#METABOLOMICS WORKBENCH amitch_20150902_9523861_mwtab.txt DATATRACK_ID:352 STUDY_ID:ST000244 ANALYSIS_ID:AN000381 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 POSITIVE #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) 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4710000.0000 2380000.0000 2510000.0000 2730000.0000 7420000.0000 2550000.0000 2260000.0000 5300000.0000 2660000.0000 3820000.0000 4700000.0000 1670000.0000 ALPHA-AMINOADIPATE 25300000.0000 19500000.0000 24000000.0000 19400000.0000 14600000.0000 23600000.0000 19700000.0000 18300000.0000 20100000.0000 15100000.0000 18800000.0000 22900000.0000 22400000.0000 15500000.0000 16500000.0000 21500000.0000 28400000.0000 17200000.0000 20800000.0000 21800000.0000 24500000.0000 20400000.0000 17200000.0000 23400000.0000 15800000.0000 15200000.0000 13900000.0000 23700000.0000 15500000.0000 13900000.0000 17600000.0000 20900000.0000 18000000.0000 19400000.0000 15200000.0000 14500000.0000 23200000.0000 22400000.0000 21200000.0000 18100000.0000 14500000.0000 14900000.0000 19400000.0000 16600000.0000 19400000.0000 12700000.0000 20800000.0000 17900000.0000 14800000.0000 18900000.0000 21200000.0000 BETA-ALANINE 55900000.0000 42200000.0000 34800000.0000 48500000.0000 44100000.0000 42200000.0000 33700000.0000 53300000.0000 41200000.0000 49300000.0000 66500000.0000 63600000.0000 38200000.0000 53900000.0000 51900000.0000 69500000.0000 41600000.0000 58700000.0000 30000000.0000 36000000.0000 36200000.0000 35000000.0000 33700000.0000 28600000.0000 30900000.0000 52900000.0000 50700000.0000 53200000.0000 43600000.0000 56800000.0000 54100000.0000 34300000.0000 59100000.0000 44600000.0000 50000000.0000 34700000.0000 43800000.0000 29400000.0000 64900000.0000 43500000.0000 49500000.0000 47700000.0000 62500000.0000 41600000.0000 47100000.0000 39200000.0000 55900000.0000 33700000.0000 63100000.0000 30800000.0000 29300000.0000 CITRATE 7770000.0000 6940000.0000 4460000.0000 5730000.0000 3890000.0000 4590000.0000 3640000.0000 4610000.0000 4130000.0000 4870000.0000 8980000.0000 6610000.0000 6320000.0000 5370000.0000 3870000.0000 5410000.0000 4210000.0000 5280000.0000 4820000.0000 5870000.0000 7110000.0000 3330000.0000 7360000.0000 6910000.0000 4260000.0000 4320000.0000 5200000.0000 5060000.0000 4900000.0000 3420000.0000 4380000.0000 3360000.0000 3710000.0000 1390000.0000 5190000.0000 4350000.0000 3780000.0000 3510000.0000 4540000.0000 7640000.0000 4140000.0000 3800000.0000 4900000.0000 5600000.0000 4400000.0000 2420000.0000 3780000.0000 3980000.0000 4660000.0000 3840000.0000 3460000.0000 CITRULLINE 29100000.0000 55000000.0000 50100000.0000 35400000.0000 45200000.0000 38700000.0000 31700000.0000 34700000.0000 34400000.0000 25100000.0000 34400000.0000 26900000.0000 31000000.0000 35100000.0000 27600000.0000 35300000.0000 23700000.0000 39000000.0000 36300000.0000 29900000.0000 31800000.0000 36400000.0000 38900000.0000 20400000.0000 51800000.0000 37300000.0000 41200000.0000 30800000.0000 29300000.0000 25400000.0000 60800000.0000 41400000.0000 22800000.0000 30700000.0000 61200000.0000 23600000.0000 37600000.0000 