#METABOLOMICS WORKBENCH amitch_20150903_9891431_mwtab.txt DATATRACK_ID:356 STUDY_ID:ST000239 ANALYSIS_ID:AN000370 PROJECT_ID:PR000192 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Sexual antagonism in exuded non-volatile metabolites in C. purpureus PR:PROJECT_SUMMARY To study the mechanisms responsible for the evolution of sexual dimorphism by PR:PROJECT_SUMMARY sex differences in metabolite production. The PIs recently demonstrated that PR:PROJECT_SUMMARY mosses produce large numbers of volatile organic compounds (VOCs) that PR:PROJECT_SUMMARY attract microarthropods, and that the presence of these insects increases PR:PROJECT_SUMMARY rates (ie, a previously unknown fertilization syndrome). Male mosses produce PR:PROJECT_SUMMARY fewer VOCs, suggesting that VOC production may be costly. Collectively, these PR:PROJECT_SUMMARY suggest that alleles controlling VOC production may experience ongoing sexual PR:PROJECT_SUMMARY Here the PIs propose to generate pilot data to rigorously establish a link PR:PROJECT_SUMMARY dimorphisms in metabolite profile and its underlying genetic bases in the moss PR:PROJECT_SUMMARY purpureus and related species. PR:INSTITUTE UF and PSU PR:DEPARTMENT Biology PR:LAST_NAME McDaniel PR:FIRST_NAME Stuart PR:ADDRESS - PR:EMAIL stuartmcdaniel@ufl.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 Sexual antagonism in exuded non-volatile metabolites in C. purpureus ST:STUDY_TYPE male - female ST:STUDY_SUMMARY The experimental approach seeks to test for sexual dimorphism in exuded ST:STUDY_SUMMARY metabolites in C. purpureus. The proposed research is creative and original ST:STUDY_SUMMARY in its inter-disciplinary approach and its use of a biochemically tractable ST:STUDY_SUMMARY to develop a much-needed link between natural selection for sexual dimorphism ST:STUDY_SUMMARY the molecular targets of that selection pressure. ST:INSTITUTE University of Florida ST:DEPARTMENT SECIM ST:LAST_NAME McDaniel ST:FIRST_NAME Stuart ST:ADDRESS - ST:EMAIL stuartmcdaniel@ufl.edu ST:PHONE - ST:TOTAL_SUBJECTS 20 #SUBJECT SU:SUBJECT_TYPE moss protonema SU:SUBJECT_SPECIES Ceratodon purpureus SU:TAXONOMY_ID 3225 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - B150f Gender:Female SUBJECT_SAMPLE_FACTORS - E270f Gender:Female SUBJECT_SAMPLE_FACTORS - F140f Gender:Female SUBJECT_SAMPLE_FACTORS - G150f Gender:Female SUBJECT_SAMPLE_FACTORS - H140f Gender:Female SUBJECT_SAMPLE_FACTORS - I180f Gender:Female SUBJECT_SAMPLE_FACTORS - L100f Gender:Female SUBJECT_SAMPLE_FACTORS - M280f Gender:Female SUBJECT_SAMPLE_FACTORS - N170f Gender:Female SUBJECT_SAMPLE_FACTORS - O120f Gender:Female SUBJECT_SAMPLE_FACTORS - B190m Gender:Male SUBJECT_SAMPLE_FACTORS - E280m Gender:Male SUBJECT_SAMPLE_FACTORS - F110m Gender:Male SUBJECT_SAMPLE_FACTORS - G100m Gender:Male SUBJECT_SAMPLE_FACTORS - H150m Gender:Male