#METABOLOMICS WORKBENCH amitch_20150825_9865921_mwtab.txt DATATRACK_ID:350 STUDY_ID:ST000235 ANALYSIS_ID:AN000353 PROJECT_ID:PR000188 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Nicotine alters brain oxidative metabolism PR:PROJECT_TYPE Pilot PR:PROJECT_SUMMARY Nicotine addiction through the use of cigarettes is the most common form of PR:PROJECT_SUMMARY dependency in the United States. Despite global warnings and awareness of the PR:PROJECT_SUMMARY effects of smoking on health, smoking-derived nicotine dependence makes it very PR:PROJECT_SUMMARY to relinquish the habit. Unfortunately, nicotine exposure makes females more PR:PROJECT_SUMMARY to ischemic neurodegeneration. Moreover, this susceptibility is enhanced when PR:PROJECT_SUMMARY with oral contraceptives. Usually, women initiate nicotine usage during their PR:PROJECT_SUMMARY the period of life when one also is likely to get sexually active and also PR:PROJECT_SUMMARY to use oral contraceptives. The underlying mechanisms responsible for the PR:PROJECT_SUMMARY neurodegeneration due to the long exposure of nicotine and oral contraceptives PR:PROJECT_SUMMARY not known. Our published studies showed that nicotine toxicity is PR:PROJECT_SUMMARY by oral contraceptives via altered mitochondrial function and increased PR:PROJECT_SUMMARY oxygen species production in the hippocampus of female rats. This mitochondrial PR:PROJECT_SUMMARY involved a defect on the enzymatic activity of the terminal enzyme of the PR:PROJECT_SUMMARY transport chain (complex IV) as a consequence of an impaired biogenesis. PR:PROJECT_SUMMARY how this mitochondrial impairment impacts the overall brain metabolism remains PR:PROJECT_SUMMARY be investigated. To understand the overall effect of nicotine on the brain PR:PROJECT_SUMMARY and the mechanisms responsible for the enhanced toxicity of nicotine when PR:PROJECT_SUMMARY with oral contraceptives, we propose two specific aims. We will investigate the PR:PROJECT_SUMMARY profile of brains (hippocampus) of female rats treated with nicotine alone or PR:PROJECT_SUMMARY combination with oral contraceptives. We will also determine the effect on the PR:PROJECT_SUMMARY and steady-state levels of key regulatory metabolic enzymes. We will use an PR:PROJECT_SUMMARY rat animal model mimicking conditions of nicotine exposure produced by PR:PROJECT_SUMMARY smoking and simulating conditions of oral contraceptives usage taking in PR:PROJECT_SUMMARY hormonal cycles in women. Discerning the exact effects of nicotine and its PR:PROJECT_SUMMARY with oral contraceptives on overall brain metabolisms at different ages will PR:PROJECT_SUMMARY a new window for future therapeutic intervention. This intervention will reduce PR:PROJECT_SUMMARY susceptibility to neurodegenerative conditions in women trying to give up PR:PROJECT_SUMMARY addiction. PR:INSTITUTE Univeresiy of Miami PR:DEPARTMENT Neurology PR:LABORATORY CVDRC PR:LAST_NAME Raval PR:FIRST_NAME Ami PR:ADDRESS 1420 Nw, 9th Ave, Miami, FL -33136 PR:EMAIL araval@med.miami.edu PR:PHONE 305-243-7491 PR:FUNDING_SOURCE AHA #STUDY ST:STUDY_TITLE Sprague Dawley rats Nicotine alters brain oxidative metabolism ST:STUDY_SUMMARY Adult (14 weeks old) Sprague-Dawley rats showing at least three consecutive ST:STUDY_SUMMARY periods (4 day) of estrous cycles were randomly assigned to four groups: 1: ST:STUDY_SUMMARY 2: nicotine (6 mg/kg), 3: OC and 4: nicotine (6 mg/kg) + OC. Rats were exposed ST:STUDY_SUMMARY these treatments for a month. At the end of treatments, hippocampus was ST:STUDY_SUMMARY immediately frozen in liquid nitrogen. We are sending one side of hippocampi to ST:STUDY_SUMMARY Center for Integrated Metabolomics for analysis at the University of Florida. ST:INSTITUTE University of Florida ST:DEPARTMENT SECIM ST:LAST_NAME Garrett ST:FIRST_NAME Tim ST:ADDRESS 2004 Mowry Road ST:EMAIL tgarrett@ufl.edu ST:PHONE 3526279177 ST:TOTAL_SUBJECTS 32 ST:STUDY_COMMENTS Saline, Nicotine, Oral contraceptives, Nicotine + oral contraceptives #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 SU:GENOTYPE_STRAIN Sprague-Dawley SU:AGE_OR_AGE_RANGE 14 weeks #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 10N Treatment:Nicotine | Dosage:6mg/kg SUBJECT_SAMPLE_FACTORS - 11N Treatment:Nicotine | Dosage:6mg/kg SUBJECT_SAMPLE_FACTORS - 12N Treatment:Nicotine | Dosage:6mg/kg SUBJECT_SAMPLE_FACTORS - 13N Treatment:Nicotine | Dosage:6mg/kg SUBJECT_SAMPLE_FACTORS - 14N Treatment:Nicotine | Dosage:6mg/kg SUBJECT_SAMPLE_FACTORS - 15N Treatment:Nicotine | Dosage:6mg/kg SUBJECT_SAMPLE_FACTORS - 16N Treatment:Nicotine | Dosage:6mg/kg SUBJECT_SAMPLE_FACTORS - 9N Treatment:Nicotine | Dosage:6mg/kg SUBJECT_SAMPLE_FACTORS - 25NOC Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine SUBJECT_SAMPLE_FACTORS - 26NOC Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine SUBJECT_SAMPLE_FACTORS - 27NOC Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine SUBJECT_SAMPLE_FACTORS - 28NOC Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine SUBJECT_SAMPLE_FACTORS - 29NOC Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine SUBJECT_SAMPLE_FACTORS - 30NOC Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine SUBJECT_SAMPLE_FACTORS - 31NOC Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine SUBJECT_SAMPLE_FACTORS - 32NOC Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine SUBJECT_SAMPLE_FACTORS - 17OC Treatment:Oral contraceptives | Dosage:1 mL SUBJECT_SAMPLE_FACTORS - 18OC Treatment:Oral contraceptives | Dosage:1 mL SUBJECT_SAMPLE_FACTORS - 19OC Treatment:Oral contraceptives | Dosage:1 mL SUBJECT_SAMPLE_FACTORS - 20OC Treatment:Oral contraceptives | Dosage:1 mL SUBJECT_SAMPLE_FACTORS - 21OC Treatment:Oral contraceptives | Dosage:1 mL SUBJECT_SAMPLE_FACTORS - 22OC Treatment:Oral contraceptives | Dosage:1 mL SUBJECT_SAMPLE_FACTORS - 23OC Treatment:Oral contraceptives | Dosage:1 mL SUBJECT_SAMPLE_FACTORS - 24OC Treatment:Oral contraceptives | Dosage:1 mL SUBJECT_SAMPLE_FACTORS - 1S Treatment:Saline | Dosage:2 mL SUBJECT_SAMPLE_FACTORS - 2S Treatment:Saline | Dosage:2 mL SUBJECT_SAMPLE_FACTORS - 3S Treatment:Saline | Dosage:2 mL SUBJECT_SAMPLE_FACTORS - 4S Treatment:Saline | Dosage:2 mL SUBJECT_SAMPLE_FACTORS - 5S Treatment:Saline | Dosage:2 mL SUBJECT_SAMPLE_FACTORS - 6S Treatment:Saline | Dosage:2 mL SUBJECT_SAMPLE_FACTORS - 7S Treatment:Saline | Dosage:2 mL SUBJECT_SAMPLE_FACTORS - 8S Treatment:Saline | Dosage:2 mL #COLLECTION CO:COLLECTION_SUMMARY At the end of treatments, hippocampus was obtained and immediately frozen in CO:COLLECTION_SUMMARY nitrogen #TREATMENT TR:TREATMENT_SUMMARY Rats were exposed to the four treatments saline, nicotine, oral TR:TREATMENT_SUMMARY and nicotine + oral contraceptives for a month. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Rat_brain_tissue_prep.pdf SP:SAMPLEPREP_PROTOCOL_COMMENTS Appendix C - Protein and 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 10N 11N 12N 13N 14N 15N 16N 9N 25NOC 26NOC 27NOC 28NOC 29NOC 30NOC 31NOC 32NOC 17OC 18OC 19OC 20OC 21OC 22OC 23OC 24OC 1S 2S 3S 4S 5S 6S 8S Factors Treatment:Nicotine | Dosage:6mg/kg Treatment:Nicotine | Dosage:6mg/kg Treatment:Nicotine | Dosage:6mg/kg Treatment:Nicotine | Dosage:6mg/kg Treatment:Nicotine | Dosage:6mg/kg Treatment:Nicotine | Dosage:6mg/kg Treatment:Nicotine | Dosage:6mg/kg Treatment:Nicotine | Dosage:6mg/kg Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine Treatment:Oral contraceptives | Dosage:1 mL Treatment:Oral contraceptives | Dosage:1 mL Treatment:Oral contraceptives | Dosage:1 mL Treatment:Oral contraceptives | Dosage:1 mL Treatment:Oral contraceptives | Dosage:1 mL Treatment:Oral contraceptives | Dosage:1 mL Treatment:Oral contraceptives | Dosage:1 mL Treatment:Oral contraceptives | Dosage:1 mL Treatment:Saline | Dosage:2 mL Treatment:Saline | Dosage:2 mL Treatment:Saline | Dosage:2 mL Treatment:Saline | Dosage:2 mL Treatment:Saline | Dosage:2 mL Treatment:Saline | Dosage:2 mL Treatment:Saline | Dosage:2 mL 1_3-DIAMINOPROPANE 640000.0000 170000.0000 445000.0000 570000.0000 597000.0000 473000.0000 574000.0000 345000.0000 660000.0000 971000.0000 475000.0000 680000.0000 959000.0000 791000.0000 127000.0000 915000.0000 34000.0000 412000.0000 325000.0000 986000.0000 696000.0000 1090000.0000 759000.0000 1090000.0000 648000.0000 401000.0000 639000.0000 601000.0000 462000.0000 426000.0000 415000.0000 1-AMINOCYCLOPROPANE-1-CARBOXYLATE 101000000.0000 108000000.0000 117000000.0000 113000000.0000 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886000000.0000 887000000.0000 867000000.0000 844000000.0000 487000000.0000 739000000.0000 1090000000.0000 651000000.0000 801000000.0000 1140000000.0000 1190000000.0000 430000000.0000 896000000.0000 383000000.0000 760000000.0000 732000000.0000 1380000000.0000 889000000.0000 1120000000.0000 911000000.0000 1500000000.0000 1370000000.0000 663000000.0000 970000000.0000 644000000.0000 773000000.0000 783000000.0000 673000000.0000 5-OXO-L-PROLINE 824000000.0000 664000000.0000 711000000.0000 727000000.0000 696000000.0000 764000000.0000 824000000.0000 540000000.0000 542000000.0000 896000000.0000 522000000.0000 739000000.0000 663000000.0000 695000000.0000 364000000.0000 793000000.0000 323000000.0000 768000000.0000 755000000.0000 908000000.0000 690000000.0000 794000000.0000 671000000.0000 1020000000.0000 1200000000.0000 600000000.0000 1060000000.0000 752000000.0000 694000000.0000 828000000.0000 807000000.0000 ADENINE 305000000.0000 255000000.0000 354000000.0000 362000000.0000 408000000.0000 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6610000.0000 6770000.0000 3770000.0000 5810000.0000 3310000.0000 4160000.0000 7230000.0000 7520000.0000 7690000.0000 6780000.0000 8280000.0000 8900000.0000 7540000.0000 6440000.0000 38100000.0000 6620000.0000 6670000.0000 6640000.0000 6020000.0000 BETA-ALANINE 242000000.0000 198000000.0000 218000000.0000 212000000.0000 217000000.0000 201000000.0000 206000000.0000 170000000.0000 170000000.0000 212000000.0000 153000000.0000 195000000.0000 216000000.0000 218000000.0000 149000000.0000 206000000.0000 117000000.0000 184000000.0000 185000000.0000 248000000.0000 194000000.0000 226000000.0000 190000000.0000 249000000.0000 264000000.0000 193000000.0000 223000000.0000 255000000.0000 200000000.0000 201000000.0000 185000000.0000 Caffeine-D3 12700000.0000 13200000.0000 13000000.0000 13600000.0000 13600000.0000 12400000.0000 12900000.0000 13000000.0000 13600000.0000 12100000.0000 12400000.0000 13200000.0000 11600000.0000 11700000.0000 14200000.0000 