#METABOLOMICS WORKBENCH krueger_20231003_090520 DATATRACK_ID:4369 STUDY_ID:ST002909 ANALYSIS_ID:AN004775 PROJECT_ID:PR001809 VERSION 1 CREATED_ON October 3, 2023, 11:37 am #PROJECT PR:PROJECT_TITLE Plasma metabolomics reveals distinct biological and diagnostic signatures for PR:PROJECT_TITLE melioidosis PR:PROJECT_SUMMARY Rationale: The global burden of sepsis is greatest in low-resource settings. PR:PROJECT_SUMMARY Melioidosis, infection with the Gram-negative bacterium Burkholderia PR:PROJECT_SUMMARY pseudomallei, is a frequent cause of fatal sepsis in endemic tropical regions PR:PROJECT_SUMMARY such as Southeast Asia. Objectives: To investigate whether plasma metabolomics PR:PROJECT_SUMMARY would identify biological pathways specific to melioidosis and yield clinically PR:PROJECT_SUMMARY meaningful biomarkers. Methods: Using a comprehensive approach, differential PR:PROJECT_SUMMARY enrichment of plasma metabolites and pathways was systematically evaluated in PR:PROJECT_SUMMARY individuals selected from a prospective cohort of patients hospitalized in rural PR:PROJECT_SUMMARY Thailand with infection. Statistical and bioinformatics methods were used to PR:PROJECT_SUMMARY distinguish metabolomic features and processes specific to melioidosis patients, PR:PROJECT_SUMMARY and between fatal and non-fatal cases. Measurements and Main Results: PR:PROJECT_SUMMARY Metabolomic profiling and pathway enrichment analysis of plasma samples of PR:PROJECT_SUMMARY melioidosis (n=175) and non-melioidosis infections (n=75) revealed a distinct PR:PROJECT_SUMMARY immuno-metabolic state among patients with melioidosis, as suggested by PR:PROJECT_SUMMARY excessive tryptophan catabolism in the kynurenine pathway and significantly PR:PROJECT_SUMMARY increased levels of sphingomyelins and ceramide species. We derived a PR:PROJECT_SUMMARY 12-metabolite classifier to distinguish melioidosis from other infections, PR:PROJECT_SUMMARY yielding an area under the receiver operating characteristic curve of 0.87 in a PR:PROJECT_SUMMARY second validation set of patients. Melioidosis non-survivors (n=94) had a PR:PROJECT_SUMMARY significantly disturbed metabolome compared to survivors (n=81) with increased PR:PROJECT_SUMMARY leucine, isoleucine and valine metabolism, and elevated circulating free fatty PR:PROJECT_SUMMARY acids and acylcarnitines. A limited 8-metabolite panel showed promise as an PR:PROJECT_SUMMARY early prognosticator of mortality in melioidosis. Conclusions: Melioidosis PR:PROJECT_SUMMARY induces a distinct metabolomic state that can be examined to distinguish PR:PROJECT_SUMMARY underlying pathophysiological mechanisms associated with death. A PR:PROJECT_SUMMARY twelve-metabolite signature accurately differentiates melioidosis from other PR:PROJECT_SUMMARY infections and may have diagnostic applications. PR:INSTITUTE University of Washington PR:DEPARTMENT Medicine PR:LAST_NAME Gharib PR:FIRST_NAME Sina PR:ADDRESS Center for Lung Biology, 850 Republican St, Seattle WA 98109 PR:EMAIL sagharib@uw.edu PR:PHONE 206-221-0630 PR:FUNDING_SOURCE NIH (R01HL113382, R01AI137111, R01GM114029, R21AI173435) and the Wellcome Trust PR:FUNDING_SOURCE (090219/Z/09/Z, 101103/Z/13/Z) PR:CONTRIBUTORS Lu Xia, T. Eoin West #STUDY ST:STUDY_TITLE Plasma metabolomics reveals distinct biological and diagnostic signatures for ST:STUDY_TITLE melioidosis ST:STUDY_SUMMARY Rationale: The global burden of sepsis is greatest in low-resource settings. ST:STUDY_SUMMARY Melioidosis, infection with the Gram-negative bacterium Burkholderia ST:STUDY_SUMMARY pseudomallei, is a frequent cause of fatal sepsis in endemic tropical regions ST:STUDY_SUMMARY such as Southeast Asia. Objectives: To investigate whether plasma metabolomics ST:STUDY_SUMMARY would identify biological pathways specific to melioidosis and yield clinically ST:STUDY_SUMMARY meaningful biomarkers. Methods: Using a comprehensive approach, differential ST:STUDY_SUMMARY enrichment of plasma metabolites and pathways was systematically evaluated in ST:STUDY_SUMMARY individuals selected from a prospective cohort of patients hospitalized in rural ST:STUDY_SUMMARY Thailand with infection. Statistical and bioinformatics methods were used to ST:STUDY_SUMMARY distinguish metabolomic features and processes specific to melioidosis patients, ST:STUDY_SUMMARY and between fatal and non-fatal cases. Measurements and Main Results: ST:STUDY_SUMMARY Metabolomic profiling and pathway enrichment analysis of plasma samples of ST:STUDY_SUMMARY melioidosis (n=175) and non-melioidosis infections (n=75) revealed a distinct ST:STUDY_SUMMARY immuno-metabolic state among patients with melioidosis, as suggested by ST:STUDY_SUMMARY excessive tryptophan catabolism in the kynurenine pathway and significantly ST:STUDY_SUMMARY increased levels of sphingomyelins and ceramide species. We derived a ST:STUDY_SUMMARY 12-metabolite classifier to distinguish melioidosis from other infections, ST:STUDY_SUMMARY yielding an area under the receiver operating characteristic curve of 0.87 in a ST:STUDY_SUMMARY second validation set of patients. Melioidosis non-survivors (n=94) had a ST:STUDY_SUMMARY significantly disturbed metabolome compared to survivors (n=81) with increased ST:STUDY_SUMMARY leucine, isoleucine and valine metabolism, and elevated circulating free fatty ST:STUDY_SUMMARY acids and acylcarnitines. A limited 8-metabolite panel showed promise as an ST:STUDY_SUMMARY early prognosticator of mortality in melioidosis. Conclusions: Melioidosis ST:STUDY_SUMMARY induces a distinct metabolomic state that can be examined to distinguish ST:STUDY_SUMMARY underlying pathophysiological mechanisms associated with death. A ST:STUDY_SUMMARY twelve-metabolite signature accurately differentiates melioidosis from other ST:STUDY_SUMMARY infections and may have diagnostic applications. ST:INSTITUTE University of Washington ST:LAST_NAME Gharib ST:FIRST_NAME Sina ST:ADDRESS Center for Lung Biology, 850 Republican St. Seattle WA 98109 ST:EMAIL sagharib@uw.edu ST:PHONE 206-221-0630 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 1 Group:control age=49; sex=M; mortality=NA SUBJECT_SAMPLE_FACTORS - 2 Group:control age=53; sex=M; mortality=NA SUBJECT_SAMPLE_FACTORS - 3 Group:control age=37; sex=M; mortality=NA SUBJECT_SAMPLE_FACTORS - 4 Group:control age=65; sex=F; mortality=NA SUBJECT_SAMPLE_FACTORS - 5 Group:control age=48; sex=F; mortality=NA SUBJECT_SAMPLE_FACTORS - 6 Group:control age=67; sex=M; mortality=NA SUBJECT_SAMPLE_FACTORS - 7 Group:control age=41; sex=F; mortality=NA SUBJECT_SAMPLE_FACTORS - 8 Group:control age=45; sex=M; mortality=NA SUBJECT_SAMPLE_FACTORS - 9 Group:control age=42; 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sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 209 Group:melioid age=70; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 210 Group:melioid age=47; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 211 Group:melioid age=33; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 212 Group:melioid age=67; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 213 Group:melioid age=44; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 214 Group:melioid age=66; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 215 Group:melioid age=56; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 216 Group:melioid age=60; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 217 Group:melioid age=69; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 218 Group:melioid age=64; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 219 Group:melioid age=55; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 220 Group:melioid age=62; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 221 Group:melioid age=84; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 222 Group:melioid age=33; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 223 Group:melioid age=51; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 224 Group:melioid age=49; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 225 Group:melioid age=69; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 226 Group:ecoli age=36; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 227 Group:ecoli age=74; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 228 Group:ecoli age=40; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 229 Group:ecoli age=83; sex=F; mortality=dead SUBJECT_SAMPLE_FACTORS - 230 Group:ecoli age=82; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 231 Group:ecoli age=49; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 232 Group:ecoli age=71; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 233 Group:ecoli age=67; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 234 Group:ecoli age=61; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 235 Group:ecoli age=74; sex=F; mortality=dead SUBJECT_SAMPLE_FACTORS - 236 Group:ecoli age=63; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 237 Group:ecoli age=68; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 238 Group:ecoli age=70; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 239 Group:ecoli age=82; sex=F; mortality=dead SUBJECT_SAMPLE_FACTORS - 240 Group:ecoli age=54; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 241 Group:ecoli age=51; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 242 Group:ecoli age=66; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 243 Group:ecoli age=61; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 244 Group:ecoli age=58; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 245 Group:ecoli age=72; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 246 Group:ecoli age=67; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 247 Group:ecoli age=85; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 248 Group:staph age=48; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 249 Group:staph age=51; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 250 Group:staph age=64; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 251 Group:staph age=82; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 252 Group:staph age=64; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 253 Group:staph age=37; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 254 Group:staph age=70; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 255 Group:staph age=65; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 256 Group:staph age=22; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 257 Group:staph age=75; sex=F; mortality=dead SUBJECT_SAMPLE_FACTORS - 258 Group:staph age=59; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 259 Group:staph age=47; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 260 Group:staph age=70; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 261 Group:staph age=44; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 262 Group:staph age=68; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 263 Group:staph age=27; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 264 Group:klebs age=38; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 265 Group:klebs age=78; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 266 Group:klebs age=75; sex=F; mortality=dead SUBJECT_SAMPLE_FACTORS - 267 Group:klebs age=62; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 268 Group:klebs age=77; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 269 Group:klebs age=64; sex=F; mortality=dead SUBJECT_SAMPLE_FACTORS - 270 Group:klebs age=80; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 271 Group:klebs age=36; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 272 Group:klebs age=32; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 273 Group:klebs age=95; sex=F; mortality=dead SUBJECT_SAMPLE_FACTORS - 274 Group:klebs age=44; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 275 Group:klebs age=74; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 276 Group:klebs age=45; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 277 Group:klebs age=68; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 278 Group:klebs age=63; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 279 Group:culture neg age=46; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 280 Group:culture neg age=55; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 281 Group:culture neg age=45; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 282 Group:culture neg age=25; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 283 Group:culture neg age=89; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 284 Group:culture neg age=67; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 285 Group:culture neg age=44; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 286 Group:culture neg age=67; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 287 Group:culture neg age=63; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 288 Group:culture neg age=82; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 289 Group:culture neg age=66; sex=F; mortality=dead SUBJECT_SAMPLE_FACTORS - 290 Group:culture neg age=79; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 291 Group:culture neg age=39; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 292 Group:culture neg age=65; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 293 Group:culture neg age=77; sex=F; mortality=dead SUBJECT_SAMPLE_FACTORS - 294 Group:culture neg age=51; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 295 Group:culture neg age=40; sex=M; mortality=alive SUBJECT_SAMPLE_FACTORS - 296 Group:culture neg age=54; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 297 Group:culture neg age=69; sex=M; mortality=dead SUBJECT_SAMPLE_FACTORS - 298 Group:culture neg age=53; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 299 Group:culture neg age=23; sex=F; mortality=alive SUBJECT_SAMPLE_FACTORS - 300 Group:culture neg age=76; sex=F; mortality=dead #COLLECTION CO:COLLECTION_SUMMARY Subjects at least 18 years of age admitted to Sunpasitthiprasong Hospital in CO:COLLECTION_SUMMARY Ubon Ratchathani, Thailand with suspected community-acquired infection were CO:COLLECTION_SUMMARY sequentially and prospectively enrolled within 24 hours of admission into the CO:COLLECTION_SUMMARY “Ubon-Sepsis” parent study from 2013 through 2017. Plasma samples were CO:COLLECTION_SUMMARY obtained from all participants at the time of enrollment. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY N/A #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolon standard protocol #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Low pH polar (LC/MS Pos early) CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um) CH:SOLVENT_A 100% water; 0.1% formic acid; 0.05% PFPA, pH ~2.5 CH:SOLVENT_B 100% methanol; 0.1% formic acid; 0.05% PFPA, pH ~2.5 CH:FLOW_GRADIENT Linear gradient from 5% B to 80% B over 3.35 minutes CH:FLOW_RATE 0.35 mL/min CH:COLUMN_TEMPERATURE 40-50 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE Other MS:ION_MODE POSITIVE MS:MS_COMMENTS Metabolon (LC/MS Pos early) #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 Factors Group:control Group:control Group:control 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148919.8594 195882.25 299289.75 131469.2188 56158.7656 3811612 85301.1875 181853.6406 336439.2813 224771.7969 106948.0625 92513.5547 68123.6094 143305.0313 104131.8516 81556.4219 73190.8438 160609.2344 93913.2656 112693.2031 335816.9688 148476.3281 104229.9453 159640.8125 26150.7773 4315226.5 207696.0313 201821.8594 276216.9375 3189447.75 4836059 122998.9453 287584.8125 388218.8438 205462.1719 229314.9844 121625.1484 165288.8906 110961.7891 1844635.375 93509.3906 89909.8125 53798.6797 69540.625 261107.875 338948.4375 419190.2813 62369.5977 686872.9375 133262.2969 97159.6016 82600.9453 48442.5195 79461.3359 101101.4531 65198.8164 164073.6875 43833.7813 "5,6-dihydrothymine" 1180550.125 1825216.375 1794647.375 1334094 1426931.75 1048425.625 1100871.25 2001260.125 1203293.125 2375878.75 1207606.5 1342742.125 1184801.625 1189050.375 2021966.125 1801864 1921946.75 1593007 2261653 1727992.25 1247388.125 2021583.5 1466062.875 1423195.75 1587223.125 1192832.25 5125237 1838506.125 2163833.25 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32186644 2503675 15497988 460486.9688 1304283.375 21103256 2860512.25 420438.2188 6175401 4890990.5 3443080.75 1190491.75 8401660 5204404.5 1857566.25 10032945 1299091.25 23031254 627140.125 3311203 911562.375 6191260.5 1278908.625 864472 5443689.5 193476.9844 1531995.375 5375421 12090709 8205175 1308240.875 4697277 407301.75 15440560 2219673.75 404975.625 11114102 3854112.25 7528061 398395.8125 3722997.75 2407750 6583276 14043803 14767213 N-formylkynurenine 84356.0156 145364.0469 185632.6094 221062.2188 201979.2031 226167.5469 224554 153035.7813 372256.9688 357079.4375 216765.6875 223457.0156 360500.7813 142867.25 179413.2813 281039.625 120775.75 174104.75 178341.375 159035.7188 122143.1641 278376.8438 251098.3906 288668.5313 264625.3438 304940.2813 317664.75 161089.8906 240911.5781 167462.3125 242377.3594 239390.3438 225492.1094 169435.1719 347169.1875 257785.5 159894.6406 213935.7344 256920.75 577485.8125 336216.7813 372791.3125 313078.5938 320777.9688 761316.0625 1104854.5 433173.1563 238026.4375 998348.75 136875.8125 2226942.75 1933035.5 420527.5938 617432.25 1705766 1416838.5 261649.7656 597583.375 160798.2031 2437249.5 738866.25 283721.8125 2240435.5 262402.6875 2735064.25 308153.8438 2021346.25 256473.2031 1136019 99119.0156 3126005.75 295815.5938 355973.5313 274677.8125 2017028.625 1264083.75 152537.0781 524326.0625 624746.9375 1648329.125 1078946.5 9129169 1645128.875 1792670.625 247594.3281 1564012 245729.8281 1440598.625 443373.6563 288492.7813 472879.4375 277772.0625 1907556.625 1407107.125 515875.5 2891179.5 3131865.5 733458.875 2199716.75 215493 773295.9375 1415276 1127028.5 355876.375 246903.75 1070079.875 704658.3125 261691.875 142727.1875 554392.9375 239057.1406 1489991.375 413676.7813 645659.625 288134.125 526470.6875 372226.2188 1747789 855712.1875 956208.3125 1945983.25 2842033 271364.9375 1501983 3186095.75 893216.75 881510 639910.75 2410962 3619831.75 642747.5625 1227131.25 427236.5 2431701 521927.5625 307625.0938 616137.5625 794648.0625 311394.2188 3229174.25 389235.125 476777.3125 1197585.625 2047208.5 213839.5313 348745.875 284830.375 703775.9375 1096423.625 592480.3125 243446.9688 1201175.875 197479.5 1626690.875 2231912.75 480428.7188 317138.4375 457381.5625 412127.1875 141919.4219 195024.4688 486376.6563 883173.75 551136.5625 2201188 1805157.25 616615.25 385730.875 494622.3125 1380688 563755.8125 502868 2933006 555801 1647223 216020.6406 686464 361866.5313 174534.2344 288458 818508.9375 2606882.75 544996.1875 1369811.875 1267081.25 127093.0625 1091037 490499.5 801567.125 1975194.5 425921.2813 561561.125 572799.375 1198106.25 1709412.375 172457.25 1143726.75 3537179.75 3469732.75 191102.5469 1223846.125 648506.75 219596.2188 445363.75 298615.25 231989.1406 913531.0625 656225.5625 1320383.25 369786.2188 186779.75 994556.3125 573544 569270.25 696023.75 2415858.5 861059.3125 619467.9375 794954.75 386117.9375 3970648.25 1763429.625 681692 201085.3906 99773.9844 495859.875 330470.4063 390620.2813 1710719.25 1181691.875 601648.4375 904325.875 897911.3125 160428.8906 369461.3438 1298430.625 1344805.5 157267.5781 227617.7656 553037.5625 819782.3125 199371.1094 175394.2656 95681.4375 290842.875 837548.8125 439784.6875 777195 185606.7031 838728.6875 1338439.875 769740.125 507598.0938 1992455.375 208369.2031 1405689.875 193894.8594 131711.1094 1298321.375 361737.3125 206449.5469 1849289 500175 490499.5 1762352 320829.7188 331374.7188 415033.8125 1004623.375 128248.7031 1694441.375 88658.3672 215684.3281 392082.4688 433017.5625 396674.5313 333790.5625 302856.6563 285639.75 296636.5313 413360.25 1256054.125 901010.75 1512541 852352.3125 292998.1875 1636319.625 347679.2188 295469.875 877519.4375 464617.4688 554561.5625 118555.375 172035.0625 442984.1875 322062.0938 1389348 939169.625 N('1)-acetylspermidine 741522.5 1248510.375 960862.1875 987226.4375 806861.75 612970.125 708525.75 952586.125 802483.8125 2341538.25 932958.0625 1263132.375 513790.1563 630012.9375 995020.875 932384.375 937179.6875 968889.6875 1376827.75 1201484.375 1084693.25 1436349 1085443.625 1037606.188 679236.875 2132586 684610.75 1387072.25 1012000.688 1207153.25 260019.1563 1566353.375 467585.75 1014411.875 401738.1875 1365515.25 1588426 1506994.125 815225.5625 1035240.875 884289.75 686048.6875 1122383.5 861717.875 1763110.625 881203.875 786747.875 1504797.5 8832402 31637854 3064490 10190544 50017864 6980813 1769217.5 2003060.125 1317582.375 3595333 12168299 3304772.5 42669528 2886632.75 18191886 2256170.75 1738509.75 2137038.5 18924664 6461928.5 19392666 1372662.125 2851865 3546584.75 28817100 6811445 2280985.5 5698390 5720793 4850768.5 2923328 5652596.5 13989107 3324717.75 5994410 20361692 1743740.625 3272430 7874785.5 1974052.75 3425758.25 983619.375 72079304 28622718 5708929.5 10630558 13520489 19328732 5547830.5 1600516.5 15839540 4868623.5 7232994.5 5832727 2350113.5 4793002.5 3329548.25 2557989.25 2432378 2282477.25 2757462.25 9113605 4240583.5 4735637.5 2610282.25 2390463.75 2565622 24245136 9971074 8226888 26623284 7002719 4205750.5 6571765 48265908 5590459.5 5217216 3460920 5228233.5 10937484 17798354 3068911.25 3738663.75 5493539 4528757 1361890.25 7266112.5 1811113.375 1916428 25734788 