#METABOLOMICS WORKBENCH amitch_20150902_9523861_mwtab.txt DATATRACK_ID:352 STUDY_ID:ST000244 ANALYSIS_ID:AN000382 PROJECT_ID:PR000197 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Metabolomic Diagnostics in the Horse PR:PROJECT_SUMMARY In this project we will investigate the feasibility of metabolomics and to PR:PROJECT_SUMMARY the diversity of ?metabotypes? in the horse, towards discovery of markers and PR:PROJECT_SUMMARY associated with obesity and insulin resistance in the equine model. The PR:PROJECT_SUMMARY team of researchers assembled for this work have identified horses severely PR:PROJECT_SUMMARY with Equine Metabolic syndrome, often characterized by obesity and PR:PROJECT_SUMMARY These animals are all from the Arabian breed, to control for some genetic PR:PROJECT_SUMMARY Horses are age, sex and farm of residence matched with a control animal PR:PROJECT_SUMMARY possible. Carefully controlled collection protocols were utilized to ensure PR:PROJECT_SUMMARY variability in sample age and quality. Blood plasma is submitted for both PR:PROJECT_SUMMARY LC-MS analysis through the SECIM core facilities. This discovery-based approach PR:PROJECT_SUMMARY begin to generate new targets for the development of novel therapeutic PR:PROJECT_SUMMARY for the treatment and prevention of obesity, type-2 diabetes as well as related PR:PROJECT_SUMMARY conditions in both humans and horses. Finally, as the first dataset of its kind PR:PROJECT_SUMMARY the horse, we may also be able to highlight promising new biomarkers for PR:PROJECT_SUMMARY diagnostic use. PR:INSTITUTE University of Florida PR:LABORATORY Brooks Lab PR:LAST_NAME Brooks PR:FIRST_NAME Samantha PR:ADDRESS - PR:EMAIL samantha.brooks@ufl.edu PR:PHONE 352-273-8080 PR:FUNDING_SOURCE Southeastern Center for Integrated Metabolomics (SECIM) pilot and feasibility PR:FUNDING_SOURCE NIH U24 DK097209 #STUDY ST:STUDY_TITLE Metabolomic Diagnosis in Horse ST:STUDY_TYPE comparison ST:STUDY_SUMMARY In this project we will investigate the feasibility of metabolomics and to ST:STUDY_SUMMARY the diversity of ?metabotypes? in the horse, towards discovery of markers and ST:STUDY_SUMMARY associated with obesity and insulin resistance in the equine model. The ST:STUDY_SUMMARY team of researchers assembled for this work have identified horses severely ST:STUDY_SUMMARY with Equine Metabolic syndrome, often characterized by obesity and ST:STUDY_SUMMARY These animals are all from the Arabian breed, to control for some genetic ST:STUDY_SUMMARY Horses are age, sex and farm of residence matched with a control animal ST:STUDY_SUMMARY possible. Carefully controlled collection protocols were utilized to ensure ST:STUDY_SUMMARY variability in sample age and quality. Blood plasma is submitted for both ST:STUDY_SUMMARY LC-MS analysis through the SECIM core facilities. This discovery-based approach ST:STUDY_SUMMARY begin to generate new targets for the development of novel therapeutic ST:STUDY_SUMMARY for the treatment and prevention of obesity, type-2 diabetes as well as related ST:STUDY_SUMMARY conditions in both humans and horses. Finally, as the first dataset of its kind ST:STUDY_SUMMARY the horse, we may also be able to highlight promising new biomarkers for ST:STUDY_SUMMARY diagnostic use. ST:INSTITUTE University of Florida ST:LAST_NAME Brooks ST:FIRST_NAME Samantha ST:ADDRESS - ST:EMAIL samantha.brooks@ufl.edu ST:PHONE - ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 51 #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Equus caballus SU:TAXONOMY_ID 9796 SU:GENOTYPE_STRAIN Arabian 