#METABOLOMICS WORKBENCH amitch_20150903_9037731_mwtab.txt DATATRACK_ID:355 STUDY_ID:ST000240 ANALYSIS_ID:AN000372 PROJECT_ID:PR000193 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Global LC-MS of Ozone Stress in Maize: GLCMS PR:PROJECT_SUMMARY Oxidative stress arising from O3 exposure is reducing potential maize yields by PR:PROJECT_SUMMARY to 10%. Yield losses to O3 are projected to as much as double by mid-century, PR:PROJECT_SUMMARY there is thought to be little potential for adaptation to rising O3 PR:PROJECT_SUMMARY ([O3]) through altered crop management practices. Therefore, the only solution PR:PROJECT_SUMMARY current and future O3-induced yield loss is development of O3 tolerant maize PR:PROJECT_SUMMARY breeding and/or biotechnology. In this project, we will investigate the PR:PROJECT_SUMMARY profiles that underpin O3 sensitivity in maize. PR:INSTITUTE 1201 W. Gregory Dr., Urbana, IL 61801 PR:DEPARTMENT Plant Biology PR:LAST_NAME Ainsworth PR:FIRST_NAME Elizabeth PR:ADDRESS 1201 W. Gregory Dr., Urbana, IL 61801 PR:EMAIL ainswort@illinois.edu PR:PHONE (217) 265-9887 PR:FUNDING_SOURCE Southeastern Center for Integrated Metabolomics (SECIM) pilot and feasibility PR:FUNDING_SOURCE NIH U24 DK097209 #STUDY ST:STUDY_TITLE Global LC-MS of Ozone Stress in Maize: GLCMS ST:STUDY_TYPE ozone treatment ST:STUDY_SUMMARY Global LC-MS of maize leaf samples collected from plants grown at ambient and ST:STUDY_SUMMARY ozone concentrations in replicated field experiment ST:INSTITUTE University of Florida ST:DEPARTMENT Southeastern Center for Integrated Metabolomics (SECIM) ST:LAST_NAME Ainsworth ST:FIRST_NAME Elizabeth ST:ADDRESS - ST:EMAIL ainswort@illinois.edu ST:PHONE - ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 24 #SUBJECT SU:SUBJECT_TYPE Plant SU:SUBJECT_SPECIES Zea mays SU:TAXONOMY_ID 4577 SU:GENOTYPE_STRAIN inbred line B73 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - R10 B73 41021 Ring No:10 | Treatment:ambient SUBJECT_SAMPLE_FACTORS - R10 B73 41023 Ring No:10 | Treatment:ambient SUBJECT_SAMPLE_FACTORS - R10 B73 41044 Ring No:10 | Treatment:ambient SUBJECT_SAMPLE_FACTORS - R13 B73 41321 Ring No:13 | Treatment:ozone SUBJECT_SAMPLE_FACTORS - R13 B73 41324 Ring No:13 | Treatment:ozone SUBJECT_SAMPLE_FACTORS - R13 B73 41344 Ring No:13 | Treatment:ozone SUBJECT_SAMPLE_FACTORS - R14 B73 41421 Ring No:14 | Treatment:ambient SUBJECT_SAMPLE_FACTORS - R14 B73 41424 Ring No:14 | Treatment:ambient SUBJECT_SAMPLE_FACTORS - R14 B73 41444 Ring No:14 | Treatment:ambient SUBJECT_SAMPLE_FACTORS - R1 B73 40104 Ring No:1 | Treatment:ambient SUBJECT_SAMPLE_FACTORS - R1 B73 40122 Ring No:1 | Treatment:ambient SUBJECT_SAMPLE_FACTORS - R1 B73 40143 Ring No:1 | Treatment:ambient SUBJECT_SAMPLE_FACTORS - R2 B73 40204 Ring No:2 | Treatment:ozone SUBJECT_SAMPLE_FACTORS - R2 B73 40222 Ring No:2 | Treatment:ozone SUBJECT_SAMPLE_FACTORS - R2 