#METABOLOMICS WORKBENCH amitch_20150825_9865921_mwtab.txt DATATRACK_ID:350 STUDY_ID:ST000235 ANALYSIS_ID:AN000354 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 NEGATIVE #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 7S 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 Treatment:Saline | Dosage:2 mL 2-HYDROXYPHENYLACETIC ACID 1810000.0000 2460000.0000 2600000.0000 2470000.0000 2540000.0000 2060000.0000 2500000.0000 2220000.0000 2540000.0000 2350000.0000 2290000.0000 2330000.0000 2170000.0000 2220000.0000 2450000.0000 2230000.0000 2500000.0000 2470000.0000 2160000.0000 2040000.0000 2070000.0000 2070000.0000 2580000.0000 2290000.0000 2350000.0000 2440000.0000 2130000.0000 2030000.0000 2240000.0000 2480000.0000 2550000.0000 2580000.0000 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ALPHA-KETOGLUTARIC ACID 1320000.0000 2160000.0000 2860000.0000 2930000.0000 2370000.0000 2240000.0000 3310000.0000 1960000.0000 1250000.0000 1070000.0000 1130000.0000 2520000.0000 455000.0000 2310000.0000 1790000.0000 2790000.0000 1510000.0000 5690000.0000 791000.0000 2530000.0000 944000.0000 2370000.0000 995000.0000 887000.0000 902000.0000 2130000.0000 1710000.0000 481000.0000 3570000.0000 2430000.0000 3880000.0000 6620000.0000 BETA-ALANINE 9560000.0000 50400000.0000 8760000.0000 9380000.0000 7840000.0000 8220000.0000 8800000.0000 6980000.0000 8860000.0000 11300000.0000 8280000.0000 9460000.0000 11500000.0000 69700000.0000 6850000.0000 9340000.0000 5040000.0000 9410000.0000 8660000.0000 13200000.0000 9750000.0000 11200000.0000 63200000.0000 76200000.0000 11900000.0000 8380000.0000 10100000.0000 8840000.0000 8860000.0000 8990000.0000 8760000.0000 8150000.0000 CITRULLINE 7360000.0000 4440000.0000 9240000.0000 5980000.0000 6140000.0000 5550000.0000 6280000.0000 4830000.0000 9000000.0000 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82300000.0000 79900000.0000 97200000.0000 92800000.0000 40300000.0000 74800000.0000 57000000.0000 75200000.0000 73100000.0000 94400000.0000 63400000.0000 DIHYDROXYACETONE PHOSPHATE 24700000.0000 30100000.0000 23000000.0000 26600000.0000 22800000.0000 18500000.0000 24300000.0000 14200000.0000 21800000.0000 40400000.0000 17000000.0000 29400000.0000 32200000.0000 29600000.0000 20900000.0000 40100000.0000 12500000.0000 24200000.0000 19200000.0000 37600000.0000 30000000.0000 33100000.0000 24400000.0000 35100000.0000 31600000.0000 19000000.0000 25400000.0000 22900000.0000 21900000.0000 26900000.0000 32900000.0000 30600000.0000 D-RIBOSE 5-PHOSPHATE 15100000.0000 15100000.0000 14900000.0000 21000000.0000 16500000.0000 19000000.0000 17700000.0000 14500000.0000 21600000.0000 13400000.0000 11700000.0000 12700000.0000 15900000.0000 14800000.0000 23700000.0000 24900000.0000 52400000.0000 18200000.0000 17200000.0000 14400000.0000 19200000.0000 15400000.0000 13100000.0000 14600000.0000 23200000.0000 13000000.0000 19400000.0000 15100000.0000 19700000.0000 17200000.0000 21900000.0000 25000000.0000 D-SACCHARIC ACID 5280000.0000 5930000.0000 5820000.0000 3240000.0000 3520000.0000 4040000.0000 6560000.0000 5530000.0000 1890000.0000 1900000.0000 5960000.0000 3430000.0000 615000.0000 2730000.0000 3560000.0000 1610000.0000 7460000.0000 9160000.0000 5140000.0000 2370000.0000 1900000.0000 3030000.0000 3990000.0000 3040000.0000 4440000.0000 5690000.0000 4070000.0000 