2470584 29330094 26574602 8235287 2036195.375 1040211.625 2246268.75 4231265 7158356.5 3521382.75 4202643.5 2622565.75 1164857.25 2127669.5 25867276 1531180.25 13423033 11337636 3839927.75 2010250.25 2743110.5 3429647 2387347.75 2965991 13077934 2982978.5 14423049 3590222.25 19209616 2622524.75 6744920 2499541 24641100 22368898 1558139 1887664.25 3451323.75 6592644 1676272.75 3740023 7560463.5 8166552 4660532 8762356 27268662 2083036.875 8884126 2068603.375 42548916 4243026 4789833.5 4525253 3657487.25 12374241 4227014.5 7539237.5 1901692.5 6242681 7925843 1934094.875 14898833 2528058 121499000 1339537.25 1981260.75 2348762 5794062.5 7511273.5 4815076.5 13207273 69004152 2312183.75 7090286.5 4032770 4485763.5 3516789.75 2376205.5 12959098 4848642 4131426 2447939 4256446.5 14941114 4709696 8273471.5 1735540.5 1969131.75 10650035 3698185.25 2563005 3181114 56340048 10810366 21784872 6644455 5851052 7109011 29325430 8773174 1804698 2083007.75 11815103 12495945 3477937.25 1376297.25 1431450 2308511.25 10904714 6580987 6400395 1591608.875 14163146 15379471 3181411 12898386 57213900 15895601 4426221 1839868.75 4653781.5 43692452 10605621 1545387.5 26558056 3308330 7066146.5 3269091.25 3809105.75 5028362 2986239 7081413.5 3670348 29686914 3670348 3575737.5 2723289.75 3251433.25 4878496.5 2313203.25 4133287.25 935820.6875 1891460.125 3642510.75 9867423 12433917 5172362.5 4313885 4645739 6808200.5 5905170 3504261 2404223 11439945 4041956.5 3056065 1469254.125 5386796.5 2863682 10059086 5857220.5 "N6,N6,N6-trimethyllysine" 31321548 20894880 54339960 11861410 32560802 23219706 40449140 25290928 34424176 21703788 53847032 10752243 34274052 8646989 29058388 8404014 22271484 12411719 27048008 46788592 22271466 20191086 44551024 37212076 51945820 25750694 37418596 22568606 17943108 33953776 41094068 19047816 33298386 40857800 29892716 25528582 39982384 32052624 41960532 18820080 17564474 22575232 23569204 34060152 35820048 37621824 39778304 25844126 13079281 29557858 191909136 96843808 31484850 94803832 103875784 64420556 43256344 28162008 19249700 123848832 102302136 79725104 194584432 40194280 96772400 32845434 147426720 16814658 56117272 28828618 116693504 34975152 38982424 32176476 100184256 122207288 26199426 46683184 77475152 96712464 110350040 83646712 135555808 105940472 20048354 108616488 18168726 120181656 86927560 22973702 53255464 14816588 143546752 104831808 92751568 120044096 172067920 115920480 142635856 15090453 33903244 66222736 77564480 50445452 27168464 57163340 67025984 36454328 19168296 18626296 43588520 64339596 65505292 44860396 30720466 55537632 54111224 194862400 134253008 103309000 127815992 134162352 27565864 69292424 123149104 109986064 40781988 69909536 53095832 175664048 60570956 540017024 38131024 153439360 50916624 28709608 142431392 70581864 41915112 163893472 29069566 98525416 252535984 123442160 19808342 24451772 45143784 40304292 114466920 48662476 52139556 132980160 30090536 41530056 202845888 60969552 78000216 131802208 83653920 33579744 30415400 41158660 172035504 60307380 121303768 98807960 106596376 83329584 121161312 87687056 96009592 47324888 44027868 38282044 45973440 35413472 122267840 123893256 40756700 21179452 76336520 154789216 46759516 176378336 266324544 28152048 101521352 50434944 140966976 128510664 94637928 181360704 23263220 156238720 43579556 126047088 19177802 199828512 169361344 32272116 115424184 29677716 144895936 154965776 32254568 41937612 57736700 90966576 63773820 77528824 95107024 49480016 35772012 59267196 86823176 68200896 37563400 134822336 89123232 90171304 66146084 93490848 248525920 157297152 82108624 25742450 25075990 64596620 25830160 37776604 63485276 117914112 52380368 240963792 114219368 61910676 122448000 216413920 118327976 27382750 66624524 75736560 88629576 57783024 16408081 31335502 48834824 143348720 52271600 62025552 15607743 71941552 94120168 54561804 109490816 419979968 49289836 61585580 25806966 23068872 143905248 45071220 21763514 127919072 68866496 38097824 39183536 63058524 63029132 40281688 50932472 57455368 137817504 33842164 25576230 9538042 56605436 53334288 38952992 74431064 32403522 15827349 34875216 72607408 33361518 69775424 88666024 26588532 112992784 80049232 35347888 53334288 48622964 86807968 24450348 41628192 87106912 26606956 81417640 54288208 N-acetylputrescine 2446220.5 2007229.5 1585448.125 1822894.625 1139480.875 4962456.5 2630191.5 2142598 1399431.625 2188135 1759763.875 2452788 1209411.375 1301440.625 1840572.125 2495862.75 2270453 2331426.75 1516127 3181895 1681407.625 2672602.5 1986113 3054814.75 2035347.625 1720230 2926364 2075309.25 1736618.625 2153983.25 2506890.25 1153359.5 2131096.5 1901752 2558269 1583803.375 1956553.5 3049157.5 2684938 3224416.25 1973424.875 2731637.25 2939381.5 1710500.625 3084948.25 3231427.5 2720978 1706395.25 2780921.75 2904694 8023004 15683255 2454101.75 5279288.5 6317329.5 1990583.25 1846788 2190368 1386980.5 15143239 5206168 3212980 11531148 3447255.75 28878066 1638720.875 8707009 1414308.75 8800835 10015899 6455799 2373984.25 2364049.5 2456722 7226434 11183243 1677342.625 5633291.5 7932514.5 13662295 5660765 10556482 7095248.5 16908544 10663448 1305492.375 1827476 17296710 5382408 1963222.5 4679209.5 1130461.25 9360578 2593209.75 7500626 11110312 37819460 2616739 4215213.5 811837.125 4064785.75 4745982.5 2892541 3170476.75 3052463.75 4126668.25 3307884.25 2001962 1535052.75 3714587 1961055.375 4948630.5 5263330.5 3934048.5 5154199 6942229 2329934.75 26102486 3849006.5 7171399.5 11935774 9677470 4138407.75 5118871 2235311.75 8878237 2764672.75 3454954.25 2923143.5 10041021 3001638.25 7043556 1548131.75 12380620 1781737.875 4255743 5435043.5 3288055.75 4029267.25 21705786 3567777.75 6726736 7228012.5 17707560 2739844.5 2173846.25 1644794.5 2901215.5 3777586.75 3852129 1428966.25 11145446 922233.0625 3257691.5 15218739 2636374.75 4145827 18910302 3933962.5 1371551.875 929001.6875 1050833.375 10038958 2147028.5 5534595 6891657.5 3744764.75 6286954.5 10730490 3934134.75 2948924.75 3051208.75 11623728 1755658.25 1982764 1949246.375 7176795.5 3563345 1543860.5 5844511 2087925.75 8795906 3174290 8782875 10479473 5127861.5 4469701 3106013 8786578 6948292.5 2572358.75 4280931.5 2052565.125 12725396 10028247 13436524 3521283.25 19257888 18910418 1540497.5 11674322 3041816.5 8674757 5130459 1359642.875 8076242 3610225 3934048.5 9473637 10676509 13448703 2332199 1330471 10291987 4744425.5 4149084.75 2487144 17558762 4428013.5 7981838.5 4003451.75 5231286 14413692 14699989 4380726 2764466.75 3204766.5 7274740.5 19310858 4109320.5 3481399 19156024 5886111.5 14837753 21337626 10476198 3975408 10625051 4803800.5 1937127.875 4775623 7305288.5 6463904 4975028.5 10958773 5555839.5 8347583 8889597 8018302 11879684 902781.5625 17996560 6430940 6263379.5 2230872.5 3635584.5 10608636 8733710 1012254.813 4917526 72507296 1439044.375 737209.625 29014222 4258664 4074708.75 4781937.5 1845745.875 19048798 1636880.875 8333543.5 887563.75 12495246 6754313.5 3900577.75 2587419.5 8073565.5 2908158.5 1172771.75 6109414 3498888.5 2086688.125 4312263.5 3105689.75 13892389 14391730 16698488 2163123.5 13915039 6648427.5 2526153.25 11784234 4875007 5310521.5 3761336.5 2639237.5 3995277.5 1887414.375 4600619.5 17114862 AMP 252901.5156 2090680.375 261918.2031 395714.9063 1799831.375 513267.9688 461141.4688 341400.75 1277885.625 195562.7813 400650.1875 1180288.75 392595.375 307306.6563 250787.8125 398815.4688 849055.5 453463.5938 3048569 379943.1875 406042.4063 133556.7344 236048.7188 373642.5 660726 416340.9688 213157.0781 480015.0313 142982.9688 191284.2344 333656.6875 350651.2188 345624.7188 341532.5313 268821.4375 1449999.25 206541.2031 1916264.25 2943730 327907.2813 340295.9375 279600.75 1406498.5 368505.0313 638576.6875 415448.4688 279553.2813 277139.7188 1151556.5 420676.2188 1778381.375 3776183 1297258.875 1211221.25 1329341.25 791663.8125 1996001 432286.625 1034238.813 764664.6875 793657.5 1089971.75 819567.75 1302827 1922518.625 200290.1094 1735196.75 858753.125 492357.9375 950315.875 617184.9375 282079.3125 475368.4063 1311075.875 459680.6875 11148094 1384073.375 724354.5 484425.0938 2573905.5 526515 1102097 2723220.25 1371184.125 2197028 686613.9375 952525.5625 592069.5625 1886713.75 2086951.875 6560549.5 591528.625 10632841 829573.3125 1735378.625 6939291 528607.75 317390.2188 1004478.063 3310075.5 267270.4375 718495.375 269254.1563 1887354.625 1116501 367133.0313 1440636.125 1463888.75 1220357 246819.3906 673977.75 14983547 954145.3125 5065136 332408.0313 994209.5625 372588.2188 3469688.5 11397688 331302.2188 1331694.875 3149016.5 1014157.688 332769 10936896 7883669 931583.625 450856.9375 738316.5 635329.3125 1584658.375 18345942 1178219.25 676570.6875 275862.6875 4927133 1638778.875 851957.0625 718643.5 1529271.25 1649211.5 2272781.25 1342105.75 615140.25 450985.125 1082287.125 1374862.375 633758.3125 1602993.5 3664066.5 2585606.75 4829058.5 1019733.438 1336594.125 611387.9375 772384.1875 6434374 1984959 687371.875 799775.3125 1594209 1224535.25 649344.75 1181728.5 550148.3125 513057.5938 747860.1875 915185.8125 3528773.25 773498.875 523080.9375 472934.875 7929428.5 447793 1656937.375 596933.3125 846153.9375 1291010.25 425380.8438 1495734.125 986943.625 1035309.5 4202371 1250620.875 808642.375 805230.0625 1202089.875 1184587.625 2590066.25 709900.75 1438142.375 2285921.75 1648809.875 1184208.5 306417.4688 842940.9375 2025081.625 1559076.75 806033.25 1402295.25 1070079 2928043 5379397 1419077.125 739721.625 849055.5 1078083.25 792644.75 1637588.75 1728171.375 3219029.75 496402.8125 1673819.375 978100.25 1815333.125 679770.4375 353898.375 1235916.5 1520035.75 1672085.5 384110.4063 643296.625 567009.875 2176843.5 334260.5625 465179.875 980349.5625 806246.6875 436400.0625 768510.125 449549.125 4537062 184288.5625 1186330 285777.1563 14444954 333566.5 601897.0625 2081986.875 250146.3906 3757181.75 864428.5625 327351.2813 1284060.125 472351.0625 785639.6875 894020.3125 1840845.375 1234699.875 752135.5 276243.1563 497685.5625 283415.6875 312504.5 1597050.75 647161 1687070.625 2195308.5 933304.5 368765.125 67136544 767731.5 2325658.75 688187.6875 4114266.5 2455794.5 707538.875 353725.9688 1423112.625 999368.3125 3443200.5 1543050.75 563268.4375 372458.2813 837169.8125 934413.125 545526.375 1398073 3980996.75 399692.3125 293325.6563 1995347.125 791825.75 1572682 2806619 2084483.25 1800238.25 407823.1563 6322716.5 515154.6563 295023.4375 608902.125 416933.8438 580682.1875 352620.4063 1597476.125 232352.4531 1582270.375 395164.0625 598949 5-methylthioadenosine (MTA) 599304.4375 470945.8125 657600.3125 539032.375 498415.5625 581245.125 554478.625 699023.0625 565450.1875 1536372 666020.75 469214.0625 577535.5625 435024 327902.2188 654254.5 487283.9688 848307.0625 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3643985.5 7877267.5 6540670.5 58088804 4548991.5 7345490 9021170 53723292 2769381.5 16924314 19659170 6104352.5 5589114.5 7093512 14749540 46514412 7453308 21516388 5092303 29783006 3458238.25 3054775 10664447 4749878 3545157.75 32498112 7708001.5 5119969 13357904 21103744 3572225 3162138 3707177.75 4870508 18602012 6512640.5 8028451 19479434 3399144.5 18097928 36982416 7049293.5 6091382 9208377 10926744 4064882.75 6452853 5240649 8269840.5 4654336 37795248 6697350.5 9541001 5518934.5 9233560 5236568 4753404.5 3597700.5 35435344 5683832 4370518.5 4878959 10846796 6449013 2235469.5 9021676 5515670.5 34210032 11115688 34282840 17934998 5452589.5 16807616 6784390 19681444 16158913 8530531 23186722 3222246.25 24775316 5310384.5 39876756 3928150.25 23980636 46460216 3438565.75 40917560 4782571 19998252 12771941 2354938.5 4359663.5 5887607 2497175 17408818 14366261 16473991 3246335.75 4155793.75 12528654 13934485 6997152.5 3538037.75 37004332 13247234 13570913 8108261 5001525.5 68977120 24638792 4153581.25 1839800 2772862.75 14047339 6622627 3570488.25 6119832.5 15960410 3131501 23409612 16009615 7255333 5370342.5 36234784 55192604 1882214.625 24062930 8012557.5 9734234 9076450 6660067 3378050.5 15546027 11941189 15664973 23303826 1766119.125 9684782 46666296 21045032 6967137.5 41377136 22294960 36228840 2310514.75 4050377.5 23599368 4116838.25 2077740.5 43362304 8917012 4434609.5 4633681.5 9719441 29727048 3997204.5 46331372 3155083 35950988 2764844.5 2873835.75 2253093.5 9895292 3577619.5 3197505.75 4685422.5 2080704.5 3470491.75 5530935.5 23465664 12615385 13385690 20157022 2750453.25 22163202 7863858.5 1731207.375 14624976 4189886.75 28415342 2385534.5 14135308 3890904.25 3058326 44390876 18998292 N-acetylglucosaminylasparagine 123833.6484 212284.6094 146911.0938 193707.8906 147967 286747.2813 104709.2969 193533.2813 220198.9844 209901.4531 197012.5 270245.5 177813.5625 143237.5469 117318.6797 315200.1563 150633 228809.3906 81830.2344 243905.2188 108724.6875 152776.7813 297107.9063 170994.6875 326050.375 143074.6094 281406.5 163868.4531 285338.8438 364808.5 292733.1875 119368.3672 393958.1563 303754.0313 180843.25 168151.7656 252319.0156 339536.4063 293794.5938 198202.6719 122059.1328 295387.9063 182003.4375 285188.625 256005.9063 201684.3125 275612.1563 195992.625 185125.3281 296800.8125 773368.1875 913988.125 216870.5938 552779 695950.9375 400812.9688 181201.7969 196751 136741.4375 859067.125 476046.2813 194443.25 1498355.75 139773.8906 826538.125 139066.3906 423198.5 171617.4844 552952.8125 187819.2344 450274.125 226773.8125 265955.4375 202518.2969 886990.4375 365438.5 151200.2969 378594.6875 391454.9688 990526.5 426125.1875 707442.125 640951.25 560918 294485.4063 302402.25 137267.75 975951.25 126456.2031 147929.2813 121767.75 69354.4844 341135.4688 329485.25 394600.5313 275420.875 927854.3125 1153868.875 514137.5938 113931.25 375328.5938 334871.3438 1154978.875 179529.4063 136387.2813 946763.8125 333451.4688 169554.8594 253493.6406 204976.0781 500874 675289.5 310212.5 370414.6875 213835.6875 422676.3125 339156.4688 3118422.5 351302.6563 268391.9063 797085.875 2147494.25 183085.7031 562162.4375 738751.25 487013.5938 442562.2813 360025.375 532604.4375 1018781 440610.3125 880667.25 249936.7031 710906.9375 238986.5469 165481.8438 555706.25 369292.875 186208.6563 1173518.625 507505.375 186273.25 1422852.125 569269.0625 278484.3438 200512.3438 170994.6875 168217.5469 1447759.875 139947.7344 490604.9063 585618.6875 70259.625 1031478.625 2131005 271748.0625 584905.8125 468452.3438 395865.2188 117007.9766 360924.9063 156180.4375 312817.8438 217290.9531 1002821.25 372706.4063 461741.4063 148704.4531 497976.0625 235721.9688 258593.4844 210596.0781 1111876.75 265002 369741.3125 237872.75 504340.7188 441304.8438 218960.4063 338938.0625 288452.3125 1559922.75 292401.75 866129.5625 578783.75 311119.0938 656842.25 310212.5 943268.0625 769733.875 227624.5156 218994.5469 173780.375 1205412.5 122841.3203 861814.5625 194776.5 1293255 211460.0625 88014.3281 1472768.75 257928.1406 726763.0625 330298.3438 161521.4688 148924.125 140411.3906 154124.5156 1059829.25 971305.75 432799.125 214131.1719 187458.7031 357301.2188 478397.0313 271033.9688 254248.0313 1556622.875 671966 1091826.5 486264.3125 175727.6563 1828450.125 394664.9063 242397.3438 161008.4219 220620.375 349539.25 581287.625 254524.125 293425.4063 1327716.375 153207.0938 877489.9375 351658.25 327410.2813 270026.1875 1060705 717856.4375 241301.8281 654663.4375 760058.875 488762.4063 269225.875 352788.1563 153432.5313 370372.5313 786053.8125 385573.6563 661501.1875 153971.2344 588904 1192426.125 784161.8125 389328.75 481101.1563 1906886.375 1699742.625 127311.0625 213493.8594 1634061.625 492269.3125 176849.9688 381140.1875 559062.75 268156.625 220004.6875 526183.75 775578.375 241610.1406 956110.625 230399.2188 1349353.375 120649.5391 179657.1875 334761.5938 339163.3438 230850.4688 157062.7031 195182.7031 211006.5313 81221.9531 185086.0156 735040 423033.7188 730294.125 608399.3125 116639.875 707340.5 276090.6875 167074.1406 795670.875 240990.8281 2565249.5 39852.4141 362074.0313 309305.875 213385.4219 1754698 1136108.25 acetoacetate 677964 1742537 2334346.75 2632754.5 1280560.375 1830706.5 1228142.125 1100402.75 1627409.625 3529961 2225700.25 3271373.5 1864544.125 571054.125 1154782.625 572468.125 792007.625 2226135.75 1122998.5 473796.7188 1071339.875 1487371.625 271652.375 1409028 3195403.75 1392534.125 2579264.5 1677992.125 1244845.625 656997.4375 286207.2188 3262928.25 911622.9375 266614.5625 1493792.125 1503872.5 332272.3438 676395.8125 662253.625 1205352.75 523008.75 854033.9375 800730.9375 806855.625 725993.4375 284736.4375 1284517.5 750720.0625 7018066.5 560326.4375 20526684 6271240.5 1847589.75 913804.875 36768348 1252882 263001.375 3892300.25 5383901 7302791 844569.5625 61428388 696194.875 692567.875 3034265.5 2054577.75 6229761 4394779.5 199739936 7986237 19036582 7369011 23511184 4342304.5 492330.8125 20891174 3280722.75 8732254 8094915.5 47592160 2758018 4152095.5 216344800 26915362 3201707.25 2672852 58150508 3414818.75 3884884 424763.5625 4208392.5 722506 469605.0625 12366101 41016168 1698206.25 708952.6875 25260842 53165752 5693063.5 9309632 25909738 13795140 12057706 27540620 2118358.25 1632148.75 39001932 2604560.5 43407604 11199204 799521.9375 2337669.5 1163068.875 29329856 1255842.5 9955944 5564832 1194502 844513.125 9566625 3148329 54325824 50487644 13238026 17915594 1003335.188 441471.5625 764083.0625 147227936 579066.9375 5973492 513370.1875 36553200 4414719.5 413698.375 987272.1875 3252241.5 3633538.25 51941452 1414336.625 394996.4063 15753994 2362131 814764.8125 10861173 1338863 1886935.5 28023782 333095.5625 65969876 6323570.5 9647988 18887192 629589 1804090.25 32854372 492280.4688 12222672 33111972 355748.2813 3749448.75 4312617 6343899 21050274 665722.25 16878290 2340860 3825406.25 18419440 16012333 683305.4375 29056588 1860624.375 89482744 3699813.25 45062592 794711.25 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452043584 1010760576 692265728 543340096 1296215680 948707840 799875904 752646016 864687680 767329536 688822336 568058688 753322752 642100928 869016320 685923136 966366016 952445760 398303232 505006336 394844896 840857216 906726528 369179104 812477184 810173568 564294272 283832480 381367168 269054144 757375232 399530592 641441088 730844608 613280512 1493936512 1782358400 735669248 331052320 691177600 948707840 515593664 433052064 244867920 921011392 857026560 590161728 577974080 606008576 3068968960 688993664 334653888 1433940992 4721273856 262253216 272731744 1111292288 372733568 265894208 2093237504 2505711616 4964695552 373212128 4918312960 928667776 6165225472 258738592 3977296128 1778237696 6306442240 824506944 273709280 1401191040 1649256704 2438476800 261297872 2797566208 3440742912 177917120 2383173632 5072953856 5632381440 4371758592 1625514624 2465679360 203183056 4595536896 1969337344 510267456 2186156288 637971520 6498859520 4124560640 175320096 2063222528 6241420288 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634929280 180124800 898744320 1214593792 3738131712 182085200 3733304832 1590865536 1330467200 239889712 1058160832 3036604672 3286526976 549328768 1502216320 1762293248 2716540672 443497696 6555442176 3915342336 1232432512 2394508544 2575450880 1333905920 148174144 926041472 4473875456 2925778432 4557149696 196270592 2581132288 3923517440 1592154496 1704714368 437361472 347502304 477851424 188342384 363143392 935748736 2729039872 1362642560 3484748544 862149376 5928152576 693713408 4825260032 1863311744 300097024 406211072 447656288 3809575680 558064192 434242144 547079424 928961536 2373256448 190043584 266115120 395449440 157365568 192743328 289344448 2856149504 5774553600 3341296896 331854688 844618752 426218976 6343609344 219355744 436084800 8638396416 1292482048 2122548224 1776405888 291820544 1957620992 853034432 4462710272 1564353792 7402919424 1945298688 1153048832 832801344 288105728 2896466432 306388800 1024696000 747964544 1356341632 1486382976 144188864 1529515136 970981952 1241433088 478945504 5195949568 368323104 252945872 239836304 1000040320 225417728 1206844544 1709563520 451905248 747150848 639275200 289259488 "cys-gly, oxidized" 3120031 2621876 3661400.25 4183080.25 1600170 4497196 2054158.375 2616544 4517337.5 2013598.375 2887172.25 5803196 1908318 2494545.75 3690739.5 4534607.5 1722742.5 1744838.625 2539655.25 2726481.25 2018530.375 1848713.75 8346532.5 2322470 3056947.5 1242084.125 2789560.75 969396.875 1443449.625 1480736.125 3464157.5 1946452.25 2569623.5 6822593 2771433.25 3078122 1057695.875 7431247 2541991 2210959 1409146.375 1576341.125 2314832.25 2503152.5 1358667.625 2568913 5678057.5 2242666.75 2131178.75 1844519.375 1110963.125 616294.125 1306946.5 1264478.125 16912108 2344518 1684390.125 612294.9375 2510965.25 3359832.75 2907498.75 3275075.75 631890.4375 1979085.625 63670240 1111009.75 55725660 2070792.375 718739.125 36089596 51661556 1340736.375 1144561.375 1395539.25 2598170.75 9653296 3974954 10679774 6727334.5 1740920.625 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331902.25 172906.0313 835872.4375 469718.9688 102163.6094 332872.125 162527.3125 445650.7813 641333.625 422866.1563 167126.1094 8912023 4607937.5 160743.6875 163952.6406 181102.6719 7804508.5 368522.5313 5752169 402613.3125 102826.9375 363652.1875 278111.125 3542391.25 162443.5938 122647.6953 98891.1094 468505.1563 323374.6563 182681.3125 161410.4531 408768.5625 218613.3125 159205.0625 115174.375 625381.5625 163948.5938 232480.2188 98837.6094 1105603.25 888833.9375 712690.625 197956.2813 361084.1563 220181.5 98853.5391 422815.75 