B73 40243 Ring No:2 | Treatment:ozone SUBJECT_SAMPLE_FACTORS - R5 B73 40520 Ring No:5 | Treatment:ambient SUBJECT_SAMPLE_FACTORS - R5 B73 40525 Ring No:5 | Treatment:ambient SUBJECT_SAMPLE_FACTORS - R5 B73 40542 Ring No:5 | Treatment:ambient SUBJECT_SAMPLE_FACTORS - R6 B73 40620 Ring No:6 | Treatment:ozone SUBJECT_SAMPLE_FACTORS - R6 B73 40625 Ring No:6 | Treatment:ozone SUBJECT_SAMPLE_FACTORS - R6 B73 40642 Ring No:6 | Treatment:ozone SUBJECT_SAMPLE_FACTORS - R9 B73 40921 Ring No:9 | Treatment:ozone SUBJECT_SAMPLE_FACTORS - R9 B73 40923 Ring No:9 | Treatment:ozone SUBJECT_SAMPLE_FACTORS - R9 B73 40944 Ring No:9 | Treatment:ozone #COLLECTION CO:COLLECTION_SUMMARY - CO:COLLECTION_PROTOCOL_FILENAME Collection_summary_ainsworth.txt #TREATMENT TR:TREATMENT_SUMMARY Maize (inbred line B73) grown at ambient (~40 ppb) and elevated O3 TR:TREATMENT_SUMMARY ([O3]; 100 ppb). TR:TREATMENT_PROTOCOL_FILENAME Treatment_summary_ainsworth.txt #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME SOP_sp_01(maize).pdf SP:SAMPLEPREP_PROTOCOL_COMMENTS Appendix A - Internal Standard Prep GLCMS.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap CH:COLUMN_NAME ACE Excel 2 C18-PFP (100 x 2.1mm, 2um) CH:METHODS_FILENAME Metabolomics_LCMSProtocol.pdf #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Garrett Lab AN:DETECTOR_TYPE Orbitrap #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak height MS_METABOLITE_DATA_START Samples R10 B73 41021 R10 B73 41023 R10 B73 41044 R13 B73 41321 R13 B73 41324 R13 B73 41344 R14 B73 41421 R14 B73 41424 R14 B73 41444 R1 B73 40104 R1 B73 40122 R1 B73 40143 R2 B73 40204 R2 B73 40222 R2 B73 40243 R5 B73 40520 R5 B73 40525 R5 B73 40542 R6 B73 40620 R6 B73 40625 R6 B73 40642 R9 B73 40921 R9 B73 40923 R9 B73 40944 Factors Ring No:10 | Treatment:ambient Ring No:10 | Treatment:ambient Ring No:10 | Treatment:ambient Ring No:13 | Treatment:ozone Ring No:13 | Treatment:ozone Ring No:13 | Treatment:ozone Ring No:14 | Treatment:ambient Ring No:14 | Treatment:ambient Ring No:14 | Treatment:ambient Ring No:1 | Treatment:ambient Ring No:1 | Treatment:ambient Ring No:1 | Treatment:ambient Ring No:2 | Treatment:ozone Ring No:2 | Treatment:ozone Ring No:2 | Treatment:ozone Ring No:5 | Treatment:ambient Ring No:5 | Treatment:ambient Ring No:5 | Treatment:ambient Ring No:6 | Treatment:ozone Ring No:6 | Treatment:ozone Ring No:6 | Treatment:ozone Ring No:9 | Treatment:ozone Ring No:9 | Treatment:ozone Ring No:9 | Treatment:ozone 3-HYDROXYANTHRANILATE 54800.0000 70700.0000 211000.0000 119000.0000 311000.0000 196000.0000 47700.0000 140000.0000 828000.0000 162000.0000 192000.0000 182000.0000 2080000.0000 259000.0000 60700.0000 382000.0000 43300.0000 460000.0000 89100.0000 36700.0000 683000.0000 233000.0000 51400.0000 57000.0000 4-COUMARATE 862000.0000 1230000.0000 1510000.0000 3220000.0000 756000.0000 997000.0000 1280000.0000 