4150000.0000 8180000.0000 4750000.0000 5350000.0000 6730000.0000 D-SORBITOL 1910000.0000 260000.0000 1970000.0000 2640000.0000 2100000.0000 1800000.0000 2290000.0000 1730000.0000 1590000.0000 2250000.0000 1190000.0000 2080000.0000 2660000.0000 2300000.0000 1360000.0000 2050000.0000 234000.0000 1340000.0000 1600000.0000 2480000.0000 1590000.0000 1620000.0000 1730000.0000 2450000.0000 2860000.0000 2160000.0000 1870000.0000 1520000.0000 1840000.0000 1760000.0000 1700000.0000 2210000.0000 D-XYLOSE 7500000.0000 7160000.0000 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2320000000.0000 2220000000.0000 1350000000.0000 2090000000.0000 935000000.0000 1460000000.0000 1740000000.0000 2570000000.0000 1960000000.0000 1790000000.0000 1600000000.0000 2340000000.0000 2810000000.0000 1680000000.0000 2300000000.0000 1800000000.0000 1770000000.0000 1940000000.0000 1850000000.0000 1700000000.0000 GLYCERATE 7780000.0000 8340000.0000 13700000.0000 17200000.0000 16200000.0000 9670000.0000 9370000.0000 4980000.0000 11000000.0000 18400000.0000 4950000.0000 15600000.0000 13100000.0000 13600000.0000 8350000.0000 19700000.0000 4510000.0000 11400000.0000 12100000.0000 17400000.0000 10800000.0000 12200000.0000 10500000.0000 13500000.0000 15300000.0000 13300000.0000 12600000.0000 8550000.0000 8300000.0000 10400000.0000 15400000.0000 41900000.0000 GLYCEROL 2-PHOSPHATE 2610000.0000 5440000.0000 5760000.0000 7870000.0000 8540000.0000 4510000.0000 4660000.0000 3770000.0000 27100000.0000 14800000.0000 15000000.0000 12200000.0000 28500000.0000 20300000.0000 19700000.0000 29300000.0000 3640000.0000 7020000.0000 10700000.0000 15200000.0000 11500000.0000 9070000.0000 14800000.0000 17000000.0000 5380000.0000 4530000.0000 3370000.0000 2610000.0000 4020000.0000 2640000.0000 3600000.0000 3710000.0000 HYPOTAURINE 696000.0000 295000.0000 800000.0000 1440000.0000 529000.0000 1410000.0000 1610000.0000 572000.0000 78400.0000 209000.0000 244000.0000 292000.0000 392000.0000 222000.0000 507000.0000 296000.0000 347000.0000 195000.0000 301000.0000 327000.0000 293000.0000 79700.0000 187000.0000 227000.0000 967000.0000 462000.0000 612000.0000 421000.0000 625000.0000 802000.0000 501000.0000 464000.0000 L-ANSERINE 4560000.0000 2890000.0000 3510000.0000 3130000.0000 3920000.0000 4590000.0000 3490000.0000 4320000.0000 6220000.0000 5470000.0000 5430000.0000 5020000.0000 8340000.0000 6990000.0000 3550000.0000 5770000.0000 2260000.0000 4530000.0000 3300000.0000 5320000.0000 4900000.0000 7540000.0000 5840000.0000 5650000.0000 3500000.0000 5400000.0000 3890000.0000 3990000.0000 5190000.0000 3880000.0000 3530000.0000 2610000.0000 L-ARGININE 8490000.0000 4050000.0000 8920000.0000 7010000.0000 7740000.0000 7180000.0000 6580000.0000 6900000.0000 13000000.0000 13300000.0000 10200000.0000 9970000.0000 13000000.0000 13400000.0000 5170000.0000 10200000.0000 5700000.0000 7880000.0000 7590000.0000 16300000.0000 11400000.0000 15800000.0000 14200000.0000 17500000.0000 10200000.0000 7010000.0000 7800000.0000 5900000.0000 7830000.0000 6600000.0000 7460000.0000 5280000.0000 L-ASPARAGINE 6950000.0000 4970000.0000 7540000.0000 6780000.0000 5780000.0000 6700000.0000 6180000.0000 4660000.0000 5940000.0000 7550000.0000 5690000.0000 6460000.0000 7840000.0000 8460000.0000 4110000.0000 7140000.0000 4270000.0000 5510000.0000 6670000.0000 