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 - 2268 Treatment:Control | Gender:Female Age=12; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2204 Treatment:Control | Gender:Female Age=13; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2227 Treatment:Control | Gender:Female Age=13; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2223 Treatment:Control | Gender:Female Age=14; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2241 Treatment:Control | Gender:Female Age=16; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2232 Treatment:Control | Gender:Female Age=17; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2244 Treatment:Control | Gender:Female Age=21; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2267 Treatment:Control | Gender:Female Age=21; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2245 Treatment:Control | Gender:Female Age=24; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2214 Treatment:Control | Gender:Female Age=31; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2222 Treatment:Control | Gender:Male(gelding) Age=10; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2253 Treatment:Control | Gender:Male(gelding) Age=12; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2250 Treatment:Control | Gender:Male(gelding) Age=15; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2256 Treatment:Control | Gender:Male(gelding) Age=18; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2205 Treatment:Control | Gender:Male(gelding) Age=20; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2209 Treatment:Control | Gender:Male(gelding) Age=21; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2233 Treatment:Control | Gender:Male(gelding) Age=9; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2212 Treatment:EMS | Gender:Female Age=10; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2215 Treatment:EMS | Gender:Female Age=12; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2221 Treatment:EMS | Gender:Female Age=13; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2217 Treatment:EMS | Gender:Female Age=14; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2226 Treatment:EMS | Gender:Female Age=14; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2255 Treatment:EMS | Gender:Female Age=14; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2265 Treatment:EMS | Gender:Female Age=14; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2229 Treatment:EMS | Gender:Female Age=15; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2242 Treatment:EMS | Gender:Female Age=19; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2243 Treatment:EMS | Gender:Female Age=19; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2246 Treatment:EMS | Gender:Female Age=23; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2274 Treatment:EMS | Gender:Female Age=23; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2270 Treatment:EMS | Gender:Male(gelding) Age=10; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2235 Treatment:EMS | Gender:Male(gelding) Age=14; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2266 Treatment:EMS | Gender:Male(gelding) Age=14; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2228 Treatment:EMS | Gender:Male(gelding) Age=16; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2247 Treatment:EMS | Gender:Male(gelding) Age=17; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2257 Treatment:EMS | Gender:Male(gelding) Age=17; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2219 Treatment:EMS | Gender:Male(gelding) Age=22; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2239 