28100000.0000 27800000.0000 44700000.0000 35800000.0000 27100000.0000 31700000.0000 62200000.0000 37500000.0000 21900000.0000 21100000.0000 28000000.0000 33200000.0000 60600000.0000 35200000.0000 Creatine 1800000.0000 912000.0000 904000.0000 1400000.0000 1080000.0000 1230000.0000 906000.0000 1120000.0000 723000.0000 1790000.0000 1270000.0000 1390000.0000 1150000.0000 1300000.0000 1400000.0000 665000.0000 1010000.0000 976000.0000 1370000.0000 1090000.0000 814000.0000 1260000.0000 1640000.0000 1220000.0000 1300000.0000 1760000.0000 642000.0000 769000.0000 722000.0000 16900000.0000 1170000.0000 1190000.0000 742000.0000 923000.0000 1300000.0000 1060000.0000 640000.0000 456000.0000 1290000.0000 1070000.0000 967000.0000 1550000.0000 955000.0000 1290000.0000 1060000.0000 891000.0000 1270000.0000 1150000.0000 1170000.0000 23300000.0000 880000.0000 Creatine-D3 11900000.0000 7090000.0000 12100000.0000 44000000.0000 16300000.0000 11100000.0000 17400000.0000 23200000.0000 9500000.0000 15400000.0000 41700000.0000 10300000.0000 17300000.0000 19700000.0000 17300000.0000 11400000.0000 10000000.0000 20600000.0000 23300000.0000 22500000.0000 13000000.0000 20700000.0000 24700000.0000 13000000.0000 12800000.0000 11000000.0000 13300000.0000 12700000.0000 16700000.0000 41500000.0000 26400000.0000 38200000.0000 8980000.0000 12100000.0000 19700000.0000 19800000.0000 9010000.0000 10900000.0000 15200000.0000 58400000.0000 8320000.0000 18900000.0000 16300000.0000 12400000.0000 9390000.0000 12700000.0000 8290000.0000 15700000.0000 63000000.0000 17000000.0000 12600000.0000 Creatinine 1400000000.0000 1380000000.0000 1210000000.0000 1730000000.0000 1180000000.0000 1480000000.0000 1270000000.0000 1310000000.0000 1370000000.0000 1520000000.0000 1540000000.0000 1410000000.0000 1700000000.0000 1350000000.0000 1790000000.0000 1180000000.0000 1290000000.0000 1410000000.0000 1490000000.0000 1510000000.0000 1170000000.0000 1570000000.0000 1510000000.0000 1290000000.0000 1400000000.0000 1780000000.0000 1110000000.0000 1070000000.0000 1150000000.0000 1350000000.0000 1380000000.0000 1110000000.0000 1350000000.0000 1030000000.0000 1580000000.0000 1300000000.0000 1110000000.0000 966000000.0000 1380000000.0000 1570000000.0000 1330000000.0000 1440000000.0000 1340000000.0000 1550000000.0000 1230000000.0000 893000000.0000 1320000000.0000 1490000000.0000 1460000000.0000 1350000000.0000 1180000000.0000 D-(-)-ARABINOSE 9740000.0000 12400000.0000 14100000.0000 10800000.0000 17200000.0000 15800000.0000 15800000.0000 7030000.0000 14100000.0000 13500000.0000 12800000.0000 8270000.0000 8590000.0000 1600000.0000 6320000.0000 11400000.0000 13000000.0000 14300000.0000 17800000.0000 7540000.0000 21100000.0000 5710000.0000 10300000.0000 12500000.0000 7320000.0000 15400000.0000 6030000.0000 18200000.0000 5250000.0000 12900000.0000 4000000.0000 9850000.0000 3160000.0000 13100000.0000 12800000.0000 18000000.0000 8620000.0000 18900000.0000 7430000.0000 13700000.0000 7140000.0000 6930000.0000 16800000.0000 14600000.0000 11900000.0000 5350000.0000 8190000.0000 7100000.0000 14600000.0000 1400000.0000 19000000.0000 