12900000.0000 14100000.0000 13900000.0000 12900000.0000 11800000.0000 9860000.0000 11800000.0000 12900000.0000 11300000.0000 11300000.0000 12900000.0000 11200000.0000 12100000.0000 12700000.0000 12800000.0000 13400000.0000 CARNOSINE 1690000.0000 1700000.0000 1850000.0000 1310000.0000 2050000.0000 2230000.0000 1190000.0000 2050000.0000 4740000.0000 2900000.0000 2230000.0000 4390000.0000 3300000.0000 3220000.0000 1820000.0000 2620000.0000 2290000.0000 2010000.0000 1980000.0000 1560000.0000 2540000.0000 4150000.0000 3010000.0000 3220000.0000 1240000.0000 2700000.0000 1680000.0000 1770000.0000 1830000.0000 1110000.0000 1400000.0000 CITRULLINE 45500000.0000 31600000.0000 50500000.0000 33600000.0000 36100000.0000 29600000.0000 35200000.0000 29000000.0000 39400000.0000 52000000.0000 38600000.0000 39000000.0000 43400000.0000 55600000.0000 31500000.0000 36400000.0000 24300000.0000 39300000.0000 27900000.0000 77400000.0000 41300000.0000 67600000.0000 72300000.0000 104000000.0000 58700000.0000 33700000.0000 36900000.0000 25100000.0000 34700000.0000 27500000.0000 24800000.0000 CMP 4630000.0000 3780000.0000 5160000.0000 5190000.0000 4420000.0000 5030000.0000 5350000.0000 2150000.0000 3380000.0000 5750000.0000 3600000.0000 5740000.0000 7180000.0000 6600000.0000 3780000.0000 7370000.0000 1690000.0000 4510000.0000 4760000.0000 7330000.0000 6730000.0000 6060000.0000 3790000.0000 7320000.0000 7260000.0000 3290000.0000 6800000.0000 4850000.0000 4930000.0000 4770000.0000 3670000.0000 Creatine 12100000000.0000 11000000000.0000 12200000000.0000 12800000000.0000 13100000000.0000 12900000000.0000 12500000000.0000 8900000000.0000 9840000000.0000 12400000000.0000 9020000000.0000 11600000000.0000 13400000000.0000 12700000000.0000 9290000000.0000 13800000000.0000 6470000000.0000 10700000000.0000 10500000000.0000 14200000000.0000 12300000000.0000 12900000000.0000 10700000000.0000 13800000000.0000 15200000000.0000 10200000000.0000 14400000000.0000 11600000000.0000 11600000000.0000 12600000000.0000 11300000000.0000 Creatine-D3 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5300000.0000 4870000.0000 4690000.0000 2940000.0000 3770000.0000 4100000.0000 5610000.0000 4580000.0000 4020000.0000 D-RIBOSE 5-PHOSPHATE 107000.0000 182000.0000 30400.0000 379000.0000 289000.0000 177000.0000 130000.0000 755000.0000 808000.0000 65100.0000 351000.0000 92300.0000 70700.0000 111000.0000 1140000.0000 361000.0000 3700000.0000 155000.0000 159000.0000 86500.0000 294000.0000 212000.0000 176000.0000 42800.0000 275000.0000 282000.0000 139000.0000 89400.0000 93900.0000 376000.0000 306000.0000 ETHANOLAMINE PHOSPHATE 15900000.0000 15900000.0000 17200000.0000 15800000.0000 16700000.0000 17600000.0000 16500000.0000 14100000.0000 13800000.0000 14900000.0000 13800000.0000 17100000.0000 17400000.0000 16500000.0000 14700000.0000 18200000.0000 13600000.0000 16500000.0000 17100000.0000 16400000.0000 15500000.0000 14400000.0000 15800000.0000 17100000.0000 19500000.0000 16500000.0000 17900000.0000 16500000.0000 17300000.0000 17300000.0000 17200000.0000 Glutamine 1250000000.0000 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13200000.0000 13300000.0000 13800000.0000 15400000.0000 18000000.0000 13100000.0000 14000000.0000 15500000.0000 15600000.0000 9670000.0000 12300000.0000 9890000.0000 13200000.0000 13800000.0000 18700000.0000 14600000.0000 19200000.0000 16800000.0000 18700000.0000 16700000.0000 14100000.0000 15000000.0000 16500000.0000 14000000.0000 13900000.0000 13600000.0000 HYPOXANTHINE 3760000000.0000 3920000000.0000 4380000000.0000 4490000000.0000 4370000000.0000 4360000000.0000 4520000000.0000 2750000000.0000 3360000000.0000 4970000000.0000 3310000000.0000 4440000000.0000 5060000000.0000 4780000000.0000 3160000000.0000 4930000000.0000 1880000000.0000 4290000000.0000 4020000000.0000 5440000000.0000 4230000000.0000 4770000000.0000 4280000000.0000 5830000000.0000 6060000000.0000 3500000000.0000 4890000000.0000 3450000000.0000 3850000000.0000 4120000000.0000 3740000000.0000 L-ALLOTHREONINE 4370000.0000 3380000.0000 4130000.0000 3220000.0000 2870000.0000 3600000.0000 3530000.0000 2860000.0000 3960000.0000 6310000.0000 3450000.0000 4020000.0000 5760000.0000 5540000.0000 2610000.0000 4110000.0000 2440000.0000 3700000.0000 3560000.0000 5930000.0000 4140000.0000 5190000.0000 4350000.0000 7420000.0000 5610000.0000 3480000.0000 4940000.0000 3530000.0000 3760000.0000 3320000.0000 3150000.0000 L-ANSERINE 20600000.0000 18600000.0000 17700000.0000 16800000.0000 21800000.0000 20300000.0000 15300000.0000 18500000.0000 24600000.0000 24000000.0000 19100000.0000 20600000.0000 35300000.0000 32400000.0000 15800000.0000 26200000.0000 10300000.0000 21700000.0000 13300000.0000 25400000.0000 20900000.0000 32900000.0000 27600000.0000 24500000.0000 17700000.0000 24400000.0000 18700000.0000 17400000.0000 23000000.0000 21000000.0000 14000000.0000 L-ARGININE 482000000.0000 365000000.0000 501000000.0000 419000000.0000 428000000.0000 402000000.0000 388000000.0000 377000000.0000 636000000.0000 651000000.0000 503000000.0000 525000000.0000 630000000.0000 699000000.0000 313000000.0000 546000000.0000 341000000.0000 437000000.0000 409000000.0000 801000000.0000 573000000.0000 825000000.0000 752000000.0000 857000000.0000 571000000.0000 