 10400000.0000 974000.0000 2360000.0000 17100000.0000 2080000.0000 2610000.0000 12700000.0000 1340000.0000 1640000.0000 1560000.0000 1780000.0000 13000000.0000 9190000.0000 1800000.0000 13600000.0000 18300000.0000 1420000.0000 2050000.0000 1290000.0000 1960000.0000 1810000.0000 1850000.0000 14000000.0000 2170000.0000 2200000.0000 L-ANSERINE 20500000.0000 16500000.0000 13400000.0000 21500000.0000 24600000.0000 10700000.0000 9730000.0000 32300000.0000 10100000.0000 6610000.0000 13400000.0000 11600000.0000 9290000.0000 12900000.0000 21200000.0000 22900000.0000 9350000.0000 25600000.0000 19900000.0000 13600000.0000 9710000.0000 12700000.0000 19800000.0000 16500000.0000 11200000.0000 18700000.0000 17900000.0000 18300000.0000 9390000.0000 6870000.0000 16700000.0000 13700000.0000 11400000.0000 12800000.0000 18200000.0000 18200000.0000 16200000.0000 18400000.0000 22200000.0000 8940000.0000 L-CARNITINE 442000000.0000 294000000.0000 342000000.0000 457000000.0000 373000000.0000 258000000.0000 242000000.0000 367000000.0000 266000000.0000 201000000.0000 306000000.0000 182000000.0000 341000000.0000 376000000.0000 422000000.0000 462000000.0000 353000000.0000 390000000.0000 338000000.0000 301000000.0000 321000000.0000 319000000.0000 374000000.0000 418000000.0000 279000000.0000 512000000.0000 292000000.0000 290000000.0000 255000000.0000 269000000.0000 328000000.0000 372000000.0000 294000000.0000 306000000.0000 394000000.0000 355000000.0000 289000000.0000 243000000.0000 424000000.0000 297000000.0000 L-CYSTEINE 45200000.0000 60700000.0000 89400000.0000 60900000.0000 23500000.0000 26600000.0000 34600000.0000 13900000.0000 6740000.0000 2980000.0000 34200000.0000 36600000.0000 40700000.0000 40700000.0000 62300000.0000 58000000.0000 23700000.0000 63000000.0000 49300000.0000 49700000.0000 144000000.0000 13000000.0000 59400000.0000 39700000.0000 39200000.0000 49700000.0000 38600000.0000 25800000.0000 42800000.0000 29700000.0000 18600000.0000 25900000.0000 53200000.0000 15100000.0000 28700000.0000 20100000.0000 52100000.0000 32600000.0000 36500000.0000 38800000.0000 LEUCINE 1530000000.0000 833000000.0000 1280000000.0000 1690000000.0000 1440000000.0000 921000000.0000 899000000.0000 2260000000.0000 851000000.0000 621000000.0000 1050000000.0000 678000000.0000 1150000000.0000 1270000000.0000 1770000000.0000 1900000000.0000 1210000000.0000 1550000000.0000 1180000000.0000 1020000000.0000 388000000.0000 717000000.0000 1520000000.0000 1760000000.0000 831000000.0000 1670000000.0000 810000000.0000 844000000.0000 886000000.0000 714000000.0000 693000000.0000 1020000000.0000 842000000.0000 814000000.0000 1180000000.0000 887000000.0000 738000000.0000 568000000.0000 1920000000.0000 985000000.0000 L-GLUTAMINE 901000000.0000 645000000.0000 799000000.0000 905000000.0000 957000000.0000 762000000.0000 719000000.0000 924000000.0000 927000000.0000 663000000.0000 889000000.0000 640000000.0000 740000000.0000 935000000.0000 763000000.0000 928000000.0000 784000000.0000 744000000.0000 821000000.0000 822000000.0000 890000000.0000 856000000.0000 757000000.0000 767000000.0000 769000000.0000 836000000.0000 852000000.0000 653000000.0000 728000000.0000 589000000.0000 833000000.0000 921000000.0000 608000000.0000 727000000.0000 909000000.0000 746000000.0000 743000000.0000 607000000.0000 976000000.0000 720000000.0000 L-Isoleucine 643000000.0000 332000000.0000 519000000.0000 673000000.0000 559000000.0000 361000000.0000 350000000.0000 935000000.0000 337000000.0000 237000000.0000 429000000.0000 270000000.0000 437000000.0000 499000000.0000 683000000.0000 775000000.0000 461000000.0000 593000000.0000 507000000.0000 416000000.0000 152000000.0000 287000000.0000 606000000.0000 693000000.0000 332000000.0000 647000000.0000 331000000.0000 339000000.0000 339000000.0000 265000000.0000 282000000.0000 403000000.0000 335000000.0000 317000000.0000 487000000.0000 354000000.0000 289000000.0000 234000000.0000 748000000.0000 382000000.0000 LL-2_6-DIAMINOHEPTANEDIOATE 12300000.0000 3880000.0000 5580000.0000 10600000.0000 7370000.0000 3840000.0000 6080000.0000 4140000.0000 3360000.0000 2010000.0000 6270000.0000 2280000.0000 3870000.0000 5310000.0000 6840000.0000 9140000.0000 5550000.0000 2620000.0000 6720000.0000 4230000.0000 4410000.0000 