SUBJECT_SAMPLE_FACTORS - I190m Gender:Male SUBJECT_SAMPLE_FACTORS - L120m Gender:Male SUBJECT_SAMPLE_FACTORS - M270m Gender:Male SUBJECT_SAMPLE_FACTORS - N110m Gender:Male SUBJECT_SAMPLE_FACTORS - O110m Gender:Male #COLLECTION CO:COLLECTION_SUMMARY Flash frozen and lyophilzed CO:SAMPLE_TYPE Plant #TREATMENT TR:TREATMENT_SUMMARY standard growth conditions - 6 day old protonema #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Metabolomics_LCMSProtocol.pdf #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 height MS_METABOLITE_DATA_START Samples B150f E270f F140f G150f H140f I180f L100f M280f N170f O120f B190m E280m F110m G100m H150m L120m M270m N110m O110m Factors Gender:Female Gender:Female Gender:Female Gender:Female Gender:Female Gender:Female Gender:Female Gender:Female Gender:Female Gender:Female Gender:Male Gender:Male Gender:Male Gender:Male Gender:Male Gender:Male Gender:Male Gender:Male Gender:Male 2-alpha-D-glucosyl-D-glucose [M+Cl]- 1390000.0000 1300000.0000 1620000.0000 2510000.0000 1380000.0000 689000.0000 2210000.0000 2180000.0000 1850000.0000 1370000.0000 2280000.0000 915000.0000 1470000.0000 1760000.0000 1860000.0000 1170000.0000 1990000.0000 1900000.0000 2170000.0000 4-COUMARATE 392000.0000 548000.0000 320000.0000 474000.0000 206000.0000 296000.0000 371000.0000 113000.0000 467000.0000 284000.0000 353000.0000 358000.0000 1040000.0000 216000.0000 261000.0000 292000.0000 245000.0000 216000.0000 221000.0000 4-HYDROXYBENZALDEHYDE 311000.0000 342000.0000 222000.0000 367000.0000 186000.0000 393000.0000 252000.0000 238000.0000 376000.0000 233000.0000 539000.0000 254000.0000 288000.0000 342000.0000 308000.0000 211000.0000 348000.0000 284000.0000 279000.0000 4-HYDROXYBENZOATE 434000.0000 645000.0000 1030000.0000 535000.0000 147000.0000 304000.0000 464000.0000 174000.0000 169000.0000 180000.0000 942000.0000 378000.0000 1440000.0000 317000.0000 240000.0000 353000.0000 785000.0000 169000.0000 75900.0000 6-PHOSPHOGLUCONIC ACID 10700000.0000 15800000.0000 16000000.0000 15900000.0000 14700000.0000 24700000.0000 27600000.0000 3010000.0000 9680000.0000 19300000.0000 33600000.0000 20400000.0000 31900000.0000 21800000.0000 27200000.0000 16900000.0000 29000000.0000 12900000.0000 8890000.0000 ALDOPENTOSE 7210000.0000 5520000.0000 5090000.0000 5970000.0000 5660000.0000 4870000.0000 9630000.0000 4950000.0000 7250000.0000 5930000.0000 10100000.0000 4150000.0000 3900000.0000 10800000.0000 6970000.0000 4170000.0000 8240000.0000 3220000.0000 5050000.0000 ASPARAGINE 14600000.0000 12900000.0000 16800000.0000 13900000.0000 11100000.0000 8350000.0000 16900000.0000 5670000.0000 10500000.0000 9090000.0000 8460000.0000 14800000.0000 15100000.0000 6850000.0000 10800000.0000 8320000.0000 6290000.0000 5060000.0000 5500000.0000 ASPARTATE 238000000.0000 192000000.0000 131000000.0000 221000000.0000 171000000.0000 100000000.0000 116000000.0000 