382000000.0000 454000000.0000 362000000.0000 411000000.0000 416000000.0000 346000000.0000 L-ASPARAGINE 9650000.0000 11300000.0000 11200000.0000 8710000.0000 8950000.0000 9170000.0000 8790000.0000 7550000.0000 9350000.0000 9190000.0000 9430000.0000 8260000.0000 9570000.0000 10900000.0000 7260000.0000 8700000.0000 8070000.0000 8380000.0000 8820000.0000 11000000.0000 9000000.0000 10900000.0000 11000000.0000 11700000.0000 10700000.0000 9290000.0000 9470000.0000 7280000.0000 8620000.0000 9170000.0000 9190000.0000 L-ASPARTATE 150000000.0000 197000000.0000 183000000.0000 176000000.0000 171000000.0000 169000000.0000 199000000.0000 166000000.0000 284000000.0000 258000000.0000 239000000.0000 200000000.0000 243000000.0000 272000000.0000 201000000.0000 203000000.0000 162000000.0000 267000000.0000 239000000.0000 276000000.0000 223000000.0000 287000000.0000 303000000.0000 271000000.0000 193000000.0000 180000000.0000 184000000.0000 130000000.0000 172000000.0000 184000000.0000 202000000.0000 L-CARNITINE 372000000.0000 323000000.0000 404000000.0000 438000000.0000 381000000.0000 389000000.0000 421000000.0000 255000000.0000 371000000.0000 502000000.0000 369000000.0000 533000000.0000 529000000.0000 566000000.0000 278000000.0000 527000000.0000 232000000.0000 361000000.0000 459000000.0000 464000000.0000 505000000.0000 517000000.0000 451000000.0000 632000000.0000 525000000.0000 307000000.0000 578000000.0000 381000000.0000 390000000.0000 476000000.0000 336000000.0000 L-CYSTATHIONINE 471000.0000 212000.0000 463000.0000 84100.0000 291000.0000 177000.0000 511000.0000 308000.0000 613000.0000 774000.0000 306000.0000 465000.0000 959000.0000 335000.0000 252000.0000 920000.0000 365000.0000 189000.0000 309000.0000 504000.0000 510000.0000 681000.0000 741000.0000 462000.0000 87500.0000 192000.0000 355000.0000 210000.0000 79700.0000 330000.0000 106000.0000 LEUCINE 3310000000.0000 2810000000.0000 3770000000.0000 3340000000.0000 3230000000.0000 3270000000.0000 3140000000.0000 1990000000.0000 3260000000.0000 4650000000.0000 2770000000.0000 3440000000.0000 4830000000.0000 5010000000.0000 1760000000.0000 3840000000.0000 1530000000.0000 2860000000.0000 2980000000.0000 5990000000.0000 3790000000.0000 5050000000.0000 4040000000.0000 6810000000.0000 5310000000.0000 2440000000.0000 3700000000.0000 2330000000.0000 2930000000.0000 2920000000.0000 2490000000.0000 L-HISTIDINE 94600000.0000 77100000.0000 97700000.0000 76500000.0000 89600000.0000 82000000.0000 73600000.0000 73800000.0000 104000000.0000 111000000.0000 90800000.0000 93800000.0000 117000000.0000 132000000.0000 59400000.0000 97500000.0000 56600000.0000 85000000.0000 71700000.0000 136000000.0000 99300000.0000 143000000.0000 128000000.0000 163000000.0000 105000000.0000 84200000.0000 86100000.0000 69600000.0000 84300000.0000 78700000.0000 64800000.0000 L-LYSINE 95200000.0000 77600000.0000 100000000.0000 83300000.0000 90200000.0000 76300000.0000 64400000.0000 60500000.0000 113000000.0000 124000000.0000 102000000.0000 92400000.0000 137000000.0000 133000000.0000 50800000.0000 110000000.0000 54800000.0000 94400000.0000 99200000.0000 180000000.0000 122000000.0000 167000000.0000 143000000.0000 174000000.0000 129000000.0000 80800000.0000 98400000.0000 76200000.0000 80300000.0000 86400000.0000 77900000.0000 L-METHIONINE 844000000.0000 647000000.0000 935000000.0000 860000000.0000 792000000.0000 807000000.0000 771000000.0000 480000000.0000 800000000.0000 1140000000.0000 644000000.0000 814000000.0000 1210000000.0000 1190000000.0000 440000000.0000 1020000000.0000 349000000.0000 696000000.0000 750000000.0000 1470000000.0000 1000000000.0000 1310000000.0000 969000000.0000 1680000000.0000 1350000000.0000 625000000.0000 939000000.0000 658000000.0000 742000000.0000 728000000.0000 630000000.0000 L-ORNITHINE 4920000.0000 4460000.0000 5730000.0000 3850000.0000 4180000.0000 4230000.0000 4650000.0000 3530000.0000 4320000.0000 5830000.0000 6290000.0000 4830000.0000 5400000.0000 7530000.0000 1530000.0000 4380000.0000 1650000.0000 4210000.0000 4830000.0000 8510000.0000 3740000.0000 8020000.0000 7240000.0000 10600000.0000 5830000.0000 3250000.0000 4760000.0000 2560000.0000 5060000.0000 4860000.0000 4110000.0000 L-SERINE 41400000.0000 51600000.0000 47500000.0000 57600000.0000 42500000.0000 54300000.0000 51300000.0000 41100000.0000 56200000.0000 59300000.0000 43500000.0000 36700000.0000 58100000.0000 58300000.0000 44900000.0000 37000000.0000 40100000.0000 48300000.0000 48300000.0000 73600000.0000 39900000.0000 70400000.0000 69300000.0000 85700000.0000 72100000.0000 46800000.0000 56500000.0000 41700000.0000 36000000.0000 38800000.0000 46700000.0000 L-THREONINE 253000000.0000 209000000.0000 258000000.0000 206000000.0000 194000000.0000 208000000.0000 215000000.0000 162000000.0000 256000000.0000 318000000.0000 207000000.0000 241000000.0000 290000000.0000 303000000.0000 174000000.0000 234000000.0000 144000000.0000 219000000.0000 218000000.0000 329000000.0000 260000000.0000 303000000.0000 269000000.0000 382000000.0000 300000000.0000 216000000.0000 278000000.0000 220000000.0000 217000000.0000 204000000.0000 196000000.0000 MANNOSE 42300000.0000 47400000.0000 42900000.0000 45300000.0000 47000000.0000 49600000.0000 50800000.0000 43900000.0000 44700000.0000 48000000.0000 44500000.0000 