4030000.0000 6660000.0000 3850000.0000 4220000.0000 2630000.0000 3030000.0000 3680000.0000 4170000.0000 2430000.0000 4410000.0000 4020000.0000 3730000.0000 3370000.0000 7090000.0000 6440000.0000 3770000.0000 3450000.0000 8310000.0000 4070000.0000 L-Leucine-D10 108000000.0000 119000000.0000 110000000.0000 120000000.0000 130000000.0000 117000000.0000 110000000.0000 102000000.0000 162000000.0000 134000000.0000 110000000.0000 113000000.0000 121000000.0000 123000000.0000 116000000.0000 106000000.0000 116000000.0000 107000000.0000 123000000.0000 124000000.0000 71200000.0000 140000000.0000 138000000.0000 113000000.0000 107000000.0000 116000000.0000 151000000.0000 125000000.0000 136000000.0000 130000000.0000 136000000.0000 119000000.0000 123000000.0000 121000000.0000 132000000.0000 136000000.0000 149000000.0000 124000000.0000 105000000.0000 130000000.0000 L-METHIONINE 457000000.0000 222000000.0000 367000000.0000 468000000.0000 390000000.0000 216000000.0000 242000000.0000 584000000.0000 53300000.0000 9120000.0000 264000000.0000 162000000.0000 298000000.0000 311000000.0000 455000000.0000 550000000.0000 294000000.0000 452000000.0000 355000000.0000 262000000.0000 76600000.0000 127000000.0000 430000000.0000 494000000.0000 195000000.0000 430000000.0000 196000000.0000 226000000.0000 211000000.0000 105000000.0000 139000000.0000 239000000.0000 216000000.0000 200000000.0000 318000000.0000 220000000.0000 192000000.0000 156000000.0000 557000000.0000 238000000.0000 L-PROLINE 533000000.0000 292000000.0000 435000000.0000 530000000.0000 427000000.0000 361000000.0000 306000000.0000 723000000.0000 366000000.0000 234000000.0000 402000000.0000 280000000.0000 413000000.0000 446000000.0000 561000000.0000 597000000.0000 432000000.0000 481000000.0000 476000000.0000 346000000.0000 165000000.0000 261000000.0000 496000000.0000 581000000.0000 301000000.0000 550000000.0000 336000000.0000 346000000.0000 323000000.0000 248000000.0000 276000000.0000 360000000.0000 298000000.0000 289000000.0000 396000000.0000 323000000.0000 285000000.0000 251000000.0000 566000000.0000 320000000.0000 L-TYROSINE 328000000.0000 154000000.0000 255000000.0000 311000000.0000 276000000.0000 145000000.0000 141000000.0000 386000000.0000 158000000.0000 95400000.0000 196000000.0000 107000000.0000 199000000.0000 207000000.0000 307000000.0000 356000000.0000 192000000.0000 265000000.0000 243000000.0000 172000000.0000 62800000.0000 123000000.0000 270000000.0000 304000000.0000 141000000.0000 273000000.0000 144000000.0000 152000000.0000 138000000.0000 101000000.0000 122000000.0000 161000000.0000 147000000.0000 144000000.0000 226000000.0000 146000000.0000 137000000.0000 108000000.0000 350000000.0000 160000000.0000 L-VALINE/5-AMINOPENTANOATE/L-NORVALINE 583000000.0000 346000000.0000 501000000.0000 633000000.0000 566000000.0000 336000000.0000 374000000.0000 778000000.0000 320000000.0000 235000000.0000 377000000.0000 263000000.0000 402000000.0000 464000000.0000 611000000.0000 703000000.0000 453000000.0000 587000000.0000 471000000.0000 434000000.0000 205000000.0000 314000000.0000 539000000.0000 611000000.0000 328000000.0000 609000000.0000 311000000.0000 315000000.0000 326000000.0000 279000000.0000 289000000.0000 374000000.0000 348000000.0000 332000000.0000 474000000.0000 380000000.0000 310000000.0000 238000000.0000 729000000.0000 422000000.0000 LysoPC (16:0) 24300000.0000 1040000.0000 1110000.0000 20200000.0000 95100000.0000 83900.0000 204000.0000 890000.0000 888000.0000 506000.0000 925000.0000 95100.0000 322000.0000 1260000.0000 21200000.0000 28800000.0000 217000.0000 30300000.0000 7710000.0000 732000.0000 236000.0000 11700000.0000 48200000.0000 4620000.0000 254000.0000 25100000.0000 360000.0000 11300000.0000 134000.0000 63200.0000 1260000.0000 34200000.0000 385000.0000 829000.0000 16200000.0000 27900000.0000 453000.0000 430000.0000 754000.0000 777000.0000 LysoPC (16:1) 332000.0000 9260.0000 25600.0000 474000.0000 4560000.0000 21300.0000 10900.0000 21800.0000 30000.0000 17400.0000 11700.0000 10600.0000 8800.0000 16000.0000 530000.0000 1220000.0000 31400.0000 1190000.0000 78100.0000 11400.0000 12600.0000 89300.0000 1320000.0000 140000.0000 20300.0000 747000.0000 12800.0000 419000.0000 51400.0000 11600.0000 11600.0000 787000.0000 26500.0000 