90600000.0000 149000000.0000 138000000.0000 162000000.0000 142000000.0000 101000000.0000 124000000.0000 153000000.0000 97500000.0000 161000000.0000 94800000.0000 94700000.0000 C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL-GLC) 22600000.0000 16200000.0000 19200000.0000 27100000.0000 16000000.0000 15200000.0000 21000000.0000 22100000.0000 29000000.0000 26000000.0000 24300000.0000 17400000.0000 19200000.0000 47000000.0000 20500000.0000 16100000.0000 31400000.0000 28200000.0000 33400000.0000 C5-SUGAR ALCOHOL 680000.0000 1170000.0000 924000.0000 1030000.0000 1470000.0000 1170000.0000 1010000.0000 865000.0000 1110000.0000 1040000.0000 1070000.0000 785000.0000 1360000.0000 1090000.0000 1090000.0000 836000.0000 1040000.0000 974000.0000 915000.0000 C6H12O6-HEXOSE/KETOSE/INOSITOL 21400000.0000 16100000.0000 11900000.0000 27300000.0000 16900000.0000 10500000.0000 22800000.0000 15900000.0000 22800000.0000 23500000.0000 25200000.0000 18900000.0000 13900000.0000 17700000.0000 19600000.0000 15100000.0000 16200000.0000 14800000.0000 13600000.0000 CYTIDINE 66700.0000 196000.0000 49900.0000 96300.0000 70700.0000 47200.0000 63300.0000 43500.0000 73500.0000 78700.0000 93100.0000 80000.0000 50000.0000 42000.0000 79400.0000 60000.0000 63500.0000 56800.0000 39500.0000 D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTURONIC ACID 2890000.0000 1930000.0000 916000.0000 3650000.0000 1430000.0000 1810000.0000 4100000.0000 1150000.0000 2510000.0000 1480000.0000 4790000.0000 1170000.0000 901000.0000 1600000.0000 1250000.0000 1450000.0000 1920000.0000 1320000.0000 726000.0000 DIHYDROXYACETONE PHOSPHATE 277000.0000 232000.0000 228000.0000 300000.0000 333000.0000 331000.0000 283000.0000 444000.0000 409000.0000 279000.0000 333000.0000 289000.0000 337000.0000 407000.0000 310000.0000 360000.0000 453000.0000 502000.0000 647000.0000 D-RIBOSE 5-PHOSPHATE 1360000.0000 1220000.0000 801000.0000 1080000.0000 1240000.0000 852000.0000 884000.0000 1060000.0000 1090000.0000 989000.0000 896000.0000 743000.0000 716000.0000 857000.0000 884000.0000 773000.0000 904000.0000 784000.0000 936000.0000 ETHYLMALONIC ACID 802000.0000 1270000.0000 347000.0000 1400000.0000 699000.0000 773000.0000 1170000.0000 681000.0000 1940000.0000 1180000.0000 1310000.0000 756000.0000 891000.0000 932000.0000 769000.0000 682000.0000 847000.0000 732000.0000 782000.0000 GLUCOSE/FRUCTOSE [M+Cl]- 10400000.0000 12500000.0000 9100000.0000 23200000.0000 13100000.0000 7830000.0000 9300000.0000 13400000.0000 14400000.0000 14800000.0000 19600000.0000 6680000.0000 4220000.0000 6310000.0000 12500000.0000 10100000.0000 14700000.0000 6770000.0000 5730000.0000 GLYCERIC ACID 3620000.0000 5620000.0000 5020000.0000 3720000.0000 4230000.0000 4910000.0000 4230000.0000 2840000.0000 5000000.0000 4870000.0000 4160000.0000 4340000.0000 4270000.0000 3510000.0000 4230000.0000 4750000.0000 