493991.2813 258265.5313 193050.8594 132435.5 270041.75 205310.8594 516676.4375 384538.3125 imidazole lactate 2510681.25 2098497 4423768 2526738.5 2573559.5 10660806 2441511.75 3298448 5171372 20405828 4427487 2594652.5 7113041.5 4850913.5 8198813.5 3076250.75 3151760 2349943 4047336 5267363 7459002.5 6534882.5 6633025 4390781 6761960.5 2911353.5 4188641 8903385 5283613 3672761.75 1475074.875 3103317 7451232.5 3382790.25 6994921.5 2318978 3945664 4783552 4425257 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170965344 15691118 27536874 2636022 5977583.5 38919764 20678128 3762366.75 121329776 14868747 5903073 16317253 9247523 25363910 6135424 12207205 7219936 40468716 4744162 12629885 3756636 8166730.5 3928524.25 6587903 14391211 6657460.5 2555176.25 9304668 12310192 24324836 21204732 43035232 8748375 85630648 16779330 6184457 10637824 38097600 14589235 24467422 6058622.5 24774448 7533955.5 17093820 10935488 kynurenine 14748588 12221142 21066540 23183058 14486965 23492886 16497456 20613280 21307326 46750416 19101184 22050262 22709172 11711421 16137690 25463438 19948288 22226342 23877652 29905484 16969078 32946198 29706918 22668110 27662566 17744858 43809264 20728278 22980970 25201348 23167080 14034484 24009294 28126306 24783924 14528389 24187620 29072312 25263762 26854110 22188646 34313632 20252918 29321900 42856136 27888072 26056906 17382278 16274297 24119694 290943392 130008392 61131852 163403968 43118232 162068880 30402444 37675652 20385740 257580032 61488384 45604516 126479440 49053332 229016624 19012898 102246336 18789044 93359008 10432166 249848192 42655796 46945028 32944304 290865696 183576512 19841756 39178492 59905840 125550096 99671584 139191792 141150656 70025352 23195306 95991864 15858883 63046372 50768728 43888352 30781802 45719556 224126432 121506840 86400120 161759856 189020256 187508544 201820976 10922807 160975200 82015480 197989504 35231824 18409574 116716888 106162312 23311158 38102560 31108302 54023280 214181344 72453984 65058284 35310708 53245772 67376352 105640608 115299656 107358408 353125472 84918408 15832485 261785840 472199232 81432448 115649632 72970304 33278944 221867968 109463672 58113340 41653856 171951136 85247104 28032420 67098512 68753304 38566580 221858240 32161100 63100292 276478048 208562720 23149824 26824704 42260512 42659564 198690272 79993704 50157980 102102784 17914150 72040616 543529600 81572960 84295736 65573256 46566996 31784616 26042544 22760468 127152272 96536912 61997296 194180784 99109216 102731976 41642964 102467376 62481096 62822812 270888224 89505512 27569648 16084266 30944768 54464564 17921890 56129680 65872388 294704736 49308904 130725408 160973232 25731832 333550304 45581424 48739024 128192432 100021704 57308444 16839660 103119936 14936237 269707136 29639792 89730128 369815968 10293680 350812032 23068024 162085120 79627320 34119300 99812496 50891408 23955344 130281704 126478600 62769048 105968024 49023964 245246304 56328372 95241800 114997688 97949984 61901300 86665272 141635520 50040940 529293920 101869840 82751272 16507400 19056386 25211266 30262196 49195356 49346020 37533096 39512464 268338928 138275232 32264316 31520604 84253712 49641872 20852808 40636332 67152968 73070480 39412748 31271950 17129516 23681552 98469432 35558340 38425576 16176376 107822848 95802488 46215412 42171836 123262536 34170648 128274632 20228008 26056906 119047128 47768820 19396918 43360940 76992840 41219392 55569696 64672264 12783688 35802396 27472042 43358784 88958256 15579017 27365946 24940086 122497576 60046116 35273212 43402820 26992120 21151728 40838920 53276524 108112416 55779440 49023964 26312994 92433064 50588076 23472254 43369392 85520680 56574248 21653180 16933078 44421592 57414104 135963584 80030920 glycerophosphorylcholine (GPC) 101821928 63839528 127956816 115767680 153791408 107372600 119319808 68699080 186472432 105158920 135557984 91841072 150716832 118637064 150780768 172776784 174730848 77521592 174253840 148330832 139852384 131428512 315436384 182140608 147166960 216517536 229657008 217023712 101199232 151487248 304317120 198660528 141258672 148706288 331359168 95784960 126274952 145897968 281331104 134298480 127111752 102270576 149664160 123300624 100699512 178006112 193839056 227796384 161744416 181697664 15314419 16164351 80602072 30815002 15193992 31969076 95198608 27049120 55107724 7647996 21146212 18992846 36079248 37280192 35469172 45051280 10424143 111309712 27759658 11198671 11374887 68620376 38679048 9865812 35885444 17181874 63703556 12128890 14101955 9830049 17145312 12596857 19579932 10848075 53951184 16895988 79925424 24897408 13911476 94288104 11039466 74725200 143753376 23475692 15218082 10518392 7172680 18974812 12065108 47107308 6839200.5 13676255 17112380 18042774 28381808 31764712 12781696 58102452 61832384 58416316 83748312 27388282 21222716 61340608 25006754 16899250 30637370 36607560 17057328 16239025 13073186 33361638 32008632 9636399 27952624 9513098 35198656 7850083 31380262 12041695 30496452 57210988 30104170 18607452 30166740 27742366 18923098 20467666 42426468 25040258 20907420 20610246 25044272 15583626 38667552 71076808 15892550 92675000 9266744 53118396 56215084 10093277 38290568 14010885 48067836 22775764 67058312 22865434 22896430 56637652 37630212 25466522 17338162 36368404 15445544 21662196 24287924 13469035 21559760 58985000 18163778 19420068 19908676 23477826 113584736 58402596 15526695 22650418 40564704 43896968 17169976 20330070 33310276 15549735 32215406 77926800 16346115 30496452 131814536 8164059 26691726 23151232 23061436 20636246 22012412 35141848 13298753 13461602 29752104 24390092 31840482 50847240 59524340 19333892 85143616 17159028 30442338 20301266 15072792 22850734 47711004 103619448 39746712 7269159.5 25872338 24496970 17471468 40799232 19712624 30619756 59875616 22134528 37917196 73504280 45618268 53610552 50753028 18900238 8519236 30000684 15259798 28549306 7930189.5 41771608 10714537 24883270 13524472 21374854 13621539 55977720 92018152 16914542 11992336 28939672 35404960 19752824 12426481 7212590 16404444 33882856 100590360 9218166 14015210 20244680 29997682 149934448 89482064 38364780 98213936 9979281 101934192 17315400 55349916 30846492 8221093 12836356 43275752 16849182 23044086 30826166 5388873 59729712 12989622 19917196 11920898 39408848 38836348 47945200 86238912 10522099 99885296 59520828 26650972 81867448 26294410 10120332 14799694 51937168 16384898 11622893 30187426 74550920 5043440.5 31642040 34746288 42657068 9748966 35062428 23205278 9657600 N-acetylglutamate 717136.125 321848.375 503471.75 912609.625 473246.7813 1433684.25 935551.0625 488135.75 540152.9375 982724.9375 508451.4375 727191 1003864.313 595657.5 580699.9375 954380 524205.75 825754.1875 558693.4375 668110 565327.75 609339.8125 746172.375 1066018.125 597478 801117.9375 988659.625 418812.9063 644755.5625 440021.5625 841590.5625 551041.5 632136.875 976895.5625 960221.875 663597.5 776044.375 1722764.5 525610.875 497349 512511.125 732778.6875 449425.125 493832.875 746426.8125 740380.3125 2383580.75 595312.9375 553771.75 630961.9375 1770332.5 5222047.5 824266.5 797782.0625 4558702 3500567.75 543276.75 945169.125 435431.2813 1856448.875 687988 579012.8125 1005697 483548.4063 2816766.5 442791.7813 927459.625 512310.7188 934598.5625 425260.4375 1357700.625 528075.1875 566907.25 654321.125 4229305 1197974.375 527149.5625 829936.1875 850919.75 1282318.25 782344.0625 1793435.375 2081084.375 1078229.25 618200.0625 1499559.875 332196.3438 561124.375 819668 487246.2813 872928 632158.8125 1696983 1113370.875 674549.625 971229.625 3448986.5 3365291 1865840.5 555928.625 480946.7813 1190837.375 928487.375 654160.6875 446259.6875 604219.1875 1002944.125 450232.125 391402.5 312593.875 586305.6875 3663020 842721.5625 928702.5 466038.3438 759005.6875 782177.125 723251.0625 750688 938858.5 1133834.875 3872980.75 294762.0313 2674580 2362757.75 755798.4375 766505.3125 1022715.375 1062071.5 1202951.25 1620839.125 1327884.75 752783.0625 1676843.5 979902.75 295884.0938 880562.8125 842013.75 384628.6563 2269094.5 372088.6875 1342352.625 2389445.75 967231.5625 441491.5313 601193.875 560135.375 596599.1875 1262430 506834 741799.1875 1056477.875 431371.7813 3148123.5 5821163 609687.1875 838218.0625 1507414.125 546736.5625 525777.8125 450851.0625 682060.4375 629822.6875 784378.0625 1483762.125 890875.4375 819668 1165564.875 1083502.375 542696.1875 1168420.875 775801.8125 2561898 771512.625 606544.625 706173.25 942665.0625 1224273.625 747754.6875 755616.9375 621826.0625 2061480.5 721030.5 2548403.75 862025.375 888312.75 587913.6875 1042651.438 3337739 1197158.875 1212472.875 1544584.5 532667.8125 2474655 843015.4375 3012498.25 408721.5625 1925422.75 3818992.25 467876.5 2108282.5 756514.6875 3340226.25 1092471.375 425299.7188 930759.0625 976181.0625 680007.0625 1083529.375 3017744.75 1201446 703514.6875 611569.375 1286356.5 1002814.188 517721.2813 501540.0313 10771898 690974.75 1308212.5 639242.125 764527.0625 3000619.75 616183.4375 863000.75 435570.375 837476.6875 712586.8125 954602.5625 668338.25 924219 1619768.5 585732.875 2041876.75 1692478.875 781334.1875 1222324.875 1405262.375 1426223.125 662421.5 513531.875 927400 1944567.125 532494.625 798845.25 743639.75 1576695 982201.8125 685796.3125 1394206.625 280699.4688 1034442 2772225.5 1884081.75 1146852.125 4613492 1900381.75 2068594.125 393097.8125 1191934.125 1744700.125 790131.375 322405.625 1467972.375 653191.375 840938.0625 560054.0625 969689.125 3678698.5 417912.0625 328027.2188 901470.0625 6582043.5 587132.375 860854.8125 382350.625 1043503.438 785260.4375 560752.4375 569451.375 763259.125 277776 579476.5625 2828058.75 1135996 1563588.125 1496287.75 470927.125 2190038.25 612081.4375 564387.3125 1350962.5 958358 1173083.75 653379.0625 373757.125 769796.9375 782990 4328395.5 1875355.375 N-alpha-acetylornithine 107172.8281 39288.1211 34655.2344 40949.5547 83485.8984 60381.0078 75967.1016 41198.6406 39318.3125 94975.0156 52317.9063 48982.4609 36448.3359 80579.2734 115766.5547 94571.7266 79661.4141 55529.8945 55418.1875 77094.3984 72927.7578 82143.2031 112158.4609 72965.7031 109899.1953 33858.7148 46726.9766 110778.7891 86005.3828 103922.9297 314424.0625 69771.7422 133195.5 120766.2031 265621.0625 122535.8281 214493.2656 46083.1367 109576.5 204532.2188 170096.7188 162232.3906 126850.0156 140690.8125 114055.8984 106961.4766 183045.1563 140291.5938 25889.3164 59740.25 26156.8555 284481.375 187711.5781 125851.1406 171001.6719 566863.5625 189919 236500.3281 20339.748 80543.7969 125840.2344 89075.7188 213941.4063 85506.2813 150807 146231.9844 50580.1523 82835.9141 23118.3066 93642.3438 224958.3594 94785.4766 61871.3477 144396.1094 194551.8906 223352.2813 243442.0781 222303.9219 113509.0781 105703.4531 285124.6563 58405.0664 883238.375 136569.8281 130663.0547 142383.3125 116406.8672 51973.625 184546.0938 182068.9063 115302.4453 96407.4453 76028.4297 60331.7969 71132.3438 63789.4766 368352.8438 52677.2813 271232.5313 344944.5625 111409.8984 71893.5859 163035.5313 135445.8125 82845.7031 41516.7109 92938.6953 222133.4063 79769.6641 189859.7813 168545.1875 127690.6641 318658.3125 115534.5 67779.0234 205149 226688.5156 163438.625 159879.0625 72803.375 315307.0625 112551.1719 127322.1328 157649.4844 36715.8789 62471.0078 73984.4531 29298.5645 227595.6406 387482.2188 354589.0625 46776.2617 224490.8125 52681.8867 131149.4375 151958.0781 133197.0625 89589.0547 258712 203802.5625 264142.4688 187554.1875 452054.2188 70972.2734 305156.4375 66699.6797 231870.5469 402327.1563 598261.3125 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1512852.25 5329844.5 3683501 1386182.125 1954439.375 1399718.375 3548193.5 2758194 1387722.125 1139530.75 1562306 1950656.125 6338752.5 3832816.25 1889499.375 619023.25 4198054 22110846 1692182 4191565.25 28690718 1517407.375 4956687 1161494.25 1609519.375 1963463.5 6972702.5 2245372.5 9303339 1505363.875 2204561 2313972.75 2050931.25 8783370 1051012.75 1547093.625 1861312.625 9682913 1626150.875 1386154.625 577853.8125 3857430.75 1117062.375 1608598.875 2118639.25 1339890.75 1222414.25 1873507 2769821.75 6339751.5 2941642.25 4561503 2311116 8269306.5 3118905.75 1161178.75 1894130.875 7843839 4095246 3138006 837409.75 2731499.5 1462801 6865713 1181720.125 1-methylguanidine 480993.1875 258733.0938 303580.8438 2039070.875 257541.9375 124275.3047 485079.75 1761211.5 4546212.5 377386.1563 1532234.25 8845130 1511129.875 177275.0156 717631.4375 33618728 348344.125 214540.5625 629442.4375 2943396.5 629065.8125 781550.3125 1064953.875 925957.8125 848712.75 1353220.125 482922.875 90699.5703 3402374.5 2062408.125 1696770.375 359523.5313 138430.7344 413083.0938 869205.125 77745.3672 118076.7422 2235038.75 364741.6875 13541686 939421.5 624305.8125 1311892.75 3310070.5 11943354 116338.8906 4099092.5 87230.5313 194316.9688 237872 1286770.375 287254.6563 680260.3125 295496.75 2100049.5 204310.3438 140562.6094 129194.9141 10976293 204871.5625 17114234 432624.2188 99115.0625 5493518 7973708 500449.5625 462583.5625 547052.5 923796.6875 144311.2656 1363683.75 20731596 1397191 4785411 47426744 400996.4375 938932.5 772248.75 9564894 340286.2188 514541.3125 16636175 541973.5625 1338793.5 371549.5313 433298.6875 309289.125 1071400.125 889001 147432.9688 7451056 13765831 729908.5 251085.75 233646.6719 488836.75 371904.9375 729908.5 1120313 10241900 415871.8438 43330000 11771280 1386266.25 1252211.375 17085574 106003.0078 2669981 661792.1875 697984.8125 202177.3594 2144690 2085790.875 687568.3125 305386.7188 25736060 406813.0625 419069.0625 1497997 1923617.375 495803.7813 1708583.75 11810652 355099.4688 18503588 2473766.5 levulinate (4-oxovalerate) 12598437 414831.75 181034.2969 569421.125 706473.125 443212.9063 442245.7813 314164.8438 496074.4688 528939.3125 422931.3438 357571.6875 472182.6563 231724.0625 844565.3125 369301.3438 496636.5625 196589 502536.9063 465270.75 386769.5313 286618.3438 355341.6875 371175.1875 429116.9375 536082.3125 371262.75 779788.3125 483383.0938 345197.6875 2605584.25 369360.7813 594589.125 705795.1875 322187.1563 320489.9063 387990.1563 837744.25 417532.25 511858.5625 1209545 586735 1087196.75 460188.75 332328.4375 469444.6875 222019.0781 338027.7813 453497.4688 966480.125 716459.6875 1318124.75 400024.6563 357407.0313 582706.5 586735 176081.25 648828.875 390155.4688 459942 264324.8438 611011.9375 528993.25 693207.625 205735.2031 352317.7188 567968.4375 636101.8125 470158.5 316330.0313 572728.5 684540.25 316447.3438 655551.5625 879255.5625 224047.4844 568951.6875 515863.9688 1825326.125 283902.375 533705.9375 1602885.5 817681.1875 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999645.75 299051.4063 323846.7813 377393.125 1147559.75 986481.9375 543052.6875 603481.75 972928.125 247745.0469 2229260.5 227965.1563 669019.0625 999433 1323227.75 622130.5 560013.25 1052582.25 531285.6875 374497.4688 685310.6875 579586.4375 420754.7188 752166.5 856643.5 485682.125 439646.8125 531845.125 420033.375 574071.4375 426287.0313 801206.0625 767070.375 356535.9688 827969.1875 616837.8125 413123.2188 527183.5625 765561.5 713958.8125 775318.5 985602.4375 525978 346844.0938 355568.7188 559662 623660.8125 701919.5 556929.625 496867.5 488968.5625 922947.25 445519.0938 1068581.625 580001.875 3020131.75 641589.25 490396.2188 452628.375 927237.9375 1027173.938 274310 223361 691948.1875 801513.875 419223.8125 319629.3125 453211.7813 794973.1875 551846.9375 641067.125 562555.5 441353.4063 504087.4688 766817.875 528498 1337441.5 531721.5 750025.25 1466997.75 616267.5 417028.9063 414123.4063 1475080 470693.1563 813638.5 442827.75 636845.5625 764083.375 2786366 593468.125 726843.6875 896214.625 398011.4688 1286866.375 535640.875 823377.8125 620106.375 192817.9219 733382.8125 481388.5313 987740.0625 603490.5625 627989.9375 212827.9063 481337.375 787737.6875 921337.5625 792873.3125 401362.7813 623273.4375 905280.3125 680980.4375 624646.375 230034.0469 560434.75 360935.4688 645195 996961.875 hexanoylcarnitine (C6) 2244197.75 2576858.25 1985333 1261083.875 779614 1119770.25 1289110 2235063.25 1990104.875 3593934 1789183.375 5333911.5 1411986.625 1097640.125 1622113.625 1797589.375 1746414.75 2739539.25 2625372.25 1183488.375 3341071.75 4070346.5 2174110.75 3754310.75 1392861.125 11081502 5576913.5 3494326.5 3532223.5 2453239.75 1351553.625 869541.4375 7731865.5 1815684.375 1512511.625 1794569.75 2338763 5123846 1339011.375 2558579 1183382.125 5238251.5 1485200.5 1637069.75 3660991.5 1548306.125 1998720.75 936499.125 3282084.75 1046789.313 23489204 14314657 2197941.5 9277978 55759528 5191800.5 864347.3125 6521534 1437114.25 5179768 19849698 10170804 40457424 3832913.5 20134860 3700987.25 9809545 2248623.75 22182552 10424712 25255094 4810260.5 7121963 2982262.25 26472112 22023268 4477211 10977866 11200328 18296984 20373618 55991440 38341076 33424238 4046178 11751582 3194066.25 42413692 5697931 3086758.5 9379939 4009273 54509508 15564223 5662887 20930046 22168856 14076560 13936754 2627701.25 3771557.5 15957251 22620830 6589682.5 4705947.5 4545533 8012565 4266384 3462092.25 8764468 11868566 12108366 7695186 8131760.5 5124101.5 9175841 8543296 105322672 30001126 11481499 18823840 62465000 2159933.5 18774802 15107950 15894367 8841847 14124756 4690392 45791816 8180571.5 6876744 4591424.5 30155520 6301615 2242007.25 12199396 5556473.5 4052129.5 122642344 7293539 6815194.5 52405064 26415204 5343825 862543.25 3716058 7561687 21456810 12758741 4832635 13274211 4580877.5 23052142 28691252 9493005 10201159 7493087.5 18235762 4886679 3055836.5 5902241 6050053.5 6038723 25010032 8919637 22229150 16849560 24257496 12333527 3806475.5 5372098 6136648.5 9332238 1182960.5 3200911.75 21098320 25067690 4789700 5531836 34334040 7206161 41512060 31810674 35495028 16372207 9604451 5794772 28281462 23286144 16502540 13680791 4411510.5 12866326 13100494 9143884 4742896.5 38119944 15422543 5996187.5 69515584 3486277.5 26923346 13393642 2013908.625 8920418 8057652.5 25069498 31681218 28483544 20076264 3858900.25 2166085.75 33558288 15194162 6769522 5835472 25805232 16947298 16671077 1355750.625 14501183 48909900 31590302 5708612 3241057.25 4972531 13977110 3728608.5 4476560 7548113.5 19810896 7534540.5 28260242 49611404 13822635 11251548 35473144 8635740 4369487 9506856 22725682 18029344 6985549 4725934.5 15121722 23051950 22390726 4631488 4226440.5 1689630.5 21786552 10528205 5387402 10917927 312426400 6907086 1828709 2890390.75 6595471 56445356 5442581.5 2846293.75 59600432 9062290 5876196 15545323 11373545 20552950 6520558 8429394 6378113.5 56985824 6941947.5 8051096.5 4171350 7548113.5 4733117.5 4851811 9203340 4359315.5 6309842 7426152.5 2600078.25 14549090 18606608 7716123.5 13543759 34719000 24126488 3428398.25 1189669.125 24052022 4879199.5 9055321 9867155 12013376 4723157.5 8921367 28408968 N-acetylaspartate (NAA) 1274151.125 772939.0625 1371847.125 585471.375 800223.4375 446872.5 505052 1349184.75 1420163 889129.75 1622427.5 972486.125 1171638.75 796359.375 851320.5 1319395.625 764052.75 881443.25 1143529.875 1149797.25 1137978.875 833007.5 1029866.625 946301.5 726553.125 1725627 775758.625 967971.75 618560.9375 1010332.5 868938.75 1204956 1015451.438 1265246.25 609213.25 1017603.875 1574861.875 1296477 383707.9375 882439 1205057.625 849806.3125 638269.5625 816353.25 789862.1875 1655479.125 340629.375 460071.25 3643169.25 2863975.5 693515.375 1067647.375 1406984.375 2296617 696507.5 591341.4375 271583.875 1598765.625 1734912.875 576666.3125 863442.5 630902.5 5607176.5 809800.9375 624139.125 747516.625 357960.3125 821930.625 764749.8125 648058.25 512543.3125 2801484.25 1346456.625 468175.6563 659310.125 844668.375 1107804.875 596995.9375 1705346 1379883.625 1003801.875 802790.125 990263.5 440742.4063 1158787 1157237.25 787780.5 1944223 605556.4375 739721.8125 1179136.875 2400602.5 2886668.75 1203599.25 1209559.25 1000163.938 769094.3125 733409.9375 775321.125 570835.875 459431.4688 710228.4375 445371.1875 2731499 695143.4375 1012726.813 758350.9375 1169150.375 751263.6875 1152506 770967.875 812627.6875 1240056.125 4281867.5 601199.3125 1327249.375 720090.1875 849396.75 582647.5 1066457.375 1500426.75 1532063.375 765874.0625 1576334.375 557622 1818199.625 501641.5625 1035973.438 638082.8125 485767.7188 2883789.75 390292.3438 533703.75 1058881.125 713077.3125 298455.6875 613912.8125 678417.625 443053.3438 1587392 580723 815454.0625 1537778.375 650140.125 3107114.5 2296188.25 853341.375 961825.9375 894195.25 576467.5 627901.5 334733.3125 825521.3125 992367.8125 900539.4375 993636.25 658005.4375 1580809.125 403222.2813 1230795.25 775478 510112.5 889975.75 919718 853454.5 845747.3125 605144.8125 822068.5625 795444.9375 522878.9688 1040666.813 1019128.188 1146345.125 796077.125 1024204 1250563.75 627131.625 1623393.125 527256.6875 3357482.75 1173772.5 948398.4375 1705872.875 583258.8125 1116184.5 1316194.125 413699.625 2739221 1577789.375 622841.1875 1392988.5 661787.25 2184938.75 1088347.875 747040.1875 1034343.625 956997 1013184.938 1943987.875 1023964.438 912408.5625 934713 339483.7813 1112684.625 692571.125 744315.25 596079.8125 5284285 1236735.5 602215 1196988.75 567661.5 1812454.625 706883.25 1011103.375 712091.375 873637.75 1582759.375 2058595.5 1552363 740357.9375 2524044.75 958317.6875 2334733.25 1766286.875 883111.4375 917960.25 1429803.75 1481620.125 825474 1119890.125 1393541.875 2918593.5 972966.4375 1365667.125 652479.625 1930214 1264098.875 1311978.75 1555860.75 541972.875 1487486.375 6530836 2638900 700333.4375 3485213.75 1755673.5 363483.6563 1150213.125 