GLYCINE 3300000.0000 1020000.0000 1810000.0000 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9350000.0000 18200000.0000 9830000.0000 6390000.0000 24500000.0000 35600000.0000 7740000.0000 8920000.0000 13600000.0000 7310000.0000 11800000.0000 12700000.0000 8740000.0000 17700000.0000 8490000.0000 13300000.0000 9770000.0000 10100000.0000 13400000.0000 10700000.0000 138000000.0000 57600000.0000 7570000.0000 11100000.0000 11800000.0000 HYPOXANTHINE 48400.0000 301000.0000 116000.0000 91000000.0000 182000.0000 92100.0000 29100.0000 9400000.0000 522000.0000 3160000.0000 255000000.0000 1560000.0000 1560000.0000 238000.0000 9040.0000 12900.0000 595000.0000 155000.0000 55000.0000 71300.0000 308000.0000 9490.0000 451000.0000 1600000.0000 144000.0000 872000.0000 851000.0000 11400.0000 529000.0000 4040000.0000 113000.0000 79600.0000 77000.0000 188000.0000 186000.0000 1610000.0000 168000.0000 196000.0000 113000.0000 90100000.0000 3000.0000 353000.0000 1880000.0000 16100.0000 27200.0000 237000.0000 41200.0000 491000.0000 53100.0000 314000.0000 72600.0000 L-ARGININE 33700000.0000 44900000.0000 38600000.0000 55200000.0000 48400000.0000 39600000.0000 39700000.0000 34700000.0000 36400000.0000 30300000.0000 66600000.0000 26900000.0000 31500000.0000 42700000.0000 40800000.0000 43100000.0000 22600000.0000 38900000.0000 34300000.0000 25200000.0000 38800000.0000 44900000.0000 37200000.0000 27900000.0000 37700000.0000 38600000.0000 28600000.0000 49200000.0000 38700000.0000 32200000.0000 79600000.0000 36100000.0000 21800000.0000 37600000.0000 59700000.0000 33900000.0000 40800000.0000 35900000.0000 44700000.0000 53700000.0000 35300000.0000 28500000.0000 38200000.0000 42400000.0000 53500000.0000 28400000.0000 25100000.0000 33700000.0000 47100000.0000 37800000.0000 38700000.0000 L-CARNITINE 510000000.0000 670000000.0000 801000000.0000 431000000.0000 530000000.0000 295000000.0000 627000000.0000 438000000.0000 509000000.0000 600000000.0000 370000000.0000 484000000.0000 379000000.0000 748000000.0000 406000000.0000 617000000.0000 551000000.0000 526000000.0000 574000000.0000 477000000.0000 655000000.0000 462000000.0000 799000000.0000 418000000.0000 249000000.0000 464000000.0000 784000000.0000 573000000.0000 522000000.0000 577000000.0000 458000000.0000 612000000.0000 771000000.0000 576000000.0000 232000000.0000 728000000.0000 576000000.0000 593000000.0000 446000000.0000 313000000.0000 419000000.0000 497000000.0000 372000000.0000 500000000.0000 389000000.0000 314000000.0000 667000000.0000 539000000.0000 688000000.0000 496000000.0000 376000000.0000 LEUCINE 3210000000.0000 3310000000.0000 3200000000.0000 2740000000.0000 2870000000.0000 2680000000.0000 2760000000.0000 2390000000.0000 2030000000.0000 2640000000.0000 2710000000.0000 2080000000.0000 2860000000.0000 3510000000.0000 3630000000.0000 1780000000.0000 3140000000.0000 2410000000.0000 2210000000.0000 2290000000.0000 2730000000.0000 3600000000.0000 2520000000.0000 1960000000.0000 2250000000.0000 3320000000.0000 2940000000.0000 3660000000.0000 2830000000.0000 2820000000.0000 3900000000.0000 1660000000.0000 2180000000.0000 