9290000.0000 7170000.0000 8100000.0000 7260000.0000 10600000.0000 9310000.0000 5530000.0000 7530000.0000 5930000.0000 6430000.0000 6230000.0000 6530000.0000 5590000.0000 L-ASPARTATE 472000000.0000 393000000.0000 442000000.0000 472000000.0000 415000000.0000 445000000.0000 509000000.0000 383000000.0000 579000000.0000 678000000.0000 526000000.0000 545000000.0000 692000000.0000 715000000.0000 396000000.0000 545000000.0000 306000000.0000 558000000.0000 533000000.0000 734000000.0000 562000000.0000 663000000.0000 656000000.0000 759000000.0000 593000000.0000 433000000.0000 547000000.0000 425000000.0000 466000000.0000 485000000.0000 491000000.0000 471000000.0000 LEUCINE 59500000.0000 28800000.0000 70800000.0000 59800000.0000 55600000.0000 57800000.0000 53200000.0000 33100000.0000 55700000.0000 90400000.0000 50200000.0000 63400000.0000 95800000.0000 100000000.0000 29300000.0000 70900000.0000 25000000.0000 50700000.0000 50500000.0000 119000000.0000 69900000.0000 96100000.0000 76700000.0000 139000000.0000 101000000.0000 43000000.0000 69700000.0000 43600000.0000 53200000.0000 54800000.0000 55000000.0000 43100000.0000 L-GLUTAMINE 183000000.0000 130000000.0000 186000000.0000 200000000.0000 158000000.0000 198000000.0000 198000000.0000 145000000.0000 172000000.0000 228000000.0000 175000000.0000 219000000.0000 209000000.0000 219000000.0000 155000000.0000 233000000.0000 119000000.0000 182000000.0000 221000000.0000 227000000.0000 237000000.0000 215000000.0000 197000000.0000 265000000.0000 237000000.0000 179000000.0000 217000000.0000 194000000.0000 173000000.0000 176000000.0000 184000000.0000 182000000.0000 L-HISTIDINE 31200000.0000 18200000.0000 33600000.0000 26200000.0000 26800000.0000 26400000.0000 24300000.0000 21600000.0000 35100000.0000 43500000.0000 31100000.0000 34800000.0000 41800000.0000 48000000.0000 16300000.0000 31000000.0000 17000000.0000 25900000.0000 25900000.0000 55600000.0000 34600000.0000 50100000.0000 46900000.0000 67200000.0000 39900000.0000 24600000.0000 30000000.0000 22100000.0000 26700000.0000 24600000.0000 25900000.0000 20100000.0000 L-LYSINE 22500000.0000 9030000.0000 21500000.0000 16600000.0000 16700000.0000 15400000.0000 15200000.0000 11900000.0000 23400000.0000 32500000.0000 20600000.0000 22500000.0000 36700000.0000 33400000.0000 10500000.0000 25200000.0000 8710000.0000 20200000.0000 20200000.0000 43600000.0000 25800000.0000 40400000.0000 32100000.0000 46700000.0000 33700000.0000 17200000.0000 26400000.0000 16700000.0000 16900000.0000 19900000.0000 16300000.0000 13900000.0000 L-METHIONINE 43300000.0000 21700000.0000 51700000.0000 45100000.0000 38200000.0000 39400000.0000 40100000.0000 26000000.0000 48200000.0000 66100000.0000 38900000.0000 47600000.0000 74000000.0000 73900000.0000 22800000.0000 54500000.0000 21400000.0000 37600000.0000 38200000.0000 87700000.0000 54700000.0000 77000000.0000 60000000.0000 106000000.0000 71600000.0000 34100000.0000 51200000.0000 30300000.0000 39100000.0000 39800000.0000 41600000.0000 33000000.0000 L-SERINE 68400000.0000 38200000.0000 65000000.0000 61200000.0000 51800000.0000 55400000.0000 57400000.0000 39800000.0000 52500000.0000 70100000.0000 43200000.0000 55900000.0000 75400000.0000 79400000.0000 38700000.0000 56700000.0000 29500000.0000 47600000.0000 44300000.0000 85700000.0000 59700000.0000 76200000.0000 73400000.0000 110000000.0000 