23700.0000 641000.0000 654000.0000 12400.0000 11000.0000 10100.0000 14200.0000 LysoPC (18:0) 12900000.0000 159000.0000 141000.0000 3760000.0000 9890000.0000 1070.0000 21800.0000 42700.0000 67800.0000 4900.0000 125000.0000 4220.0000 27800.0000 125000.0000 3540000.0000 4870000.0000 5090.0000 5270000.0000 2380000.0000 48800.0000 16700.0000 1700000.0000 9650000.0000 652000.0000 3520.0000 7310000.0000 5950.0000 2390000.0000 1290.0000 955.0000 133000.0000 9400000.0000 10500.0000 47400.0000 1730000.0000 4490000.0000 41900.0000 10100.0000 10700.0000 41200.0000 LysoPE (18:1) 12200000.0000 1030000.0000 1710000.0000 9270000.0000 19500000.0000 587000.0000 608000.0000 874000.0000 2570000.0000 1540000.0000 2800000.0000 359000.0000 2320000.0000 1870000.0000 23800000.0000 22000000.0000 587000.0000 24100000.0000 12800000.0000 4490000.0000 580000.0000 3360000.0000 51000000.0000 3820000.0000 629000.0000 13100000.0000 976000.0000 5660000.0000 2580000.0000 1550000.0000 4390000.0000 20700000.0000 2490000.0000 731000.0000 4940000.0000 7830000.0000 739000.0000 2600000.0000 6020000.0000 562000.0000 METHYL BETA-D-GALACTOSIDE 1010000.0000 1330000.0000 1050000.0000 2000000.0000 2820000.0000 1790000.0000 964000.0000 1210000.0000 2070000.0000 1860000.0000 1030000.0000 706000.0000 1180000.0000 1630000.0000 1600000.0000 1270000.0000 1190000.0000 1510000.0000 831000.0000 933000.0000 1330000.0000 1590000.0000 1770000.0000 1710000.0000 877000.0000 2300000.0000 1050000.0000 1230000.0000 2130000.0000 1690000.0000 1550000.0000 1840000.0000 1490000.0000 2040000.0000 2050000.0000 2390000.0000 1460000.0000 1130000.0000 2290000.0000 1710000.0000 N-Acetyl-Arginine 5480000.0000 6160000.0000 6810000.0000 6390000.0000 4870000.0000 7320000.0000 3800000.0000 14900000.0000 5350000.0000 3320000.0000 6530000.0000 4970000.0000 6330000.0000 8140000.0000 9640000.0000 8920000.0000 6800000.0000 5870000.0000 5220000.0000 5670000.0000 10300000.0000 3880000.0000 19200000.0000 14100000.0000 10700000.0000 17200000.0000 8230000.0000 8100000.0000 13500000.0000 5150000.0000 4950000.0000 10600000.0000 5880000.0000 4960000.0000 8180000.0000 5630000.0000 4090000.0000 3640000.0000 10600000.0000 5910000.0000 N-ACETYL-DL-GLUTAMIC ACID 8150000.0000 4220000.0000 4490000.0000 7710000.0000 4970000.0000 2530000.0000 3420000.0000 7570000.0000 1970000.0000 1260000.0000 3720000.0000 2390000.0000 2200000.0000 3290000.0000 4320000.0000 8780000.0000 2480000.0000 5990000.0000 4590000.0000 4100000.0000 3700000.0000 4020000.0000 5870000.0000 3530000.0000 2860000.0000 4180000.0000 4100000.0000 3600000.0000 2340000.0000 1600000.0000 4000000.0000 2990000.0000 3670000.0000 2990000.0000 5660000.0000 4680000.0000 3540000.0000 2820000.0000 6500000.0000 3690000.0000 N-ACETYL-L-ALANINE 6640000.0000 3310000.0000 4170000.0000 7220000.0000 3760000.0000 4490000.0000 2500000.0000 9700000.0000 15100000.0000 8490000.0000 5510000.0000 3890000.0000 4260000.0000 5140000.0000 6610000.0000 8920000.0000 3870000.0000 4930000.0000 6310000.0000 2700000.0000 438000.0000 17900000.0000 6100000.0000 7480000.0000 2370000.0000 5850000.0000 4580000.0000 4660000.0000 3320000.0000 2030000.0000 17600000.0000 3830000.0000 1990000.0000 2510000.0000 3910000.0000 3450000.0000 2260000.0000 2870000.0000 6000000.0000 2200000.0000 N-ACETYL-L-ASPARTIC ACID 1570000000.0000 1180000000.0000 1260000000.0000 1460000000.0000 1460000000.0000 506000000.0000 1060000000.0000 761000000.0000 674000000.0000 504000000.0000 714000000.0000 333000000.0000 713000000.0000 790000000.0000 819000000.0000 1620000000.0000 860000000.0000 1310000000.0000 1260000000.0000 1230000000.0000 628000000.0000 1140000000.0000 1180000000.0000 839000000.0000 837000000.0000 1080000000.0000 718000000.0000 869000000.0000 749000000.0000 616000000.0000 1020000000.0000 978000000.0000 933000000.0000 925000000.0000 1370000000.0000 1190000000.0000 1020000000.0000 840000000.0000 1550000000.0000 1130000000.0000 N-ACETYL-L-CYSTEINE 68700.0000 31200.0000 62200.0000 55700.0000 22900.0000 33900.0000 22700.0000 16200.0000 5180.0000 2780.0000 11400.0000 42700.0000 10100.0000 54600.0000 101000.0000 85700.0000 28300.0000 84500.0000 107000.0000 34500.0000 564000.0000 19700.0000 74200.0000 49800.0000 34300.0000 42100.0000 21200.0000 