3070000000.0000 2790000000.0000 2600000000.0000 1220000000.0000 2900000000.0000 3650000000.0000 2640000000.0000 2450000000.0000 2400000000.0000 3190000000.0000 4050000000.0000 3760000000.0000 1670000000.0000 2850000000.0000 2710000000.0000 3110000000.0000 2790000000.0000 2440000000.0000 L-GLUTAMINE 171000000.0000 104000000.0000 158000000.0000 119000000.0000 142000000.0000 111000000.0000 100000000.0000 111000000.0000 139000000.0000 136000000.0000 108000000.0000 131000000.0000 98300000.0000 119000000.0000 127000000.0000 131000000.0000 121000000.0000 133000000.0000 80200000.0000 94300000.0000 113000000.0000 103000000.0000 91900000.0000 119000000.0000 131000000.0000 127000000.0000 110000000.0000 145000000.0000 132000000.0000 130000000.0000 165000000.0000 147000000.0000 111000000.0000 121000000.0000 125000000.0000 120000000.0000 138000000.0000 92800000.0000 126000000.0000 133000000.0000 119000000.0000 127000000.0000 99800000.0000 140000000.0000 171000000.0000 81900000.0000 119000000.0000 141000000.0000 173000000.0000 93400000.0000 87600000.0000 L-HISTIDINE 53800000.0000 49800000.0000 58400000.0000 50200000.0000 53200000.0000 54500000.0000 44100000.0000 39200000.0000 53700000.0000 36600000.0000 50700000.0000 40800000.0000 37900000.0000 45700000.0000 43000000.0000 59400000.0000 45800000.0000 41000000.0000 38100000.0000 42200000.0000 57600000.0000 37900000.0000 43900000.0000 38200000.0000 46400000.0000 54200000.0000 48800000.0000 45700000.0000 63400000.0000 51200000.0000 59100000.0000 57500000.0000 47000000.0000 38200000.0000 43200000.0000 47100000.0000 51100000.0000 35900000.0000 46000000.0000 53800000.0000 56500000.0000 49800000.0000 45000000.0000 49900000.0000 70000000.0000 33300000.0000 41000000.0000 47400000.0000 65500000.0000 46100000.0000 43100000.0000 L-ORNITHINE 480000.0000 433000.0000 439000.0000 738000.0000 738000.0000 289000.0000 368000.0000 574000.0000 446000.0000 154000.0000 835000.0000 197000.0000 293000.0000 1040000.0000 525000.0000 433000.0000 189000.0000 446000.0000 258000.0000 234000.0000 385000.0000 437000.0000 330000.0000 181000.0000 543000.0000 535000.0000 435000.0000 445000.0000 456000.0000 206000.0000 1320000.0000 164000.0000 331000.0000 270000.0000 472000.0000 260000.0000 190000.0000 276000.0000 458000.0000 828000.0000 293000.0000 422000.0000 346000.0000 110000.0000 571000.0000 273000.0000 274000.0000 348000.0000 496000.0000 541000.0000 165000.0000 L-PROLINE 482000000.0000 415000000.0000 354000000.0000 624000000.0000 820000000.0000 472000000.0000 477000000.0000 517000000.0000 531000000.0000 466000000.0000 615000000.0000 565000000.0000 355000000.0000 557000000.0000 566000000.0000 661000000.0000 235000000.0000 749000000.0000 376000000.0000 332000000.0000 339000000.0000 422000000.0000 323000000.0000 287000000.0000 438000000.0000 427000000.0000 510000000.0000 426000000.0000 538000000.0000 468000000.0000 969000000.0000 226000000.0000 644000000.0000 278000000.0000 610000000.0000 360000000.0000 563000000.0000 320000000.0000 718000000.0000 461000000.0000 506000000.0000 413000000.0000 579000000.0000 416000000.0000 431000000.0000 287000000.0000 