1874460.875 412494.2188 408413.1563 1561181.625 846825.1875 861749.75 725628.625 950306.1875 2707055.75 1285660.375 578063.8125 809671.125 3036684.25 775382.4375 1107520.75 291797.75 496090.4375 375624 865262.875 710325.125 628245.875 632946.125 1450940.25 4027559.25 2139893.5 1320348.875 2525921.25 550475.375 1196483.125 741817.6875 1121730.75 2331068.5 1101708.5 1311099.875 489739.5 614351.75 896903.8125 690619.8125 1590560 1931450.5 acetylcarnitine (C2) 329441376 294384736 234383488 219880800 254514528 645813056 275607968 277858464 186920304 379151776 284913792 452175648 323261312 154614992 289413760 387412864 321955840 388930400 277139136 426661472 659564096 466808576 238999952 477165888 262621776 544317568 474153760 342764384 394077248 243543344 324199360 262243152 565168256 308773024 305467104 278846656 379605472 482697920 232266832 347130656 197959424 436394400 196995488 266796192 437327520 250510528 540540928 212574160 324243520 280078592 1647728896 1187047296 288018624 826532160 1652874496 638837312 157565888 825481472 139480448 365857088 1149227648 572740480 2439040000 525339072 1492611584 437196000 614243456 182143040 1763814400 622133632 1406144896 321769024 765798400 636651712 1774111232 1674760832 453950432 504751328 845090240 1025493632 1492183040 2606689024 1542503040 1946812416 336828864 1264379904 194265808 1289022464 480399008 404752032 732700096 268371696 3105791744 1479000448 855608640 1205454464 1437585536 1689930624 730363200 227985664 307801664 727080960 1879510528 563675072 381220928 900593344 535062176 381188032 212730144 589184576 716085824 1816523264 517357856 862470016 471291040 895400640 1251874944 3763970048 1749397504 684817600 1295749248 3149475072 238820912 1678336640 558657536 1494935424 960133120 503515072 442029600 2032814464 529107680 288221952 442674304 1720436992 613564416 470059200 1154659840 530442112 173282912 6296963072 359716800 808101184 3340738048 694404928 406302912 139267040 466511296 582980864 1387242112 400701632 401620768 758071232 802697728 1994534784 2708577792 601098496 829835200 650065216 806137408 223802624 454267264 678240640 297295584 672824064 1352112128 594322304 1933124608 1535304192 1179050624 459845504 530875488 470822464 802704896 1452832384 145660288 280853280 1197504640 733785216 395926528 414571872 883337280 491646304 363823232 4745167360 2510035968 419234400 479348480 621697216 1856534016 932214784 1876660224 676357248 595317056 1004408960 500146496 1406753920 348181056 1352235520 389740224 425422592 2411787520 302785984 1264586112 690196672 136649840 262876208 497792928 575139264 1267430016 1795487232 1180068864 215898000 665473792 3091540224 884885632 545310912 433208704 1498971392 1308031232 1133352704 233069328 646745792 3278390272 1857805184 1150190464 611619648 750997824 1664939136 377546592 628087744 496240160 2236643072 568816640 1275971584 1305587840 545792128 1006395520 2750331136 882567424 391013376 528789408 1264381952 1329277056 315582784 295746080 899751040 1645218304 997253632 328941024 430094240 115548912 952121984 884490688 498508288 733547584 4564822528 893935168 238587248 186260976 380151168 5570216960 528936352 291847744 4102067200 457204512 871416896 711179456 1165357952 1054562240 555699136 1601707008 640531200 2396715264 762158976 292965792 572740480 550627520 509540128 261875136 454276512 477971616 440603936 508816064 323981952 981680000 803485760 415576704 333535872 871339264 472481920 491700192 350137760 773491840 488652736 529143008 576664320 1018251776 645100160 1192403072 1405105664 trizma acetate 10850524 482590.6875 21218458 10850524 "2,3-dihydroxypyridine" 1098387.75 980234.1875 692674 99377.5313 825306.375 726625.875 185064.9063 1067975.75 376308.8438 189143.5313 87841.4688 475850.2188 301018 811894.8125 480219.5 588922.625 718956.0625 513166.4375 269476.8438 135175.0469 417034.625 246404.7031 2816096.25 227676.5156 513146.8438 881745.1875 258128.5 1085299.125 194218.6406 82383.6484 168117.0469 261209.2344 77585.6406 94051.9844 167306.2813 350620.6875 87528.5859 107947.6563 176749.3438 314578.5625 268084.4063 191938.2188 149058.8906 59172.5586 159787.75 85269.875 131412.2813 97138.2656 277319.1875 508878.25 383949.5625 383459.875 275486.2813 402618.125 262819.0313 88968.9688 83908.1719 204006.5625 75093.6641 537734.125 392316.9688 231927.5156 28179.2148 116820.4922 58702.3047 159255.4844 171528.4063 486619.8125 155237.9375 1810340.375 3492367.5 2264418 111436.9922 160311.2813 154450.5469 232352.0313 228242.5 171401.3594 520118.0625 413669.4688 113837.3281 897959.125 288296.5313 126412.4453 112719.3516 252359.7656 337470.6563 466218.9688 198115.0938 50335.0313 1272923.5 434415.0625 174516.1875 129991.4688 95153.0391 234678.5781 159531.4063 345307.6563 515507.9375 263897.2188 302010.1875 360905.1563 250270.7344 293834.125 198943.5313 103182.4766 404058.8125 71745.6094 203450.9219 298399.1563 588870 199521.4688 395506.1563 324907.6563 363677.2188 395632.4375 248918.0469 386471.9688 363789.2813 273084.8125 127657.6484 1209046.75 244698.4531 152703.0625 31728.2637 383693.3438 186133.9844 235392.7344 100873.6719 375522 517615 258128.5 315787.3438 1065115.625 413582.5938 52770.8555 427481.1563 107152.8281 144430.7969 228965.3594 86884.2891 292150.75 31859.7969 71061 357746.5 395923.3438 62069.9961 2219993.75 138279.125 517571.5 367677.625 226285.375 612623.3125 47603.1367 179668.9688 301337.75 563473.5 149027.8594 iminodiacetate (IDA) 136942528 182652352 135830112 137207344 128933624 134218880 124502384 120871432 167577440 121946016 111550256 191767056 150702432 115185960 133306048 139947040 146464272 148197168 139864352 127846592 120271560 124094632 188394224 193328128 180791424 185204064 230166768 155882528 163773168 125077344 187553616 178000592 179181952 226425520 174271328 358148320 213453920 190652096 187557504 233078640 273643456 197206224 245161184 305292384 295905312 346289088 131794984 168288240 230887904 143690880 260086848 267241440 281928352 342106048 329766240 273288736 346205248 358669952 254163376 220103200 286072736 373964128 292281600 303926816 211731040 327341120 346933376 267163088 248497424 278947840 295042848 311964224 309286176 239839888 182731280 327895520 342128576 303611424 274072800 241762912 256951072 229681216 351910656 340993088 269565760 247560384 254098176 247512064 347413632 322972384 234517440 284690080 320722944 276171264 263053088 295223200 300757760 245594304 203973744 243008736 268579040 247030032 244997568 324404832 249565744 209281680 258867856 323155328 313684256 303870912 288218176 273664576 339332864 266254880 268614272 285357888 292400512 330601280 400593376 293236768 387884832 208050752 273643456 278459648 365647200 320674912 320726656 299894336 294213824 307446144 283770784 277136160 396015520 292215648 424784544 398736256 353586368 421787744 397961280 421305344 335736032 385386464 419216672 380946560 501689088 455260928 354404928 358412544 244486944 306257344 295540800 278633568 274310944 210677488 150830080 220987648 242871104 253844688 233310880 279347584 306257088 354810400 272667424 352729632 354301376 457535712 445388576 356413120 366711072 265557968 117287880 262974336 330494848 399593472 374251872 430480672 393797696 333563872 345151200 355357216 353633792 294382848 314334656 288769888 279298144 152399040 141142352 278910528 147177840 122528568 139118736 123896072 122050328 133887088 154529904 117374352 148566272 138892656 268831520 144391312 101570848 144372272 378124160 189431200 136546288 208275392 179247616 190003168 215876320 264657792 385535136 434909056 291021792 351315712 212159376 261158224 281975136 91332024 230700592 445329120 108357560 404530368 290844416 158643648 284108064 300412832 314468448 237064944 280034208 270294368 321744704 500210304 275669536 431099488 443166112 344516864 345253664 346044416 251534048 367580480 107678952 250802256 135187024 373251328 303855392 172523392 125258824 258538096 231938336 257906448 232774080 428680032 200058176 299124736 336280128 299748448 236047696 119295384 318384064 418722208 642217728 229871632 327528384 316523136 259548208 256069936 391860672 269289376 333165824 239497088 241084448 185464464 186829104 248593184 260483840 253344416 492726016 421263744 375859008 278369088 429316576 258455840 235440848 276385888 348738560 439883872 287544704 361132256 255089472 333186592 359404000 245995680 233787280 295459168 413264736 286676512 392125568 332329792 272975968 268132720 homoarginine 46336464 21944526 76136976 20745044 22251206 31170206 54718520 40163940 67670384 16619249 54721768 29369054 83480200 11676935 43373732 36715772 33226378 33721812 34709688 36934904 25240508 30187826 20277482 38750732 16861374 55432252 31876862 48283888 26698612 21289284 50308568 28925444 19959792 35642660 31967480 33317680 54498444 36666064 32965160 9610214 17373018 12546176 13744496 16902062 21518306 38541508 29843230 26309912 8735797 37987412 23911288 22098402 23356940 7091910.5 14140649 5690689 20843570 9195197 17305562 28385184 9216618 6529035.5 10027334 4479478.5 8490528 11732725 8466676 8302722 17430624 24219080 3446775.25 16398255 10305737 3980254 4796675.5 6590246 8422961 4958850.5 6683885.5 12155675 4680797.5 5626433.5 9462041 11640674 16172143 6415589 8588629 5204596.5 6595087.5 11958489 10858882 15883372 6679042 5455875.5 24256368 44808436 19850358 7793878 9643845 4009288.25 14722504 4037670 8052749 9401441 9024887 9675039 7974973.5 9020339 11367485 7083126 3089892.75 11262303 8304701 4342350 5789631.5 7709726.5 3280772.25 11672807 7693859.5 128545016 2012975.875 6106592 19797302 16469634 28517680 2419293.25 12418301 7615690 15800079 14416144 7021291.5 8636269 14781646 14275699 5872274 6683640.5 12733010 6380018.5 7972534 7960671.5 14060286 103195728 12506434 9077560 16413661 8638968 11773419 7015466 7855036.5 5936563 10471925 3008677.75 597695.5 9701354 4600847.5 8624883 8546941 6617938 7981637 4195657 3893344.5 8091613.5 14936820 11710153 54502536 16448173 20917818 33537006 18140616 33698124 63988164 10506974 19350658 20553770 13243352 19795736 10683144 11010584 11741194 8610752 15676127 7492410.5 4710832.5 18673552 9692100 9260223 6118166.5 18820536 19083836 6605423.5 20872384 4733499 32853738 97867632 2471003 3219714.25 20139404 14023900 6777503.5 7276156 13219720 6818606.5 13305213 9058954 9788265 9766823 13540798 3728561 12574006 11380552 5947157.5 6393095 12815974 4792389 11105725 8338046 8224106.5 8511899 3143601.5 8477554 11233891 9772135 16774654 10069716 24950226 13692774 8527619 9766985 29033562 20495514 71428992 25007328 46382280 21695830 11699508 24508860 20092518 4506197 38695296 8949574 8329123 19621256 7309030.5 20573674 11396283 88249928 14186209 21118954 9014297 21360568 5574275 6761947 15821686 14432734 606875.875 9815750 11374441 5099031 20301196 17542016 38721764 12870241 14145575 8681525 29446562 7310719 26682496 4890514 25452706 5452139.5 6898568.5 7486456 2454108.75 9890171 11704830 19248936 35986020 42592788 10064544 12295655 7709204 6428040 10042865 11736490 18530888 3692108.75 12465717 48846720 9598927 69819072 6229136 35903124 1304780.375 50091444 9547827 5846283 2818187.5 3-hydroxykynurenine 456925.1875 71245.5859 220175.3438 2271983.75 88186.3047 2772476 313619.8438 2517750 3914796.25 1474614.25 129424.8594 1566479 617519.5 817933.25 770358.1875 2531244 251834.7969 3946834.5 7269839.5 696065.9375 1300517.625 3533571 1013198.5 2886356.75 412833.5938 775054.3125 3812147 3762801 8894547 2282089 1979446.25 431119.0313 1714919.5 728085.5625 288403.5 1626653.75 566720.5625 1074083.75 2799212.75 1434275.375 3829483.5 2413765.75 6598001.5 5430020 7596012 14206625 9809119 572391.5 132618.6563 2922019.75 697075.9375 119961.3203 2104369.25 654811.5625 5779771.5 6028255.5 1170739.25 1296027.875 2438472.5 413469.9063 777293.5625 3947319.5 1596895 2004729.25 756248.75 11077705 7688717.5 1315338.375 2343983.5 1593254.75 402201.625 8570420 2515081.5 984547.4375 696309.75 4656260.5 2676259.25 3128525.75 1059759.125 2114344 261439.9219 2928940.25 710622.875 1228229.625 5529850.5 235183.2969 171040.1406 724689.8125 619157.5 7389486.5 10301410 1356932.875 10971851 1180917.625 13751479 4897715 1182199 402468.9375 989460.5 679332.5625 1187244 1357664.75 2936077 1616819.375 4785473 3802840 1610178.25 2093675.375 2035279.75 725693.6875 1967784.625 2185854.5 454569.6875 156211.0781 2305121.25 2032938.125 445531.9375 480755.4688 693723.25 4109723 432224.875 5021953.5 5527494.5 762226.8125 6113871 1156938.25 8565165 2245417 1916271.75 812371.5625 8597494 2736755.75 499533.5 448179.1875 7270998 1567525.625 1140650.25 1542883.125 249361.5 724723.75 1809118.25 2094797.375 609551 1470236.25 4618993 21254318 6813600 3146004.25 597660.3125 1641524.75 1397413.5 2679568.75 2576077.75 3243681.5 760971.1875 583971.0625 167891.375 443162.5 483188.4063 842001.5 2678952 147241.9219 1473773.625 148919.8125 412965.75 863027.8125 1453563.5 868972.3125 450393.625 176208.7344 1012476.563 862502.1875 1417610.875 150805.0625 1484418.875 1321124.875 1134339.5 1231781.75 28170290 1294731.125 159871.125 431747.1563 498759.5938 377128.0313 165282.9219 1129446.75 2168858.75 2381299 492297.6875 1182976.875 927365.4375 1307928 843684.6875 458159.4688 1416984.25 591283.375 524304.625 415553.8125 1950994 947590.8125 531536.4375 163309.3125 1256429.75 1224175 561163.125 1191325.625 1745555.375 1702581.125 1994400.875 guanidine 2204945.25 63485112 1043515.75 396027.5 1137231 565478.6875 1137231 116347.6328 2158114.5 25811272 68419160 321282.4688 N-acetylglycine 2583448.75 2191278.5 2387515.75 5335138 2319865.75 20091550 2739458 2348334 4929633.5 5362530.5 3064747 5688778 2876343.5 12317444 5844690.5 8257742.5 3854502.75 2666990.75 2803413 5544166 8228125 4575648.5 12897406 8078307 7603572 9825209 5886206.5 3775693.5 4217091 4050252.25 3581759.75 3313364.75 6817212.5 3252481.75 4331315 2980708.25 6287324.5 7046828.5 5638438 2847729 5496460.5 8457983 5333936 3996103 6184752.5 3788169 17330568 4734741.5 4288173.5 3853004.25 6912243 6434767 3751042.75 13254153 9891314 27914842 3646397 5067301 4159094 5496460.5 5919924 3553671.25 6673227 2759774 4951818.5 5340769 6020791 2459166 6957149 2413786 8739095 4043216.25 4225939 5233497.5 15303913 8696594 7283748 2757076.75 7898330.5 4450279 7110805.5 7668553.5 7194828 4338998 2175158.25 6227529 4640808.5 4086961.75 5511585 6167465 3674400 2387645 5280198 8827496 5134522.5 4776318 6244629.5 6609623 6044474.5 3998851.5 4585617.5 4815168.5 9363495 5272875.5 2927521.5 3680136.5 4561650.5 5186070.5 4955761.5 2604355.25 11430368 6998877.5 7327928 9191313 2783901 3853403.25 9528749 5291836.5 6086885.5 5178023 9059401 6784708 2914530.75 10751878 8092472 6403571.5 9117859 4794558.5 13681122 9729380 7543093 5580094 7811531 8768101 7813400 4398617 6032702.5 5632125.5 2567114.5 4498380 3357056.75 5303409.5 10356687 4925784.5 3361005.25 4448943 6606447.5 8183407 5568071 3478018 6910317 6267573 9756673 8845890 8236732.5 7796968.5 4030929.5 5566979.5 4522098 4770253 18887192 14841474 3371165.75 7489507.5 5124603 6344217.5 5886588 3901037.75 4741127 3202247 9526636 2674426.5 8962536 6651755.5 3682611.25 5143187 4895592 4783069.5 6799091.5 4245980.5 6037175.5 8048533.5 29245108 12994520 9956109 22047084 5097910 22068086 4184877.75 5119086 17328856 10197021 4302650.5 7321059.5 3508329.75 13521470 3258333.75 5715442.5 10436400 8037913 8146706.5 2827012.5 6158112 9070901 2586426.75 3525007.75 5064593 3440093.5 4148140.75 15885166 5014610 3752800.75 17104802 4653500 18260836 3354894.25 4045438.25 9385399 8033333.5 4062800.75 3937177.25 4282257.5 10414507 3242301.25 8108066.5 11405936 8835907 6651577 4996232.5 4363753.5 7603132.5 3825102 3959720 8480014 6397709 5067280 5335372.5 10063774 7988795 3679500 3936729 8723227 4783613 6138759.5 9310328 3381985 4656036.5 6377405.5 3668879 6293056.5 3774822.25 3685605.25 11710466 5782370.5 7606651.5 17916922 3861001.75 7335424 3576952.25 2846969 4530017.5 3418486.5 5425942 16427614 6934565.5 3786985.75 4381746 12703570 9880590 9530577 6786756.5 5211016.5 7763678.5 5362571 2875985.5 10733072 10786402 5484188 4442424 2712070.5 4024799.5 9728393 9365845 18719878 11388572 8263439.5 7099154.5 3565041.75 5847208.5 3641850.75 8818651 10641936 4639253 16372536 4014527 9536110 4008230.25 8520219 12797375 4286568.5 1-methylhistidine 23420444 16863794 41158300 19063844 15679234 58761444 16264987 33382670 39425772 98012336 28593716 19979904 41126296 20621248 23332852 29203906 28539214 18731882 24316428 41451092 23997296 37054416 51872592 42009992 52250024 29296416 35205776 26973210 39416816 42996284 29056956 22083728 55314464 61893016 51117344 19040766 95633624 79151528 34017908 26276728 19085278 58556456 28427026 43250892 44664580 43054592 42429916 22810372 27683976 25715824 386845088 143303360 54232456 133252008 173277040 162904896 22768044 17758496 17302938 296690784 158194848 54245288 234228976 22338172 307301600 19104758 145925616 18827214 177268560 88004648 161504128 14672676 30724590 32529516 486724128 129870832 26145776 58556456 97862720 99771144 186873744 335865728 144876896 121969520 14994205 56155208 10673257 123922952 27131990 12838232 38166852 11486796 105174320 230576528 72849744 88745064 213924768 223822176 164971472 10253952 51121644 52474384 149518304 32135852 12625280 172531344 79960200 16355689 19949938 14217710 84616832 147045024 58097000 43315420 33125016 50478004 83026832 133524200 53558312 57400440 134597440 311093824 18018418 253502400 155388560 71501240 41697644 96914752 183241792 222174960 40867840 246428864 33061414 232396080 27408104 13298096 93035824 48024168 32610064 325440928 58581968 52562504 156084288 134073648 19533788 14128953 36158764 23826876 372324352 46520896 108144968 223031264 20904708 99351080 384050784 76360144 28578094 55150864 79392752 30491566 38764612 39268076 83646832 27963306 457271616 93175648 139369312 56067780 73560872 67484512 41553736 37175440 209660960 72540632 24710504 26587848 129662424 69319256 24438288 58530944 34616684 493987168 46049112 387033952 236954080 24441190 180460144 66223132 120350976 189682048 90820472 241040528 20586816 114149192 81055112 618196352 53266556 243156000 400897568 71603104 941755584 12411470 55065508 97798344 57794512 29193386 46576412 40229536 223666448 168538704 80708336 25219262 31385894 138606864 184714336 53154196 32127598 239207232 142627408 89566176 169826976 30590352 707077824 177978752 49586708 27027286 28726252 181453360 76658984 67796008 90360672 93305776 40482500 237493664 284757312 120013608 82231824 371265280 374306976 22762876 136201456 181368608 82790472 119037960 54092944 51527476 85432768 198189360 117642760 177773136 9693952 119042088 489059968 249460928 71159360 186859408 97755688 200766640 16973922 46591860 92125048 64685248 19506966 192428384 100180360 31960666 53105016 117749520 88915872 36613364 255691616 31785956 247161904 23012834 40268076 17951964 406961504 48088728 31580622 56410868 32274562 13354575 109505608 127292176 84110200 97523264 160366080 30193620 204698832 98911664 30905956 65196400 72657656 299705088 30851762 91701264 52214060 45436128 362042592 473711616 butyrylcarnitine (C4) 11779310 10903775 6542030 7827172 8964810 11598425 9824382 14841513 6231132.5 7153264 10943079 11121944 9460698 9841309 10733918 12287445 8991046 10772455 9516508 10279596 6641840.5 19933500 11457742 11611101 21107420 10116213 8514432 6191300 10110013 5289195 11049596 5459081 11038811 4991367.5 9853628 15032813 17229896 21237682 8785855 6244956 5238144.5 14728563 8278392 10690706 14933035 17554462 7671362.5 7414591 12825491 17425624 32581194 12607229 8843051 15695943 85632720 9952790 5796844.5 26036914 2771801.5 7509685.5 165102496 16359392 140997584 10333443 29745486 6230334 9600630 7865606 38899936 21775452 30551030 8967915 32967942 4816555.5 34891536 32797568 9414301 12679106 25801180 24108140 36037400 75763304 36686976 39950824 11561455 20372030 5046156 49437444 21559428 9572943 19097534 6955588.5 220522224 19034182 7865669.5 46603452 43479760 116604400 10332471 7849496.5 5691814 23343134 26729008 13429929 9855379 14618747 11517075 5009848.5 12608185 14746044 191011328 10327004 11716109 15250515 20852890 17254286 14700510 99033104 51336940 19557734 36717372 82521504 7877043.5 45606384 10818987 47550496 17928652 13619098 10705363 27764406 10004322 6066769.5 8575992 47012700 25202246 6989983 26148934 9016089 5718510 219864592 22052818 7587956.5 58474104 54310840 11115515 5632922 5443175 21890188 33680428 13367570 8322209 17532400 4845006 22222144 30499716 22666260 11756462 11198944 22201574 7439030 6148133 19736028 7550951 6936299 27380800 13814426 30764700 22923050 73465400 23587130 8376267.5 10682687 5140635 9323593 9265639 16806414 19058110 5176652.5 12727185 21327008 19357276 20219936 39005668 46676160 10030047 10046034 10601560 53045868 18611712 43943116 16743045 6584250 18948230 14233243 12325183 8623164 29222388 12988047 9148366 32336884 7231954 24819004 15489761 7906329 16075816 14580068 99184120 86776576 87495064 39590008 5661504 4749213.5 49665764 25624478 18532994 7753893.5 22024462 137845456 30384780 8542988 56556568 36250304 48553928 8002480.5 14580068 9344744 34181380 10300111 50912736 29838718 34316808 16018299 42540460 56303096 14926893 18221386 73085088 3710687.25 17262778 16284257 31451214 21385366 11058283 8191795 33947540 27769840 19229556 6456261.5 14906750 3444635 36432852 11278540 18725578 150862160 14170443 6798824 6883154 18892638 314485376 13946047 5371652.5 131011432 12867622 8953187 19834050 18118316 23512098 