3020000.0000 1780000.0000 3080000.0000 2010000.0000 680000.0000 2860000.0000 1290000.0000 1450000.0000 1140000.0000 598000.0000 958000.0000 971000.0000 1040000.0000 1640000.0000 3540000.0000 1010000.0000 2680000.0000 4-HYDROXYBENZALDEHYDE 851000.0000 734000.0000 885000.0000 1560000.0000 740000.0000 758000.0000 715000.0000 940000.0000 1200000.0000 1140000.0000 1120000.0000 657000.0000 1420000.0000 768000.0000 1060000.0000 644000.0000 705000.0000 816000.0000 1210000.0000 1500000.0000 1130000.0000 1380000.0000 788000.0000 1710000.0000 4-HYDROXYBENZOATE 1640000.0000 1570000.0000 1740000.0000 1370000.0000 1010000.0000 1220000.0000 1100000.0000 1410000.0000 1570000.0000 1430000.0000 1440000.0000 1840000.0000 2060000.0000 1820000.0000 2810000.0000 1250000.0000 1190000.0000 1720000.0000 2590000.0000 2030000.0000 1950000.0000 1390000.0000 1030000.0000 1440000.0000 5-OXO-L-PROLINE 751000.0000 941000.0000 657000.0000 2320000.0000 2390000.0000 1800000.0000 1150000.0000 2250000.0000 1430000.0000 262000.0000 259000.0000 227000.0000 342000.0000 251000.0000 207000.0000 227000.0000 252000.0000 400000.0000 297000.0000 244000.0000 266000.0000 880000.0000 1190000.0000 877000.0000 ALLANTOIN 25100.0000 1840000.0000 3140000.0000 39900.0000 4000000.0000 32200.0000 1120000.0000 1870000.0000 50800.0000 1520000.0000 1090000.0000 16700.0000 36000.0000 1540000.0000 26400.0000 25700.0000 2770000.0000 1780000.0000 27400.0000 2660000.0000 22800.0000 42000.0000 20100.0000 27300.0000 AZELAIC ACID 9990000.0000 8190000.0000 7450000.0000 6370000.0000 3350000.0000 5590000.0000 4400000.0000 11900000.0000 10100000.0000 10200000.0000 11800000.0000 8020000.0000 6150000.0000 8070000.0000 9570000.0000 2100000.0000 5710000.0000 5650000.0000 2460000.0000 3510000.0000 6750000.0000 7390000.0000 1170000.0000 3310000.0000 BETA-ALANINE 673000.0000 442000.0000 429000.0000 396000.0000 484000.0000 516000.0000 310000.0000 412000.0000 488000.0000 332000.0000 351000.0000 329000.0000 428000.0000 412000.0000 304000.0000 200000.0000 270000.0000 190000.0000 406000.0000 473000.0000 385000.0000 256000.0000 206000.0000 233000.0000 CAFFEATE 228000.0000 582000.0000 684000.0000 162000.0000 708000.0000 403000.0000 669000.0000 448000.0000 1100000.0000 180000.0000 143000.0000 586000.0000 864000.0000 339000.0000 322000.0000 660000.0000 390000.0000 499000.0000 1350000.0000 1060000.0000 1040000.0000 424000.0000 969000.0000 535000.0000 CHOLATE 4310.0000 0.0000 4810.0000 6650.0000 82000.0000 0.0000 4990.0000 6080.0000 48800.0000 1240000.0000 3510000.0000 494000.0000 1120000.0000 22500.0000 648000.0000 43400.0000 220000.0000 21000.0000 739000.0000 2570000.0000 0.0000 4790.0000 600000.0000 3020.0000 CITRATE 30200000.0000 20500000.0000 29200000.0000 39500000.0000 19200000.0000 23600000.0000 25100000.0000 27400000.0000 28300000.0000 36400000.0000 45000000.0000 28100000.0000 30900000.0000 21500000.0000 25400000.0000 