404000000.0000 411000000.0000 566000000.0000 448000000.0000 608000000.0000 L-THREONINE 57000000.0000 84800000.0000 83000000.0000 63200000.0000 66200000.0000 77900000.0000 79900000.0000 65200000.0000 49100000.0000 42000000.0000 37000000.0000 39700000.0000 40000000.0000 68800000.0000 52900000.0000 67400000.0000 47100000.0000 61300000.0000 59100000.0000 44200000.0000 97500000.0000 76100000.0000 49600000.0000 61500000.0000 52500000.0000 87100000.0000 129000000.0000 60100000.0000 100000000.0000 95700000.0000 69400000.0000 43100000.0000 66600000.0000 49700000.0000 60500000.0000 83100000.0000 75600000.0000 41800000.0000 92900000.0000 63200000.0000 56100000.0000 49100000.0000 66600000.0000 93900000.0000 90300000.0000 41500000.0000 62600000.0000 49100000.0000 103000000.0000 68900000.0000 69400000.0000 MANNOSE 1190000000.0000 886000000.0000 950000000.0000 829000000.0000 1050000000.0000 860000000.0000 1000000000.0000 1010000000.0000 944000000.0000 833000000.0000 890000000.0000 964000000.0000 964000000.0000 987000000.0000 1080000000.0000 1080000000.0000 973000000.0000 911000000.0000 850000000.0000 965000000.0000 1070000000.0000 880000000.0000 814000000.0000 818000000.0000 849000000.0000 818000000.0000 796000000.0000 1280000000.0000 1010000000.0000 893000000.0000 866000000.0000 1070000000.0000 833000000.0000 892000000.0000 876000000.0000 834000000.0000 898000000.0000 1020000000.0000 934000000.0000 875000000.0000 830000000.0000 1090000000.0000 949000000.0000 878000000.0000 1040000000.0000 743000000.0000 915000000.0000 1020000000.0000 814000000.0000 815000000.0000 849000000.0000 METHYL BETA-D-GALACTOSIDE 2960000.0000 4950000.0000 567000.0000 456000.0000 12400000.0000 2220000.0000 1940000.0000 878000.0000 551000.0000 906000.0000 498000.0000 2030000.0000 753000.0000 11600000.0000 633000.0000 898000.0000 1360000.0000 669000.0000 688000.0000 443000.0000 1470000.0000 1190000.0000 696000.0000 1470000.0000 787000.0000 2510000.0000 596000.0000 10500000.0000 6880000.0000 1590000.0000 2740000.0000 334000.0000 782000.0000 708000.0000 780000.0000 4480000.0000 1010000.0000 8610000.0000 1310000.0000 341000.0000 617000.0000 969000.0000 2090000.0000 1220000.0000 963000.0000 628000.0000 887000.0000 422000.0000 2470000.0000 327000.0000 3320000.0000 METHYL INDOLE-3-ACETATE 190000000.0000 39600000.0000 143000000.0000 79400000.0000 56000000.0000 189000000.0000 26200000.0000 42100000.0000 196000000.0000 32900000.0000 69600000.0000 36700000.0000 37000000.0000 54800000.0000 31200000.0000 89500000.0000 92700000.0000 34300000.0000 18400000.0000 46700000.0000 122000000.0000 32600000.0000 121000000.0000 54500000.0000 98800000.0000 27100000.0000 35400000.0000 43700000.0000 108000000.0000 17800000.0000 45700000.0000 188000000.0000 98800000.0000 44600000.0000 53900000.0000 19200000.0000 13000000.0000 53900000.0000 77800000.0000 164000000.0000 125000000.0000 165000000.0000 38500000.0000 141000000.0000 130000000.0000 30000000.0000 49700000.0000 67500000.0000 138000000.0000 68000000.0000 42500000.0000 N-ACETYLGLYCINE 9230000.0000 3920000.0000 5930000.0000 7540000.0000 6120000.0000 6310000.0000 