Treatment:EMS | Gender:Male(gelding) Age=25; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2271 Treatment:EMS | Gender:Male(gelding) Age=8; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2254 Treatment:EMS-Treated | Gender:Female Age=13; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2220 Treatment:EMS-Treated | Gender:Female Age=15; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2263 Treatment:EMS-Treated | Gender:Female Age=16; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2258 Treatment:EMS-Treated | Gender:Female Age=25; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2216 Treatment:EMS-Treated | Gender:Male(gelding) Age=10; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2210 Treatment:EMS-Treated | Gender:Male(gelding) Age=12; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2249 Treatment:EMS-Treated | Gender:Male(gelding) Age=12; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2264 Treatment:EMS-Treated | Gender:Male(gelding) Age=14; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2238 Treatment:EMS-Treated | Gender:Male(gelding) Age=16; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2234 Treatment:EMS-Treated | Gender:Male(gelding) Age=20; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2225 Treatment:EMS-Treated | Gender:Male(gelding) Age=24; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2261 Treatment:EMS-Treated | Gender:Male(gelding) Age=26; Volume=1-2; Units=mL SUBJECT_SAMPLE_FACTORS - 2248 Treatment:EMS-Treated | Gender:Male(gelding) Age=9; Volume=1-2; Units=mL #COLLECTION CO:COLLECTION_SUMMARY A mobile set-up allowed for immediate processing of samples from study horses CO:COLLECTION_SUMMARY their home farm. 50mL of blood was collected into two EDTA tubes, two CO:COLLECTION_SUMMARY tubes, and one sodium oxalate tube. EDTA and sodium oxalate treated samples CO:COLLECTION_SUMMARY thoroughly mixed by inversion and immediately centrifuged to pellet the cells CO:COLLECTION_SUMMARY allow for removal of plasma by pipette. Blood drawn in a no-additive tube was CO:COLLECTION_SUMMARY to clot, centrifuged, and had the serum removed by pipette. The draw yielded CO:COLLECTION_SUMMARY mL of plasma and 3-4mL of serum, which was then divided in to 1mL aliquots and CO:COLLECTION_SUMMARY snap frozen by immersion in liquid nitrogen. Upon returning to the lab, the CO:COLLECTION_SUMMARY were then transfered to -80C for storage. Currently, only plasma is being CO:COLLECTION_SUMMARY for metabolomic analysis. CO:COLLECTION_PROTOCOL_FILENAME collection.txt CO:SAMPLE_TYPE Blood CO:COLLECTION_METHOD jugular venipuncture CO:COLLECTION_LOCATION On farm CO:COLLECTION_DURATION 30 minutes per horse total CO:COLLECTION_TIME na CO:VOLUMEORAMOUNT_COLLECTED 50ml whole blood CO:STORAGE_CONDITIONS snap frozen in LN2 on farm, -80 in lab CO:COLLECTION_VIALS glass vacutainer CO:STORAGE_VIALS plastic cryovials CO:COLLECTION_TUBE_TEMP ambient during draw and centrifugation, then LN2 after plasma removal CO:ADDITIVES EDTA CO:BLOOD_SERUM_OR_PLASMA PLASMA #TREATMENT TR:TREATMENT_SUMMARY Blood was collected from the jugular vein and processed for serum, plasma, and TR:TREATMENT_SUMMARY using standard procedures. To minimize circadian and meal associated effects on TR:TREATMENT_SUMMARY parameters, samples were collected in the morning prior to feeding concentrated TR:TREATMENT_SUMMARY Care was taken to minimize stress to the animals, and no special treatments TR:TREATMENT_SUMMARY given. Body measures were also gathered on each animal to capture regional TR:TREATMENT_SUMMARY and body size using