30600000.0000 26200000.0000 35000000.0000 34800000.0000 37500000.0000 23400000.0000 41500000.0000 24300000.0000 24100000.0000 DECANOATE 465000.0000 470000.0000 445000.0000 439000.0000 486000.0000 489000.0000 474000.0000 498000.0000 473000.0000 434000.0000 450000.0000 443000.0000 476000.0000 473000.0000 469000.0000 482000.0000 452000.0000 439000.0000 457000.0000 470000.0000 445000.0000 435000.0000 488000.0000 448000.0000 D-GLUCURONIC ACID 5880000.0000 5040000.0000 5250000.0000 9640000.0000 3340000.0000 2600000.0000 2910000.0000 5150000.0000 5170000.0000 6000000.0000 6290000.0000 4440000.0000 3930000.0000 4070000.0000 4250000.0000 2310000.0000 2990000.0000 4420000.0000 3140000.0000 4280000.0000 4460000.0000 5450000.0000 2000000.0000 4340000.0000 D-(+)-RAFFINOSE 104000.0000 118000.0000 146000.0000 943000.0000 134000.0000 183000.0000 132000.0000 167000.0000 1130000.0000 132000.0000 96800.0000 258000.0000 1570000.0000 146000.0000 156000.0000 1470000.0000 249000.0000 1390000.0000 180000.0000 104000.0000 149000.0000 1220000.0000 138000.0000 1070000.0000 D-SACCHARIC ACID 4090000.0000 5200000.0000 4910000.0000 5100000.0000 3600000.0000 3360000.0000 4060000.0000 5620000.0000 5610000.0000 5840000.0000 5570000.0000 3650000.0000 4750000.0000 4780000.0000 4070000.0000 3070000.0000 3650000.0000 4650000.0000 4510000.0000 4890000.0000 5180000.0000 3470000.0000 2610000.0000 3270000.0000 D-SORBITOL 4270000.0000 6770000.0000 8240000.0000 5750000.0000 7250000.0000 4870000.0000 5120000.0000 7210000.0000 16300000.0000 7150000.0000 7160000.0000 6640000.0000 43000000.0000 5850000.0000 5050000.0000 10300000.0000 6320000.0000 8890000.0000 10100000.0000 4940000.0000 25900000.0000 7340000.0000 5950000.0000 4510000.0000 FERULATE 400000.0000 696000.0000 702000.0000 1070000.0000 354000.0000 338000.0000 476000.0000 811000.0000 615000.0000 1080000.0000 950000.0000 373000.0000 713000.0000 655000.0000 479000.0000 726000.0000 448000.0000 665000.0000 439000.0000 320000.0000 674000.0000 590000.0000 924000.0000 748000.0000 GLUCONIC ACID 25000000.0000 38000000.0000 30800000.0000 69900000.0000 17700000.0000 17100000.0000 26800000.0000 34400000.0000 31900000.0000 55100000.0000 44800000.0000 18200000.0000 52000000.0000 30200000.0000 26500000.0000 19800000.0000 21800000.0000 33700000.0000 29800000.0000 38900000.0000 37200000.0000 58100000.0000 15300000.0000 33900000.0000 GLYCERATE 29700000.0000 23700000.0000 24100000.0000 55200000.0000 19900000.0000 20300000.0000 13800000.0000 20300000.0000 24000000.0000 29200000.0000 32500000.0000 27500000.0000 22800000.0000 30300000.0000 27300000.0000 15900000.0000 22700000.0000 19900000.0000 19400000.0000 22700000.0000 19300000.0000 32000000.0000 12800000.0000 24700000.0000 GLYCOLATE 2910000.0000 2720000.0000 3070000.0000 2630000.0000 3010000.0000 2780000.0000 2870000.0000 2950000.0000 3090000.0000 2590000.0000 3020000.0000 2650000.0000 