3840000.0000 4010000.0000 2420000.0000 GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE 66300000.0000 12100000.0000 10700000.0000 67400000.0000 17000000.0000 21200000.0000 19100000.0000 33900000.0000 8620000.0000 27300000.0000 71500000.0000 16400000.0000 21700000.0000 32100000.0000 17300000.0000 41200000.0000 24300000.0000 69000000.0000 44300000.0000 GLYCOLATE 2090000.0000 1650000.0000 1970000.0000 1420000.0000 1840000.0000 1770000.0000 1310000.0000 2580000.0000 1680000.0000 1600000.0000 1190000.0000 1570000.0000 1310000.0000 1810000.0000 1810000.0000 2250000.0000 1550000.0000 2320000.0000 2300000.0000 GLYOXYLIC ACID 3970000.0000 3400000.0000 2040000.0000 3850000.0000 1390000.0000 1660000.0000 2540000.0000 1600000.0000 2560000.0000 2340000.0000 3260000.0000 4840000.0000 3730000.0000 2210000.0000 2380000.0000 2220000.0000 1560000.0000 2290000.0000 1100000.0000 HEXOSE ALCOHOL 349000.0000 361000.0000 441000.0000 408000.0000 529000.0000 847000.0000 659000.0000 1420000.0000 764000.0000 1390000.0000 1080000.0000 239000.0000 614000.0000 462000.0000 437000.0000 690000.0000 1710000.0000 816000.0000 768000.0000 HEXOSE-PHOSPHATE 10100000.0000 10400000.0000 9180000.0000 10400000.0000 11200000.0000 10500000.0000 11600000.0000 11300000.0000 13900000.0000 10600000.0000 9960000.0000 7040000.0000 10700000.0000 11300000.0000 10100000.0000 7090000.0000 9530000.0000 9540000.0000 13200000.0000 HYPOXANTHINE 2330000.0000 58800.0000 18900.0000 277000.0000 26100.0000 59400.0000 96600.0000 22900.0000 35500.0000 32200.0000 1760000.0000 23800.0000 43100.0000 22900.0000 34900.0000 86800.0000 22800.0000 40800.0000 42900.0000 Inosine 908000.0000 6160000.0000 1560000.0000 1020000.0000 1310000.0000 625000.0000 2660000.0000 210000.0000 5530000.0000 2980000.0000 3480000.0000 749000.0000 2090000.0000 11700000.0000 789000.0000 3690000.0000 1050000.0000 4720000.0000 3300000.0000 L-GLUTAMIC ACID 132000000.0000 179000000.0000 85600000.0000 157000000.0000 119000000.0000 104000000.0000 107000000.0000 69800000.0000 155000000.0000 107000000.0000 114000000.0000 117000000.0000 91000000.0000 153000000.0000 98600000.0000 63600000.0000 98600000.0000 71800000.0000 62200000.0000 L-GLUTAMINE 69800000.0000 70700000.0000 57100000.0000 81700000.0000 75900000.0000 75300000.0000 93200000.0000 67300000.0000 70700000.0000 57900000.0000 93100000.0000 58900000.0000 87600000.0000 60400000.0000 83200000.0000 58300000.0000 65000000.0000 70100000.0000 50600000.0000 L-SERINE 22200000.0000 26700000.0000 13800000.0000 22000000.0000 23600000.0000 23400000.0000 24900000.0000 18100000.0000 19700000.0000 31000000.0000 20900000.0000 18800000.0000 16600000.0000 25600000.0000 15800000.0000 20300000.0000 23800000.0000 17900000.0000 17300000.0000 N-ACETYL-L-ASPARTIC ACID 346000.0000 353000.0000 119000.0000 391000.0000 86600.0000 113000.0000 199000.0000 55900.0000 150000.0000 122000.0000 