42600000.0000 49400000.0000 49800000.0000 40100000.0000 47100000.0000 44800000.0000 33900000.0000 57900000.0000 49000000.0000 43600000.0000 51700000.0000 50000000.0000 47600000.0000 49100000.0000 43000000.0000 43300000.0000 46000000.0000 45700000.0000 48100000.0000 46700000.0000 N-ACETYL-D-GALACTOSAMINE 1260000.0000 922000.0000 1200000.0000 1220000.0000 1270000.0000 1050000.0000 1080000.0000 631000.0000 1040000.0000 906000.0000 610000.0000 881000.0000 1050000.0000 1070000.0000 1260000.0000 1120000.0000 805000.0000 227000.0000 1160000.0000 1040000.0000 1150000.0000 702000.0000 717000.0000 862000.0000 928000.0000 953000.0000 1130000.0000 1050000.0000 941000.0000 1130000.0000 1050000.0000 N-ACETYL-DL-GLUTAMIC ACID 3710000.0000 3750000.0000 4450000.0000 5250000.0000 4930000.0000 4740000.0000 4850000.0000 2810000.0000 3450000.0000 6030000.0000 3120000.0000 5020000.0000 6490000.0000 5770000.0000 2990000.0000 5790000.0000 1580000.0000 4040000.0000 4250000.0000 7430000.0000 6040000.0000 6710000.0000 3940000.0000 6310000.0000 6150000.0000 3270000.0000 5600000.0000 3980000.0000 4070000.0000 4190000.0000 4170000.0000 N-ACETYL-L-ALANINE 29200000.0000 17600000.0000 30600000.0000 25500000.0000 27200000.0000 21900000.0000 19900000.0000 22700000.0000 729000.0000 44700000.0000 808000.0000 38800000.0000 1230000.0000 49700000.0000 12100000.0000 1290000.0000 15400000.0000 20200000.0000 23600000.0000 66100000.0000 34800000.0000 48700000.0000 58500000.0000 68000000.0000 38800000.0000 794000.0000 29000000.0000 1040000.0000 22400000.0000 25600000.0000 15000000.0000 N-ACETYL-L-ASPARTIC ACID 1480000000.0000 1300000000.0000 1380000000.0000 1520000000.0000 1500000000.0000 1590000000.0000 1420000000.0000 939000000.0000 817000000.0000 1310000000.0000 836000000.0000 1170000000.0000 1400000000.0000 1100000000.0000 1230000000.0000 1470000000.0000 664000000.0000 1370000000.0000 1280000000.0000 1170000000.0000 1370000000.0000 1240000000.0000 818000000.0000 1140000000.0000 1920000000.0000 1160000000.0000 1770000000.0000 1540000000.0000 1410000000.0000 1480000000.0000 1340000000.0000 N-ACETYLNEURAMINATE 6780000.0000 6160000.0000 5970000.0000 5960000.0000 6470000.0000 6060000.0000 5560000.0000 5310000.0000 5510000.0000 5690000.0000 5220000.0000 5210000.0000 5550000.0000 5770000.0000 5190000.0000 5770000.0000 4550000.0000 5380000.0000 5070000.0000 5770000.0000 6860000.0000 6100000.0000 5610000.0000 5630000.0000 5790000.0000 5820000.0000 6940000.0000 5940000.0000 5780000.0000 6490000.0000 5960000.0000 NALPHA-ACETYL-L-LYSINE 5780000.0000 4800000.0000 3930000.0000 6000000.0000 6330000.0000 5670000.0000 5400000.0000 2490000.0000 6810000.0000 7160000.0000 4430000.0000 3960000.0000 12200000.0000 7180000.0000 3600000.0000 7610000.0000 1750000.0000 6590000.0000 7060000.0000 12200000.0000 9160000.0000 11400000.0000 8560000.0000 6670000.0000 8910000.0000 4800000.0000 7130000.0000 4730000.0000 4870000.0000 8240000.0000 5380000.0000 NEPSILON_NEPSILON_NEPSILON-TRIMETHYLLYSINE 15400000.0000 14800000.0000 15500000.0000 15400000.0000 13900000.0000 13300000.0000 17700000.0000 14900000.0000 10300000.0000 12900000.0000 12400000.0000 11800000.0000 17400000.0000 16800000.0000 10600000.0000 13100000.0000 6810000.0000 17700000.0000 14200000.0000 15000000.0000 11400000.0000 12800000.0000 13200000.0000 11800000.0000 16500000.0000 15700000.0000 12000000.0000 14400000.0000 10400000.0000 9640000.0000 9430000.0000 NICOTINAMIDE 1260000000.0000 1170000000.0000 1340000000.0000 1460000000.0000 1450000000.0000 1460000000.0000 1410000000.0000 837000000.0000 1160000000.0000 1720000000.0000 996000000.0000 1450000000.0000 1840000000.0000 1620000000.0000 962000000.0000 1870000000.0000 591000000.0000 1290000000.0000 1310000000.0000 1910000000.0000 1540000000.0000 1720000000.0000 1310000000.0000 1930000000.0000 1960000000.0000 999000000.0000 1690000000.0000 1220000000.0000 1190000000.0000 1330000000.0000 1200000000.0000 NICOTINATE 252000.0000 51400.0000 97700.0000 123000.0000 184000.0000 312000.0000 164000.0000 224000.0000 34700.0000 8090000.0000 387000.0000 532000.0000 56200.0000 61500.0000 41100.0000 22600.0000 159000.0000 73400.0000 82600.0000 589000.0000 37400.0000 26900.0000 63500.0000 55400.0000 483000.0000 108000.0000 8460000.0000 113000.0000 151000.0000 551000.0000 118000.0000 N(PAI)-METHYL-L-HISTIDINE 4730000.0000 6080000.0000 4800000.0000 6480000.0000 5870000.0000 5290000.0000 6410000.0000 4100000.0000 4560000.0000 5670000.0000 4570000.0000 7390000.0000 5660000.0000 5380000.0000 5230000.0000 5370000.0000 3520000.0000 7020000.0000 4490000.0000 5370000.0000 7160000.0000 4940000.0000 5380000.0000 5810000.0000 4610000.0000 7060000.0000 6620000.0000 6150000.0000 5000000.0000 3830000.0000 5060000.0000 O-ACETYL-L-SERINE 1460000000.0000 1330000000.0000 1310000000.0000 1440000000.0000 1430000000.0000 1460000000.0000 1380000000.0000 1240000000.0000 845000000.0000 853000000.0000 747000000.0000 892000000.0000 788000000.0000 885000000.0000 1380000000.0000 1080000000.0000 1080000000.0000 1360000000.0000 777000000.0000 808000000.0000 1060000000.0000 942000000.0000 983000000.0000 776000000.0000 1400000000.0000 1250000000.0000 1480000000.0000 1320000000.0000 1310000000.0000 1310000000.0000 1310000000.0000 O-PHOSPHO-DL-SERINE 5650000.0000 