9374417 23275500 8731389 69089208 14476054 12572364 8256869.5 12623372 8919898 13930290 22957268 20075822 9702253 11881030 7774530.5 22821070 27616992 10570882 26713790 22921534 21286762 6599586 24762528 37516296 12622251 17356840 11000868 21936346 7059823 10141601 49422476 isobutyrylcarnitine (C4) 3912570.25 3006876.75 10639007 5893600 14075287 10339990 2672828.75 7433297 9263113 17604622 7451186.5 13186131 14806053 6836929 6428311.5 4373817.5 5217351 4777291.5 5981354.5 4366662 6515587 19313114 17712910 4336041.5 31184002 4411203.5 13918232 7886938.5 13250827 8274803.5 4010679 7924939.5 19536292 22058770 10853834 5250423 5656911.5 12105479 9681299 9976802 12262326 18950734 3465212.75 8596396 12283217 9015634 4375034 7042912.5 12837710 17476466 49145656 13638865 7699106 13723134 42175884 20925064 9800119 11116831 3020604.5 17319794 9142145 10186206 122408496 12913370 71357984 3629039.75 28014832 10140285 21156676 11371099 29850336 6953011 9644435 3755307 45923784 30563602 7820192 9352764 23330658 31300686 36351748 25349232 36332464 28547160 2525459 40836504 10405343 47825168 9603490 6112650 5441989 9646041 57172540 48673352 13812619 22654078 33496230 60644560 31436358 18198092 18737850 17378532 15984054 7317400 4144224 17097040 11190809 8801648 5085645 3213574.25 18205438 25204904 10827453 9871183 3235086.5 10137174 15422836 92440280 31403440 11782210 16929628 75695456 17130164 13989024 27303610 12093978 23790616 12917063 17626530 38268136 24766972 42571204 10901770 24866490 9432922 4428920 42691276 12575914 4996391 325012800 2505323 7322832.5 56264932 36617228 10060772 15370130 5584835 14799594 51401916 7964139.5 9737950 14685820 7444845.5 13488677 57622376 18027366 6550605 9829152 11876086 4326125.5 5350578.5 20628904 15055276 31382548 22424886 9813875 29958544 9101435 18299160 9874870 5961444.5 3069429.75 10480264 8566136 24815998 7560049.5 7529333 10169357 10304046 9553529 14473650 40745840 37221808 34329028 27536696 10622417 37988740 8779999 78326984 20138828 14769620 23696024 15775631 20876696 5166645 29470248 5398223.5 22352944 14021321 2474888.75 82897016 6241540 49558228 10372889 5645029.5 13307325 9189975 5216977.5 78279040 14612245 43601740 3841092.25 11743824 14212238 28855182 22266778 11044941 17260734 9912099 37123260 26953694 8260250 78867560 80319872 22929220 4753220.5 6000475.5 64601328 12104884 8807355 18401442 11805479 5954761.5 36723896 43926208 13661303 9506649 47339676 17299736 8220908.5 79536488 35064344 27770982 15185615 12913370 7381370.5 14250647 26504898 5172946 45728900 7138130 37696156 88499608 20698332 34086600 111869360 33065662 35365604 9137017 6226653.5 390573792 12469096 9775844 66382916 16699516 4589076.5 13918437 52779496 10373346 6889753.5 10065118 30230314 38197244 5273454.5 2331666.5 9729799 23111314 24373282 8995720 7423284 6421438.5 5034390.5 25260654 6991767.5 11190774 23224824 23284542 7208679.5 21105682 10823319 3085607.75 34786772 8440269 14755582 2307061.5 5960256.5 10236227 6387143.5 75588032 36851820 trigonelline (N'-methylnicotinate) 69871072 37300000 9487584 26641944 21645568 7064619.5 46142600 9852338 4469981.5 78755216 19024988 7989198.5 43911020 17943596 17348936 10900182 51472820 6151088 32496732 38128284 48667596 97461368 17025454 37084332 5621631 69254312 22703932 48866984 64347476 7955002.5 59007316 58827216 57118676 249997280 33606776 7539350.5 16889014 76169648 97086336 54214540 8678312 15369713 104996224 11916901 43311644 14346070 12380488 11649254 9648239 15771587 130830680 44768084 6671824 8828483 26802276 5397852 12284197 9793557 6285008.5 64558696 14326622 3038928.25 5590237.5 7645732.5 125803592 2969303.75 42433916 15501546 1294264.625 6566033.5 18866490 1585300.75 6570547.5 3541286.5 36791084 3017283.25 11125060 11108528 810930.3125 18552552 19924626 23490458 2588026.75 4149500 3814952 2367301.5 8971583 13347418 724188.5625 3940901 2284681.25 2483380 10988453 6936852.5 6987022 17700634 66125020 19085286 5761204 9482533 5142823 8794958 3081152 4025218 1748994.875 24202604 1576612.5 681030.25 3916658.25 2351853.25 10988693 9551569 1677060.375 52641900 1185835.125 12241955 10779926 4017089.5 1464676.375 1577153 51112200 54384068 6310881.5 3089777 28472288 6184625.5 5756122.5 41836988 20996846 13816880 9648239 45785244 5533912.5 7651843 1390015.625 1818603.125 3825532.5 4323786.5 14506205 84372488 6802828.5 785565.4375 7474450.5 1513515.875 8950726 4432642 3132119.75 13566065 10317963 40510344 9385026 3077462.75 599671.625 25919640 7359334 10078792 936563.625 3754993.25 10192790 17140620 1036256.688 2634158.25 5970723.5 5429693 54219204 748065.875 584388.3125 8089589.5 9195346 4985759 1454008.875 5819777 133829816 5322206.5 10581836 9202239 9689018 390753.3125 4357225.5 3506546.75 4135549 59605400 9780805 63641756 9312741 2783829.5 49174072 5827029.5 47061452 20931338 4157984.25 2098582.25 7864036 6458042 5442052 50556724 4055578.5 35563068 27511730 1831838.875 78986600 4530701 5038967 9759136 15428619 2399921.75 1655431.75 248848.5 21869768 657578.375 10242026 6714520.5 8535170 18083384 10572541 7355504.5 14945272 136133408 3560119.5 10034680 22950052 929352.4375 14737664 17683846 513096.75 5407610.5 707251.3125 22407766 38247368 11968159 27130116 25074526 5042709.5 31757600 10657065 44713552 2539989.75 88364176 22130980 12237005 9607460 13941870 21074682 5354264.5 14069108 2831449 8064789.5 31648962 62323080 119137088 1134788.875 10867007 149259200 334165888 8500357 20881310 48055140 262122560 18963542 12219352 128756320 2305842.75 3912557.5 23167116 23212634 1819411.375 2326961.25 5702906 8580968 3671723.75 48569052 7232100 7335232 718231.0625 9176654 1271280.625 65499568 4680933.5 18040804 15043224 9747890 4088185.75 7859707.5 74040872 2195762.75 84960792 50232684 2877186 9449990 8593631 4055303.75 48827148 1673319.375 131075736 1598968.25 6749331.5 4231703.5 4664144.5 73631328 35511524 "glutamate, gamma-methyl ester" 800448.1875 683486.375 696084.875 742206.0625 554264.375 760287.9375 726360.6875 698807.4375 803028.875 985979.875 950056.5625 680268.375 913450.9375 668229.9375 663807.8125 969659.5625 668973.4375 788718.125 887626.0625 927478.625 668325.125 996847.375 476544.4375 769576.6875 884440.6875 898273.4375 714017.875 661510.1875 750345 679526.1875 593493.1875 527616.9375 1087244 881784.0625 579910.8125 823938.125 897824 662637.75 840645.875 498161.0313 474464.625 207047.2188 554081.9375 461226.8438 738281.3125 626533.75 796311.375 650607.25 1509289.875 848113.5625 718554.875 767161.625 1068168.875 1105050.75 1315817.75 753261.375 794899.25 934283.4375 644678.1875 1189435.5 1672011.375 653054.1875 736170.25 592887.375 578355.75 679327.75 916102.9375 718351.8125 821787.1875 667505.9375 1290177.25 760073 838069.25 402370.125 1020362.688 1260260 637528.3125 830733.375 541405.9375 1108415.875 730355.4375 1676050.125 902845.9375 597925.5625 696276.875 483679.6563 859178 628192.9375 344450.9375 646681.0625 568071.1875 542390.8125 688742.125 809962 891687.9375 1296300.5 1047574.313 1091561.75 867054.375 413882.5938 395792.2188 376522.3125 837038.5625 684024.3125 508635.1875 626037.125 520117.0625 666024.8125 690597.9375 762225.4375 841386.6875 847707.1875 764797.5625 650438.625 562086.375 1060661.375 846060.375 1440553 810691.9375 656873.8125 3192271.25 1274145.75 592381.8125 1699475.375 972988 651930.8125 637688.0625 549581.375 666419.125 1078860.5 928612.1875 314499.6875 427285.6875 773613.5 692525.375 495734.9375 650169.25 1001622.688 567243.3125 816985.1875 900955.125 709918.125 2055268.125 732104.8125 541203.875 575311.3125 971715.625 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491771.2813 884053 912009 946085.0625 812784.75 601887.75 1073481.25 559049.5 793100.1875 1771027.125 957906.625 358969.8125 463095.1875 936327.375 667974.875 597474 1069352.625 854164.1875 557195.8125 602790.5 678843.5 2734110.75 788581.1875 756118.9375 1937881.375 603517 766328.0625 1169944.75 703556.6875 1252749.75 587671.1875 489516.1563 822529.25 953212.375 183310.4219 760996.75 448992.5313 600082.9375 546671.75 723968.625 636970.875 1411652.875 526488.5625 726663.1875 750345 583755.0625 998959.875 1030484.063 530241.875 1352403.75 707760.4375 496278.0625 908647.3125 2012532.875 931548.3125 764914.3125 550344.5625 627219.8125 554979.5 985362 598002.3125 3-methylxanthine 135018.6719 569195.4375 125666.6016 477958.125 63353.1133 116752.4531 205266.4844 212915.6094 286563.8125 1422912.25 739454.875 748541.0625 900816.6875 80695.6406 189086.8594 143280.5313 162766.7188 317087.5625 367355.1563 762557.625 207050.2344 371262.5 264919.875 85123.4922 246236.8281 2706226.5 193386.5625 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259543 175310.9375 107344 65373 193085.5781 121239 99435.0078 146072.0781 192673.8906 106366.0469 205782.0469 131988.0156 167677.6563 840588.0625 171515 357531.5938 352559.9688 158380 186435.0156 187836 59205.0039 104381 115758.1797 148358.8438 186804.0469 93020.4766 121196.2422 46224.5039 348921 267721 296923 198557.9844 196131 87203 124663.0078 127867 111744 558153.375 202735.625 86610.5313 412925.7813 107575.9609 232190.8438 75098 104324.8594 77396.4609 124805.3672 191325.0781 209972.0781 290698.5313 151305.1719 306926.0313 140511.7031 77476.3672 205329.2969 332399.5938 277237.6563 244741.9531 397897.1875 168465.3281 324254.0625 283177.0313 148995.5625 317872.9375 288767 258858.9844 140902 162823 338920 397729 164585 gamma-glutamylvaline 5277505 2988020 2949647.25 3829062 1660183.625 4152891.5 2643968 3125130.25 3455698.5 5739381.5 4195486 3096875.75 2851998.25 2616790.5 3167689.25 3725541.75 2049822.25 4194767.5 2246309 4067194.75 1663304.875 3866768.5 3555800.25 2345731.5 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34984800 4347575.5 42716544 14456711 101606696 2474744 4432663 27037662 4285894.5 2063643.75 19465752 9088453 2444014.25 2971983.75 8127054 12438016 5006433.5 49750932 2383155.25 44435832 1818677.5 3092482.25 1440915.25 10005267 2047245.5 3296564.25 2549515.75 3030548.25 1287667 9218808 63303076 3926787.25 13893923 50700020 3356649 17954960 7439883 1892685.375 30609992 2756267.5 60878864 2202468 6613481.5 7990374.5 2089534.875 46543516 22117608 guanidinosuccinate 132763.2969 331156.75 165068.3438 93049.2109 156206.6406 208781.5 196269.2344 134686.5781 322824.4063 80965.7656 181224.3438 129600.4844 257684.3906 3029356.25 944750.75 757833.3125 1498561.125 1743859.75 614056.5 3911632.25 13176241 1174033.5 710993.8125 814647.5 19525094 292511.625 231292.5781 3360063.75 2269706.75 859803.375 1154359.5 2759805.25 1046552.75 2541908.75 844468.625 1546248.125 284992.3125 2404111.75 1411044.5 1358853.875 252569 104187.2266 1428315.375 295643 160522.9531 621245.8125 12595401 180494.7344 265131.7188 14648929 1245398 1646907.375 187459.9844 159906.6406 2101225.25 5344554 1106576.5 115892.3438 5816664.5 494918.5938 53491372 201501.7969 775179.3125 3357129.75 546295.6875 2316561.5 929092.6875 14361208 773282.6875 258429.4219 159305.4844 196878.2188 179740.1563 3697653.25 584237.8125 10438845 89215.0313 333659.1875 491264.6875 11927863 107983.4219 4965290 687811.4375 114603.5938 3124836.25 2486076 989094.4375 1171957.125 4430741.5 248067.7031 3737641.25 9345221 31018328 111594.625 8818667 413070.9375 3271927.5 7608845 554643.9375 2613668.5 348804 26959056 711429.1875 136833.7656 730620.5625 560575.5 130854.7891 64915.1328 2916607.5 881773.625 515946.5 104286.8203 10919472 14419186 2229120.75 2590818.5 233463.3438 852136 786089.3125 684945.1875 231417.9688 124483.5938 2044765.875 44909300 4219909.5 5188213 15377137 3723068.75 856004.1875 1400585 2345685.25 547359.125 384847.5313 10922273 4791843.5 652818.1875 114703.875 345178 1406934.875 229839.4063 1717674.25 3391820.75 165054.1094 282685.4063 677125.375 1824049.125 4042417.75 3694335 142456.1875 10363967 5217338.5 gamma-glutamyl-epsilon-lysine 1053961.625 431249.9375 682843 351840.2188 530745.8125 479436.1875 559530.1875 482779.0313 335237.875 378124.4688 480373.4375 363148.9688 853612 757400.25 454651.875 705655.25 759084.5 380543.5 554815.125 848071.5 509206.8125 714904.4375 985786.625 624101.5625 512027.9688 450790.875 2082594.875 709321.4375 575584.3125 971910.4375 668710.8125 634622.3125 1060262.5 2029236.75 560481.875 357100.2813 424436.1875 1727664.5 665928.9375 277916.875 649827.25 917216.4375 388717.7188 1034228.313 508561.9063 1093574 1597999.625 376522.75 252132.5 300289 1201814.375 947592.5625 548523.1875 398526.0938 838889.5 561903.0625 1322055.625 365147.6875 426491.2813 378726.4375 356917.375 191648.4375 690182.5 659755.25 289419.9375 1086597.125 631658.3125 594934.75 583126.125 1591145.625 1324365.25 834191.0625 152324.9531 262426.2813 651415.25 865399.25 295256.0313 301793.9688 699613.6875 646533.9375 250253.4219 176903.0781 361954.9375 591780.875 514444.5 460287.2813 247468.3281 498294.7813 454097.5938 805929.4375 637565.25 227071.2656 1352016.5 1622334.75 1000891.063 118802.5391 298838.1875 492752.0313 1192329.125 438667.1875 450518.9063 1355838 189790.2656 262404.5625 244791.375 313616.0625 484822.9688 461469.1563 278960.25 519904.5938 942586.25 120679.7109 981723.0625 814187.3125 112630.3281 378206.0625 2688974.25 392634.9063 870207.5625 847728.125 297256.5 491893.8438 220841.8125 97835.4453 504237.6875 788413.75 566023.3125 357012.5938 222888.5469 779608.125 643373.875 3219433 966642.3125 858592.25 197666.2031 311930.5625 352190.625 792061.9375 253666.1563 484599.2188 689276.5625 590262.8125 165691.1719 644202.9375 148794.5156 511032.2188 799105.3125 242187.2031 828376.875 1610366.625 129367.875 910252.3125 452658.9688 787155.0625 519188.0625 1147526.625 335180.5 923169.8125 282699.5313 850469.625 534069.0625 413258.0938 694902.375 553361.75 1475495 324332.9688 542018.125 481227.1563 338227.125 639897.6875 577728.8125 563075.0625 340592.4375 417701.6563 1126620.125 402688.875 630693.625 386782.25 630826.6875 1242405.625 69645.2656 320919 537250.875 506749.75 456557.4063 387871.4063 475163.5 229885.25 2823561.75 1194737 575951.875 322745 1349141.625 1261779.125 607727.6875 982682.375 1534090.75 545199.875 1025016.688 353738.5625 388321.3125 2436413 395517.7813 672216.1875 483090.7188 412039.2813 664777.5625 461786.125 399429.4375 387476.8125 1389797.625 365576.5313 410362.2188 246870.125 1840091.5 269533.125 1496373.25 201166.5 337724.2813 807207.3125 834045.5 349694.4375 1084629.625 523378.875 231546.4531 603612.3125 2527510.75 718823.25 1090740.75 453540.5625 1057477.375 479259.3438 1413254.375 1172003.75 N-acetylarginine 1537855.125 1747587 1675145.875 1348969.375 1363447.625 1758496.375 2383194.25 1100584.5 2147004.75 2078997 2310787.5 2259161.5 3271047.25 1398021.25 2184181.25 1705026.625 1887145.25 1476281.5 1076150.625 3535749.25 1184313.75 2391060.75 2017209.375 995368.5625 3519828.75 1427169.5 2483404.75 1532113 2243897.5 1485959.375 1344275.125 2860194.5 1339226.625 2958273 4002979.5 1476408.75 3060359 2850800.25 3147234.25 973141.375 857413.25 1398083.5 939550.5625 1360304 1286199.25 1924801.25 3271499.75 1224018.5 332515.0313 3770782 3942860 1673786.25 1635619.375 1148548.5 608201.625 905837.125 1247498.75 1055696.125 596297.5 2667683.25 534185 362264.9688 741238.0625 1074938.375 1243004.875 426057.6875 1057930.875 581277 1182023.5 885436.625 1979014.25 650092.875 1186795.625 159053.1406 1953345.25 509609.5625 312958.75 447306.4063 1627958.125 2381547.75 1114159.75 511080.2813 1104928.75 1120335.5 256895.125 493296.5625 2699068.25 225110.0156 319930.375 827443.4375 930344.6875 1071571.5 1874324.25 738270.4375 1184840.625 4562828 2579986.75 688625.5625 336658.0938 1167268 222221.7188 431401.5625 653036.8125 535063.5 2094797 508581.3438 391590.4063 521886.625 718206.1875 890257.0625 553313.5 894850 889655.8125 561058.0625 618162.125 585757.875 1486832.75 824874.1875 705417.0625 1138315.5 736065.9375 598110.1875 1435030 694928.0625 1702869.75 533382.5 587538.625 1676413.625 1966936 4836679.5 1140473.875 1687490.625 600201.8125 245859.7344 1000831.625 511975.8125 367068.4063 1917440.875 977786.75 446273.5938 3982728.25 1136157.125 395204.2813 873345.625 402278.3438 844618.5 3527998.75 622228.25 812495.125 1808596.625 576550.625 3757557 594309.0625 273763.9063 297175.8438 1467503.125 587435.4375 296541.9688 574603.9375 1214035.625 1076204.75 807271.3125 1987177.75 1471209 355530.9063 962027.625 1717732.25 733316.25 1708377.125 447531.3125 271629.2813 1298658.875 831384.8125 1585384.625 585294.5625 682520 938655.75 4222894.5 541944.5 4009662.75 3486155.5 904251.25 3182484.5 398894.25 781860.0625 1003050.188 886341.25 2314298.75 306501.0313 1280423.125 1511589.875 2935614 320214.4688 2085182.75 4039265.75 416529.2188 1356138.25 585526.3125 1348148.5 726851 655626.5625 450424.75 346830.5313 1308196 1258692.375 963244 947806.8125 238731.7188 1818414 1143513.125 620974.3125 545042.4375 4350049.5 365895.8438 858893.6875 2115538.5 339452.3438 4137057.25 2689765.25 944277.9375 842350.375 654247.375 2722430.75 1413950.5 1373240.5 2523147.5 585216.875 1067369.5 2523503.75 1708484.25 1283020 1271438.75 7763320 675397.125 1214804.75 2829619.25 1138315.5 730914.8125 1185641.625 604421.9375 1029089 2378583 2162257.5 793544.6875 8780142 976147.5 1557703.375 2813579.5 1124785 1642628.375 676015.9375 3453619 693362.25 400208.875 3608053.25 478985.8125 845069.375 5608663 1561154.375 291683.0313 2224343.25 2446524 4196587 494551.8438 2486674.25 895005.0625 1403788.75 305757.7813 279081.1563 193606.0469 1141784.125 714831.5625 1380679.25 867674.1875 2709105.75 587452.75 2729502.75 996905.375 3387172.75 2097629 2395968 239413.25 1576455.5 854543.125 1196593.375 2556236.5 368722.125 3777787 1788638.25 569753.375 1210024.5 628113.5 2618040 1301760.625 N-acetylthreonine 2233918.25 1777137.25 2138215.75 2435875.5 2070402.25 3355354.5 1483360.125 2030032.625 2348592.25 4496427.5 2236370 2280813.25 2755209.25 1774981.5 1693919.75 2579183.75 1833901.125 2382760.75 2225446.25 3136258 2341845.75 2170913.5 4103796.75 2244991.5 3743620.75 2497078.25 3161044 1890667.875 3559445.5 3361813 2626445.75 1978228.125 4168904.5 3056037.5 3283848 2050561.75 2583454 4210473 2459134 2011865.375 2409996.25 3924414.5 2195997.25 2590921 3825106.5 3058990.25 4843922.5 2645811.5 2799501.25 2681302.5 21004094 15551280 4161210.25 8027998.5 26637406 19882106 2873901.75 2451951.75 1680388.75 28364632 10889883 3699814.75 25291274 2642382.75 26523454 1993846.625 13384319 2618998.75 11260285 3038412.75 17271698 3379415.75 4266795.5 3709255.5 20163566 7839027 3189827.25 4603391.5 9234378 16750214 13231654 15135403 16927402 9659825 4069736.25 7373002 2413481.5 11187535 3281713.5 2492236.75 5322726 1512236.625 10027512 15572851 8360204 10529356 28864830 16720563 17249458 2793148.25 4492176 4505577 15128339 5464565 2862453.25 11704847 4759345.5 2513406.25 2391665 3167077.75 5388541.5 14178995 6691142.5 4816827 4066799.5 6593637 7292024 27657100 5510412.5 6511304 19680228 35853020 2887052 15503851 14505624 6437274.5 5193868 8362502 12221118 30964364 5423177 25459806 4119547.5 20338402 3289115.5 2462135 9511092 4283048.5 3190690.25 36649928 6655117.5 3950005.5 13993533 12972822 2860787 2646449.25 3725323.25 4421386 18406552 5742407.5 7643436 15426662 2301332.25 18025770 26613014 7898062 3163117 7091060.5 7670911.5 3664669.5 3969784.75 4301212.5 6789871.5 3744714.25 27075356 6732255.5 11153597 3930600.75 6976768 5251049 5441516 5667046.5 23942646 4978995 4271451.5 4484531.5 10061016 5654358 2674447.25 7526001 4405634 24845732 4646100 29347174 14157005 4135124.5 13639353 5705187 12965412 14110923 8003142 18866580 2808857 12538530 5037929 43209696 4026551.25 22787886 37925156 4109360.25 35059672 3158814.75 10185160 12338836 2560976 4158357.75 4958108.5 3470427 14004425 12206342 8676510 3649511.75 3485460.25 8928954 14357439 5688907.5 3206101.5 32574494 14668878 8692277 7906481 4661858.5 43563428 13933243 5829529.5 3115901.5 3419774.25 13951910 6424884 5633646 6811283.5 12602407 4633309.5 16823212 18753766 11378990 8205577.5 39847036 33099700 2537136.25 11132571 11736609 9020628 7846739.5 5585614 3772618.5 15602752 15372544 11444260 23546190 1661981.625 9781032 47888280 21245066 5283035 33235464 10815212 29747840 2117381 4105217.25 14645326 5464565 2331625.25 29918942 9678477 4445938 4811122 10151522 18355802 4662592 22091788 3760921.75 30205322 2403311.75 4040306 2206404.25 9220121 3235025.5 2921525 5410151.5 2593906 2334275.5 7159937 23591770 11156804 15572717 16815248 2980542.5 23181746 7511187 2763358.25 14533798 5497778.5 25146572 3056268.75 8673979 5487614 3544098 40321436 17904554 gamma-glutamylglycine 6531531 4663580.5 4896972 7192718 3414880.75 9393158 4488317 4203023 7084846 7014442.5 5868039.5 6078182.5 6611403 10809710 5264767.5 6906119.5 5779159.5 4608062.5 4964416 6739970 5057886.5 7079777.5 6930426 9573750 9033748 5633987.5 6494764.5 3147122.25 5376061.5 4058402.25 5402435 6065174.5 6757180.5 8434212 9237267 4565549.5 5277753 10346344 5905981.5 6576804.5 8787104 7045745.5 10821392 4854514.5 6412452.5 5541966.5 9143497 9504771 5460351 5352373.5 4551546.5 13052634 4062234.5 2874754.75 7374467 3724443.25 7871454.5 3594247.25 2652852 4259074.5 16730856 3469958.25 4290283.5 2529845 3627287.75 3485720 6407448.5 3007790 3922963 2426737.5 11241448 3269332.5 2870547 1621703.375 3517421.25 8048016.5 3570822.75 5248581.5 2373728.25 3724874.25 2121478.5 18042900 3230948 2654664 3564135 2274262.25 2074174.875 4708258 2571191.75 2790461 6252965.5 3493410.75 4196532.5 4269015.5 4073740.5 4963802.5 5534485.5 5780111.5 4181825 1043714.563 