96800000.0000 52400000.0000 75600000.0000 50200000.0000 55800000.0000 59800000.0000 55700000.0000 45300000.0000 L-THREONINE 168000000.0000 77300000.0000 155000000.0000 128000000.0000 99800000.0000 126000000.0000 137000000.0000 87100000.0000 137000000.0000 221000000.0000 119000000.0000 158000000.0000 233000000.0000 238000000.0000 88500000.0000 150000000.0000 64500000.0000 127000000.0000 128000000.0000 221000000.0000 159000000.0000 189000000.0000 166000000.0000 298000000.0000 240000000.0000 128000000.0000 211000000.0000 139000000.0000 145000000.0000 133000000.0000 125000000.0000 107000000.0000 L-VALINE 16500000.0000 8300000.0000 19100000.0000 16200000.0000 14600000.0000 15600000.0000 14800000.0000 8830000.0000 12900000.0000 22000000.0000 12600000.0000 14900000.0000 24400000.0000 25500000.0000 7640000.0000 17600000.0000 6590000.0000 13600000.0000 13300000.0000 29200000.0000 17300000.0000 22000000.0000 17100000.0000 33500000.0000 28500000.0000 12000000.0000 19100000.0000 12300000.0000 14500000.0000 14700000.0000 14700000.0000 12300000.0000 MALONATE 168000.0000 239000.0000 387000.0000 250000.0000 143000.0000 425000.0000 529000.0000 378000.0000 396000.0000 425000.0000 360000.0000 387000.0000 406000.0000 417000.0000 310000.0000 461000.0000 528000.0000 564000.0000 573000.0000 265000.0000 505000.0000 467000.0000 572000.0000 627000.0000 476000.0000 386000.0000 520000.0000 415000.0000 538000.0000 379000.0000 360000.0000 417000.0000 N-ACETYL-D-GALACTOSAMINE 3730000.0000 2560000.0000 3550000.0000 2440000.0000 2390000.0000 3220000.0000 3640000.0000 3050000.0000 3680000.0000 4360000.0000 4250000.0000 4310000.0000 5110000.0000 4450000.0000 2650000.0000 3670000.0000 1960000.0000 4090000.0000 4130000.0000 4280000.0000 3770000.0000 3900000.0000 3800000.0000 5300000.0000 4500000.0000 3290000.0000 3940000.0000 3960000.0000 3960000.0000 3700000.0000 3180000.0000 2360000.0000 N-ACETYL-DL-GLUTAMIC ACID 14200000.0000 8090000.0000 15300000.0000 17700000.0000 16300000.0000 16400000.0000 17100000.0000 10500000.0000 11800000.0000 21800000.0000 11500000.0000 17900000.0000 24500000.0000 20800000.0000 9970000.0000 19600000.0000 5900000.0000 14700000.0000 14100000.0000 27400000.0000 20500000.0000 23000000.0000 13900000.0000 24500000.0000 23100000.0000 11800000.0000 21200000.0000 15000000.0000 15100000.0000 15200000.0000 16300000.0000 13900000.0000 N-ACETYL-D-MANNOSAMINE 9500000.0000 5580000.0000 10700000.0000 15200000.0000 14800000.0000 11400000.0000 9850000.0000 4700000.0000 10500000.0000 13300000.0000 7720000.0000 12300000.0000 15600000.0000 14100000.0000 9130000.0000 17300000.0000 2980000.0000 11100000.0000 12000000.0000 17700000.0000 17600000.0000 13400000.0000 10800000.0000 18700000.0000 17900000.0000 7780000.0000 13000000.0000 8890000.0000 9460000.0000 9980000.0000 14300000.0000 11300000.0000 N-ACETYL-L-ALANINE 54500000.0000 20400000.0000 62200000.0000 51900000.0000 53900000.0000 44400000.0000 39000000.0000 37900000.0000 61600000.0000 85400000.0000 54000000.0000 75000000.0000 82000000.0000 92800000.0000 25500000.0000 65500000.0000 30100000.0000 42600000.0000 48100000.0000 145000000.0000 75100000.0000 105000000.0000 114000000.0000 153000000.0000 80600000.0000 34700000.0000 59100000.0000 33400000.0000 43000000.0000 49400000.0000 49600000.0000 34000000.0000 N-ACETYL-L-ASPARTIC ACID 4540000000.0000 