a well optimized protocol, as well as body condition scores TR:TREATMENT_SUMMARY to the Henneke system [numerical scores of 1 for emaciated to 9 for extremely TR:TREATMENT_SUMMARY Detailed diets, exercise regimes and a complete health history on each TR:TREATMENT_SUMMARY were recorded. are privately-owned, live on several farms in the central TR:TREATMENT_SUMMARY area, and may have naturaly aquired disease. Based on the collected TR:TREATMENT_SUMMARY each horse is assigned to one of three diagnostic groups: 1) Normal Control, TR:TREATMENT_SUMMARY Metabolic Syndrome and 3)EMS- under treatment. TR:TREATMENT_PROTOCOL_FILENAME treatment.txt #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Metabolomics_LCMSProtocol.pdf SP:SAMPLEPREP_PROTOCOL_COMMENTS Standard protein precipitation method is included in this document SP:PROCESSING_METHOD PLASMA SP:EXTRACTION_METHOD PLASMA #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 Analysis ID (will be added) AN:OPERATOR_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 2268 2204 2227 2223 2241 2232 2244 2267 2245 2214 2222 2253 2250 2256 2205 2209 2233 2212 2215 2221 2217 2226 2255 2265 2229 2242 2243 2246 2274 2270 2235 2266 2228 2247 2257 2219 2239 2271 2254 2220 2263 2258 2216 2210 2249 2264 2238 2234 2225 2261 2248 Factors Treatment:Control | Gender:Female Treatment:Control | Gender:Female Treatment:Control | Gender:Female Treatment:Control | Gender:Female Treatment:Control | Gender:Female Treatment:Control | Gender:Female Treatment:Control | Gender:Female Treatment:Control | Gender:Female Treatment:Control | Gender:Female Treatment:Control | Gender:Female Treatment:Control | Gender:Male(gelding) Treatment:Control | Gender:Male(gelding) Treatment:Control | Gender:Male(gelding) Treatment:Control | Gender:Male(gelding) Treatment:Control | Gender:Male(gelding) Treatment:Control | Gender:Male(gelding) Treatment:Control | Gender:Male(gelding) Treatment:EMS | Gender:Female Treatment:EMS | Gender:Female Treatment:EMS | Gender:Female Treatment:EMS | Gender:Female Treatment:EMS | Gender:Female Treatment:EMS | Gender:Female Treatment:EMS | Gender:Female Treatment:EMS | Gender:Female Treatment:EMS | Gender:Female Treatment:EMS | Gender:Female Treatment:EMS | Gender:Female Treatment:EMS | Gender:Female Treatment:EMS | Gender:Male(gelding) Treatment:EMS | Gender:Male(gelding) Treatment:EMS | Gender:Male(gelding) Treatment:EMS | Gender:Male(gelding) Treatment:EMS | Gender:Male(gelding) Treatment:EMS | Gender:Male(gelding) Treatment:EMS | Gender:Male(gelding) Treatment:EMS | Gender:Male(gelding) Treatment:EMS | Gender:Male(gelding) Treatment:EMS-Treated | Gender:Female Treatment:EMS-Treated | Gender:Female Treatment:EMS-Treated | Gender:Female Treatment:EMS-Treated | Gender:Female Treatment:EMS-Treated | Gender:Male(gelding) Treatment:EMS-Treated | Gender:Male(gelding) Treatment:EMS-Treated | Gender:Male(gelding) Treatment:EMS-Treated | Gender:Male(gelding) Treatment:EMS-Treated | Gender:Male(gelding) Treatment:EMS-Treated | Gender:Male(gelding) Treatment:EMS-Treated | Gender:Male(gelding) Treatment:EMS-Treated | Gender:Male(gelding) Treatment:EMS-Treated | Gender:Male(gelding) 3-(2-HYDROXYPHENYL)PROPANOATE 28900000.0000 94900000.0000 26900000.0000 25200000.0000 46700000.0000 13100000.0000 28000000.0000 25100000.0000 19100000.0000 72500000.0000 13500000.0000 67400000.0000 21000000.0000 42400000.0000 49200000.0000 42100000.0000 19200000.0000 89600000.0000 38200000.0000 15200000.0000 21200000.0000 21800000.0000 27200000.0000 79500000.0000 11000000.0000 42200000.0000 29800000.0000 29000000.0000 41300000.0000 