5370000.0000 5030000.0000 5750000.0000 6450000.0000 5970000.0000 5760000.0000 4170000.0000 3720000.0000 4600000.0000 3320000.0000 4290000.0000 4480000.0000 4540000.0000 5360000.0000 5250000.0000 3000000.0000 5820000.0000 3320000.0000 4030000.0000 4580000.0000 4410000.0000 4150000.0000 3540000.0000 6780000.0000 4860000.0000 6040000.0000 5410000.0000 5660000.0000 5620000.0000 5250000.0000 OROTIC ACID 791000.0000 589000.0000 622000.0000 408000.0000 276000.0000 601000.0000 425000.0000 767000.0000 403000.0000 605000.0000 894000.0000 961000.0000 695000.0000 1000000.0000 338000.0000 185000.0000 775000.0000 567000.0000 184000.0000 219000.0000 931000.0000 918000.0000 934000.0000 429000.0000 287000.0000 464000.0000 892000.0000 395000.0000 656000.0000 874000.0000 694000.0000 Phenylalanine 1390000000.0000 993000000.0000 1450000000.0000 1340000000.0000 1290000000.0000 1170000000.0000 1140000000.0000 814000000.0000 1460000000.0000 2040000000.0000 1140000000.0000 1490000000.0000 2130000000.0000 2220000000.0000 687000000.0000 1660000000.0000 584000000.0000 1110000000.0000 1170000000.0000 2790000000.0000 1720000000.0000 2390000000.0000 1880000000.0000 3090000000.0000 2120000000.0000 1010000000.0000 1470000000.0000 982000000.0000 1150000000.0000 1130000000.0000 939000000.0000 Phenylalanine-HCOOH 383000000.0000 280000000.0000 446000000.0000 403000000.0000 395000000.0000 344000000.0000 324000000.0000 227000000.0000 433000000.0000 587000000.0000 324000000.0000 429000000.0000 611000000.0000 635000000.0000 204000000.0000 518000000.0000 166000000.0000 322000000.0000 346000000.0000 845000000.0000 527000000.0000 721000000.0000 551000000.0000 932000000.0000 618000000.0000 282000000.0000 422000000.0000 278000000.0000 324000000.0000 321000000.0000 282000000.0000 PHOSPHOCHOLINE 814000000.0000 745000000.0000 790000000.0000 763000000.0000 739000000.0000 706000000.0000 777000000.0000 656000000.0000 541000000.0000 542000000.0000 515000000.0000 739000000.0000 614000000.0000 572000000.0000 595000000.0000 714000000.0000 547000000.0000 581000000.0000 660000000.0000 620000000.0000 639000000.0000 566000000.0000 706000000.0000 620000000.0000 793000000.0000 698000000.0000 868000000.0000 815000000.0000 763000000.0000 833000000.0000 726000000.0000 PIPECOLATE 9270000.0000 9810000.0000 10600000.0000 13800000.0000 12600000.0000 12400000.0000 11800000.0000 7630000.0000 8360000.0000 14700000.0000 9750000.0000 10400000.0000 15300000.0000 15600000.0000 7180000.0000 12500000.0000 4160000.0000 9690000.0000 11300000.0000 20300000.0000 17200000.0000 14700000.0000 12200000.0000 14700000.0000 17300000.0000 7610000.0000 15700000.0000 11200000.0000 11700000.0000 12800000.0000 10900000.0000 Proline 756000000.0000 638000000.0000 895000000.0000 777000000.0000 764000000.0000 661000000.0000 645000000.0000 489000000.0000 762000000.0000 951000000.0000 654000000.0000 744000000.0000 914000000.0000 1060000000.0000 435000000.0000 806000000.0000 386000000.0000 654000000.0000 658000000.0000 1280000000.0000 814000000.0000 1010000000.0000 991000000.0000 1500000000.0000 1150000000.0000 610000000.0000 753000000.0000 536000000.0000 678000000.0000 616000000.0000 546000000.0000 PUTRESCINE 1420000.0000 1020000.0000 892000.0000 517000.0000 569000.0000 1090000.0000 980000.0000 1410000.0000 933000.0000 926000.0000 751000.0000 818000.0000 1340000.0000 1160000.0000 1260000.0000 1070000.0000 654000.0000 779000.0000 380000.0000 1180000.0000 499000.0000 1610000.0000 1110000.0000 1040000.0000 1080000.0000 1290000.0000 1040000.0000 1380000.0000 792000.0000 883000.0000 460000.0000 PYRIDOXAL 9870000.0000 9040000.0000 8190000.0000 8600000.0000 8220000.0000 7930000.0000 10500000.0000 5880000.0000 5340000.0000 10500000.0000 6800000.0000 9690000.0000 11900000.0000 12700000.0000 4960000.0000 11200000.0000 3180000.0000 11400000.0000 8230000.0000 12200000.0000 7720000.0000 9020000.0000 8490000.0000 12200000.0000 15700000.0000 7420000.0000 10400000.0000 8760000.0000 11100000.0000 9480000.0000 8670000.0000 PYRIDOXAL 5^-PHOSPHATE 101000.0000 466000.0000 496000.0000 408000.0000 472000.0000 475000.0000 258000.0000 530000.0000 614000.0000 476000.0000 630000.0000 300000.0000 82000.0000 391000.0000 568000.0000 115000.0000 287000.0000 313000.0000 540000.0000 320000.0000 120000.0000 623000.0000 500000.0000 331000.0000 80100.0000 475000.0000 332000.0000 123000.0000 519000.0000 230000.0000 430000.0000 (R)-MALATE 68900000.0000 73800000.0000 69500000.0000 71600000.0000 78300000.0000 76700000.0000 66300000.0000 47400000.0000 66700000.0000 77700000.0000 54900000.0000 83400000.0000 90200000.0000 90900000.0000 52800000.0000 88200000.0000 39000000.0000 91200000.0000 63700000.0000 100000000.0000 77000000.0000 92000000.0000 72300000.0000 91000000.0000 106000000.0000 66700000.0000 82900000.0000 73300000.0000 68100000.0000 70800000.0000 58000000.0000 SPERMIDINE 438000000.0000 406000000.0000 413000000.0000 447000000.0000 441000000.0000 413000000.0000 439000000.0000 298000000.0000 521000000.0000 657000000.0000 359000000.0000 525000000.0000 691000000.0000 587000000.0000 365000000.0000 660000000.0000 114000000.0000 408000000.0000 385000000.0000 697000000.0000 493000000.0000 676000000.0000 576000000.0000 728000000.0000 511000000.0000 338000000.0000 451000000.0000 383000000.0000 