2930000000.0000 4700000000.0000 5260000000.0000 5180000000.0000 5260000000.0000 4690000000.0000 2990000000.0000 2990000000.0000 4400000000.0000 2940000000.0000 4110000000.0000 4690000000.0000 3850000000.0000 4190000000.0000 5260000000.0000 2480000000.0000 4640000000.0000 4390000000.0000 4310000000.0000 4670000000.0000 4480000000.0000 3060000000.0000 4290000000.0000 6150000000.0000 3730000000.0000 5450000000.0000 4550000000.0000 4350000000.0000 4680000000.0000 5130000000.0000 4540000000.0000 N-ACETYLNEURAMINATE 46200000.0000 28100000.0000 48000000.0000 51100000.0000 52600000.0000 50100000.0000 44400000.0000 27600000.0000 44600000.0000 54700000.0000 35700000.0000 49300000.0000 60000000.0000 52500000.0000 32700000.0000 65000000.0000 22000000.0000 38000000.0000 44100000.0000 68000000.0000 65800000.0000 62400000.0000 45300000.0000 68600000.0000 64300000.0000 36100000.0000 59300000.0000 41500000.0000 39000000.0000 47300000.0000 55100000.0000 42800000.0000 NICOTINAMIDE 3660000.0000 3340000.0000 3850000.0000 3820000.0000 3820000.0000 4000000.0000 3920000.0000 3530000.0000 4350000.0000 4810000.0000 4280000.0000 4360000.0000 4490000.0000 4300000.0000 3470000.0000 4540000.0000 3240000.0000 4710000.0000 4110000.0000 4720000.0000 4530000.0000 4730000.0000 4490000.0000 5150000.0000 4210000.0000 3350000.0000 3900000.0000 3810000.0000 3710000.0000 3710000.0000 4010000.0000 4270000.0000 N-METHYL-D-ASPARTIC ACID 809000000.0000 540000000.0000 757000000.0000 865000000.0000 745000000.0000 877000000.0000 792000000.0000 636000000.0000 489000000.0000 568000000.0000 457000000.0000 608000000.0000 574000000.0000 610000000.0000 713000000.0000 718000000.0000 491000000.0000 729000000.0000 514000000.0000 545000000.0000 685000000.0000 580000000.0000 577000000.0000 564000000.0000 915000000.0000 689000000.0000 905000000.0000 773000000.0000 747000000.0000 731000000.0000 797000000.0000 665000000.0000 (R)-MALATE 699000000.0000 460000000.0000 798000000.0000 834000000.0000 827000000.0000 852000000.0000 707000000.0000 440000000.0000 673000000.0000 900000000.0000 525000000.0000 895000000.0000 1010000000.0000 972000000.0000 539000000.0000 970000000.0000 372000000.0000 898000000.0000 716000000.0000 1190000000.0000 837000000.0000 1010000000.0000 781000000.0000 1100000000.0000 1140000000.0000 636000000.0000 936000000.0000 707000000.0000 661000000.0000 747000000.0000 864000000.0000 686000000.0000 SUBERIC ACID 187000.0000 64900.0000 251000.0000 215000.0000 195000.0000 194000.0000 213000.0000 214000.0000 214000.0000 282000.0000 229000.0000 190000.0000 211000.0000 234000.0000 244000.0000 243000.0000 201000.0000 247000.0000 194000.0000 237000.0000 208000.0000 237000.0000 183000.0000 226000.0000 205000.0000 179000.0000 201000.0000 183000.0000 171000.0000 189000.0000 182000.0000 92000.0000 TAURINE 338000000.0000 222000000.0000 316000000.0000 299000000.0000 289000000.0000 291000000.0000 291000000.0000 266000000.0000 146000000.0000 149000000.0000 161000000.0000 259000000.0000 185000000.0000 214000000.0000 260000000.0000 253000000.0000 194000000.0000 254000000.0000 224000000.0000 199000000.0000 184000000.0000 150000000.0000 193000000.0000 183000000.0000 338000000.0000 271000000.0000 372000000.0000 295000000.0000 295000000.0000 350000000.0000 279000000.0000 244000000.0000 URACIL 150000000.0000 112000000.0000 