10300.0000 6280.0000 7820.0000 57800.0000 62100.0000 46700.0000 7240.0000 40700.0000 29700.0000 24400.0000 24700.0000 63100.0000 16000.0000 N-ACETYLNEURAMINATE 19100000.0000 16800000.0000 18500000.0000 25000000.0000 21700000.0000 18600000.0000 14700000.0000 22000000.0000 19500000.0000 16500000.0000 17600000.0000 14400000.0000 17600000.0000 21300000.0000 23200000.0000 23300000.0000 21000000.0000 19600000.0000 20000000.0000 15400000.0000 15600000.0000 16500000.0000 21300000.0000 21300000.0000 16900000.0000 22800000.0000 16100000.0000 17100000.0000 20100000.0000 13300000.0000 18800000.0000 18000000.0000 15300000.0000 15500000.0000 22000000.0000 19200000.0000 16400000.0000 15800000.0000 25600000.0000 16600000.0000 N-ALPHA-ACETYL-L-LYSINE_R1 3830000.0000 2350000.0000 2510000.0000 5240000.0000 7590000.0000 2410000.0000 2660000.0000 7810000.0000 1720000.0000 909000.0000 2060000.0000 1040000.0000 1560000.0000 3090000.0000 6900000.0000 7380000.0000 2830000.0000 7120000.0000 2530000.0000 2360000.0000 3150000.0000 2320000.0000 6080000.0000 3350000.0000 1740000.0000 4030000.0000 3030000.0000 3800000.0000 2220000.0000 1660000.0000 3640000.0000 2870000.0000 3340000.0000 2220000.0000 2860000.0000 2820000.0000 2770000.0000 2710000.0000 6530000.0000 2950000.0000 N-ALPHA-ACETYL-L-LYSINE_R2 1570000.0000 2350000.0000 734000.0000 1260000.0000 939000.0000 522000.0000 512000.0000 1640000.0000 1710000.0000 909000.0000 860000.0000 1040000.0000 578000.0000 699000.0000 1120000.0000 1510000.0000 695000.0000 1030000.0000 920000.0000 705000.0000 862000.0000 2320000.0000 1420000.0000 1190000.0000 662000.0000 1280000.0000 643000.0000 825000.0000 501000.0000 1660000.0000 1050000.0000 1090000.0000 716000.0000 2210000.0000 1070000.0000 938000.0000 603000.0000 674000.0000 1300000.0000 2960000.0000 NICOTINAMIDE 1140000000.0000 648000000.0000 744000000.0000 1040000000.0000 880000000.0000 424000000.0000 567000000.0000 887000000.0000 489000000.0000 302000000.0000 616000000.0000 379000000.0000 516000000.0000 708000000.0000 868000000.0000 1250000000.0000 589000000.0000 890000000.0000 811000000.0000 713000000.0000 569000000.0000 578000000.0000 855000000.0000 765000000.0000 542000000.0000 864000000.0000 615000000.0000 600000000.0000 493000000.0000 364000000.0000 602000000.0000 640000000.0000 505000000.0000 512000000.0000 797000000.0000 660000000.0000 532000000.0000 441000000.0000 1090000000.0000 602000000.0000 N-METHYL-D-ASPARTIC ACID 3110000000.0000 2390000000.0000 2560000000.0000 3040000000.0000 2980000000.0000 1090000000.0000 2160000000.0000 1400000000.0000 1020000000.0000 939000000.0000 1600000000.0000 1410000000.0000 1270000000.0000 1690000000.0000 2050000000.0000 3440000000.0000 1330000000.0000 2990000000.0000 2500000000.0000 2340000000.0000 2260000000.0000 2090000000.0000 1750000000.0000 1710000000.0000 1770000000.0000 1950000000.0000 1660000000.0000 1360000000.0000 1510000000.0000 998000000.0000 1920000000.0000 1310000000.0000 2170000000.0000 1950000000.0000 2420000000.0000 2210000000.0000 2040000000.0000 1800000000.0000 2880000000.0000 2390000000.0000 O-PHOSPHOSERINE 1510000.0000 1480000.0000 1240000.0000 2180000.0000 988000.0000 950000.0000 708000.0000 1560000.0000 1110000.0000 667000.0000 1390000.0000 1440000.0000 525000.0000 880000.0000 1700000.0000 1510000.0000 1150000.0000 1140000.0000 1600000.0000 1920000.0000 1910000.0000 1250000.0000 668000.0000 1490000.0000 1590000.0000 1650000.0000 1140000.0000 1140000.0000 1260000.0000 785000.0000 1490000.0000 1190000.0000 296000.0000 1670000.0000 1950000.0000 1590000.0000 1710000.0000 936000.0000 1710000.0000 615000.0000 O-SUCCINYL-L-HOMOSERINE 1580000.0000 628000.0000 873000.0000 1610000.0000 1290000.0000 634000.0000 676000.0000 957000.0000 373000.0000 570000.0000 465000.0000 419000.0000 685000.0000 1010000.0000 1310000.0000 2050000.0000 860000.0000 1130000.0000 490000.0000 998000.0000 1070000.0000 732000.0000 923000.0000 926000.0000 607000.0000 1130000.0000 354000.0000 77200.0000 879000.0000 517000.0000 490000.0000 700000.0000 653000.0000 361000.0000 999000.0000 649000.0000 512000.0000 284000.0000 1890000.0000 797000.0000 Pantothenic Acid 31800000.0000 14700000.0000 17900000.0000 25500000.0000 23600000.0000 14800000.0000 12700000.0000 32000000.0000 