371000000.0000 431000000.0000 374000000.0000 SUCCINATE 1270000.0000 2200000.0000 2700000.0000 3820000.0000 2930000.0000 1690000.0000 2060000.0000 1160000.0000 3660000.0000 3700000.0000 1740000.0000 2320000.0000 5720000.0000 3790000.0000 4680000.0000 6300000.0000 917000.0000 2840000.0000 1560000.0000 1640000.0000 2580000.0000 1740000.0000 2430000.0000 2710000.0000 3020000.0000 2890000.0000 1360000.0000 1160000.0000 1980000.0000 1460000.0000 1270000.0000 TAURINE 75000000.0000 62600000.0000 77900000.0000 52300000.0000 60300000.0000 49700000.0000 64100000.0000 72200000.0000 31700000.0000 23400000.0000 33600000.0000 56700000.0000 24800000.0000 28600000.0000 74900000.0000 41800000.0000 62600000.0000 58200000.0000 54600000.0000 29100000.0000 32900000.0000 25700000.0000 35400000.0000 22700000.0000 62200000.0000 64200000.0000 71500000.0000 67200000.0000 65900000.0000 79400000.0000 63300000.0000 THIAMINE MONOPHOSPHATE 1710000.0000 1400000.0000 1260000.0000 1580000.0000 89500.0000 1300000.0000 744000.0000 1180000.0000 885000.0000 1240000.0000 1030000.0000 1560000.0000 1620000.0000 1650000.0000 184000.0000 1750000.0000 527000.0000 1410000.0000 1380000.0000 1310000.0000 1100000.0000 1690000.0000 853000.0000 1640000.0000 1600000.0000 1320000.0000 1820000.0000 1610000.0000 1400000.0000 1560000.0000 375000.0000 Tryptophan 181000000.0000 146000000.0000 209000000.0000 186000000.0000 180000000.0000 167000000.0000 153000000.0000 116000000.0000 223000000.0000 292000000.0000 163000000.0000 229000000.0000 293000000.0000 302000000.0000 102000000.0000 223000000.0000 86600000.0000 158000000.0000 171000000.0000 406000000.0000 256000000.0000 365000000.0000 282000000.0000 464000000.0000 270000000.0000 139000000.0000 184000000.0000 132000000.0000 159000000.0000 148000000.0000 143000000.0000 Tryptophan-2_3_3-D3 98000000.0000 95900000.0000 97600000.0000 101000000.0000 101000000.0000 91300000.0000 88000000.0000 98700000.0000 103000000.0000 94800000.0000 91500000.0000 93400000.0000 85200000.0000 91400000.0000 102000000.0000 96100000.0000 103000000.0000 97500000.0000 95900000.0000 90300000.0000 72500000.0000 87000000.0000 96800000.0000 84900000.0000 77000000.0000 90900000.0000 78500000.0000 93100000.0000 90100000.0000 91400000.0000 95500000.0000 Tryptophan-2_3_3-D3-NH3 47700000.0000 47100000.0000 51300000.0000 54000000.0000 54500000.0000 47900000.0000 42800000.0000 48700000.0000 53600000.0000 47500000.0000 46300000.0000 47700000.0000 44600000.0000 46300000.0000 54600000.0000 50600000.0000 53200000.0000 49200000.0000 50800000.0000 49400000.0000 38600000.0000 46600000.0000 50700000.0000 45100000.0000 39600000.0000 45600000.0000 38300000.0000 47000000.0000 43600000.0000 46200000.0000 50800000.0000 Tryptophan-NH3 99500000.0000 81700000.0000 118000000.0000 109000000.0000 108000000.0000 95600000.0000 85800000.0000 63500000.0000 128000000.0000 164000000.0000 89300000.0000 128000000.0000 162000000.0000 168000000.0000 57800000.0000 133000000.0000 48000000.0000 88600000.0000 98000000.0000 238000000.0000 149000000.0000 208000000.0000 159000000.0000 259000000.0000 152000000.0000 75900000.0000 104000000.0000 72500000.0000 87200000.0000 82400000.0000 83900000.0000 Tyrosine 515000000.0000 406000000.0000 613000000.0000 527000000.0000 523000000.0000 486000000.0000 473000000.0000 307000000.0000 511000000.0000 756000000.0000 435000000.0000 601000000.0000 797000000.0000 813000000.0000 255000000.0000 644000000.0000 220000000.0000 504000000.0000 481000000.0000 1040000000.0000 670000000.0000 897000000.0000 687000000.0000 1220000000.0000 801000000.0000 403000000.0000 582000000.0000 406000000.0000 510000000.0000 419000000.0000 416000000.0000 URACIL 220000000.0000 241000000.0000 256000000.0000 274000000.0000 280000000.0000 264000000.0000 272000000.0000 159000000.0000 214000000.0000 327000000.0000 187000000.0000 263000000.0000 308000000.0000 295000000.0000 178000000.0000 311000000.0000 114000000.0000 257000000.0000 244000000.0000 350000000.0000 268000000.0000 296000000.0000 260000000.0000 344000000.0000 357000000.0000 200000000.0000 284000000.0000 195000000.0000 219000000.0000 250000000.0000 251000000.0000 URATE 2100000.0000 3400000.0000 3090000.0000 2510000.0000 4680000.0000 3420000.0000 3870000.0000 1500000.0000 3100000.0000 3880000.0000 1680000.0000 3920000.0000 5140000.0000 4780000.0000 1880000.0000 3000000.0000 703000.0000 3300000.0000 2350000.0000 4140000.0000 2490000.0000 3010000.0000 2590000.0000 2810000.0000 3970000.0000 2130000.0000 11100000.0000 1840000.0000 3410000.0000 4970000.0000 3180000.0000 Factors Treatment:Nicotine | Dosage:6mg/kg Treatment:Nicotine | Dosage:6mg/kg Treatment:Nicotine | Dosage:6mg/kg Treatment:Nicotine | Dosage:6mg/kg Treatment:Nicotine | Dosage:6mg/kg Treatment:Nicotine | Dosage:6mg/kg Treatment:Nicotine | Dosage:6mg/kg Treatment:Nicotine | Dosage:6mg/kg Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine Treatment:Nicotine + Oral contraceptives | Dosage:6mg/kg Nicotine Treatment:Oral contraceptives | Dosage:1 mL Treatment:Oral contraceptives | Dosage:1 mL Treatment:Oral contraceptives | Dosage:1 mL Treatment:Oral contraceptives | Dosage:1 mL Treatment:Oral contraceptives | Dosage:1 mL Treatment:Oral contraceptives | Dosage:1 mL Treatment:Oral contraceptives | Dosage:1 mL Treatment:Oral