267000.0000 208000.0000 213000.0000 139000.0000 149000.0000 131000.0000 158000.0000 163000.0000 75600.0000 SARCOSINE/BETA-ALANINE 2790000.0000 3230000.0000 1830000.0000 2830000.0000 2140000.0000 1180000.0000 1450000.0000 1190000.0000 2250000.0000 1610000.0000 1740000.0000 1930000.0000 1360000.0000 1360000.0000 1840000.0000 1610000.0000 1880000.0000 1120000.0000 1580000.0000 THREONINE/HOMOSERINE 10700000.0000 11100000.0000 7080000.0000 15800000.0000 7840000.0000 14200000.0000 13200000.0000 8720000.0000 14200000.0000 9380000.0000 12800000.0000 12500000.0000 14200000.0000 18600000.0000 12600000.0000 9080000.0000 12000000.0000 9260000.0000 6610000.0000 Tryptophan 1380000.0000 2400000.0000 2440000.0000 2290000.0000 1000000.0000 1140000.0000 1890000.0000 436000.0000 1940000.0000 616000.0000 1350000.0000 2080000.0000 3080000.0000 1120000.0000 1550000.0000 629000.0000 573000.0000 795000.0000 849000.0000 UDP 7210000.0000 8730000.0000 5150000.0000 5950000.0000 3980000.0000 5670000.0000 6690000.0000 1710000.0000 4430000.0000 4110000.0000 5550000.0000 5940000.0000 4340000.0000 4200000.0000 4830000.0000 3330000.0000 3870000.0000 3090000.0000 2160000.0000 URATE 236000.0000 152000.0000 88100.0000 151000.0000 86300.0000 94800.0000 119000.0000 60000.0000 130000.0000 140000.0000 495000.0000 54200.0000 116000.0000 27900.0000 49800.0000 119000.0000 77400.0000 121000.0000 115000.0000 XANTHINE 7300000.0000 1010000.0000 133000.0000 2080000.0000 594000.0000 536000.0000 496000.0000 167000.0000 754000.0000 717000.0000 6880000.0000 297000.0000 321000.0000 196000.0000 695000.0000 471000.0000 285000.0000 563000.0000 519000.0000 6-DEOXY-HEXOSE 8.09E+04 9.69E+04 1.72E+05 1.01E+05 1.37E+05 1.98E+05 2.24E+05 1.90E+05 1.15E+05 1.67E+05 2.00E+05 1.04E+05 2.61E+05 2.30E+05 1.82E+05 1.66E+05 1.94E+05 1.45E+05 1.16E+05 5-METHYLCYTOSINE HYDROCLORIDE 3.26E+05 3.00E+05 4.03E+05 7.07E+05 4.70E+05 1.51E+06 7.77E+05 4.33E+05 1.39E+06 9.78E+05 7.99E+05 2.87E+05 9.28E+05 5.11E+05 1.35E+06 1.24E+06 4.26E+05 5.93E+05 1.34E+06 4-HYDROXYPROLINE 7.63E+05 1.02E+06 1.37E+06 7.41E+05 5.97E+05 8.83E+05 9.29E+05 7.48E+05 5.08E+05 6.81E+05 8.35E+05 1.17E+06 9.11E+05 1.48E+06 6.13E+05 7.61E+05 7.04E+05 4.99E+05 3.95E+05 4-HYDROXY-L-PHENYLGLYCINE 1.80E+05 1.96E+05 1.46E+05 2.88E+05 1.61E+05 2.16E+05 1.80E+05 2.91E+05 3.85E+05 2.65E+05 2.68E+05 1.55E+05 2.00E+05 3.81E+05 1.74E+05 2.42E+05 2.00E+05 2.08E+05 2.00E+05 4-GUANIDINOBUTANOATE 2.73E+06 3.23E+06 2.48E+06 3.52E+06 1.83E+06 3.34E+06 2.36E+06 1.67E+06 3.42E+06 2.81E+06 3.73E+06 2.38E+06 3.91E+06 4.35E+06 1.43E+07 2.66E+06 2.64E+06 4.24E+06 3.01E+06 4-AMINOBUTANOATE 4.33E+08 2.71E+08 1.09E+08 2.97E+08 2.15E+08 1.83E+08 1.12E+08 3.82E+07 3.12E+08 1.41E+08 1.80E+08 1.54E+08 1.28E+08 1.85E+08 2.33E+08 5.57E+07 6.80E+07 1.31E+08 8.18E+07 3-HYDROXY-3-METHYLGLUTARATE 3.28E+05 2.07E+07 3.60E+07 6.95E+05 9.90E+04 4.74E+05 