1960268.75 5548372.5 2576855 3138805.25 3779859.75 3400366.25 3437257 1676542 1592137.25 5045297.5 12329673 3710334.75 5400600 3369960.5 2748093 7703945 3208735.25 2203255.5 2763557.25 3859473.25 51784308 3947071 2378148.5 11904267 3704073.5 10242185 1952800.25 1239762.25 3156899.25 3768831.25 4619506.5 4226507.5 3325553.5 4574863 3458194.25 3518841.25 3195141.75 2485058.5 2158868 3129679.5 4507172.5 2388651.75 26623432 3732072.5 2178137.75 3709567 3157044.25 7267583 2857819.75 1494399 2494953 3357318 1414327.125 6799236.5 8012198 2448794 11555107 11943244 3514737.5 4115592.75 4234461 1633446.25 4816726 4721168 2184497.25 3860052.5 3713578.5 2768232.25 3340316 3967328.5 7227057 10051609 9415074 2997279.5 4939204 5108372.5 9367112 6197572 2362641.25 4819490.5 3658978 3451030.5 7877318 2203759.75 9473564 6138251.5 2265507.75 4259074.5 3937549 2772435 1912272.875 5060281.5 1220743.875 3384017.75 1342887.5 1848316.75 1678344.125 5034210.5 5633632 1520158.125 2325465.5 5653922 4911008.5 6586971 4072774 3944856.25 3142364 5609526.5 2061032.125 4939170 662248.3125 6618656.5 1417041.25 1754099.125 4249424 2256557 3490848 6300733 4832978 3537255 4766016 3422734.25 3254117.25 1966580.5 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254009.7188 61816.5352 58979.3672 99784.8828 59529.5156 216801.9688 405448.4688 126575.3438 73851.7422 42603.8086 188906.4063 130225.5625 82135.4453 20622.0723 104167.8828 206780.6719 320223.4063 219347.0781 113376.9453 219813.0625 354320.6563 156235.5938 106790.2266 183602.3281 137601.8125 143438.9375 208077.2031 85625.3516 174763.9219 73511.1797 143817.2656 89230.3984 41272.5352 32916.8398 96421.9375 77738.1719 169736.8281 111210.6563 350573.1875 214818.75 264418.5938 136629.4688 152195.1406 179489.7969 274831.5313 175808.75 109353.7266 198401.4063 175357.9688 255844.8906 107520.1406 473215.0938 147913.0156 123026.5234 78854.4063 107800.5313 79732.6875 72017.5078 232287.0469 217970.0625 229655.5938 199141.75 260357.0938 60756.4844 114774.8906 147709.3594 300942.9375 288557.9375 83145.8828 414165.1563 131945.9844 395684.1563 234189.1563 166502.5156 112664.6328 57032.875 188125.3281 89981.1406 140913.2813 221666.75 174842.0156 140033.1875 N-acetylproline 693819.5 349760.9688 230318.3594 364814.5625 506997.9375 465654.875 737871.5625 333540.5625 389272.8438 1218369.125 414071.9375 622705.5 439912.4688 295409.0313 626873.125 420513.2188 195508.375 612011.25 187802.125 538769 450353.1875 208306.4219 3471064.25 2633194 750631.25 452911.8438 285964.3438 103762.2734 526466.125 212539.2656 980469.75 395153.8438 497252.3125 510385.2188 263055 349185.2813 492354.4688 380390.1563 643971.8125 377339.75 355400.1875 319627.3438 526341.4375 349727.5313 460491.9688 778639 157256.3281 311046.1875 490301.0313 504322.7188 1115944.875 1529480.75 922402.125 742661.5625 1635378.25 988743.25 479832.4063 353572.3125 300120.0625 2333897.75 667183.8125 192715.7656 777811.4375 484910.5625 2709597.5 133228.4688 1149150.875 362433.5938 748425.8125 575746.375 1548521.75 418389.4688 294970.125 133569.25 2712859.75 2779700 284263.1563 1064603.625 248422.6406 723135.125 702859.8125 1346674.875 963832.4375 562959.25 373038.7813 427482.5 295617.1875 1110444.125 167177.8594 211410.75 913410 139468.9063 1402020.125 530877.3125 727354.4375 737233.625 2796880 1285828.125 994871.9375 202005.0938 434992.5 953097.25 371375.7813 255227.4219 401115.8125 558305.5 351441.2813 116384.6406 208031.0625 505967.4063 458689.2813 735967.6875 1669836.5 544307 312631.8438 557256.8125 186768.8594 485506.6875 755063.4375 851504.4375 238777.0938 2501732 358421.4375 1223435.5 778422.125 2624300.5 226764.2031 582242.1875 841783.4375 1575183 918525.375 4426334 430820.6563 1163896.875 309095 477728.3125 295177 257604.4063 392611.4063 668650.75 124313.4297 1292001.25 605546.6875 693255.5 275714.875 198773.875 1507638.625 89805.75 218176.875 1856000.25 246334.6719 4188232.5 475012.625 729579.5625 438377.8125 270612.1563 294789.2188 133706.2344 251088.1563 367442.9063 424362.1563 2743113.75 232500.4531 571405.125 267556.8438 1410796.75 491643.5625 842725.0625 373858.7813 4910016 254942.3594 787939.875 285467.9375 994393.25 899134.1875 307803.875 427570.0938 1724008.625 923392.375 3570196.75 1155822.75 872310.125 609765.25 609894.5625 726370.25 1147998.875 711493.875 2052784.375 234116.1875 838058.25 523357.2188 2652076 557902 1217615.125 2990598 357369.4688 12566624 1095661.25 1363710.25 1011582.438 293166.7188 1136376.625 521750 557902 1417757.5 1124758.375 907950.8125 287870.0938 264481.8438 518396.6563 1109716 389949.3438 401627.4375 2751810.75 1158644.25 245663.4531 263490.9063 438111.0313 2769909 658439.875 225284.3906 476653.5625 82913.2656 523491.9063 725295.25 262185.7813 745081.625 1380166.625 688093.625 1965874.5 1729498.125 1567716.125 2834041.5 2534133 823019.5 590003.125 864923.4375 475780.1563 590134.6875 211358.125 1111793 1943892.375 951426.9375 3887927.75 368235.125 1412353.25 13765275 4795184.5 373322.5 1228512.25 332363.2188 6154986 282403.0313 254961.5938 1005102.125 599353.875 2564673.25 377989.7188 905878.1875 417621.5625 456443.7188 2666980.25 380991.0625 1535511.75 362142.1875 1042753.563 396526.4063 715458.9375 285149.7188 783040 358553.9688 436550.0938 557573 557902 170443.9375 508801.8125 3677779 854941.375 1211052.75 1849289.75 246445.1719 1758972.875 848717.25 197668.5 1702155.625 948081.8125 3049545.25 497044.6875 202958.0781 878907.5 527940.125 7106663.5 1171180.5 isovalerylcarnitine (C5) 5286346.5 4723989 5891418.5 8058401 3185632.25 7011018.5 2786814.25 7233105 2208831.25 9845963 7316766 6826989 5966031.5 4354008 4029610.75 5491346.5 2267505.75 9512525 3091359.75 5738185.5 2324425.5 7344286 6431947 4447857.5 5256374 2079429 5167531 2555192.5 6029976.5 6037213.5 2886924.25 2168012.75 5032241.5 7458264 4387539 2545726.5 9692905 14873177 7391106.5 2527774.75 2346165.75 3728258 2454308.25 3859577.5 7007961.5 7467366.5 5002145.5 1997847.5 2999033.5 7319341.5 12969300 9489713 6943993 8234656 18158360 2581719.75 3190803.5 8169959.5 4978210.5 8348119.5 14498138 14702640 151676496 4095557.5 17443150 7616833.5 6383479.5 2590092 12330219 8523935 37381268 5180594 10413927 3859279.75 18618970 16917794 2613009.25 2945552.75 6938796 12070390 24517000 19155954 17437066 13169741 2309647.25 7806910.5 4937382 31321756 6961687 5422915 3044259 8711097 86187120 19165980 3554889 14949542 22166776 7204823.5 15917948 4682712.5 4728051 41109848 19387670 7501679.5 4345469 8148503 8342388.5 3815801.25 10190202 6267822.5 8568804 7880916 9771626 4212324 2767971 5247974 5735042.5 54973444 41666604 22198288 28909014 28557266 8485198 46603700 9196264 8089016.5 8668433 8266728.5 5325749.5 26859602 32541350 6745573 7900431 16689063 8402625 2031105.75 19953492 6350755 2807134.25 92942168 3898208.5 2704652.25 63645812 16777032 6381800 5614016 2995090.25 8066884 15273739 7049321.5 5212224.5 6338852.5 2375837.25 4795824.5 24092344 5857091 9197098 6045048 8227168.5 5742196.5 5423619 14539222 11189285 10830498 14299883 6138315.5 5601514.5 11925694 23881172 9205011 2635280.5 3831162.25 4020021.5 5103743.5 7048950 5409486 4472415.5 8073060.5 5973053.5 7635616 12963098 8993799 115334856 15628139 20205700 9821131 13105310 5367509.5 60947528 12865857 9928146 30824432 6084024 11985684 4753273 5122160.5 2871894.25 17843262 19904360 4470332.5 19436262 2420772.5 45616348 9897940 5177618 14462005 7470851 13086230 5989922 10598891 15972444 5357350 3673967 11413154 21066116 7716591 7506831 9181564 16359040 16662212 3976902.25 49026984 46074996 27237220 5488765.5 5214414 5771836 26744910 2484941.75 8927829 16352876 8275171.5 5141903 20267674 8024129 11498922 22731666 26317170 4867842 4466586.5 14191757 19731176 5117262.5 14256422 2889691.75 6471366 11396844 7070504.5 2693540.25 3894943.25 2219384.75 9734859 9132993 2990376.25 12585937 108964384 7745881 4440785.5 5915196.5 3643218.75 77475392 7355224 6969630 67015312 5711110.5 2721355.75 12090414 14344228 8669017 4283610 12738723 17954560 11514873 4858614.5 3043003.25 5890722 7395922 10152510 6532118 4444927.5 8012328 2423395.75 4469468 1205461.375 6741073.5 11418343 11263336 10917634 6869049.5 7355224 3857501.25 13837378 7035753 4085823.75 5346171 2945031.5 13255103 5042291.5 7687149.5 8734013 7-methylxanthine 183849.1094 666903.4375 113380.8359 319489.4688 78236.8516 114894.6172 140213.2813 326064.125 754582.5625 771686.4375 745582.375 721222.3125 1841234.5 59426.6328 295020.4063 194679.875 257803.3594 436413.3125 480891.5938 607781.375 164316.4688 262715 217256.7344 88517.9219 374702.7188 2739868.5 244831.1875 122980.2188 515848.2188 695470.3125 2168790.25 311754.4375 103728.5938 416707.25 631707.8125 537860.9375 223169.6406 244397.8281 260043.7656 288695.7813 335972.2188 265386.25 100687.1484 1002878.938 107261.1016 844343.875 89538.2578 455036.0938 75377.3672 213123.375 429706.2188 841101.4375 1090449.5 252349.2656 620057.6875 640960.3125 380318.8125 107788.1953 450038.3438 47498.7266 116654.9219 165005.2656 27527.1953 267626.6563 287346.5625 212561.0469 74701.9688 742672 46325.1875 120574.8594 217785.9375 995215.8125 204148.6563 1625919.875 127552.9297 53486.6172 187970.75 508473.8125 199412.75 151654.25 2560793.25 407173.6875 1651574.625 967934.0625 148890.3594 100347.7969 666779.25 106644.9375 99891.4609 231555.8906 244305.375 198866.7969 415653.2813 45768.6758 368817.9063 247430.2031 896552.75 61974.2422 632573 98062.6563 120098.6172 274703.5625 114137.3438 501244.4375 867375.25 49942.8359 112380.3594 209861.5938 547005 213347.7969 494841.9063 124466.1953 273928.7188 733016.875 443757.0625 78574.9766 363870.9063 566375.9375 198120.375 367122.4375 393289.5625 647919.1875 1153859.375 125624.5313 1280404.75 483283.0313 228436.125 207021.6875 398213.0625 7749855 150452.8594 71193.5313 510067.4063 217107.4844 427848.125 74115.6719 90970.9844 2359800 88190.1484 297624.375 250120.7031 285838.5 102089.7344 1028649.813 46226.1641 63626.7148 68656.0156 709233.25 542129 59628.0859 46389.6133 709247.25 75866.3438 727503.5625 152331.6875 77041.9141 1250482.625 82606.0313 44617.8555 685269.4375 37343.9102 2508826.75 1071299.875 1-methylurate 274056.2813 795171.5625 51080.1484 249786.7344 64325.25 75153.2188 55333.8047 302310.4375 788614 606437.0625 353970.3125 390421.9688 52468.8281 207671.4844 118904.0938 224362.1563 331767.4063 367509.25 481617.125 235263.8125 80079.0391 178800.0938 143132.8594 285914.2188 327854.0313 274627.3438 511759.7813 915587.6875 2077150.875 225357.0313 437707.3125 1009528.688 707403.5 233257.875 333303 95620.5547 700400.5625 746552.9375 86120.0391 370094.2813 106624.4375 109590.1953 66010.8516 2271400.5 894442.9375 190053.2344 224286.9219 2817888 974373.75 144326.0156 3888989.75 163021.375 1535301.375 147518.4688 6519754 1667371.75 161321.1563 251748.0625 305408.1875 668254.9375 45416.5742 59444.9648 2725907 395058.875 209587.6563 221441.4219 1708093 2159653 388119.0313 1203087.875 598141.25 253728.8438 1299022.5 62505.543 532134.375 417323.75 366071 201043.1719 5289673.5 1009395.188 1882939 158195.0781 96101.1016 391848.75 73485.7422 125920.9375 124451.7188 47283.1914 49127.6836 516732.3438 173330.6875 277918.75 52895.4297 286740.25 213588.1875 2566341 44140.3008 196312.4688 97481.8047 5140563.5 527137.25 1086859.375 71891.7266 102569.2031 695000 544248.375 3107016.5 67928.375 5820584 98578.1016 1703427.625 94230.4141 228581.1875 76949.7813 2199515.25 133837.625 404582.4063 543146.125 85483.4922 209540.875 532585.5625 186917.875 140622.1719 659548.4375 1076563.5 3354680.5 254367.4063 71834.7109 391551.0313 194091.3906 224090.5625 45475.5977 213777.2656 5404429.5 203516.8594 77748.7891 68691.3984 133483.8125 4020632.75 146966.2188 337662.4063 145062.4219 119532.7734 2015317.75 57642.3359 3746413 477418.8125 106422.9297 614945.6875 542315.5 1048857.125 512701.75 812485 57046.0039 690290.4375 127945.8125 5544276 41273.1836 1404008.75 4253397.5 9995096 664290.9375 519191.0625 266285.7813 46885.6758 91408.8047 6691782 450013.875 911655.875 1246235 477966.1563 185897.4375 4759161.5 259426.25 411423.75 192645.6875 39495.9102 8442831 1063080 34992.1992 732824.375 297631.9375 1275146 587630.625 64117.5898 1836119.25 1334054.625 328943.5938 125410.5391 3070755.5 6417381.5 162000.9688 326003.9688 528846 281003.4375 143438.0156 162924.1563 1081480.625 1157284.5 1544458.375 2132510.75 778946.5625 5490282 11777223 134081.3125 1881848.125 593503.6875 10100137 78746.9688 241940.5938 8569993 91581.3516 3724072.5 333303 59798.9922 55511.7031 412911.6563 1675729.5 153517.625 1029283.688 3886879.25 79616.2109 1226827 58328.8516 128181.4141 307124.3438 226794.3438 4270823 491910.5 4329134 1950569 68016 1354541.375 217175.3906 1780247.625 3100186.5 241109.9375 62696.4844 3914499.5 981964.0625 N1-methylinosine 852912.4375 499137.625 614746.375 569176 488437.5938 1150343.75 345654.9375 716058 571284.25 1599698.875 673952.75 593570.125 572228.1875 551942.0625 452391.625 610339.875 496548.75 571888.0625 753280.4375 714793.0625 556132.5625 562227.375 1065615.125 755547.0625 1059234.5 381972.5 948490.5625 641300.1875 704304.5 881583.9375 564609.75 207231.7969 1263219.5 852035.9375 741491.75 469378.625 605182.0625 851629.5 634661.375 722826.0625 445347.1563 1297754.25 669424.875 975199.75 1058098.25 1129436.75 1136679.375 512734.7188 849089.125 805059.875 13673064 5312912 1623450.25 2891705.25 16660369 8809591 873084.875 1011918.25 462809.7188 13374701 2355052 1190666.125 12578776 1503347.375 10648295 693655.875 10227052 869187.5625 3668341.25 1256533.125 6803248 1204780.25 1572366.125 1197847.25 11445149 5236137 965741.375 3087391.25 4224887 8384497 13960300 6219542.5 11241395 5822087 1561883.875 3808701.5 839559.25 5171086.5 1220113.25 510399 2691814 635861.0625 5469208.5 6696333 3831526.25 3361298.75 19267144 7555465 11566222 476594.0625 2901117 2330590.25 5104368.5 1950500.375 959042.6875 4339097 1934374.375 811511.6875 841272.8125 1373059.75 855274.875 5495773.5 3082366.25 1947624.25 1509024.875 2666147 3865858.75 12772686 1914293.125 2909249 5540413.5 15527108 668610.9375 5831205 8081212 1789405.5 2430896.25 6472104 6041271 15511830 1559510.125 13706547 2171160 16609033 1726144.875 766875.0625 4064648 1964923.75 1700799 15777076 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1770307.875 11297784 11940656 1610923.375 2388110.25 16325893 9811257 819574.8125 2405784.5 4075751 4275199.5 3189494.75 2241819 1630450.125 6935648 5215235 3349677.25 8458244 550591.625 5194570 13028695 9360851 2194479.5 8499498 2621334.5 10710575 737073.5 2572167 5604412 1581021.5 546367.0625 12364934 3264904.25 1380345.375 1384528.5 3097105.5 8169856.5 1802308 10017359 919373.5 16190237 1064228.875 2244104.25 923824.3125 3766050.75 1363850.375 683326.4375 2147012 885474.6875 783970.875 2269690.25 12866102 4216238.5 5498635 7137071 972056.3125 9611967 2348998 728435.1875 3823854.5 1032513.688 9232920 768272.4375 1428457.875 2350127 1408777.5 13097434 6367675 N4-acetylcytidine 264114.3438 841435.75 489873.5938 441147.1563 443982.125 546692.125 200005.7656 520355.25 291858.875 1521132.375 361814.3125 465519.8125 444736.875 292163.625 103386.5703 448125.2813 318562.9063 438318.4375 468901.9375 494133.5625 576142.75 279036.2188 241215.8906 651329.9375 893945.25 266989.9688 223779.9531 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4702324 1894710.875 1987033.75 1278332.75 7386600 5209334.5 1426632 455805.3125 543243.6875 3123543.75 755332.4375 1248142 2554374.5 933908.625 2153476.25 4275244.5 3069363.75 1877769.75 7117345 5635035.5 186074.0781 2361844 2386305.25 5791828.5 2530695.75 1786797.375 966521.9375 1980155 1906635.75 2845058.5 3114719 505340.2188 2002875.75 4055887.5 3063689 1493524.75 5038501.5 1740986.375 2077232.875 246299.4688 988197 1980300 1570279.375 252251.2656 2051927.75 1240759.625 791650.6875 2223694.75 1579625.5 1418730.25 7783043.5 336934.9063 421325.5313 822771.5 1560830.5 407101.1563 2421293 1325493.625 2507358.75 304478.6563 738392.5625 1734438.375 2191559 2688300.5 1438400.125 2693281 657040.3125 7654268.5 2988162 432053.9688 1291726.625 2235210 3055277.5 1045650.563 3520609 968555.5625 582341.3125 2357372 3073421 cysteine-glutathione disulfide 232326.8438 617849.25 1137967.5 654298.3125 819297.6875 657565.0625 596735.875 500737.8125 3234352 550844.375 476034.4375 2317640.25 3599884.75 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136760.7344 1994262.125 1983073.625 7-methylguanine 3515088.5 3044810.75 2963030.25 3274285.25 2711517 4025321.75 2949358.5 3243611 3497139.75 7231406 3399269.5 3840982.75 3491770.25 2955643.25 2804408.25 4440054.5 3443074 3470349.25 3334212 5339657 3184158 4164495.5 5444914.5 4617395 4211700 3249371.25 4992701.5 2878867.5 3688874.25 3268569 4182519 2385953.25 4632782 3879344 5290661.5 3077274 3141415 5287898 3527558.75 3751376.25 3339970.75 3885082.5 3407455.75 4307876 4179816.25 4599492 8026755.5 3306426.5 3208844.25 3379450.25 12951059 23526612 4055156.25 6920840 14710750 7846173.5 3530452 4149584 2319740.25 12652129 8016424 4893892.5 10022934 5149692 8584973 3619071.5 12720135 4832708.5 12270205 5994720 13846724 3921004 5221422 5256772.5 3479611 10037688 3705056.75 7577320 6182853.5 7871908.5 10799512 6727040 14338913 8426512 8065793 7630411.5 3623671.25 9725886 4946225 3692817.75 8447401 2582181.5 12721809 7045230.5 13141980 12411137 24410060 5304311 8129326 2506940.5 6486687.5 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411499.625 214437 289442.75 278826.375 160392.1719 215264.7031 295413.625 200305.5313 N1-Methyl-2-pyridone-5-carboxamide 4317577.5 5737900 11059702 7495482.5 8912695 17320866 9181960 10402775 7638540.5 19415970 12732548 8230700 42698596 3980498.25 4350662 12725601 10717283 12129437 12004548 4730398 7560345 6540789 9543980 2920016.75 4834100 32118212 12726383 8379466.5 11311591 40386692 5696472.5 10830087 9700977 16049905 3186065.75 4805940 7673753 19888504 11293451 8634354 8026888.5 33696500 11378453 7449445 30332394 29193378 2320836.75 20525170 15394277 8865665 138134256 40194164 18974292 14771505 34802364 36770916 4326563.5 14823508 3172034 112946696 19812214 2568967.75 181496656 27163966 60836872 4691472 27086742 2548883 86637408 8215391 7714289.5 3538050 5567191.5 5682962 41091848 46807936 6881017 11606759 33140342 16831112 20836816 19384238 35876000 37524028 17153740 46963464 8343335 49232096 2805350.5 33248006 6049018.5 3300992.75 31564252 34578212 34501772 41810944 250749200 124181896 50388168 2263982.25 46269708 17449454 64348400 7388028 4495597.5 103943408 12628466 2377929.25 7375931 2514809 17648558 132575544 5380256.5 16555010 10161992 49275444 28394902 243943136 15790908 10922769 8548895 242420688 4514433 43809848 43809288 2847540.75 17310554 26097026 83291080 182838464 39727644 60727608 45562264 46963824 17959526 3279954 40129280 12589899 3253880.25 86567472 15610501 6599917.5 33546206 36042164 16489157 2203693.5 1554699.75 18988498 80130792 33308116 19847560 60874540 931023.5 280029376 86005064 9681346 11266530 13039551 2754331.75 3686866 3854993.5 7615801 26177450 18683410 132624456 29388402 155541168 27235758 3516593.75 20462752 3463512.5 14511157 94154808 11458423 5717734 3559968.25 19572172 9687436 2711104.25 10534324 39066740 143336848 1910998.5 61180260 39177560 1155295.125 125749976 15830204 12220906 76223288 15414358 4575140.5 6554103.5 5104687.5 38741600 326139264 5842165.5 28625166 35462452 617412.5 137553696 989671.3125 83277152 19143754 4954677.5 4554410.5 12680559 14661567 132366344 34648780 76930200 6936445.5 10777525 47746068 15647442 32502714 23339686 122481904 27563706 43344288 40003492 5833309.5 214275424 54431108 26426588 1077263.125 1504142.625 7045803.5 105932920 15371354 34304352 37227308 7506609.5 18841872 71348192 8366724.5 9157299 31500718 78848152 4238712 62567168 96064016 187406192 10847319 5029732.5 3188242 7646932 95545776 47625444 80093168 2916454.25 8231805 96499904 135456016 7846576.5 47281964 44369392 163157520 1433918.875 24783690 24494686 3025839.5 1488631.375 18884132 20924562 15830204 3784863.25 29998584 4574558 5922831.5 151399552 3671919.25 486448512 1361322 2341901.75 28575096 24598924 978675.125 2681137.25 18197362 15152014 2709093.75 19372674 183983040 6689196 3276649.5 18929300 1283663.375 44335980 6497888.5 2442011.75 27990494 3671479.25 54491332 468361.5625 16959106 3336687.5 17003324 57483696 83632288 N1-Methyl-4-pyridone-3-carboxamide 2878618.25 4262211 7734015.5 5003025.5 5434699 9551434 6066156.5 7329051.5 4620648.5 14764448 7373426.5 5016255 30024604 2246237.25 3503802.75 8073108.5 7263087.5 7574655.5 8276431.5 2931493 4237571.5 3871538.25 6782007.5 1883166.25 3804172.75 25604376 9331463 5989669 8193771 28652028 4165121.75 7804486 6096598 10359752 2633663.25 3790048.25 6612055.5 14594680 9713295 5944126.5 4493524 21030616 6767247 6058029 17227838 17411782 1652951.75 14642077 9589114 6637980 82001512 24699664 14242490 9370901 18977894 22785504 2676660.5 10427814 1857574.5 63469668 9639265 1742296 93757512 14967303 34254208 3268906.75 16911490 2075026 67202232 4264997.5 3311637.25 2496665.75 3684863 4097956.75 19664266 26847106 5194488 7236364 23329492 11035383 12409944 7768113 23091944 27302776 13943975 27410292 4453511 30718796 1680417.875 18798004 3940647.5 2359501 16467577 24014722 16108279 23854866 119161928 60346552 30346878 2006808.875 26494492 11204584 40549344 4266686.5 2559795.5 76018280 8745432 1399411.625 4750104.5 1513255.875 13189843 77003136 3183717.25 10390924 7842195 25382326 19368558 130159264 10850874 