48200000.0000 34900000.0000 19900000.0000 15800000.0000 17200000.0000 44300000.0000 21100000.0000 21700000.0000 21400000.0000 71500000.0000 6770000.0000 25600000.0000 22500000.0000 44700000.0000 65800000.0000 7460000.0000 24700000.0000 28300000.0000 23100000.0000 19700000.0000 24000000.0000 3540000.0000 3-HYDROXYPHENYLACETATE 13500000.0000 6660000.0000 15200000.0000 18600000.0000 15900000.0000 3930000.0000 11500000.0000 11900000.0000 10900000.0000 15500000.0000 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572.0000 9810.0000 21500.0000 34600.0000 8860.0000 24700.0000 24600.0000 10500.0000 21000.0000 31900.0000 31800.0000 12600.0000 17600.0000 9390.0000 41900.0000 8370.0000 4930.0000 111000.0000 17700.0000 12300.0000 12100.0000 25300.0000 29300.0000 17900.0000 24000.0000 19200.0000 8420.0000 5260.0000 21000.0000 15800.0000 4900.0000 14900.0000 7020.0000 17300.0000 10700.0000 42500.0000 344000.0000 35600.0000 9500.0000 L-CARNITINE 3810000.0000 3660000.0000 7240000.0000 5200000.0000 3980000.0000 1150000.0000 3800000.0000 3830000.0000 2920000.0000 5630000.0000 4820000.0000 5030000.0000 2550000.0000 3340000.0000 5970000.0000 5180000.0000 3000000.0000 3910000.0000 6450000.0000 3510000.0000 19700000.0000 3310000.0000 1140000.0000 2680000.0000 2130000.0000 4050000.0000 4090000.0000 1990000.0000 5190000.0000 3110000.0000 6040000.0000 3190000.0000 1300000.0000 3320000.0000 4220000.0000 3720000.0000 2750000.0000 3020000.0000 3740000.0000 3630000.0000 3540000.0000 3980000.0000 3410000.0000 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3940000.0000 5520000.0000 4000000.0000 734000.0000 2000000.0000 4380000.0000 5740000.0000 1470000.0000 4000000.0000 243000000.0000 3820000.0000 20300000.0000 Threonine 9260000.0000 18500000.0000 7010000.0000 17000000.0000 7030000.0000 42400000.0000 13500000.0000 6630000.0000 13500000.0000 14100000.0000 10800000.0000 12000000.0000 5520000.0000 8630000.0000 40200000.0000 7870000.0000 15600000.0000 9560000.0000 13100000.0000 5770000.0000 13200000.0000 13300000.0000 10100000.0000 13800000.0000 5330000.0000 13400000.0000 14700000.0000 29400000.0000 9410000.0000 8020000.0000 15700000.0000 7500000.0000 8430000.0000 8230000.0000 11500000.0000 10300000.0000 11300000.0000 8750000.0000 12200000.0000 11600000.0000 8560000.0000 10900000.0000 8210000.0000 13500000.0000 8700000.0000 11800000.0000 12300000.0000 14300000.0000 14400000.0000 7530000.0000 11900000.0000 Tryptophan 60800000.0000 30800000.0000 44200000.0000 55500000.0000 38000000.0000 56500000.0000 39300000.0000 36500000.0000 81900000.0000 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26600000.0000 21200000.0000 21100000.0000 21700000.0000 URATE 9840000.0000 13200000.0000 54000000.0000 23200000.0000 5930000.0000 45900000.0000 14000000.0000 865000.0000 39900000.0000 73900000.0000 12700000.0000 11400000.0000 51900000.0000 14500000.0000 53900000.0000 9110000.0000 74400000.0000 37800000.0000 75000000.0000 36300000.0000 61800000.0000 61000000.0000 10200000.0000 26700000.0000 22900000.0000 38200000.0000 39700000.0000 64700000.0000 70500000.0000 30100000.0000 55400000.0000 61900000.0000 10900000.0000 26700000.0000 21000000.0000 41700000.0000 29100000.0000 27600000.0000 28300000.0000 25400000.0000 48700000.0000 12100000.0000 20000000.0000 61200000.0000 37900000.0000 85300000.0000 79600000.0000 57400000.0000 52300000.0000 101000000.0000 29200000.0000 Valine 14700000.0000 17900000.0000 13100000.0000 17400000.0000 14800000.0000 15500000.0000 19800000.0000 12200000.0000 18200000.0000 15800000.0000 14200000.0000 20500000.0000 14000000.0000 17600000.0000 15200000.0000 