contraceptives | Dosage:1 mL Treatment:Saline | Dosage:2 mL Treatment:Saline | Dosage:2 mL Treatment:Saline | Dosage:2 mL Treatment:Saline | Dosage:2 mL Treatment:Saline | Dosage:2 mL Treatment:Saline | Dosage:2 mL Treatment:Saline | Dosage:2 mL 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 1,3-DIAMINOPROPANE 0.65 UFLORIDA_MS_RI 428 UFLORIDA_FEATURE 1-AMINOCYCLOPROPANE-1-CARBOXYLATE 0.82 UFLORIDA_MS_RI 535 UFLORIDA_FEATURE 2-HYDROXYPHENYLACETIC ACID 7.84 UFLORIDA_MS_RI 11914 UFLORIDA_FEATURE 3-HYDROXY-3-METHYLGLUTARATE 3.01 UFLORIDA_MS_RI 1662 UFLORIDA_FEATURE 3-METHYLHISTAMINE 0.77 UFLORIDA_MS_RI 69520 UFLORIDA_FEATURE 3-UREIDOPROPIONATE 1.35 UFLORIDA_MS_RI 111 UFLORIDA_FEATURE 4-AMINOBUTANOATE 0.86 UFLORIDA_MS_RI 119 UFLORIDA_FEATURE 4-GUANIDINOBUTANOATE 1.66 UFLORIDA_MS_RI 500 UFLORIDA_FEATURE 5,6-DIHYDROURACIL 1.43 UFLORIDA_MS_RI 649 UFLORIDA_FEATURE 5-AMINOLEVULINIC ACID 0.81 UFLORIDA_MS_RI 137 UFLORIDA_FEATURE 5-AMINOPENTANOATE 1.21 UFLORIDA_MS_RI 138 UFLORIDA_FEATURE 5-OXO-L-PROLINE 1.9 UFLORIDA_MS_RI 7405 UFLORIDA_FEATURE ADENINE 1.57 UFLORIDA_MS_RI 190 UFLORIDA_FEATURE ADENOSINE 5'-MONOPHOSPHATE 1.72 UFLORIDA_MS_RI 6083 UFLORIDA_FEATURE ALPHA-AMINOADIPATE 0.97 UFLORIDA_MS_RI 92136 UFLORIDA_FEATURE BETA-ALANINE 0.79 UFLORIDA_MS_RI 239 UFLORIDA_FEATURE Caffeine-D3 6.74 UFLORIDA_MS_RI 13001298 UFLORIDA_FEATURE CARNOSINE 0.79 UFLORIDA_MS_RI 439224 UFLORIDA_FEATURE CITRULLINE 0.84 UFLORIDA_MS_RI 9750 UFLORIDA_FEATURE CMP 1.11 UFLORIDA_MS_RI 6131 UFLORIDA_FEATURE Creatine 0.96 UFLORIDA_MS_RI 586 UFLORIDA_FEATURE Creatine-D3 0.95 UFLORIDA_MS_RI UFLORIDA_FEATURE Creatinine 1 UFLORIDA_MS_RI 588 UFLORIDA_FEATURE CYTIDINE 1.68 UFLORIDA_MS_RI 6175 UFLORIDA_FEATURE CYTIDINE 5'-DIPHOSPHOCHOLINE 0.99 UFLORIDA_MS_RI 13804 UFLORIDA_FEATURE DEOXYCARNITINE 1.5 UFLORIDA_MS_RI 725 UFLORIDA_FEATURE DEOXYCYTIDINE 2.2 UFLORIDA_MS_RI 13711 UFLORIDA_FEATURE D-GLUCOSE 6-PHOSPHATE 0.82 UFLORIDA_MS_RI 5958 UFLORIDA_FEATURE D-RIBOSE 5-PHOSPHATE 0.84 UFLORIDA_MS_RI 439167 UFLORIDA_FEATURE ETHANOLAMINE PHOSPHATE 0.79 UFLORIDA_MS_RI 1015 UFLORIDA_FEATURE Glutamine 0.79 UFLORIDA_MS_RI 5961 UFLORIDA_FEATURE GLYCEROL 0.85 UFLORIDA_MS_RI 753 UFLORIDA_FEATURE GLYCINE 0.78 UFLORIDA_MS_RI 750 UFLORIDA_FEATURE HYPOXANTHINE 2.05 UFLORIDA_MS_RI 790 UFLORIDA_FEATURE L-ALLOTHREONINE 0.78 UFLORIDA_MS_RI 99289 UFLORIDA_FEATURE L-ANSERINE 0.82 UFLORIDA_MS_RI 112072 UFLORIDA_FEATURE L-ARGININE 0.78 UFLORIDA_MS_RI 6322 UFLORIDA_FEATURE L-ASPARAGINE 0.79 UFLORIDA_MS_RI 6267 UFLORIDA_FEATURE L-ASPARTATE 0.79 UFLORIDA_MS_RI 5960 UFLORIDA_FEATURE L-CARNITINE 1.03 UFLORIDA_MS_RI 10917 UFLORIDA_FEATURE L-CYSTATHIONINE 0.78 UFLORIDA_MS_RI 439258 UFLORIDA_FEATURE LEUCINE 2.6 UFLORIDA_MS_RI 857 UFLORIDA_FEATURE L-HISTIDINE 0.78 UFLORIDA_MS_RI 6274 UFLORIDA_FEATURE L-LYSINE 0.68 UFLORIDA_MS_RI 5962 UFLORIDA_FEATURE L-METHIONINE 1.51 UFLORIDA_MS_RI 6137 UFLORIDA_FEATURE L-ORNITHINE 0.68 UFLORIDA_MS_RI 6262 UFLORIDA_FEATURE L-SERINE 0.79 UFLORIDA_MS_RI 5951 UFLORIDA_FEATURE L-THREONINE 0.8 UFLORIDA_MS_RI 6288 UFLORIDA_FEATURE MANNOSE 0.77 UFLORIDA_MS_RI 18950 UFLORIDA_FEATURE N-ACETYL-D-GALACTOSAMINE 0.91 UFLORIDA_MS_RI 84265 UFLORIDA_FEATURE N-ACETYL-DL-GLUTAMIC ACID 2.24 UFLORIDA_MS_RI 185 UFLORIDA_FEATURE N-ACETYL-L-ALANINE 2.25 UFLORIDA_MS_RI 88064 UFLORIDA_FEATURE N-ACETYL-L-ASPARTIC ACID 1.54 UFLORIDA_MS_RI 65065 UFLORIDA_FEATURE N-ACETYLNEURAMINATE 0.9 UFLORIDA_MS_RI 439197 UFLORIDA_FEATURE NALPHA-ACETYL-L-LYSINE 1.14 UFLORIDA_MS_RI 92907 UFLORIDA_FEATURE NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE 0.79 UFLORIDA_MS_RI 440120 UFLORIDA_FEATURE NICOTINAMIDE 1.75 UFLORIDA_MS_RI 936 UFLORIDA_FEATURE NICOTINATE 1.57 UFLORIDA_MS_RI 938 UFLORIDA_FEATURE N(PAI)-METHYL-L-HISTIDINE 0.79 UFLORIDA_MS_RI 64969 UFLORIDA_FEATURE O-ACETYL-L-SERINE 0.83 UFLORIDA_MS_RI 99478 UFLORIDA_FEATURE O-PHOSPHO-DL-SERINE 0.83 UFLORIDA_MS_RI 106 UFLORIDA_FEATURE OROTIC ACID 1.32 UFLORIDA_MS_RI 967 UFLORIDA_FEATURE Phenylalanine 5.57 UFLORIDA_MS_RI 6140 UFLORIDA_FEATURE Phenylalanine-HCOOH 5.57 UFLORIDA_MS_RI UFLORIDA_FEATURE PHOSPHOCHOLINE 0.8 UFLORIDA_MS_RI 1014 UFLORIDA_FEATURE PIPECOLATE 1.36 UFLORIDA_MS_RI 439227 UFLORIDA_FEATURE Proline 0.92 UFLORIDA_MS_RI 614 UFLORIDA_FEATURE PUTRESCINE 0.67 UFLORIDA_MS_RI 1045 UFLORIDA_FEATURE PYRIDOXAL 1.95 UFLORIDA_MS_RI 1050 UFLORIDA_FEATURE PYRIDOXAL 5'-PHOSPHATE 1.89 UFLORIDA_MS_RI 1051 UFLORIDA_FEATURE (R)-MALATE 1.13 UFLORIDA_MS_RI 92824 UFLORIDA_FEATURE SPERMIDINE 0.65 UFLORIDA_MS_RI 1102 UFLORIDA_FEATURE SUCCINATE 2.29 UFLORIDA_MS_RI 1110 UFLORIDA_FEATURE TAURINE 0.78 UFLORIDA_MS_RI 1123 UFLORIDA_FEATURE THIAMINE MONOPHOSPHATE 1 UFLORIDA_MS_RI 1131 UFLORIDA_FEATURE Tryptophan 6.45 UFLORIDA_MS_RI 6305 UFLORIDA_FEATURE Tryptophan-2,3,3-D3 6.44 UFLORIDA_MS_RI UFLORIDA_FEATURE Tryptophan-2,3,3-D3-NH3 6.44 UFLORIDA_MS_RI UFLORIDA_FEATURE Tryptophan-NH3 6.45 UFLORIDA_MS_RI UFLORIDA_FEATURE Tyrosine 3.24 UFLORIDA_MS_RI 6057 UFLORIDA_FEATURE URACIL 1.48 UFLORIDA_MS_RI 1174 UFLORIDA_FEATURE URATE 1.86 UFLORIDA_MS_RI 1175 UFLORIDA_FEATURE Factors 1_3-DIAMINOPROPANE 5_6-DIHYDROURACIL ADENOSINE 5^-MONOPHOSPHATE CYTIDINE 5^-DIPHOSPHOCHOLINE NEPSILON_NEPSILON_NEPSILON-TRIMETHYLLYSINE PYRIDOXAL 5^-PHOSPHATE Tryptophan-2_3_3-D3 Tryptophan-2_3_3-D3-NH3 METABOLITES_END #END