6745952 5285159.5 126615560 3052783.75 20988188 28490274 1418622.375 11711480 19660878 61457300 87727336 24573370 28340438 29399358 27450366 12894322 2124037.5 27236684 10270406 2514831 57043480 12748598 3297725.75 16221404 25739912 10422097 1396448.375 940424.1875 12759266 53015444 23091206 11868723 41245636 297914.9063 198704736 44108852 8265075 7277275 6596725 2063989.75 2715255.25 3216140.75 5865115 15185813 10338192 97313728 18645354 116521256 18966788 2488597.25 15624530 2177692 8642572 39652216 8508822 3452872.25 3069885.25 11275244 5460662 1316165 7642743.5 26386160 113355136 1742913.875 39405800 26967874 890878.8125 90788568 10282083 6199169.5 47109120 10476243 3088933.5 3428977.75 3310140.75 28191092 163642480 4276544.5 18854888 27526526 376163.8438 86061312 543759.5 61397788 13151995 3070883.25 2460980.25 7342064 8908707 82418944 18943976 48709988 4986683.5 6721062.5 36399076 11609034 22035416 16788558 72027136 24910014 26087418 31596822 3834548.5 138782768 34950136 17420356 793932.3125 1722131.375 4511443.5 87839864 11839175 24504710 13546812 5131928 9032732 47993136 5275110.5 5220458 23985550 47504520 3032199.25 45814392 70221896 118504648 10390924 3950212.25 2310804 3442303.25 31386600 29944968 46700836 1583819 6370297.5 54987152 86527840 5797342 26175496 31451694 93326048 969728.625 24427260 14521921 1834793.75 1068513.375 9711170 11591497 10624606 2770112.75 21347402 2210042.75 4295237 109654328 1670093.875 243018560 427220.0625 1266744.125 21024924 16654521 492617 1516430 12729103 10887523 1201193.625 14523055 80317608 4428165.5 2134720 11300338 858776.9375 21991042 4814562 1794588.375 17636924 865016.5 34244260 241472.0938 12462318 2500359 11918802 40991056 52863452 gamma-glutamylisoleucine* 1250864.625 763538.625 638481.875 931663.9375 398340.2188 1126476.75 687041.25 707529.75 727095.6875 1439480.25 964041.6875 649248.875 744884.25 542797.9375 657315.8125 867962.875 444426.8438 944868.8125 395027.3125 898024.5625 335299.75 1015799.5 835580.5625 720698.5 734967.9375 492689.3125 809770.6875 431899.875 632704 715557.8125 395976.8125 292669.9375 533160.9375 622860.125 754529.6875 423657.25 804238.75 1180372.125 416893.875 516661 350642.9688 1159741.375 360108.5625 594414.4375 1122517.375 678156.875 1018182.375 310089.5625 1072720.25 786262.8125 2045261 3084502.75 2225623.75 1232197.375 1280952 1475675.875 749445.9375 957026.5 745307.5 1497965.5 2653138 658956.6875 1975447.25 616008.9375 1373661 907284.4375 1853853.625 290360.2188 1780031.5 269548.2813 1797738.625 788325.8125 683377.4375 572057.0625 3066088.5 2276320.5 489940.7813 624226.125 332794.9063 760261.375 1097706 3790513.5 1930905.375 860245 326323.9375 803861.4375 581992.125 1104781.5 774813.0625 739744.4375 593456.25 747210.375 1422041.75 2589723.75 1130148.75 832422.5 1716390.125 2506118.5 1764898.125 319305.0625 427614 638567.125 2393816 1276895.125 461454 1147136.5 1250585.125 348760.25 473614.5 709285.125 1477748.25 1844254 1361102 913705.9375 357968.7813 787952 981759.75 693902.5 844751.5 1315425 2437531.5 1140763.625 300284.2813 4302104.5 1327830 795791.75 652578.1875 589853.875 1173662.75 3669272.5 706173.8125 3510158.75 755478.3125 1562465.625 920808 582997 924052.4375 1282303.125 255851.4688 622070.3125 719816.4375 881541.0625 3789308 974000.125 453867.0625 383078.0313 1290852 631562.75 1197043.875 967679.3125 1111362.5 734241.625 450298.9063 525471.4375 2001681.125 940972.125 1905550.5 1069616.5 594002.5625 820266.125 374214.5625 681916.125 872647.9375 1254266.125 1604752.625 841829.625 908253.375 1483141 520422 1345990.625 2014238.625 529294.6875 2137322.25 799653.3125 970026.375 941500.6875 1552408.75 1084458.625 1206957.375 948280.5 360254.4688 1522421.125 547673.1875 2034430.375 3497113.5 930226.75 722504.5625 1417210.75 774629.25 928307.9375 1302822.75 2247631.25 298202.9688 1106303.75 482859.8125 2391331 356250.9688 1258930.375 1882314.125 193801 1462580.375 500822.375 749714.8125 3268206.75 614998.5625 426171.0625 1335517.375 1065283.375 774513.375 1953687.75 549895.1875 1070934 626258.3125 1162579.5 1599522.25 721869.4375 506927.0313 2131757.5 993065 1247831.125 862391.25 807634.75 2912763 873618 1430735.625 455065.5 532838.125 929753.6875 290609.4063 540971.0625 576454.6875 1314974.625 833618.6875 1916491.625 860245 342459.9063 1406096.75 2387410.25 1134940 708961.4375 1240577.5 1253096.25 840601.3125 682178.5625 653051.5 263588.0625 938637.375 1596526.25 1882188.375 1607312.5 413623.9375 674443.9375 2190793 938333.125 1124887.25 4815915.5 433368.9375 2295187 578818.3125 699096.0625 1239422.625 691816.5 662637.1875 841559.5 595295.9375 684182.75 777761.375 1112019.375 1553461.25 639892.5 1406473.75 1282822.5 1672606.75 403582.0625 406485.3438 387312.875 1462947.875 645086.0625 1049801.625 716754.8125 962356.9375 654118.375 548441.625 2337751.25 989576.5625 1350873 1718595.25 357551 1067274.125 728470.875 518557.6563 1586607.75 697723.9375 1821667.125 858098.8125 707618.4375 680662.25 1319419.625 3233643 330493.4063 gamma-glutamyl-2-aminobutyrate 310625.7813 251683.75 390212.0938 177349.7813 77098.1484 282444.1875 196370.3594 150789.4375 280649.6875 288797.3125 200092.0781 151513.875 193496.9063 180926.6094 312692.2188 250778.0156 192637.3125 293347.875 173480.7344 148428.3594 241424.3438 284802.8125 251628.375 332731.4375 209270.6875 545549.9375 169727.8281 157472.5781 210977.6094 251278.9531 137359.6406 249559.8438 123928.2891 232532.0469 288350.3125 108846.0234 274189.6875 410340.3438 132710.0469 254372.6563 171673.9844 233240.75 92243.8906 134942.3281 210772.0781 188439.125 310996.8438 332593.5 129887.9063 986041.375 683815.75 201039.0938 409982.1875 476674.4063 298813.9063 84457.4063 689480.9375 504530.625 812203.625 3588842.75 1027023.938 360548.4375 126983.5625 628758.125 871642.6875 567749.625 82237.1641 506582.5 1650485.25 791678.375 195594.9375 774785.75 1245855.75 1983113.5 158932.2188 452310.875 389045.7188 426088.0625 4013117.75 254375.0781 162114.0469 23378.502 340140.5 472162.7188 337270.2813 153376.3594 835150.6875 313691.0625 374876.8125 544351.75 188170.9219 452255 769895.25 850198.6875 217974.625 66622.6172 109998.6797 596936.5625 710379.3125 434738.3438 400172.8438 136028.0313 354867.125 218928.1094 76051.5625 526662.625 518266.5313 161153.2656 622447.875 362640.7813 148478.5469 730838.25 293006.3125 223124.9688 265243.1563 1351601.75 1421487 429589.5938 131208.7344 2301431.25 227936.9688 693017.25 118559.1172 188998.1563 517285.5 582923.875 445005.9375 501683.7188 897956.0625 197560.8594 181903.9531 754098.625 161368.5469 913800.375 697195.5625 2111039.75 223729.5938 165981.625 142398.8281 1241809.25 273557.8125 494908.4063 215834.1719 480521.3438 299403.9063 765349.4375 160101.1406 515011.625 965162.6875 300776 254495.5469 152093.7031 76465.6641 252310.1563 838316.0625 941275.625 322759 380177.0313 128193.1563 142352.5625 2041905.875 333458.2813 641405.3125 391545.9688 347933.0313 339253.5625 1625349 1163653.75 546397.25 320696.5625 184797.9219 370194.8125 4397778 420317.6875 110450.6797 420740.6875 237377.6563 322759 311902.6563 1322825.875 129584.75 249699.8594 864219.375 603037.3125 335984.5938 273611.375 247700.75 1225554.5 196933.8594 369667.9375 466604.9063 1415883.25 48907.9063 729534.25 280032.4063 272706.2813 179968.8125 440093.0313 241744.7813 500437.0313 985448.5 234862.3125 256954.3281 624191.25 918088.375 242525.2031 618780.6875 461467.8125 236026.3125 371693.3438 239409.7031 175432.25 568901.375 902386 718523.375 1347325.375 2852167.5 241149.4531 448427.5938 190220.6094 171480.6719 82796.0156 460582.5 129305.9453 1397599.5 503065.5938 104947.0859 127669.9531 664291.6875 962478.0625 62552.1953 868391.6875 566785.375 326444.3438 136179.8906 477677.2813 287443.2813 422960.4375 1042589 484933.5313 953542.25 241051.2031 304817.375 584652 302946 322759 284075.6875 780554.6875 1295796.375 890778.6875 442517 229015.1875 234628.25 473628.75 315955.875 556425.0625 775241.5 423956.8438 278743.5 93819.1563 204766.4844 188460.7031 327274.75 725786.6875 145968.5313 734188.4375 488688.6563 266149.7188 61483.6094 727543.0625 321848.3125 570194.3125 223814.8125 829810.625 1009116.438 514031.5313 214824.875 2-methylbutyrylcarnitine (C5) 1220086.625 972195.25 1211740 934937.5625 921246.5625 1694086 659979.25 1325643.75 933855.6875 4412406.5 1607409.25 1552223.125 1292399.875 663738.0625 1224658.25 1435908.125 729290.5625 1491133 1016880.813 1078242.25 849735.1875 2115948.75 1894987.75 1273150.75 1925562.875 915289.6875 1412931.125 800501.3125 891300.75 828483.875 1019465.813 663445.625 1913781 1505468.875 1051878.375 529880.6875 1509781.25 2213112.25 1349813.375 1192450.5 985767.1875 1937566.75 513480.9375 1166189.75 1659551.375 1527727.5 1422365 650360.9375 847768.25 1039779.813 8457384 6488432 1757959.25 4323088 13907582 2623460.5 845834.5625 1934361.5 649552.5 6904949 3990652.25 5869044.5 73536984 1383389.625 11644202 797902.5625 5026326 1224303.875 7548994.5 1989732.125 13079397 1653202.25 3091804 1237914.125 12245193 8690924 2492814.5 3101855.75 7920583.5 3523374.75 5770734 14134741 14501401 6934148.5 786888.9375 6697167.5 1194131.125 11893332 8067750 1073070 1540116 979943.9375 32216054 7134560.5 4248253.5 7470290 15351892 8464687 12256482 1397114.5 2047493.75 16373236 6132881 2009087 1647902.625 2963155.5 3068391.5 1735341.5 830837.25 1316389.875 1331135.375 7069618.5 9258605 2431043 883708.9375 2788086 3660621.75 28884126 6768039.5 9444417 9561993 17620440 1194872.125 11344820 6932668.5 5240464 4215201 4097152.75 2629502 30017288 15040347 5241768 2139602.5 11555866 3942534.75 995086.25 7205213 3133211.25 1556100 16885468 898828.75 1995386.25 34654732 15137224 647762.9375 751024.125 1329592.75 1320867 14577538 3066571.5 2831544.25 6682932 762181.0625 1581781.375 16044243 2663340 7118895 3430946.25 3186024.75 1924705.625 373986.25 1112968.375 4279746 2278329 22230698 4566968.5 4510805.5 4227982 5266236.5 3784129.5 1263962.5 919192.875 4801602.5 2516355.75 1798572.375 967443.8125 2771276.75 3412271.75 1374868.875 2015253.5 10129525 5691801 4893163 12027822 19711748 1078269 7637437 3312121 21628792 6420034.5 5264153.5 15053282 2262489.5 11178920 1810333 3665036.75 614483.125 7072375.5 14384684 323790.9688 15194177 648030.875 23185988 5624193.5 1071195.875 4773150 3020431.75 6003811.5 5792235.5 6756706.5 25153780 963233.875 1603543 4577334.5 7237698 3813075.5 2027227.5 10355657 8200366.5 6826440.5 2129537.25 6678672 24350302 15013934 2657804.75 959240 654096.3125 4802460.5 798346.4375 2044829.75 7944733 7471307.5 1329732.875 10331039 4329203.5 3229655.5 2543216.5 14135942 2164537.75 1006379.938 5115635 3228648.25 6563679 1373827 1200423.25 1066129.125 3619135.5 6574406 982649.625 4041217 830537.3125 2617184.5 6134568.5 3167153.5 6028928.5 104625360 28179676 3134846.5 1750870.625 954870.5625 29064794 1395994.875 1183466.75 23097516 2576299 1751515.375 4279232.5 6438120.5 3424209 1167988.5 4614092.5 4871662 6281364.5 997373.75 497499.5313 374236.8438 2623460.5 2423598.5 3211454 2524824.5 1130361.125 497454.0313 1228689 2523722.5 959049.9375 5305627.5 5269417 1677435.75 2581733.25 2187279.5 710567 2783332.75 2189305.75 2207532.75 703545.6875 1556278 2629736.5 1424231.625 5608895.5 3126640 malonylcarnitine 64332.0039 44693.1953 35587.7383 52780.0352 71236.6875 100327.1875 35967.7813 89391.875 49197.9609 86721.5391 65199.8828 58054.9258 70350.5391 140682.7969 46272.7422 78891.4063 109278.6797 68108.7109 125944.4141 80313.7109 53652.2188 52038.6016 60267.2109 62018.7578 102676.6797 57281.1367 80356.2813 163494.0469 29097.0859 65718.0547 463477.4375 475235.875 179219.5156 151138.5 333011.9375 329421.625 42952.8672 64508.3203 53548.3359 632677.9375 276595.9063 66587.5859 557049.8125 58623.1641 428019.4375 294286.0938 71108.7969 186603.8125 144086.7344 54531.3281 132367.5781 278013.75 150235.9063 110528.0078 253993.5156 276250.5625 298484.8125 566609.25 286080.5 79433.1563 400138.5 54512.1406 96611.7422 1149864.5 371250.8125 410396.875 156847.3281 473466.3125 521851.1875 73020.875 160419.375 102069.3516 664649.8125 130318.4609 69007.6016 311636.4063 100376.5234 27015.8047 75203.3672 106974.2578 88529.4766 502979.7813 164828.2031 116246.8906 87569.3203 433668.875 192309.9219 743811.625 108350.9922 61020.3438 1157255.25 43770.5 341114.25 90049.6406 124901.0547 140813.4375 269482.9375 894772 402661.75 61989.957 628796.1875 139263.7969 80880.1094 1590425.25 157099.1406 305703.5 199444.125 47565.957 67309.4766 534286.9375 103392.7734 128807.7734 285145.5938 204202.6563 778594 113319.2188 104018.7188 172677.5781 142057.8438 103342.9531 78334.0547 72852.0938 77987.4688 444792.4063 79845.875 171572.9531 101200.8438 22416.2773 71688.9922 220375.6563 96716.2969 43297.9961 152389.3125 74556.6797 149887.6875 204357.5469 66792.9063 3908199.5 183144.4219 217572.9531 151138.5 607535.375 350905.3438 185924.3906 219528.7813 182822.7813 126623.4375 696784.6875 105695.1484 285582.0313 681460.6875 79462.5078 702327.25 112208.0938 83719.0234 555653.9375 446342.0313 232056.5156 63508.2734 821324.6875 346533.9375 81547.2109 1388939.75 106438.0703 136859.75 176123.5625 1266329.625 327166.7813 76920.7891 20671.1289 132928.5 285462 210554.6406 98189.4531 211590.625 349896.6875 351376.1563 55934.0234 109913.2969 459508.2813 236504.25 285794.2813 187734.7813 141181.7344 289817.0938 121283.4531 90907.2734 317736.3438 173983.8906 344637.875 527443.125 576501.9375 573093.875 382696.8438 85515.1953 834766.25 165252.7813 69175.4297 111908.1172 1251964.375 46698.5078 1127741.75 268908.3125 47718.9102 351571.7813 668617.4375 163861.1563 338024.5625 535324.25 77537.7734 45402.7031 368956.0313 68627.5625 120203.5234 70109.3594 170710.6094 511286.7813 202025.6406 618480.3125 362062.2188 796046.3125 175617.3438 47792.9063 244504.375 1013896.125 61759.2891 218485.8906 33553.4844 925326.9375 377145.5625 glutamine_degradant* 56410396 34911292 58103792 26445394 35776960 68316952 17210700 47511992 61441524 146974352 100226344 19681410 145327376 41244248 56071564 38551208 74635640 20279524 41743860 253256752 44362920 193314880 60254896 109535608 172240080 52481412 122149880 67164952 224256128 52640984 76667480 25649792 108914184 166809984 116536576 59447820 44452068 50225776 72485912 90303416 26289920 28611082 46396856 161530592 258674928 109224896 69387472 24091420 39318472 56767172 975856064 243983968 225080160 208938112 209881696 261662688 169774352 355896224 59664684 667357952 541864192 28966802 190288208 158819424 311096448 7606965.5 79312808 343942432 121267472 135337056 62236460 70260248 48507232 12636749 342568864 100817792 77823080 55110332 40723844 131262352 86482168 59172268 43980588 29965708 31955830 20284954 108872368 34040332 4914785 22173868 17669008 8400036 32582304 116957776 253751360 422843840 180782928 857073472 523750272 79314232 15442606 102448872 327393088 81185696 21382478 174500624 60237396 125422240 49039792 38828972 114677320 203449840 131847328 44424164 124250744 37798084 88520720 652012224 268080048 33532250 346596256 237265168 170360096 271706016 115791296 77422832 175665840 469260192 234465232 532842976 81134040 138110352 80502200 55143404 13714708 4296702 55228948 74015568 46652364 741588416 112278024 11872105 424380768 241858528 91930752 142954368 125660472 73312624 376008800 56605320 170637936 27445532 12125233 74777232 640504256 224232064 14964298 14250101 101208832 100478392 12610095 91303136 119679688 39346968 1306519808 103422784 297050528 22400312 719204160 42905688 8483546 93772832 386905408 331407168 111215760 93514040 61532080 39631448 68610056 209590512 7506239 441937408 147977856 251124784 113501352 136603616 640521728 117870576 547716224 327740288 145655504 310447872 60222388 231909424 40943700 208317536 45405732 337674816 551783424 13274233 241408880 13892695 12782757 300402432 340450592 91839616 58050216 8443738 512656480 35734800 9912050 36135500 9075879 532966528 305106016 132459504 41576136 240544128 229841920 476874880 196600288 99755072 593672576 240085616 202239200 56955268 236018752 56212364 131639248 367080544 168969312 1404180096 217047808 354198880 907317568 109846264 402669344 336980096 683266240 49462392 236350912 530594432 92995032 39274636 62216940 95339408 470970528 298019104 143124528 162889648 31474936 499495232 205155920 135875472 57181552 227963904 52622500 135706192 11833229 111569768 325249504 332920320 81932456 28439708 158891200 26663518 124581720 287729216 99761664 60057484 96697624 22704678 149929312 8172190 142644720 70839304 136734192 18746158 128053968 43575796 95770392 120248464 129228832 109224896 61813868 373886752 307539552 64789960 522567872 525622272 134357536 177505008 337716416 190318640 495565440 21967698 177679584 42788388 141060416 508664832 homostachydrine* 1409632.25 1130454.25 284324.1875 1723620 466687.7813 938283 1139553.25 361104.0313 509556.0938 4429149.5 1954250.75 4299659 2280055.25 2934855.25 240499.8594 2697330.25 1238700 869297.25 805205.625 7681979 5670198 102793552 337120.8438 1168648.875 5426477.5 4063749.25 2022129.125 937512.875 4507575.5 780876.1875 710166.375 2088155.375 1402506.625 3988799.75 1051308.25 855104.3125 1912088.875 1827877.25 2611580.25 1816146.375 875343.5625 783734.4375 1358354.25 764674.4375 2951030.5 1066505.375 5166514.5 25687460 804684.0625 393535.625 6197977.5 1225638.25 354626.875 635917.8125 463953.1563 281620.6875 1367448.75 326048.9688 200138.6406 6555480.5 399261.25 233017.0625 3286095.5 2208461.5 8253712.5 183335.1719 1470636.625 1407001.5 218432.4375 2404299.75 3543236.5 124736.4766 3275274 49953.1367 354208.1563 107623.9844 334551.5313 206508.2969 182547.3906 113740.1953 879380.5 1812448.5 156370.625 446633.875 282410.6875 191417.4844 431877.3438 1177982.5 114036.6328 459073.0938 214625.4375 575636.0625 172955.4688 340804.0938 2022561.5 11032189 489577.8125 393262.8438 1308627.75 673863.0625 144597.6875 231920.25 212769.0156 84955.5391 1774730 280177.0313 224391.5313 190485.9531 650757.3125 2012720.5 713482.4375 430344.75 5767605.5 468801.375 421728.0938 1398297.375 47510.5078 186664.8906 322956.4375 2849858.75 519744.5938 249720.4844 528473.125 243786.5781 641651.5625 292150.0938 2692368.75 2658641.75 927361.625 141530.3125 727041.4375 784499.5625 123547.375 773113.9375 570748.125 254601.9219 154636.2969 223930.0313 325878.8438 207382.7188 2390250 360225.5313 1863723.75 553244.625 1726769.875 1023659.375 1058608.5 345709.6563 752160.6875 130514.2734 1615395 543670.625 451961.4688 368771.4688 663263.375 329470.0313 428567.3438 113775.0781 72369.2813 3874078 561035.625 209612.8594 638268.75 1019581.5 194800.7188 97080.8984 415114.875 6330198.5 1693252.875 2012056.625 674890.25 634072.9375 218261.3125 110758.4844 266462.4688 182514.5781 683815.6875 245272.3594 249556.0625 2511628.5 5595177.5 1522535.625 215082.4688 1064726.5 1336038.625 249289.125 303747.5313 457829.5625 120783.7734 494186.2813 1056828 97619.0469 402476.0625 477183.375 282631.375 3617882 130362.0469 511658.75 617308.0625 151367.7813 109930.9531 130559.4609 745684.6875 178740.2188 826234.5 72256.7266 626376.875 3779159 543495 154035.9688 656690 2141207.5 370279.7813 85282.0547 175050.2813 126639 2001962.75 925321.0625 70734.4922 9254869 111400.5781 3315019.25 316322.9688 3127686 879822.9375 299072.5625 1164621.375 1479854.375 374543.7188 471864.1563 318603.25 1245120.625 2325292.5 614104.9375 1702928.75 638791.125 146500.9219 131472.2969 126990.5625 229896.7344 447633.8438 1284706.125 1968931.875 686019.125 69106.6016 1493652.875 1112448.375 3954814.25 1577633 432876.7813 2482005.25 675800.375 2033984.375 19862118 427554.3438 1005241.5 1131235.375 496795.3125 52816.7109 395402.375 984778.25 1361002.625 167583.8438 171637.0625 271297.1563 407139.9063 276920 248018.1875 1043020.375 2446589.25 867813.3125 1088103.875 993665.375 1013435.438 909968.25 855448.5 301091.3125 629250.1875 5387238.5 10356556 256877.1875 488839.6563 185256.0781 620752.125 2877506 260343.25 2255671.75 375195.9375 408821.2188 149616.1406 229113.1094 632584 1171455.25 N-acetylcitrulline 503199.6563 523215.5938 204241.4375 402137.7188 548530.4375 334201.7813 77030.6016 119228.1719 286203.9688 504737.9688 211997.0469 385990.75 232050.0469 306009.5313 340275.4375 226564.8594 418309.6563 149826.1719 394071.6563 344092.5313 276711.875 173224.0313 408935.0938 792018.3125 164703.8125 241701.1719 168456.7656 56707.2305 185482.5625 187488.7344 855528.25 361913.1875 259600.7813 633238.5625 183557.2969 338809.9688 591064.625 451394 1585299.875 451394 1309955 608466.0625 700994 233390.9688 892048.4375 801580.5625 187712.7031 191034.0156 2621392.75 359165.4063 680416.5 526596.25 522719.7813 1640870.625 165725.6719 1681782.875 458472.1563 698658.6875 537923.375 113395.4844 123133.3125 176954.5625 106278.3828 477775.5 246202.7031 318652.5938 206466.4531 3998842.25 1793028.375 1021983.75 65312.4023 601918.875 932817 410407.6563 1163985.75 733152.5625 1388004 368312.9375 116680.6563 58257.3945 273859.3125 487455.875 643667.9375 59309.2031 9208985 359986.2813 67547.3047 5556364 120029.3281 640277.9375 120414.5313 187264.6719 1306450 134769.7188 3201325 352821.875 341142.625 109552.0547 197582.5313 463977.4063 4302835.5 468642.0938 123363.4766 196986.1875 78948.3828 1005265.875 3429399 494091.5938 363636.7188 110668.8906 591281.75 235089.7656 618104.8125 373441.8125 668704.75 3639469.5 574511.875 1912751.375 2823965.75 176851.1719 1511749.875 1044845.188 130487.6406 160690.6719 4628372 400356.625 2807821.5 180540.375 457533.1563 1956003.875 