4980000.0000 7340000.0000 5240000.0000 5490000.0000 7860000.0000 5830000.0000 8940000.0000 6030000.0000 9230000.0000 7620000.0000 6390000.0000 3930000.0000 6800000.0000 8460000.0000 5580000.0000 14000000.0000 7930000.0000 6770000.0000 4770000.0000 6060000.0000 6380000.0000 5940000.0000 4870000.0000 3740000.0000 5950000.0000 7610000.0000 6190000.0000 4200000.0000 6120000.0000 3180000.0000 5500000.0000 4920000.0000 12800000.0000 7820000.0000 6220000.0000 7300000.0000 3220000.0000 7060000.0000 7630000.0000 5930000.0000 15400000.0000 6800000.0000 6060000.0000 4690000.0000 4580000.0000 N-ACETYLPUTRESCINE 1050000.0000 450000.0000 985000.0000 200000.0000 1030000.0000 1260000.0000 691000.0000 427000.0000 267000.0000 900000.0000 1120000.0000 878000.0000 1070000.0000 1880000.0000 396000.0000 1400000.0000 770000.0000 1220000.0000 1180000.0000 1040000.0000 545000.0000 854000.0000 1120000.0000 702000.0000 643000.0000 948000.0000 825000.0000 707000.0000 1140000.0000 1160000.0000 715000.0000 1140000.0000 1190000.0000 764000.0000 1090000.0000 636000.0000 989000.0000 831000.0000 1040000.0000 776000.0000 997000.0000 1490000.0000 645000.0000 635000.0000 1920000.0000 257000.0000 1110000.0000 1160000.0000 1820000.0000 1040000.0000 611000.0000 NICOTINAMIDE 105000000.0000 51500000.0000 85200000.0000 83000000.0000 62800000.0000 85400000.0000 113000000.0000 110000000.0000 72400000.0000 48300000.0000 93800000.0000 56900000.0000 63000000.0000 105000000.0000 125000000.0000 66000000.0000 56600000.0000 78500000.0000 92000000.0000 115000000.0000 68500000.0000 131000000.0000 76400000.0000 144000000.0000 80300000.0000 95100000.0000 65300000.0000 132000000.0000 62600000.0000 88800000.0000 87200000.0000 82100000.0000 75600000.0000 39700000.0000 65200000.0000 84100000.0000 55800000.0000 121000000.0000 57100000.0000 73400000.0000 61600000.0000 109000000.0000 47600000.0000 86800000.0000 123000000.0000 59100000.0000 57100000.0000 93000000.0000 104000000.0000 60600000.0000 111000000.0000 N-METHYL-D-ASPARTIC ACID 7240000.0000 7160000.0000 6920000.0000 12000000.0000 5600000.0000 6450000.0000 1960000.0000 8540000.0000 6540000.0000 7820000.0000 16100000.0000 5960000.0000 7110000.0000 6320000.0000 5630000.0000 6560000.0000 8930000.0000 6930000.0000 1840000.0000 17000000.0000 7800000.0000 1470000.0000 6590000.0000 7450000.0000 7010000.0000 6710000.0000 7280000.0000 8660000.0000 6730000.0000 7680000.0000 7320000.0000 6530000.0000 5150000.0000 7590000.0000 6960000.0000 7200000.0000 2130000.0000 5420000.0000 7180000.0000 11000000.0000 6420000.0000 4860000.0000 7810000.0000 6820000.0000 7460000.0000 5200000.0000 6450000.0000 5970000.0000 7360000.0000 5310000.0000 1720000.0000 PIPECOLATE 126000000.0000 152000000.0000 93900000.0000 196000000.0000 240000000.0000 114000000.0000 92300000.0000 165000000.0000 176000000.0000 260000000.0000 173000000.0000 286000000.0000 154000000.0000 122000000.0000 189000000.0000 333000000.0000 76800000.0000 673000000.0000 207000000.0000 338000000.0000 87300000.0000 78600000.0000 76300000.0000 69200000.0000 167000000.0000 91500000.0000 489000000.0000 156000000.0000 