160000000.0000 164000000.0000 154000000.0000 159000000.0000 170000000.0000 109000000.0000 136000000.0000 206000000.0000 132000000.0000 169000000.0000 203000000.0000 190000000.0000 110000000.0000 181000000.0000 79600000.0000 168000000.0000 149000000.0000 213000000.0000 162000000.0000 182000000.0000 166000000.0000 219000000.0000 217000000.0000 132000000.0000 182000000.0000 127000000.0000 149000000.0000 167000000.0000 159000000.0000 157000000.0000 URATE 6050000.0000 6700000.0000 8900000.0000 6600000.0000 11500000.0000 9620000.0000 10500000.0000 4190000.0000 7920000.0000 9610000.0000 4910000.0000 9760000.0000 12400000.0000 12600000.0000 5150000.0000 7810000.0000 2350000.0000 8720000.0000 6690000.0000 10700000.0000 6870000.0000 8130000.0000 7440000.0000 8540000.0000 10700000.0000 5460000.0000 27900000.0000 4960000.0000 8900000.0000 12600000.0000 8520000.0000 9290000.0000 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 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 2-HYDROXYPHENYLACETIC ACID 7.84 UFLORIDA_MS_RI 11914 UFLORIDA_FEATURE 3-HYDROXY-3-METHYLGLUTARATE 3.01 UFLORIDA_MS_RI 1662 UFLORIDA_FEATURE 3-SULFINO-L-ALANINE 0.83 UFLORIDA_MS_RI 1549098 UFLORIDA_FEATURE 4-GUANIDINOBUTANOATE 1.66 UFLORIDA_MS_RI 500 UFLORIDA_FEATURE 4-METHYLCATECHOL 6.35 UFLORIDA_MS_RI 9958 UFLORIDA_FEATURE 5-AMINOLEVULINIC ACID 0.81 UFLORIDA_MS_RI 137 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 ALPHA-KETOGLUTARIC ACID 1.45 UFLORIDA_MS_RI 51 UFLORIDA_FEATURE BETA-ALANINE 0.79 UFLORIDA_MS_RI 239 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 CYTIDINE 1.68 UFLORIDA_MS_RI 6175 UFLORIDA_FEATURE D-GLUCOSE-6-PHOSPHATE 0.82 UFLORIDA_MS_RI 5958 UFLORIDA_FEATURE DIHYDROXYACETONE PHOSPHATE 0.82 UFLORIDA_MS_RI 668 UFLORIDA_FEATURE D-RIBOSE 5-PHOSPHATE 0.84 UFLORIDA_MS_RI 439167 UFLORIDA_FEATURE D-SACCHARIC ACID 0.82 UFLORIDA_MS_RI 33037 UFLORIDA_FEATURE D-SORBITOL 0.78 UFLORIDA_MS_RI 5780 UFLORIDA_FEATURE D-XYLOSE 0.88 UFLORIDA_MS_RI 135191 UFLORIDA_FEATURE ETHANOLAMINE PHOSPHATE 0.79 UFLORIDA_MS_RI 1015 UFLORIDA_FEATURE GLUCONIC ACID 0.83 UFLORIDA_MS_RI 10690 UFLORIDA_FEATURE GLUTATHIONE 1.67 UFLORIDA_MS_RI 124886 UFLORIDA_FEATURE GLYCERALDEHYDE 1.32 UFLORIDA_MS_RI 751 UFLORIDA_FEATURE GLYCERATE 0.91 UFLORIDA_MS_RI 439194 UFLORIDA_FEATURE GLYCEROL 2-PHOSPHATE 0.82 UFLORIDA_MS_RI 2526 UFLORIDA_FEATURE HYPOTAURINE 0.78 UFLORIDA_MS_RI 107812 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 LEUCINE 2.6 UFLORIDA_MS_RI 857 UFLORIDA_FEATURE L-GLUTAMINE 0.79 UFLORIDA_MS_RI 5961 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-SERINE 0.79 UFLORIDA_MS_RI 5951 UFLORIDA_FEATURE L-THREONINE 0.8 UFLORIDA_MS_RI 6288 UFLORIDA_FEATURE L-VALINE 1.21 UFLORIDA_MS_RI 6287 UFLORIDA_FEATURE MALONATE 1.21 UFLORIDA_MS_RI 867 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-D-MANNOSAMINE 0.86 UFLORIDA_MS_RI 439281 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 NICOTINAMIDE 1.75 UFLORIDA_MS_RI 936 UFLORIDA_FEATURE N-METHYL-D-ASPARTIC ACID 0.84 UFLORIDA_MS_RI 22880 UFLORIDA_FEATURE (R)-MALATE 1.13 UFLORIDA_MS_RI 92824 UFLORIDA_FEATURE SUBERIC ACID 7.89 UFLORIDA_MS_RI 10457 UFLORIDA_FEATURE TAURINE 0.78 UFLORIDA_MS_RI 1123 UFLORIDA_FEATURE URACIL 1.48 UFLORIDA_MS_RI 1174 UFLORIDA_FEATURE URATE 1.86 UFLORIDA_MS_RI 1175 UFLORIDA_FEATURE Factors ADENOSINE 5^-MONOPHOSPHATE METABOLITES_END #END