3.08E+05 2.40E+05 4.32E+05 2.79E+05 4.00E+05 3.02E+07 4.29E+07 4.96E+05 3.50E+05 8.76E+06 7.18E+05 3.32E+05 4.40E+05 2-AMINOPHENOL 3.99E+05 3.37E+05 1.79E+05 2.89E+05 1.57E+05 2.69E+05 2.10E+05 1.64E+05 3.83E+05 2.41E+05 2.33E+05 2.46E+05 4.64E+05 2.42E+05 3.16E+05 1.91E+05 1.85E+05 1.82E+05 3.41E+05 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 2-alpha-D-glucosyl-D-glucose [M+Cl]- 0.87 UFLORIDA_MS_RI UFLORIDA_FEATURE 4-COUMARATE 8.28 UFLORIDA_MS_RI 637542 UFLORIDA_FEATURE 4-HYDROXYBENZALDEHYDE 8.03 UFLORIDA_MS_RI 126 UFLORIDA_FEATURE 4-HYDROXYBENZOATE 7.37 UFLORIDA_MS_RI 135 UFLORIDA_FEATURE 6-PHOSPHOGLUCONIC ACID 0.90 UFLORIDA_MS_RI 91493 UFLORIDA_FEATURE ALDOPENTOSE 0.83 UFLORIDA_MS_RI UFLORIDA_FEATURE ASPARAGINE 0.71 UFLORIDA_MS_RI 6267 UFLORIDA_FEATURE ASPARTATE 0.72 UFLORIDA_MS_RI 5960 UFLORIDA_FEATURE C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL-GLC) 0.79 UFLORIDA_MS_RI UFLORIDA_FEATURE C5-SUGAR ALCOHOL 0.76 UFLORIDA_MS_RI UFLORIDA_FEATURE C6H12O6-HEXOSE/KETOSE/INOSITOL 0.77 UFLORIDA_MS_RI UFLORIDA_FEATURE CYTIDINE 1.68 UFLORIDA_MS_RI 6175 UFLORIDA_FEATURE D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTURONIC ACID 0.77 UFLORIDA_MS_RI UFLORIDA_FEATURE DIHYDROXYACETONE PHOSPHATE 0.82 UFLORIDA_MS_RI 668 UFLORIDA_FEATURE D-RIBOSE 5-PHOSPHATE 0.84 UFLORIDA_MS_RI 439167 UFLORIDA_FEATURE ETHYLMALONIC ACID 6.03 UFLORIDA_MS_RI 11756 UFLORIDA_FEATURE GLUCOSE/FRUCTOSE [M+Cl]- 0.72 UFLORIDA_MS_RI C00293;C01496 UFLORIDA_FEATURE GLYCERIC ACID 0.81 UFLORIDA_MS_RI 439194 UFLORIDA_FEATURE GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE 0.73 UFLORIDA_MS_RI UFLORIDA_FEATURE GLYCOLATE 0.94 UFLORIDA_MS_RI 757 UFLORIDA_FEATURE GLYOXYLIC ACID 0.87 UFLORIDA_MS_RI 760 UFLORIDA_FEATURE HEXOSE ALCOHOL 0.82 UFLORIDA_MS_RI UFLORIDA_FEATURE HEXOSE-PHOSPHATE 0.70 UFLORIDA_MS_RI UFLORIDA_FEATURE HYPOXANTHINE 2.05 UFLORIDA_MS_RI 790 UFLORIDA_FEATURE Inosine 0.93 UFLORIDA_MS_RI 6021 C00294 UFLORIDA_FEATURE L-GLUTAMIC ACID 0.75 UFLORIDA_MS_RI 33032 UFLORIDA_FEATURE L-GLUTAMINE 0.79 UFLORIDA_MS_RI 5961 UFLORIDA_FEATURE L-SERINE 0.79 UFLORIDA_MS_RI 5951 UFLORIDA_FEATURE N-ACETYL-L-ASPARTIC ACID 1.54 UFLORIDA_MS_RI 65065 UFLORIDA_FEATURE SARCOSINE/BETA-ALANINE 0.72 UFLORIDA_MS_RI UFLORIDA_FEATURE THREONINE/HOMOSERINE 0.73 UFLORIDA_MS_RI UFLORIDA_FEATURE Tryptophan 6.45 UFLORIDA_MS_RI 6305 UFLORIDA_FEATURE UDP 0.81 UFLORIDA_MS_RI 6031 C00015 UFLORIDA_FEATURE URATE 1.86 UFLORIDA_MS_RI 1175 UFLORIDA_FEATURE XANTHINE 2.52 UFLORIDA_MS_RI 1188 UFLORIDA_FEATURE 6-DEOXY-HEXOSE 6-DEOXY-HEXOSE 5-METHYLCYTOSINE HYDROCLORIDE 5-METHYLCYTOSINE HYDROCLORIDE 4-HYDROXYPROLINE 4-HYDROXYPROLINE 4-HYDROXY-L-PHENYLGLYCINE 4-HYDROXY-L-PHENYLGLYCINE 4-GUANIDINOBUTANOATE 4-GUANIDINOBUTANOATE 4-AMINOBUTANOATE 4-AMINOBUTANOATE 3-HYDROXY-3-METHYLGLUTARATE 3-HYDROXY-3-METHYLGLUTARATE 2-AMINOPHENOL 2-AMINOPHENOL METABOLITES_END #END