14900000.0000 12500000.0000 23800000.0000 10800000.0000 18300000.0000 26600000.0000 31600000.0000 33400000.0000 23200000.0000 23300000.0000 16000000.0000 19000000.0000 26000000.0000 17300000.0000 26700000.0000 30000000.0000 24100000.0000 41100000.0000 22800000.0000 31200000.0000 21300000.0000 13300000.0000 17000000.0000 33900000.0000 13800000.0000 16000000.0000 23200000.0000 18300000.0000 12100000.0000 15600000.0000 33900000.0000 15600000.0000 Phenylalanine 749000000.0000 351000000.0000 545000000.0000 781000000.0000 567000000.0000 419000000.0000 344000000.0000 1260000000.0000 355000000.0000 242000000.0000 500000000.0000 311000000.0000 487000000.0000 539000000.0000 722000000.0000 897000000.0000 491000000.0000 654000000.0000 553000000.0000 389000000.0000 123000000.0000 287000000.0000 701000000.0000 812000000.0000 324000000.0000 730000000.0000 371000000.0000 389000000.0000 361000000.0000 241000000.0000 308000000.0000 416000000.0000 335000000.0000 318000000.0000 489000000.0000 377000000.0000 291000000.0000 249000000.0000 818000000.0000 350000000.0000 Phenylalanine-HCOOH 139000000.0000 63700000.0000 99200000.0000 146000000.0000 103000000.0000 75900000.0000 62800000.0000 232000000.0000 65900000.0000 43700000.0000 93400000.0000 56900000.0000 89900000.0000 99700000.0000 133000000.0000 164000000.0000 89100000.0000 122000000.0000 103000000.0000 72400000.0000 21700000.0000 51800000.0000 131000000.0000 148000000.0000 58600000.0000 137000000.0000 68400000.0000 71400000.0000 66400000.0000 44000000.0000 56200000.0000 77400000.0000 60700000.0000 57200000.0000 89200000.0000 68900000.0000 53300000.0000 45900000.0000 152000000.0000 63800000.0000 PHOSPHOCHOLINE 1100000000.0000 787000000.0000 733000000.0000 885000000.0000 685000000.0000 347000000.0000 596000000.0000 371000000.0000 341000000.0000 253000000.0000 536000000.0000 271000000.0000 512000000.0000 509000000.0000 513000000.0000 1070000000.0000 499000000.0000 707000000.0000 817000000.0000 667000000.0000 341000000.0000 591000000.0000 477000000.0000 457000000.0000 448000000.0000 517000000.0000 455000000.0000 453000000.0000 343000000.0000 371000000.0000 649000000.0000 523000000.0000 557000000.0000 452000000.0000 691000000.0000 550000000.0000 685000000.0000 468000000.0000 821000000.0000 660000000.0000 PIPECOLATE/L-PIPECOLIC ACID 8500000.0000 4430000.0000 5500000.0000 8120000.0000 7380000.0000 4100000.0000 3710000.0000 9720000.0000 5310000.0000 3420000.0000 4870000.0000 2440000.0000 4890000.0000 6210000.0000 9720000.0000 9160000.0000 6450000.0000 7940000.0000 5230000.0000 6050000.0000 6560000.0000 4290000.0000 7710000.0000 9540000.0000 5380000.0000 12900000.0000 4570000.0000 6130000.0000 4910000.0000 3790000.0000 4670000.0000 5880000.0000 4590000.0000 5630000.0000 7370000.0000 6120000.0000 4330000.0000 3950000.0000 8640000.0000 4480000.0000 PYRIDOXAL 19100000.0000 12300000.0000 10000000.0000 11800000.0000 13500000.0000 7570000.0000 8240000.0000 13900000.0000 11000000.0000 6050000.0000 11100000.0000 4050000.0000 9290000.0000 14500000.0000 13700000.0000 18400000.0000 12800000.0000 11100000.0000 14600000.0000 11000000.0000 4840000.0000 9160000.0000 10300000.0000 12100000.0000 7920000.0000 13000000.0000 10500000.0000 11100000.0000 6740000.0000 6000000.0000 9620000.0000 11500000.0000 8050000.0000 10200000.0000 12700000.0000 11900000.0000 8480000.0000 8100000.0000 15000000.0000 8730000.0000 PYRIDOXAL 5^-PHOSPHATE 674000.0000 410000.0000 362000.0000 525000.0000 584000.0000 465000.0000 395000.0000 1100000.0000 514000.0000 243000.0000 523000.0000 304000.0000 397000.0000 559000.0000 435000.0000 653000.0000 529000.0000 447000.0000 628000.0000 404000.0000 490000.0000 1090000.0000 667000.0000 548000.0000 435000.0000 532000.0000 636000.0000 780000.0000 352000.0000 407000.0000 766000.0000 706000.0000 420000.0000 669000.0000 651000.0000 664000.0000 512000.0000 584000.0000 574000.0000 398000.0000 (R)-MALATE 38500000.0000 24100000.0000 27100000.0000 33200000.0000 29500000.0000 14300000.0000 21300000.0000 30200000.0000 16200000.0000 9590000.0000 19600000.0000 15800000.0000 15700000.0000 20100000.0000 27000000.0000 36700000.0000 17300000.0000 34300000.0000 27200000.0000 24800000.0000 18200000.0000 19700000.0000 24000000.0000 23000000.0000 