2380000.0000 2720000.0000 2900000.0000 2430000.0000 2580000.0000 2870000.0000 2610000.0000 2910000.0000 2630000.0000 2440000.0000 2740000.0000 2470000.0000 GUANOSINE 2220000.0000 2380000.0000 2230000.0000 2140000.0000 1190000.0000 2040000.0000 2040000.0000 2660000.0000 2330000.0000 3040000.0000 2650000.0000 1810000.0000 2670000.0000 2180000.0000 2450000.0000 1370000.0000 1710000.0000 1650000.0000 1750000.0000 1610000.0000 1870000.0000 2350000.0000 962000.0000 2090000.0000 L-ASPARAGINE 723000.0000 580000.0000 468000.0000 588000.0000 310000.0000 610000.0000 461000.0000 811000.0000 632000.0000 1600000.0000 655000.0000 245000.0000 693000.0000 415000.0000 287000.0000 468000.0000 265000.0000 341000.0000 533000.0000 517000.0000 369000.0000 302000.0000 228000.0000 290000.0000 L-ASPARTATE 14800000.0000 17400000.0000 15800000.0000 11700000.0000 13600000.0000 15800000.0000 11600000.0000 13300000.0000 11700000.0000 18000000.0000 15300000.0000 12600000.0000 20100000.0000 21200000.0000 14800000.0000 8580000.0000 12800000.0000 11200000.0000 19100000.0000 25900000.0000 17500000.0000 7590000.0000 9040000.0000 9000000.0000 L-GLUTAMINE 4620000.0000 5400000.0000 3610000.0000 3300000.0000 2040000.0000 3800000.0000 6130000.0000 5400000.0000 5730000.0000 4490000.0000 4610000.0000 1930000.0000 7240000.0000 3100000.0000 2620000.0000 3220000.0000 2490000.0000 2940000.0000 4230000.0000 4200000.0000 3820000.0000 1970000.0000 2000000.0000 1690000.0000 L-HISTIDINE 667000.0000 969000.0000 868000.0000 1190000.0000 899000.0000 1260000.0000 1370000.0000 960000.0000 1360000.0000 1290000.0000 920000.0000 460000.0000 1570000.0000 622000.0000 655000.0000 665000.0000 519000.0000 620000.0000 1090000.0000 928000.0000 716000.0000 691000.0000 631000.0000 678000.0000 L-SERINE 989000.0000 1780000.0000 1100000.0000 1280000.0000 1140000.0000 1700000.0000 1640000.0000 1390000.0000 1420000.0000 1350000.0000 1100000.0000 637000.0000 2000000.0000 1230000.0000 802000.0000 482000.0000 628000.0000 662000.0000 1710000.0000 1570000.0000 814000.0000 598000.0000 634000.0000 505000.0000 L-THREONINE 14100000.0000 13900000.0000 8950000.0000 13500000.0000 8930000.0000 11300000.0000 9830000.0000 10300000.0000 13400000.0000 13400000.0000 12200000.0000 7050000.0000 13500000.0000 10400000.0000 9080000.0000 5440000.0000 6990000.0000 6390000.0000 11400000.0000 13100000.0000 8890000.0000 5620000.0000 4740000.0000 5090000.0000 MYO-INOSITOL 174000000.0000 210000000.0000 190000000.0000 289000000.0000 140000000.0000 110000000.0000 174000000.0000 235000000.0000 184000000.0000 337000000.0000 299000000.0000 112000000.0000 164000000.0000 160000000.0000 164000000.0000 154000000.0000 191000000.0000 243000000.0000 143000000.0000 143000000.0000 186000000.0000 213000000.0000 111000000.0000 175000000.0000 NICOTINATE 1500000.0000 1530000.0000 1290000.0000 2390000.0000 524000.0000 1030000.0000 692000.0000 1740000.0000 