129000000.0000 274000000.0000 237000000.0000 356000000.0000 165000000.0000 78300000.0000 104000000.0000 75500000.0000 261000000.0000 97900000.0000 308000000.0000 249000000.0000 680000000.0000 70500000.0000 271000000.0000 87300000.0000 74400000.0000 95300000.0000 68400000.0000 271000000.0000 262000000.0000 833000000.0000 301000000.0000 TAURINE 370000.0000 1190000.0000 1190000.0000 4710000.0000 1140000.0000 723000.0000 884000.0000 447000.0000 1080000.0000 583000.0000 4650000.0000 449000.0000 1120000.0000 1080000.0000 2510000.0000 4960000.0000 337000.0000 1600000.0000 727000.0000 1070000.0000 914000.0000 986000.0000 972000.0000 363000.0000 1470000.0000 650000.0000 808000.0000 860000.0000 928000.0000 522000.0000 1920000.0000 3000000.0000 2230000.0000 987000.0000 1600000.0000 447000.0000 4080000.0000 2380000.0000 587000.0000 5520000.0000 1570000.0000 1150000.0000 303000.0000 1580000.0000 1190000.0000 151000.0000 1150000.0000 1220000.0000 734000.0000 1430000.0000 1890000.0000 Tryptophan-2_3_3-D3 112000000.0000 79400000.0000 126000000.0000 98100000.0000 137000000.0000 96000000.0000 103000000.0000 98300000.0000 100000000.0000 54000000.0000 77200000.0000 60400000.0000 77600000.0000 85000000.0000 109000000.0000 95300000.0000 82500000.0000 88600000.0000 72300000.0000 98900000.0000 81400000.0000 126000000.0000 64700000.0000 56000000.0000 90500000.0000 75500000.0000 62700000.0000 101000000.0000 84100000.0000 64200000.0000 163000000.0000 89400000.0000 105000000.0000 70400000.0000 105000000.0000 74500000.0000 76800000.0000 82700000.0000 74000000.0000 88000000.0000 81600000.0000 109000000.0000 75200000.0000 77500000.0000 104000000.0000 67800000.0000 94600000.0000 103000000.0000 78900000.0000 93800000.0000 105000000.0000 UROCANATE 1220000.0000 14200000.0000 1050000.0000 25000000.0000 979000.0000 1250000.0000 1360000.0000 1240000.0000 1680000.0000 1920000.0000 32800000.0000 990000.0000 2300000.0000 1300000.0000 1110000.0000 663000.0000 1750000.0000 1910000.0000 1420000.0000 1190000.0000 14000000.0000 16000000.0000 11800000.0000 844000.0000 2050000.0000 14000000.0000 1520000.0000 1180000.0000 1260000.0000 2940000.0000 13600000.0000 1020000.0000 1590000.0000 1030000.0000 1300000.0000 15300000.0000 662000.0000 1280000.0000 12600000.0000 15500000.0000 1340000.0000 1500000.0000 1550000.0000 1930000.0000 1800000.0000 1440000.0000 1500000.0000 1580000.0000 18900000.0000 1690000.0000 1190000.0000 2-DEOXYGUANOSINE 3.85E+03 5.08E+03 2.11E+07 9.59E+06 2.05E+04 1.13E+03 6.78E+03 1.46E+03 3.36E+03 8.34E+03 2.15E+03 2.28E+03 1.11E+03 9.28E+03 3.55E+03 3.17E+04 1.05E+04 4.13E+03 4.07E+04 2.71E+03 8.57E+04 1.57E+06 1.82E+03 3.05E+03 830 2.85E+03 6.04E+03 2.76E+03 9.00E+03 7.17E+03 7.44E+03 2.62E+05 3.54E+03 2.00E+04 3.09E+03 1.11E+03 2.51E+03 2.16E+03 8.36E+03 3.06E+04 2.57E+03 1.38E+03 3.32E+04 3.38E+03 6.67E+03 1.91E+04 1.95E+03 1.16E+04 6.89E+06 1.14E+04 9.29E+03 5,6-DIHYDROURACIL 1.44E+07 1.94E+07 1.49E+07 2.14E+07 2.78E+07 1.86E+07 2.47E+07 1.43E+07 1.86E+07 2.73E+07 1.25E+07 2.05E+07 1.56E+07 1.53E+07 1.87E+07 2.73E+07 1.75E+07 2.58E+07 2.12E+07 1.78E+07 1.96E+07 1.46E+07 