16900000.0000 25300000.0000 18900000.0000 15300000.0000 13800000.0000 12800000.0000 18500000.0000 19500000.0000 21500000.0000 17900000.0000 25000000.0000 21300000.0000 20000000.0000 14600000.0000 35800000.0000 20900000.0000 S-(5^-ADENOSYL)-L-HOMOCYSTEINE 2500000.0000 1470000.0000 1690000.0000 2610000.0000 1790000.0000 704000.0000 1190000.0000 1790000.0000 420000.0000 142000.0000 1030000.0000 324000.0000 992000.0000 1370000.0000 1750000.0000 3060000.0000 1040000.0000 2010000.0000 1630000.0000 1520000.0000 1240000.0000 1160000.0000 699000.0000 1410000.0000 1150000.0000 1790000.0000 1210000.0000 983000.0000 949000.0000 647000.0000 1180000.0000 1180000.0000 1120000.0000 972000.0000 1660000.0000 1240000.0000 1120000.0000 893000.0000 2710000.0000 1420000.0000 TAURINE 107000000.0000 131000000.0000 115000000.0000 119000000.0000 122000000.0000 58200000.0000 118000000.0000 45500000.0000 51000000.0000 51800000.0000 61300000.0000 63800000.0000 57900000.0000 52000000.0000 56300000.0000 111000000.0000 51100000.0000 131000000.0000 125000000.0000 118000000.0000 64700000.0000 138000000.0000 67000000.0000 56600000.0000 79300000.0000 58300000.0000 59100000.0000 56800000.0000 57600000.0000 61200000.0000 149000000.0000 65800000.0000 121000000.0000 123000000.0000 127000000.0000 131000000.0000 130000000.0000 124000000.0000 103000000.0000 127000000.0000 THREONINE/HOMOSERINE 154000000.0000 87800000.0000 126000000.0000 126000000.0000 115000000.0000 97000000.0000 95100000.0000 187000000.0000 103000000.0000 61400000.0000 115000000.0000 83600000.0000 101000000.0000 107000000.0000 113000000.0000 157000000.0000 101000000.0000 129000000.0000 140000000.0000 99700000.0000 73300000.0000 80800000.0000 121000000.0000 130000000.0000 83800000.0000 112000000.0000 107000000.0000 95500000.0000 73700000.0000 63900000.0000 93700000.0000 91900000.0000 80100000.0000 80900000.0000 108000000.0000 79000000.0000 92200000.0000 81500000.0000 141000000.0000 84400000.0000 THYMINE 512000.0000 266000.0000 238000.0000 376000.0000 199000.0000 291000.0000 189000.0000 686000.0000 624000.0000 244000.0000 595000.0000 400000.0000 356000.0000 414000.0000 520000.0000 520000.0000 446000.0000 142000.0000 420000.0000 209000.0000 30000.0000 231000.0000 389000.0000 507000.0000 265000.0000 482000.0000 431000.0000 491000.0000 137000.0000 167000.0000 313000.0000 474000.0000 87000.0000 107000.0000 144000.0000 188000.0000 217000.0000 193000.0000 285000.0000 99700.0000 TRANS-CINNAMATE 325000.0000 465000.0000 368000.0000 358000.0000 377000.0000 380000.0000 364000.0000 419000.0000 435000.0000 406000.0000 378000.0000 385000.0000 384000.0000 362000.0000 405000.0000 309000.0000 352000.0000 419000.0000 452000.0000 372000.0000 361000.0000 356000.0000 375000.0000 365000.0000 445000.0000 365000.0000 408000.0000 412000.0000 381000.0000 412000.0000 407000.0000 417000.0000 364000.0000 378000.0000 398000.0000 377000.0000 408000.0000 400000.0000 386000.0000 407000.0000 Tryptophan 135000000.0000 56400000.0000 82900000.0000 121000000.0000 79500000.0000 64200000.0000 50300000.0000 171000000.0000 45800000.0000 34600000.0000 84500000.0000 44500000.0000 71100000.0000 86500000.0000 102000000.0000 129000000.0000 69200000.0000 89200000.0000 94300000.0000 60300000.0000 23800000.0000 45600000.0000 104000000.0000 120000000.0000 47500000.0000 110000000.0000 63300000.0000 65900000.0000 54100000.0000 37700000.0000 56100000.0000 63000000.0000 54900000.0000 51700000.0000 75100000.0000 61400000.0000 49000000.0000 46300000.0000 118000000.0000 50200000.0000 Tryptophan-2_3_3-D3 281000000.0000 304000000.0000 287000000.0000 317000000.0000 334000000.0000 302000000.0000 280000000.0000 265000000.0000 313000000.0000 331000000.0000 293000000.0000 295000000.0000 301000000.0000 315000000.0000 304000000.0000 273000000.0000 310000000.0000 274000000.0000 312000000.0000 319000000.0000 172000000.0000 353000000.0000 335000000.0000 293000000.0000 271000000.0000 313000000.0000 372000000.0000 301000000.0000 350000000.0000 318000000.0000 340000000.0000 299000000.0000 316000000.0000 309000000.0000 344000000.0000 343000000.0000 372000000.0000 309000000.0000 282000000.0000 338000000.0000 Tryptophan-2_3_3-D3-NH3 90300000.0000 96400000.0000 92100000.0000 103000000.0000 107000000.0000 97400000.0000 