12700000.0000 17600000.0000 14800000.0000 15100000.0000 15400000.0000 18000000.0000 15400000.0000 13600000.0000 16400000.0000 11100000.0000 15800000.0000 15800000.0000 17400000.0000 12300000.0000 13700000.0000 20200000.0000 14200000.0000 12400000.0000 17000000.0000 18200000.0000 14700000.0000 17400000.0000 13200000.0000 16000000.0000 14000000.0000 13900000.0000 15800000.0000 13300000.0000 18000000.0000 16800000.0000 15100000.0000 16100000.0000 19000000.0000 15800000.0000 12700000.0000 18200000.0000 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-(2-HYDROXYPHENYL)PROPANOATE 165.0555 8.74 UFLORIDA_MS_RI 873 C01198 UFLORIDA_FEATURE 3-HYDROXYPHENYLACETATE 151.0402 7.47 UFLORIDA_MS_RI 12122 C05593 UFLORIDA_FEATURE 3-UREIDOPROPIONATE 133.0610 1.35 UFLORIDA_MS_RI 111 C02642 UFLORIDA_FEATURE 5-OXO-L-PROLINE 128.0354 1.9 UFLORIDA_MS_RI 7405 C01879 UFLORIDA_FEATURE ADENINE 136.0621 1.57 UFLORIDA_MS_RI 190 C00147 UFLORIDA_FEATURE ADENOSINE 5'-MONOPHOSPHATE 346.0551 1.84 UFLORIDA_MS_RI 6083 C00020 UFLORIDA_FEATURE ALLANTOIN 159.0515 0.80 UFLORIDA_MS_RI 204 C01551 UFLORIDA_FEATURE ALPHA-AMINOADIPATE 160.0616 0.97 UFLORIDA_MS_RI 469 C00956 UFLORIDA_FEATURE ALPHA-HYDROXYISOBUTYRIC ACID 103.0398 2.31 UFLORIDA_MS_RI 11671 UFLORIDA_FEATURE arginine 175.119 6322 C00062 UFLORIDA_FEATURE CITRATE 215.0164 1.92 UFLORIDA_MS_RI 311 C00158 UFLORIDA_FEATURE CITRULLINE 174.0883 0.84 UFLORIDA_MS_RI 9750 C00327 UFLORIDA_FEATURE Creatine 130.0622 0.96 UFLORIDA_MS_RI 586 C00300 UFLORIDA_FEATURE Creatine-D3 135.0955 0.95 UFLORIDA_MS_RI UFLORIDA_FEATURE Creatinine 114.0667 1 UFLORIDA_MS_RI 588 C00791 UFLORIDA_FEATURE D-GLUCURONOLACTONE 193.0351 0.78 UFLORIDA_MS_RI 92283 C02670 UFLORIDA_FEATURE GLUCONIC ACID 195.0508 0.83 UFLORIDA_MS_RI 10690 C00257 UFLORIDA_FEATURE GLUCOSE/FRUCTOSE [M+Cl]- 215.0324 0.72 UFLORIDA_MS_RI C00293;C01496 UFLORIDA_FEATURE Glutamine 147.0767 0.79 UFLORIDA_MS_RI 5961 C00064 UFLORIDA_FEATURE GLYCERALDEHYDE 89.0239 1.32 UFLORIDA_MS_RI 751 C02154 UFLORIDA_FEATURE GLYCERATE 105.0191 0.91 UFLORIDA_MS_RI 439194 C00258 UFLORIDA_FEATURE guanine 152.0553 764 C00242 UFLORIDA_FEATURE Histidine 156.0773 0.7 UFLORIDA_MS_RI 6274 C00135 UFLORIDA_FEATURE HOMOVANILLATE 181.0505 7.49 UFLORIDA_MS_RI 1738 C05582 UFLORIDA_FEATURE L-ANSERINE 239.1148 0.82 UFLORIDA_MS_RI 112072 C01262 UFLORIDA_FEATURE L-CARNITINE 162.1126 1.03 UFLORIDA_MS_RI 288 UFLORIDA_FEATURE L-Leucine 132.1022 2.5 UFLORIDA_MS_RI 6106 C16439 UFLORIDA_FEATURE L-SERINE 104.0349 0.79 UFLORIDA_MS_RI 5951 C00065 UFLORIDA_FEATURE MYO-INOSITOL 179.0560 0.80 UFLORIDA_MS_RI 892 C00137 UFLORIDA_FEATURE N-ACETYL-DL-SERINE 146.0458 1.15 UFLORIDA_MS_RI 352294 UFLORIDA_FEATURE N-ACETYL-D-MANNOSAMINE 256.0594 0.86 UFLORIDA_MS_RI 439281 UFLORIDA_FEATURE N-ACETYLGLYCINE 116.0352 1.14 UFLORIDA_MS_RI 10972 UFLORIDA_FEATURE N-FORMYLGLYCINE 102.0194 1.15 UFLORIDA_MS_RI 75606 UFLORIDA_FEATURE QUINATE 193.0708 0.85 UFLORIDA_MS_RI 6508 C00296 UFLORIDA_FEATURE (R)-MALATE 157.0112 1.13 UFLORIDA_MS_RI 92824 C00497 UFLORIDA_FEATURE SUCCINATE 141.0162 2.29 UFLORIDA_MS_RI 1110 C00042 UFLORIDA_FEATURE TAURINE 124.0075 0.78 UFLORIDA_MS_RI 1123 C00245 UFLORIDA_FEATURE Threonine 120.066 0.8 UFLORIDA_MS_RI 6288 C00188 UFLORIDA_FEATURE Tryptophan 203.0825 6.45 UFLORIDA_MS_RI 6305 C00078 UFLORIDA_FEATURE Tryptophan-2,3,3-D3 208.1161 6.44 UFLORIDA_MS_RI UFLORIDA_FEATURE Tyrosine 182.0817 3.24 UFLORIDA_MS_RI 6057 C00082 UFLORIDA_FEATURE URATE 167.0205 1.86 UFLORIDA_MS_RI 1175 C00366 UFLORIDA_FEATURE Valine 118.0866 1.17 UFLORIDA_MS_RI 6287 C16436 UFLORIDA_FEATURE ADENOSINE 5^-MONOPHOSPHATE Tryptophan-2_3_3-D3 METABOLITES_END #END