1240000.0000 1670000.0000 1580000.0000 920000.0000 1300000.0000 1550000.0000 1160000.0000 302000.0000 624000.0000 783000.0000 809000.0000 670000.0000 1020000.0000 878000.0000 459000.0000 688000.0000 N-METHYL-D-ASPARTIC ACID 88000000.0000 109000000.0000 100000000.0000 75700000.0000 76200000.0000 77000000.0000 76600000.0000 75300000.0000 82400000.0000 99700000.0000 88700000.0000 63000000.0000 87000000.0000 78100000.0000 60800000.0000 41500000.0000 61600000.0000 57800000.0000 69500000.0000 78300000.0000 85900000.0000 49400000.0000 44700000.0000 44800000.0000 OROTATE 196000.0000 185000.0000 198000.0000 266000.0000 172000.0000 211000.0000 150000.0000 241000.0000 159000.0000 243000.0000 230000.0000 228000.0000 207000.0000 202000.0000 199000.0000 185000.0000 228000.0000 232000.0000 353000.0000 304000.0000 205000.0000 257000.0000 239000.0000 391000.0000 Proline 434000.0000 405000.0000 371000.0000 412000.0000 294000.0000 499000.0000 452000.0000 441000.0000 458000.0000 447000.0000 360000.0000 282000.0000 590000.0000 310000.0000 397000.0000 288000.0000 237000.0000 251000.0000 394000.0000 377000.0000 306000.0000 344000.0000 287000.0000 232000.0000 QUINATE 16000000.0000 18700000.0000 19000000.0000 74600000.0000 22800000.0000 17900000.0000 32700000.0000 21100000.0000 22300000.0000 31300000.0000 22500000.0000 16400000.0000 26500000.0000 15100000.0000 18500000.0000 19800000.0000 23000000.0000 21800000.0000 32700000.0000 20300000.0000 20400000.0000 61200000.0000 35100000.0000 42600000.0000 SALICYLATE 1130000.0000 911000.0000 1260000.0000 2150000.0000 1010000.0000 1360000.0000 749000.0000 1720000.0000 1390000.0000 2230000.0000 1570000.0000 599000.0000 1840000.0000 554000.0000 1230000.0000 364000.0000 376000.0000 789000.0000 1650000.0000 1250000.0000 414000.0000 4890000.0000 1180000.0000 2610000.0000 SUBERIC ACID 460000.0000 419000.0000 397000.0000 508000.0000 442000.0000 392000.0000 336000.0000 731000.0000 481000.0000 419000.0000 404000.0000 323000.0000 577000.0000 416000.0000 372000.0000 188000.0000 327000.0000 310000.0000 272000.0000 222000.0000 334000.0000 403000.0000 278000.0000 267000.0000 THYMIDINE 3170000.0000 3460000.0000 2180000.0000 3310000.0000 1070000.0000 2280000.0000 2120000.0000 3400000.0000 3940000.0000 4620000.0000 5190000.0000 2130000.0000 2270000.0000 2500000.0000 2810000.0000 1060000.0000 2020000.0000 3320000.0000 921000.0000 1300000.0000 1930000.0000 2430000.0000 783000.0000 1720000.0000 TRANS-ACONITATE 214000000.0000 189000000.0000 210000000.0000 223000000.0000 165000000.0000 205000000.0000 172000000.0000 172000000.0000 182000000.0000 212000000.0000 242000000.0000 242000000.0000 175000000.0000 169000000.0000 219000000.0000 182000000.0000 196000000.0000 215000000.0000 170000000.0000 184000000.0000 159000000.0000 224000000.0000 190000000.0000 195000000.0000 URATE 130000.0000 140000.0000 580000.0000 64900.0000 180000.0000 