90200000.0000 84400000.0000 103000000.0000 106000000.0000 94800000.0000 94200000.0000 99100000.0000 104000000.0000 98900000.0000 87600000.0000 97900000.0000 89200000.0000 101000000.0000 105000000.0000 54400000.0000 112000000.0000 110000000.0000 93500000.0000 86300000.0000 102000000.0000 121000000.0000 98800000.0000 115000000.0000 102000000.0000 111000000.0000 97700000.0000 101000000.0000 96800000.0000 107000000.0000 110000000.0000 122000000.0000 101000000.0000 91200000.0000 109000000.0000 Tryptophan-NH3 45400000.0000 18800000.0000 27800000.0000 40500000.0000 27300000.0000 21600000.0000 16900000.0000 57300000.0000 15400000.0000 11600000.0000 28400000.0000 14900000.0000 24000000.0000 29100000.0000 35000000.0000 43300000.0000 23100000.0000 30500000.0000 32000000.0000 20400000.0000 8060000.0000 15300000.0000 35100000.0000 40800000.0000 15900000.0000 36800000.0000 21400000.0000 22100000.0000 17900000.0000 12600000.0000 18700000.0000 21000000.0000 18800000.0000 17700000.0000 25100000.0000 20800000.0000 16600000.0000 15700000.0000 39200000.0000 17000000.0000 URACIL 158000000.0000 74600000.0000 80800000.0000 117000000.0000 78300000.0000 66200000.0000 52000000.0000 141000000.0000 98200000.0000 38500000.0000 102000000.0000 64500000.0000 70400000.0000 91800000.0000 106000000.0000 145000000.0000 84300000.0000 89000000.0000 137000000.0000 68600000.0000 10100000.0000 82800000.0000 103000000.0000 100000000.0000 59800000.0000 94100000.0000 93400000.0000 108000000.0000 44200000.0000 33000000.0000 81300000.0000 89400000.0000 41800000.0000 54700000.0000 85700000.0000 79300000.0000 73600000.0000 71200000.0000 95700000.0000 44000000.0000 URATE 4620000.0000 2310000.0000 2100000.0000 3460000.0000 2570000.0000 2360000.0000 1980000.0000 4080000.0000 3490000.0000 1420000.0000 3620000.0000 2220000.0000 2280000.0000 2880000.0000 4020000.0000 4400000.0000 3350000.0000 2780000.0000 3240000.0000 2390000.0000 1340000.0000 2040000.0000 2880000.0000 3030000.0000 2050000.0000 2460000.0000 2370000.0000 1900000.0000 2030000.0000 1490000.0000 1950000.0000 2450000.0000 2110000.0000 1880000.0000 2540000.0000 2400000.0000 1940000.0000 1380000.0000 3490000.0000 2110000.0000 URIDINE 30200000.0000 22800000.0000 28000000.0000 38300000.0000 33500000.0000 8730000.0000 21700000.0000 17500000.0000 5330000.0000 5760000.0000 11100000.0000 5810000.0000 11900000.0000 18700000.0000 26000000.0000 51200000.0000 13700000.0000 32700000.0000 17100000.0000 28700000.0000 21700000.0000 19300000.0000 22000000.0000 20500000.0000 16700000.0000 30300000.0000 13500000.0000 9790000.0000 15400000.0000 11000000.0000 17200000.0000 20100000.0000 20600000.0000 15900000.0000 30900000.0000 23900000.0000 13700000.0000 9510000.0000 45700000.0000 25700000.0000 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 1-AMINOCYCLOPROPANE-1-CARBOXYLATE 102.0555 0.76 UFLORIDA_MS_RI 535 C01234 UFLORIDA_FEATURE 2-AMINO-2-METHYLPROPANOATE 104.0714 0.79 UFLORIDA_MS_RI 6119 C03665 UFLORIDA_FEATURE 3-HYDROXY-3-METHYLGLUTARATE 185.0424 3.02 UFLORIDA_MS_RI 1662 C03761 UFLORIDA_FEATURE 3-UREIDOPROPIONATE 133.0600 1.27 UFLORIDA_MS_RI 111 C02642 UFLORIDA_FEATURE 4-GUANIDINOBUTANOATE 146.0927 1.61 UFLORIDA_MS_RI 500 C01035 UFLORIDA_FEATURE 5,6-DIHYDROURACIL 115.0506 1.36 UFLORIDA_MS_RI 649 C00429 UFLORIDA_FEATURE 5-AMINOLEVULINIC ACID 132.0662 0.86 UFLORIDA_MS_RI 137 C00430 UFLORIDA_FEATURE 5-OXO-L-PROLINE 130.0504 1.85 UFLORIDA_MS_RI 7405 C01879 UFLORIDA_FEATURE ADENINE 136.0620 1.50 UFLORIDA_MS_RI 190 C00147 UFLORIDA_FEATURE ADENOSINE 290.0862 5.67 UFLORIDA_MS_RI 60961 C00212 UFLORIDA_FEATURE ADENOSINE 5'-MONOPHOSPHATE 348.0697 1.67 UFLORIDA_MS_RI 6083 C00020 UFLORIDA_FEATURE ALANINE/SARCOSINE 90.0555 0.72 UFLORIDA_MS_RI UFLORIDA_FEATURE ALDOPENTOSE 173.0425 0.89 UFLORIDA_MS_RI UFLORIDA_FEATURE ASPARTATE 134.0452 0.70 UFLORIDA_MS_RI 5960 C00049 UFLORIDA_FEATURE BETAINE 118.0866 0.87 UFLORIDA_MS_RI 247 C00719 UFLORIDA_FEATURE Caffeine-D3 198.1061 7.88 UFLORIDA_MS_RI 13001298 UFLORIDA_FEATURE CITRATE 215.0161 1.94 UFLORIDA_MS_RI 311 C00158 UFLORIDA_FEATURE CITRULLINE 176.1031 0.77 UFLORIDA_MS_RI 9750 C00327 UFLORIDA_FEATURE CMP 324.0601 1.06 UFLORIDA_MS_RI 6131 C00055 UFLORIDA_FEATURE CREATINE 132.0770 0.90 UFLORIDA_MS_RI 586 C00300 UFLORIDA_FEATURE