1.29E+07 1.72E+07 9.71E+06 1.25E+07 2.58E+07 2.24E+07 1.37E+07 1.69E+07 1.56E+07 1.26E+07 1.49E+07 1.91E+07 1.58E+07 1.50E+07 1.72E+07 1.23E+07 1.77E+07 1.43E+07 1.52E+07 1.77E+07 1.80E+07 1.66E+07 1.56E+07 1.58E+07 1.98E+07 1.68E+07 1.92E+07 1.77E+07 1.89E+07 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-AMINOPHENOL 110.0606 1.87 UFLORIDA_MS_RI 491 C01987 UFLORIDA_FEATURE 2'-DEOXYGUANOSINE 268.1039 6.08 UFLORIDA_MS_RI 187790 C00330 UFLORIDA_FEATURE 3-UREIDOPROPIONATE 133.0610 1.35 UFLORIDA_MS_RI 111 C02642 UFLORIDA_FEATURE 4-AMINOBUTANOATE 104.0713 0.86 UFLORIDA_MS_RI 119 C00334 UFLORIDA_FEATURE 4-GUANIDINOBUTANOATE 146.0927 1.66 UFLORIDA_MS_RI 500 C01035 UFLORIDA_FEATURE 4-IMIDAZOLEACETIC ACID 127.0504 1.11 UFLORIDA_MS_RI 96215 C02835 UFLORIDA_FEATURE 5,6-DIHYDROURACIL 115.0507 1.43 UFLORIDA_MS_RI 649 C00429 UFLORIDA_FEATURE 5-AMINOLEVULINIC ACID 130.0509 0.81 UFLORIDA_MS_RI 137 C00430 UFLORIDA_FEATURE 5-AMINOPENTANOATE 118.0868 1.21 UFLORIDA_MS_RI 138 C00431 UFLORIDA_FEATURE 5-METHYLCYTOSINE HYDROCLORIDE 126.0666 1.14 UFLORIDA_MS_RI 65040 C02376 UFLORIDA_FEATURE 6-DEOXY-L-GALACTOSE 187.0580 0.93 UFLORIDA_MS_RI 19466 C01018 UFLORIDA_FEATURE ADENINE 136.0621 1.57 UFLORIDA_MS_RI 190 C00147 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 BETA-ALANINE 88.0399 0.79 UFLORIDA_MS_RI 239 C00099 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-(-)-ARABINOSE 173.0426 0.81 UFLORIDA_MS_RI 66308 UFLORIDA_FEATURE GLYCINE 76.0401 0.78 UFLORIDA_MS_RI 750 C00037 UFLORIDA_FEATURE GUANIDINOACETATE 118.0611 0.86 UFLORIDA_MS_RI 763 C00581 UFLORIDA_FEATURE HYPOXANTHINE 135.0308 2.05 UFLORIDA_MS_RI 790 C00262 UFLORIDA_FEATURE L-ARGININE 175.1191 0.78 UFLORIDA_MS_RI 6322 C00062 UFLORIDA_FEATURE L-CARNITINE 162.1126 1.03 UFLORIDA_MS_RI 288 UFLORIDA_FEATURE LEUCINE 130.0874 2.6 UFLORIDA_MS_RI 6106 C00123 UFLORIDA_FEATURE L-GLUTAMINE 145.0616 0.79 UFLORIDA_MS_RI 5961 C00064 UFLORIDA_FEATURE L-HISTIDINE 156.0769 0.78 UFLORIDA_MS_RI 6274 C00135 UFLORIDA_FEATURE L-ORNITHINE 133.0976 0.68 UFLORIDA_MS_RI 6262 C00077 UFLORIDA_FEATURE L-PROLINE 116.0712 0.82 UFLORIDA_MS_RI 145742 C00148 UFLORIDA_FEATURE L-THREONINE 118.0510 0.8 UFLORIDA_MS_RI 6288 C00188 UFLORIDA_FEATURE MANNOSE 203.0526 0.77 UFLORIDA_MS_RI 18950 C00159 UFLORIDA_FEATURE METHYL BETA-D-GALACTOSIDE 217.0685 1.00 UFLORIDA_MS_RI 94214 C03619 UFLORIDA_FEATURE METHYL INDOLE-3-ACETATE 190.0863 10.70 UFLORIDA_MS_RI 74706 UFLORIDA_FEATURE N-ACETYLGLYCINE 116.0352 1.14 UFLORIDA_MS_RI 10972 UFLORIDA_FEATURE N-ACETYLPUTRESCINE 131.1181 1.12 UFLORIDA_MS_RI 122356 C02714 UFLORIDA_FEATURE NICOTINAMIDE 123.0558 1.75 UFLORIDA_MS_RI 936 C00153 UFLORIDA_FEATURE N-METHYL-D-ASPARTIC ACID 146.0458 0.84 UFLORIDA_MS_RI 22880 C12269 UFLORIDA_FEATURE PIPECOLATE 130.0867 1.36 UFLORIDA_MS_RI 849 C00408 UFLORIDA_FEATURE TAURINE 124.0075 0.78 UFLORIDA_MS_RI 1123 C00245 UFLORIDA_FEATURE Tryptophan-2,3,3-D3 208.1161 6.44 UFLORIDA_MS_RI UFLORIDA_FEATURE UROCANATE 139.0504 2.03 UFLORIDA_MS_RI 1549103 UFLORIDA_FEATURE 2^-DEOXYGUANOSINE 5_6-DIHYDROURACIL Tryptophan-2_3_3-D3 2-DEOXYGUANOSINE 2-DEOXYGUANOSINE 6.08 METABOLITES_END #END