73000.0000 175000.0000 171000.0000 144000.0000 69700.0000 299000.0000 66100.0000 87000.0000 130000.0000 60300.0000 38900.0000 168000.0000 162000.0000 83400.0000 540000.0000 337000.0000 277000.0000 79100.0000 137000.0000 XYLITOL 2120000.0000 2480000.0000 3690000.0000 3040000.0000 3190000.0000 2310000.0000 2810000.0000 2890000.0000 4000000.0000 2290000.0000 3040000.0000 3790000.0000 6420000.0000 3090000.0000 3290000.0000 5200000.0000 4320000.0000 5390000.0000 3300000.0000 2000000.0000 5720000.0000 4100000.0000 3480000.0000 3290000.0000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 3-HYDROXYANTHRANILATE 154.0500 6.30 UFLORIDA_MS_RI 86 UFLORIDA_FEATURE 4-COUMARATE 8.28 UFLORIDA_MS_RI 637542 UFLORIDA_FEATURE 4-HYDROXYBENZALDEHYDE 8.03 UFLORIDA_MS_RI 126 UFLORIDA_FEATURE 4-HYDROXYBENZOATE 7.37 UFLORIDA_MS_RI 135 UFLORIDA_FEATURE 5-OXO-L-PROLINE 1.9 UFLORIDA_MS_RI 7405 UFLORIDA_FEATURE ALLANTOIN 0.80 UFLORIDA_MS_RI 204 UFLORIDA_FEATURE AZELAIC ACID 187.0974 8.59 UFLORIDA_MS_RI 2266 UFLORIDA_FEATURE BETA-ALANINE 0.79 UFLORIDA_MS_RI 239 UFLORIDA_FEATURE CAFFEATE 181.0497 7.73 UFLORIDA_MS_RI 1549111 UFLORIDA_FEATURE CHOLATE 407.2796 10.41 UFLORIDA_MS_RI 221493 UFLORIDA_FEATURE CITRATE 1.92 UFLORIDA_MS_RI 311 UFLORIDA_FEATURE DECANOATE 171.1390 11.94 UFLORIDA_MS_RI 2969 UFLORIDA_FEATURE D-GLUCURONIC ACID 193.0349 0.88 UFLORIDA_MS_RI 94715 UFLORIDA_FEATURE D-(+)-RAFFINOSE 503.1604 1.03 UFLORIDA_MS_RI 439242 UFLORIDA_FEATURE D-SACCHARIC ACID 0.82 UFLORIDA_MS_RI 33037 UFLORIDA_FEATURE D-SORBITOL 0.78 UFLORIDA_MS_RI 5780 UFLORIDA_FEATURE FERULATE 195.0652 8.43 UFLORIDA_MS_RI 445858 UFLORIDA_FEATURE GLUCONIC ACID 0.83 UFLORIDA_MS_RI 10690 UFLORIDA_FEATURE GLYCERATE 0.91 UFLORIDA_MS_RI 439194 UFLORIDA_FEATURE GLYCOLATE 0.94 UFLORIDA_MS_RI 757 UFLORIDA_FEATURE GUANOSINE 284.0989 6.01 UFLORIDA_MS_RI 6802 UFLORIDA_FEATURE L-ASPARAGINE 0.79 UFLORIDA_MS_RI 6267 UFLORIDA_FEATURE L-ASPARTATE 0.79 UFLORIDA_MS_RI 5960 UFLORIDA_FEATURE L-GLUTAMINE 0.79 UFLORIDA_MS_RI 5961 UFLORIDA_FEATURE L-HISTIDINE 0.78 UFLORIDA_MS_RI 6274 UFLORIDA_FEATURE L-SERINE 0.79 UFLORIDA_MS_RI 5951 UFLORIDA_FEATURE L-THREONINE 0.8 UFLORIDA_MS_RI 6288 UFLORIDA_FEATURE MYO-INOSITOL 179.0560 0.80 UFLORIDA_MS_RI 892 UFLORIDA_FEATURE NICOTINATE 1.57 UFLORIDA_MS_RI 938 UFLORIDA_FEATURE N-METHYL-D-ASPARTIC ACID 0.84 UFLORIDA_MS_RI 22880 UFLORIDA_FEATURE OROTATE 155.0097 1.32 UFLORIDA_MS_RI 967 UFLORIDA_FEATURE Proline 0.92 UFLORIDA_MS_RI 614 UFLORIDA_FEATURE QUINATE 193.0708 0.85 UFLORIDA_MS_RI 6508 UFLORIDA_FEATURE SALICYLATE 137.0243 9.40 UFLORIDA_MS_RI 338 UFLORIDA_FEATURE SUBERIC ACID 7.89 UFLORIDA_MS_RI 10457 UFLORIDA_FEATURE THYMIDINE 241.0828 6.23 UFLORIDA_MS_RI 5789 UFLORIDA_FEATURE TRANS-ACONITATE 173.0090 3.51 UFLORIDA_MS_RI 444212 UFLORIDA_FEATURE URATE 1.86 UFLORIDA_MS_RI 1175 UFLORIDA_FEATURE XYLITOL 151.0610 0.81 UFLORIDA_MS_RI 6912 UFLORIDA_FEATURE METABOLITES_END #END