CYS-GLY 179.0490 0.92 UFLORIDA_MS_RI 439498 UFLORIDA_FEATURE CYTIDINE 244.0922 1.64 UFLORIDA_MS_RI 6175 C00475 UFLORIDA_FEATURE CYTOSINE 112.0511 1.05 UFLORIDA_MS_RI 597 C00380 UFLORIDA_FEATURE DEOXYCARNITINE 146.1181 1.28 UFLORIDA_MS_RI 725 C05543 UFLORIDA_FEATURE DEOXYCYTIDINE 228.0981 2.24 UFLORIDA_MS_RI 13711 C00881 UFLORIDA_FEATURE ETHYLMALONIC ACID 133.0499 6.11 UFLORIDA_MS_RI 11756 UFLORIDA_FEATURE GUANOSINE 5'-MONOPHOSPHATE 364.0653 1.96 UFLORIDA_MS_RI 6804 C00144 UFLORIDA_FEATURE HYPOXANTHINE 137.0461 2.05 UFLORIDA_MS_RI 790 C00262 UFLORIDA_FEATURE ISOCITRIC ACID 215.0161 1.12 UFLORIDA_MS_RI 1198 C00311 UFLORIDA_FEATURE L-ANSERINE 241.1295 0.75 UFLORIDA_MS_RI 112072 C01262 UFLORIDA_FEATURE L-CARNITINE 162.1125 0.94 UFLORIDA_MS_RI 288 UFLORIDA_FEATURE L-CYSTEINE 122.0275 0.76 UFLORIDA_MS_RI 594 C00097 UFLORIDA_FEATURE LEUCINE 132.1022 2.48 UFLORIDA_MS_RI 6106 C00123 UFLORIDA_FEATURE L-GLUTAMINE 147.0768 0.72 UFLORIDA_MS_RI 5961 C00064 UFLORIDA_FEATURE L-Isoleucine 132.1022 2.19 UFLORIDA_MS_RI 6306 C00407 UFLORIDA_FEATURE LL-2,6-DIAMINOHEPTANEDIOATE 191.1024 0.84 UFLORIDA_MS_RI 439283 UFLORIDA_FEATURE L-Leucine-D10 142.1652 2.44 UFLORIDA_MS_RI 16213587 UFLORIDA_FEATURE L-METHIONINE 150.0586 1.42 UFLORIDA_MS_RI 6137 C00073 UFLORIDA_FEATURE L-PROLINE 116.0710 0.85 UFLORIDA_MS_RI 145742 C00148 UFLORIDA_FEATURE L-TYROSINE 182.0810 3.39 UFLORIDA_MS_RI 6057 C00082 UFLORIDA_FEATURE L-VALINE/5-AMINOPENTANOATE/L-NORVALINE 118.0866 1.11 UFLORIDA_MS_RI UFLORIDA_FEATURE LysoPC (16:0) 496.3421 13.61 UFLORIDA_MS_RI 460602 C04230 UFLORIDA_FEATURE LysoPC (16:1) 494.3233 12.70 UFLORIDA_MS_RI UFLORIDA_FEATURE LysoPC (18:0) 524.3731 14.75 UFLORIDA_MS_RI UFLORIDA_FEATURE LysoPE (18:1) 480.3108 13.46 UFLORIDA_MS_RI 9547071 UFLORIDA_FEATURE METHYL BETA-D-GALACTOSIDE 217.0687 1.05 UFLORIDA_MS_RI 94214 C03619 UFLORIDA_FEATURE N-Acetyl-Arginine 217.1295 1.61 UFLORIDA_MS_RI 67427 UFLORIDA_FEATURE N-ACETYL-DL-GLUTAMIC ACID 190.0712 2.23 UFLORIDA_MS_RI 185 UFLORIDA_FEATURE N-ACETYL-L-ALANINE 154.0476 2.28 UFLORIDA_MS_RI 88064 UFLORIDA_FEATURE N-ACETYL-L-ASPARTIC ACID 176.0555 1.48 UFLORIDA_MS_RI 65065 C01042 UFLORIDA_FEATURE N-ACETYL-L-CYSTEINE 186.0192 3.17 UFLORIDA_MS_RI 12035 C06809 UFLORIDA_FEATURE N-ACETYLNEURAMINATE 310.1129 0.82 UFLORIDA_MS_RI 439197 C00270 UFLORIDA_FEATURE N-ALPHA-ACETYL-L-LYSINE_R1 189.1234 1.06 UFLORIDA_MS_RI 92907 C12989 UFLORIDA_FEATURE N-ALPHA-ACETYL-L-LYSINE_R2 189.1233 1.28 UFLORIDA_MS_RI 92907 C12989 UFLORIDA_FEATURE NICOTINAMIDE 123.0556 1.62 UFLORIDA_MS_RI 936 C00153 UFLORIDA_FEATURE N-METHYL-D-ASPARTIC ACID 148.0605 0.76 UFLORIDA_MS_RI 22880 C12269 UFLORIDA_FEATURE O-PHOSPHOSERINE 186.0168 0.76 UFLORIDA_MS_RI 68841 C01005 UFLORIDA_FEATURE O-SUCCINYL-L-HOMOSERINE 220.0815 2.03 UFLORIDA_MS_RI 439406 C01118 UFLORIDA_FEATURE Pantothenic Acid 220.1179 6.62 UFLORIDA_MS_RI 988 C00864 UFLORIDA_FEATURE Phenylalanine 166.0862 6.19 UFLORIDA_MS_RI 6140 C00079 UFLORIDA_FEATURE Phenylalanine-HCOOH 120.0813 6.19 UFLORIDA_MS_RI UFLORIDA_FEATURE PHOSPHOCHOLINE 184.0732 0.72 UFLORIDA_MS_RI 135437 UFLORIDA_FEATURE PIPECOLATE/L-PIPECOLIC ACID 130.0864 1.24 UFLORIDA_MS_RI 439227 C00408 UFLORIDA_FEATURE PYRIDOXAL 168.0657 1.90 UFLORIDA_MS_RI 1050 C00250 UFLORIDA_FEATURE PYRIDOXAL 5'-PHOSPHATE 248.0313 1.78 UFLORIDA_MS_RI 1051 C00018 UFLORIDA_FEATURE (R)-MALATE 157.0108 1.07 UFLORIDA_MS_RI 92824 C00497 UFLORIDA_FEATURE S-(5'-ADENOSYL)-L-HOMOCYSTEINE 385.1292 4.80 UFLORIDA_MS_RI 439155 C00021 UFLORIDA_FEATURE TAURINE 126.0221 0.70 UFLORIDA_MS_RI 1123 C00245 UFLORIDA_FEATURE THREONINE/HOMOSERINE 120.0658 0.73 UFLORIDA_MS_RI UFLORIDA_FEATURE THYMINE 127.0507 3.30 UFLORIDA_MS_RI 1135 C00178 UFLORIDA_FEATURE TRANS-CINNAMATE 149.0601 9.77 UFLORIDA_MS_RI 444539 C00423 UFLORIDA_FEATURE Tryptophan 205.0976 7.63 UFLORIDA_MS_RI 6305 C00078 UFLORIDA_FEATURE Tryptophan-2,3,3-D3 208.1156 7.63 UFLORIDA_MS_RI UFLORIDA_FEATURE Tryptophan-2,3,3-D3-NH3 191.0897 7.63 UFLORIDA_MS_RI UFLORIDA_FEATURE Tryptophan-NH3 188.0705 7.63 UFLORIDA_MS_RI 6305 C00078 UFLORIDA_FEATURE URACIL 113.0350 1.42 UFLORIDA_MS_RI 1174 C00106 UFLORIDA_FEATURE URATE 169.0361 1.87 UFLORIDA_MS_RI 1175 C00366 UFLORIDA_FEATURE URIDINE 267.0581 2.87 UFLORIDA_MS_RI 6029 C00299 UFLORIDA_FEATURE METABOLITES_END #END