1158272.125 77489.3203 291803.125 762113.0625 191144.2969 1026208.625 3218418.75 1264659.625 1551326.25 219209.25 253013.4844 2362939 1984235.25 195420.375 409174.6563 300004.8125 414006.1875 696256.9375 1679160.25 237907.75 2739325.25 47318.5469 540572.375 11015879 4924137 191780.2969 970378.4375 1298388.25 3979989.25 2187131.75 177564.8906 12747508 308228.0625 1310888.125 1211460.875 254614.625 1079951.25 508321.9063 107378.8594 63705.4961 299086.125 860166.9375 361269.9688 1006340 1800349.375 637740.75 532928.4375 516115.1563 63683.2539 451394 914746.1875 751706.1875 2332358.5 337331.5 176129.8906 3723256.75 660802.4375 glutarylcarnitine (C5-DC) 1360436.75 1280909.625 1737077.375 875528.125 1627529.625 2444329.5 1046856.813 1251890.75 2089025.625 3215110.5 1744043.875 1592274.75 3434694.5 541035.1875 1447182.125 2326126.75 1680420.25 1167600.5 1179276.75 1154360.5 2245094.25 1511120 1790010.375 2214160.75 3115668.25 1450092.125 993394 2213718 2582858.75 789456.8125 1520338.875 1508318 2663946.75 2575744 2324455 932053.3125 1098040.75 2080146.5 834676.25 749347 1489362.5 1071242.5 1000006.375 2105968.25 2497308 5679301.5 1605095.5 958434.75 1252944.5 1043703.75 14090424 5178757.5 1038298.563 3137926.75 7762378 8354012.5 2182965.25 2044870 607182.375 14789962 3561373.75 1862884.875 5392025.5 832446.3125 12090310 579511.0625 5323139 1188258.125 1605599.125 1206903.75 4033706.5 1104954.625 1768326 426149.4688 7685975.5 2623095.75 728751.3125 1313443.25 2041430.25 5788797.5 4114684 2455842.75 7736319 3581557.75 183216.8281 1578273.375 900982.5625 5051916 1528633 857425.75 1096916.5 538131.375 6392345 4421970 4432073 2574362 6829457 4879803 11164271 469788.2188 2051942.375 815188.5625 4295134 1348441.875 1602828.25 3846983.75 1775800.5 1224452.375 1446112.625 1031746.875 1803723.625 2497308 2764029 1525683.375 1446133 1884667.25 2816229 7481134.5 3088868.75 2347350.75 16461177 6758851.5 894921.5625 5042385.5 2839411.5 3327748.5 1257986.25 3823412 3289982.75 8565133 1681325 23247752 4869452 4300711 737960.9375 538546 2439985.5 911539.5625 2022767.625 9212999 1598615.125 1297384.75 13464315 5110801 801100.5 1703508.25 1255612.625 1663988.625 5381634.5 1656969.75 3078828 2769645.75 216599.125 2593079.75 12376774 3199295 2632517.5 976172.75 3980541.25 1187028.5 1183961.75 1221822.125 5808437 928784.875 12528259 1634999.875 6542989 2084867.25 3496185.25 2159809.5 1175833 2040493.75 7316020.5 1900994.625 2588819 2451552.75 5402084.5 1827603.625 926803.875 3039861.25 1242925.625 9131051 14544787 7953007.5 6125235 2711158 9710087 1760059.625 8169192.5 8743958 1819453.125 7605719.5 877964.875 2543063.25 5707385 7541582.5 2036507.875 7717072 10477486 1024544 19223424 401311.1875 2912362.25 2338148.25 802259.375 1616123.5 670130.9375 630172.6875 11728722 3395216 3897642.5 1315113.125 1115923.5 6982186 4780404.5 644543.5 1220484.375 10429430 3358629.75 2003935.5 4721688 648913.1875 12502811 6424972.5 2913126.5 2440550.25 1636223.875 3918260.25 2610832.5 5369197.5 5902989 6943834 1439210.625 17375120 13858265 5584128 2806031 9846944 8154519 2955074.25 4466099 4480016.5 1878461.75 3344327.75 3846355.75 1173798.625 4824320 13203681 3579770.5 10241535 514550.4375 5448583 39752576 9376230 1675485 7399699 5628533 16196581 634433.875 1089027.75 17697450 1521835.375 1062742.375 13654475 3560281 1090473.75 3356843.25 2881378.75 6711632 1374753 2343441.25 1724165.875 13246244 3530582.75 985185.8125 694380.875 2589389 3012684 3427919 4717144 3390312.5 745474.625 8988318 5155797 6890036.5 9948800 7957649 2221708.75 8174181.5 5623171.5 2552085 5340568 3045744.25 7647340 968096.3125 3276037.5 4252555 821771.1875 12968121 12246655 beta-hydroxyisovaleroylcarnitine 1062227.25 1257253.5 1738457 790870.8125 1455263.25 2732266 1353007 1481666 1956511.125 3668721.25 1105694.875 2263145.25 1297674.25 990505.6875 1195308.625 1565414.875 2081591.875 2526655.25 1526566.25 1138544.125 1900380.375 1852755.375 2381059 2277468 1209103 732865.6875 832751.875 946019.9375 1462838.25 1418627 1709560.75 2143448.75 1337502.875 1891198.625 1558538.5 489095.6875 1608115.375 2261748.75 2045851 1299182.25 1249123.625 1891861.125 1538842.5 1167090.25 2335574.25 1635468.375 1596459.5 961315.1875 1715753.125 895400.6875 10976834 6766348 1486363.375 3177014.25 18161734 2311927.25 1161307.5 2081371.625 1390402.75 3416701.75 7654476.5 7733993 43710188 1940652.625 11624040 2034479.25 12039733 1480885.375 7124798 1161685.25 15564272 1505583 2042416.875 3291456 9751074 5806289.5 2569746.75 2718457.5 7181017 6130114 12598881 15855263 10013016 8558781 1270180.75 5546493 2283135.75 14287443 5188195 1094827.5 2386878.5 1041770.813 27213052 6509718.5 3165616.5 4855611.5 15237623 3533534 8606052 944411.875 2672155.75 4069391.5 10093669 3104305.75 2426716.75 2637211.5 2865080.5 1945094.75 1398011.75 2139931 2699310.5 6596674.5 2933930.5 5046039 1326136.875 2686243 3277623.25 162289568 5675643 3669069.5 28675084 104591992 2917890 8091577.5 22508636 10362531 22435632 3668616 3924457 30136136 6724272 3428613.5 2442604.75 21274232 2590761.25 5104258.5 11057351 8342656.5 1960258.75 30902442 2674934.75 2702599.25 27126020 5677328 1038922.125 1958274.5 1929989.375 1844596.125 11182227 4292749 1793485.25 4027204 985274.875 2909311.25 8799760 2198598.25 4050243.5 3701906.25 5621456 1582275.375 2361946 3119733.75 4118340 2302653 5009972 3838045.5 8606475 3338019 3152416 2459595.25 1805101.125 1010311.25 16553443 1219179.125 1782023.875 2734315.75 2698985 2196452.75 1695317.125 5366675 3781806.25 8743555 2126465.5 10081239 21389104 741730.125 12592683 4546844 6052645.5 4649529 4426366 8844684 2328295.5 4375729.5 2944586 3080195.25 859701.8125 9420690 4437106 2856343 7078779.5 621322.5 16875444 5672962.5 1212255.625 2911449.75 2416153.75 2665902.25 7197427 10086026 7699835 1341027 2995898.75 12567286 6384860.5 2595543.75 3130526.5 6072036.5 9840975 10865453 1865486.625 3360228.75 29036834 11803797 2842258.25 1596687.125 869539.6875 4743523 921938.0625 1285686 5089382.5 9032585 1643637.125 7594206 3539464.5 3298832.75 2604490.5 15323132 3620536.5 1094578.75 8267807 5447742.5 3081460.75 2027150.25 1440376.375 1678793 3326418 6238625 1917429.125 3367502.25 885885.125 9546931 12715232 2477827 3029163.25 29463498 6987015.5 2555752.75 1096643.125 700137.625 23046336 2076478.5 1074166 43422528 3689447.5 1001959.563 2208899.25 8759406 9466692 2321296.5 9351076 1733877 10593248 6401935.5 612700.3125 1320295.75 2408609.75 2718457.5 1671911.625 4118470.5 1358067.5 749994.0625 1023295.25 1566598.625 2047640.5 3884859 2663602 1026292.563 3992142 1760327.125 991032.6875 2260452.25 2228333.25 1501216.375 1566717.125 7566770.5 6278740.5 1535131 7772694 2974567.25 2-methylmalonylcarnitine (C4-DC) 51848.1602 400094.5313 269449.5938 144485 158179.1563 169865.7969 213724.0469 292854.875 137003.625 170296.9531 383545 120279.9688 185991.625 122490.9531 331691.9063 103578.5625 131580.3906 2977124.75 776539.75 378298.6875 484080.2188 1808927 1666079.875 151695.75 46193.6719 4970266 627701.5625 1217148.25 2969574.5 517806.0938 378938.75 120630.4766 707034.8125 292799.6563 2464935 599364.3125 78246.6875 431908.3125 1766422.375 2289357.5 724120.375 724298.25 1196194.25 1655712.375 55862.543 2322379 925901.4375 249955.0469 251767.625 2073816.125 2090001.625 112010.0313 459481.3125 700032 108360.3438 248394 227577.0313 432859.2188 466461 202082.4063 3604808.75 4374016.5 814798.0625 346559.25 191169.4844 1124649.125 2268869.75 4477195.5 1430071.25 118314.5078 78260.7813 139198.0469 3783820.25 326252.25 243750.3438 1902640.25 417187.5938 207226.2656 1155925.625 387849.5 3890351.25 185730.2656 130492.7188 496872.625 277175.0938 2465661.5 488536.0938 536753.375 217270.0625 396013.6563 2171005.75 742303.3125 399870.625 4556740.5 7570490 883176.375 2106116.5 2058858.25 836322.125 560012.9375 1585259.625 649768.1875 823285.875 4915336.5 197181.1719 2922212.5 5928762.5 3922027 242497.6719 1684804 295561.875 783640.0625 614956.625 785107.375 156359.2031 7053707 343973.0938 147416.8125 920215.25 7595493.5 1790179.875 68267.1563 49756.1055 275119.75 1233039.5 1474607.125 113097.2969 540375 2651382 798234.3125 416567.1563 391842.4688 5223862.5 1208483.5 1080030.25 465825.0625 826704.6875 188972.8125 102411.2813 562410.0625 1297947.125 892133.3125 5135646.5 2657308 12872219 4955765 1928904 657760.6875 6503521.5 403545.5 2530572.25 32725.6191 1927432 1513332.5 1126909.5 1296302.25 89437.125 3612679.75 1589080.75 3140518.25 106303.7266 219814.125 410417.125 3880736.75 1180192 3173799.5 3567233.25 1593344.625 970208.9375 2367093.5 4804395.5 5634346 3498284.25 tiglyl carnitine (C5) 446184.8438 318669.25 1036266.75 492410.4375 405324.4688 2306776.75 528374.5625 535304.9375 646148.5625 2237873 525056.1875 1056663.125 449720.5313 473513.2188 462985.0313 857772.5625 525175.625 784851.5625 730007 373794.875 720688.125 1061744.875 1328474.75 760689.25 870800.4375 617888.875 834180.8125 379151.5625 899465.625 451754.5938 546664.8125 741099.875 947862.625 1571573.25 533320.3125 174149.6563 794053.75 953800.6875 557842.9375 545236.125 280923.125 952844.75 490253.6875 575245.375 1521642.5 404848.625 2058756.5 286788.4063 517506.5 314276.7813 9711635 5260508.5 947119.5625 1776165.875 21222590 2417880.75 522256.9688 857153.1875 453970.3125 6680003 4022470.75 5810812.5 13984215 679613.5625 16716481 431670.4063 6560851.5 442787.7188 3575624.5 1173239 33501246 522201.2813 821275.875 834819 7622874.5 2502519.25 973147.875 1519990.5 6458769 3001782 4640093.5 5275333.5 5711461.5 4083140 243417.9375 3780648.25 398375.75 3822646.5 1378985.75 373014.6563 633626.875 458381.75 22104004 4651163 1843401.625 3204684.25 29495272 5749853.5 13938609 670438.875 1389299 2226817.75 2572056.75 1608446.625 657633.6875 2269348.5 2556770.75 599497.875 299950.3438 876715.125 404215.4375 2896985.25 2798133 1998770.875 298027.6875 1164955.875 1437558 7110227.5 4533464.5 2244481 16634753 13242270 684003.5 5087385 6579103 2387570 1229218 1337239.375 1560533.25 11072968 5380695.5 2195262.75 1026814.875 5965603.5 980805.1875 485472.5938 2910745.25 1450418.75 1597188.75 10991004 1446344.75 1143979 36521444 3954027 296087.1563 320088.7813 818516.5625 447669.6875 8164831 1082791.125 2511761.75 3656192.25 594500.625 1028009.063 11013915 1159562.75 1848746.375 2307979 5218793 601075 708679.375 913411.5 3861931.5 1198325 5642153 3285438.75 1760736.75 1547704.25 4759880 1865039.375 1043859.313 525471.3125 16030222 1549180.125 1018435.063 614216.125 3489147.75 945584.0625 655655.875 1436345.625 1906387.625 11620400 1067188.875 2248563 8500374 649043.4375 4386279.5 1568945.25 8211709.5 5056009.5 1955132.75 5087785 760614.1875 3084434 1746731.125 3115876.5 558776.0625 12548275 7722819 479455.0625 10326866 245275.7813 5853725 2260744.75 588470 1100503.25 908570.75 427791.2188 2156030 4258576.5 6449958.5 390236.0938 1714163.25 3145242.25 7142935 1110849.375 1385140.5 3224693.5 7331793 2515073.25 930304.75 721983.625 12614644 8042806.5 890338.6875 1226558.125 375708.7813 3273187 670489.8125 1023308.75 3012828.5 5047228.5 1630168.25 7731575 2994135.75 5694516.5 2357868.25 16998724 5128791 930480.9375 2028455.625 2644222.75 2559883.75 1297933.25 638366.75 1149068.875 1978510 14665231 1499061.5 2689195.5 334424.875 1772610.875 5219270.5 1971928 3263657 20095390 3438077.5 2394191 513858.2188 965295.25 14101421 955715.0625 768405.5 33287304 2070609.25 776927.5625 2394300.5 2379786 2724726.25 421987.75 3358805.5 1986152.375 4795749 1169653 277409.2188 168564.6719 1499061.5 2252311.75 2487219 2941208.25 473377.875 267821.25 628392.25 1119022.5 756787.5625 2485504.25 4829745.5 902854.875 1687794.875 1494587.125 593430.4375 1264560.375 1098565.625 1149813.75 505934.1563 822060.9375 3329437.75 699345.8125 5944432 2151436.25 N-acetyl-aspartyl-glutamate (NAAG) 121758.8672 102152.8594 190231.6563 137078.6719 107059.5 141199.5 173598.5938 146292.0781 170675.5625 157193.5469 140460.6719 108953.0703 249968.5938 128178.4141 154484.8125 203453.375 147609.2656 105981.0938 149360.9219 134766.2656 177032.4688 128710.7578 96980.0781 114936.2422 55716.4336 182746.2031 129361.3984 109598.7578 189290.9688 97443.0547 265810.4688 96452.9453 230702.6875 194450.7813 159301.5 68666.7891 142883.2969 148423.1563 150231.6094 144049.5469 217221.4688 115119.5313 185620.2969 247873.25 115580.25 159209.6563 189690.75 108492.1641 115875.8672 79847.1875 1619724.875 1079508 192428.5938 354916.3125 1858254.875 1153619.375 113898.8516 120916.3125 83361.0313 1290058 1918341 821902.5 2340521.75 207285.5156 3989357.5 195035.5469 1243508.5 154420.2344 775048.625 272492.75 3544765.25 208366.8594 725559.5 311606.9063 2919763.75 700151.4375 303880.9688 588115.8125 1976971.25 1071988.5 556603.3125 1989494.125 3268017.75 1022274.313 245389.7813 991136.625 183862.0313 1013777.125 864636.4375 175057.6719 757485.9375 121902.7266 3397635.5 1286258.25 683599.5625 1109307 2501731.25 562838.875 2166012 445338.8438 222025.0156 1050065.125 584942.25 521358.4688 364859.7188 455865.5 480948.6875 183953.0469 164506.5469 322692.375 235387.625 1021676.375 460531.4375 397825.4375 467977.5 311309.4375 291195.5313 3854094 1070430.625 741040.75 2476608.75 2980115 235421.8906 1346632.25 2843928.75 1168241.375 596331.0625 431797.125 843556.6875 3260547 1278415.875 673608.1875 173606.2188 2352171.75 521914.375 231331.5 1166114.375 175650.5938 242176.2656 2359465 485581.5 692153.4375 654241.125 1875694.75 99664.1328 289350.9375 184963.3125 294452.5 1309960.125 655189.8125 569589.5625 1703821 184621.7656 746131.5 2702132.5 420704.4063 423329.2188 1517370.125 1388600 169205.5156 293747.6563 468960.9688 932781.875 148644.2813 1842457.625 995771.3125 1397380 522607.3438 675380.875 544311.75 778682.625 87934.875 1756596.75 158672.6875 114731.9141 336808.9063 647839.5625 608482.0625 261792.8125 565108.875 886117.5625 1020820.375 413679.8438 1520455.875 1170152.625 272848.8125 814438 935900.5625 1300096.5 362517.125 460953.25 1519142 423925.4375 2410994.75 677741.125 1738068.125 97684.8984 1848883 4524588 466835.625 4401847 269247.7188 1305228.625 1228101.125 167451.375 621277.6875 816127.1875 970958.5625 455865.5 2095112 1770071.25 287142.6875 323689.7188 482760.875 998128.1875 308331.75 211778.125 5299639.5 964966.75 1958466 271365.1563 323135.9688 5629182 1238626 369043.125 350545.9063 258199.5 896016.875 349844.2813 347877.3125 824094.5 1326479 247759.5625 2046775.5 1585927.25 1103857 508428 1644326.75 2433027 133089.8438 450777.75 346157.5313 510220.625 342173.4375 269765.8438 234231.7188 1200765.125 1000146.438 329421.1563 548314.6875 71947.7578 464187.0938 1876468.75 522076.25 487781.875 8522991 1515741.25 342252.0313 191012.5469 143369.9688 2341601.75 951777.0625 85248.8516 6434055.5 634929.5 314762.875 200071.3594 180847.9844 1180240.875 245992.5625 295554.1563 216696.0781 2404761.5 391540.625 328814.9688 127456.6641 301950.2188 945336.1875 206584.8594 359660.5 189475.2188 171929.125 119488.5469 749440 837916.0625 826823.75 966969.3125 168492.3281 1528125.125 581432.0625 229200.9844 228743.0156 642365.8125 516991.5 209632.0625 557038.9375 280406.4063 58159.6211 1424546.875 637494.25 glycerophosphoethanolamine 3678325.5 3194740.25 6696574.5 3900901.25 4777640 4859918.5 7291491 3668897.25 8041452.5 3818224.75 5350904.5 4913540 5044151.5 4417008 5685203 5284755.5 5247719 5388256.5 6558781.5 4404570 4652923.5 4436218 7059264.5 6284887.5 5148508.5 6732487 4701363 6634369.5 4770848.5 4232829.5 6589809.5 7962763.5 4040175 6524819 8386729 4115259.75 5956827 5358459 8290354 4413269.5 4985711.5 4551061.5 5219648.5 6142316 3843116.25 8395702 7218968.5 6881968.5 6462487.5 5126082.5 2618990 4306021.5 3684796.5 1311920.5 2979601.25 1403630.875 4486888.5 1191411.125 2513854.5 1939333.125 2852534 1177216.5 5475227.5 1674707.625 4096569.25 2035895.625 1430976.125 4210057.5 4599211 1013947.063 1818813.75 2464308.5 2011682.5 1661502.875 6519360.5 2119032.5 2830281.25 1644003.625 1234412.875 2127814.5 1701141.5 2786501.5 2900514.5 1661046.25 3733167.75 2107312 2384361.75 2696491 1104565.5 3409570.75 1618268.25 2710121.5 10022368 3045960.75 1586578.875 1692276.25 2219045.75 1757726.125 2235634.5 2491259.5 842408.125 1312849.125 1357708.125 1065228.375 1457855.875 2054167.375 1852149.125 1620591.125 2203438.75 3387250 4303405.5 1962481.25 1352268.375 3245806.75 1867169.5 2758820.5 1851493.125 6380875.5 1923855.125 2701248.75 2698861 3891038 1429877.875 1837901.125 3030872.75 2154035.5 2645983.25 1500678 1793934.75 1582120 3752490.5 2467148.25 1487856.5 2480836 2586849.25 1756431.375 1362162.375 1571324.5 1632154.125 3702171.75 2225447.75 2466615.25 3208795 2724470.25 2765738.5 2154147.5 1541596.875 2799548.25 899158.75 2384738.25 2149749.75 1467383.75 2313398.25 2208142.75 5915417 1935909.25 12796075 3823730 2081852.5 1575574.875 3229513.25 1898381.875 2546524.5 2310132.25 1579516.125 1498860.5 1665019.875 1021318.063 2804340.25 2995331.25 1718771.125 1878034.875 3495030.75 1147099.875 3722248.5 2191767.75 2128940.75 2217362.25 3358314.5 1995150.875 1165513.5 2398629.25 2828727.5 2769363 2676742.5 3125846 1611245 1531480.125 11551043 1040877.25 2101751 2018883.25 1824188.375 2346188.25 2130189.5 2734712.75 1304416.875 1908331.75 5339336.5 1916339.625 3713873.5 3358224.75 6493802 2214920.5 3902917.25 1872092.75 2574576.5 1900077.125 2373331.25 2858312.25 4262347.5 3190020.5 2986784.5 1176154.625 2105881.25 1401854 1199489.375 4777596 2316931 3712117 2204181 2645437.25 3895012.75 7577747 2444188.25 2191713 2298156 2202887.5 1528775 1315573.5 1862376 4027722.75 972542.8125 3566099.5 1906784.625 3465201.25 1109769.625 3615085.75 1460740.875 2982485.75 5989178 1425554.25 1115831.875 1451213.75 2689464 1521799.5 1504815.125 1316772.75 1553057.5 2251984 2668946.5 1060373.625 1155156.375 1659465.625 1916714.125 13430985 10551456 2462001.75 3042702 1171004.375 12776231 1278094.25 3793940.75 5604932 1249393.625 1522073.875 2537704.75 1595512.5 5729983.5 1407434.75 876858.6875 2376223 2005201.375 1986780.5 1245939.375 2464308.5 1975376 2847660 3583655.25 1191185.5 3784460.75 2781685.25 1365447 3256651.75 3665568.25 1449177.5 1436847.125 1682045 2751615.5 1488215 1568467.75 3570218.75 916900.8125 2084853.25 1926323.5 2815552.25 1143542.375 2654514.5 1591427 1009658.625 glycerophosphoinositol* 16130.1865 90394.1875 32619.4707 29150.416 46626.8047 46102.3555 48487.4336 62800.418 22558.8789 71144.0234 21217.6875 19387.957 36870.1914 114768.625 23400.9766 45800.4453 123690.1563 49236.6797 29718.9844 216905.3281 73436.6172 60349.4609 185703 43769.8047 84719.2109 36721.293 54899.2188 25018.6797 75576.7422 104430.2109 104801.6016 48119.3711 34278.4688 850240 875515.4375 94759.3125 190455.6094 701869.8125 458891.5 119321.625 1174657.5 284222.8125 92654.8281 1237356.125 80830.4844 1036968.5 42265.0156 807050.5 91589.2266 301773.5313 62463.0273 345214.375 109873.1641 112796.8984 932556.9375 241602.875 68565.1953 255981.8438 303832.9063 893447.8125 228195.1563 499043.6563 370637.6875 369773.3438 121872.8984 180950.375 51481.3086 461037.7188 72871.8672 98086.4063 96005.2969 26087.2246 769030.375 210879.9531 333780.875 290026 1562368.25 470081.9688 1348044.375 159726.0156 228636.1094 199006.3281 34096.7852 41503.3906 254064.4219 102580.9766 39600.1719 104137.6172 28284.4043 199666.9063 109332.8516 148495.4219 53566.5859 226398.8281 104775.6406 2242925.25 128285.7188 118763.7656 287549.9063 1454231.25 58090.3867 473587.8125 583261.375 118855.625 143538.2031 491844.1875 107852.1953 781168.6875 324224.6875 422082.25 109406.0938 1009814.313 445074.8438 56140.8633 349655.0938 134237.2188 46959.4961 1882934.25 182716.875 158640.7344 823213.1875 1421916 41940.6914 128918.6719 699494.375 253802.6719 94202.3672 553904 840362.5625 2712119.5 126569.8828 539262.875 1189221.875 181881.0938 53463.6875 53038.1211 87568.25 230176.625 158987.5313 647390.25 440950.5 300245.6563 199874.5313 481910.8125 87065.9609 72707.2266 135294.9844 964814.875 71984.9844 100602.2109 465191 108722.7344 24874.0879 182085.7031 175042.3906 1207923.25 121442.6328 931511.375 233354.0469 65750.8672 393609.0625 155759.7656 782195.1875 544084.25 166845.1406 360886.5625 67473.5859 762226.3125 224504.125 1856911.375 41566.2773 582324.8125 2645213.75 894378.75 49623.3711 1021109.188 203460.125 245396.6094 213901.4219 74728.8125 742444.1875 604662.875 661742.8125 65119.6797 241053.0469 808337.8125 200975.875 93583.4531 6350119 459498.0313 630530.6875 154368.7031 259632.7031 2747956.25 1214579.75 144427.5938 342882.75 69090.4766 194552.6719 494981.5938 47916 384010.25 446005.8125 90061.2891 182179.8125 212565.7969 1025700.438 36551.5586 122662.0469 252823.75 245972.6719 145141.5469 170430.125 20625.5957 258166.75 282277 155082.7813 470782.6563 233690.5938 431996.875 342105.4063 106795.4141 1028274.313 830398.6875 745360.3125 42055.2656 259903.7969 1885003.375 95000.2813 491898.4688 255321.2656 129475.75 81607.9688 117648.8906 949828.75 68488.3984 589226.9375 41365.7695 637424 63537.3398 76490.3516 162491.8438 72610.1797 39575.1211 80129.8203 38383.4141 74910.375 254875.3125 219445.7031 716495.125 699892.25 433456.5 194353.9219 710921.5625 409475.6875 52439.6719 93195.7422 482606.4063 355351.125 ectoine 760324 189874 623209 1804773.125 534364 1499451.125 1043946 290610 1395989 172703 403419 2680452 413881 543439 285109 419935 578572 469358.0313 456332 380287.4063 1236836.625 320456.9375 270428.875 381051.1875 385235.5313 354861.875 310260.4375 1190905 100696.3984 1019453.563 3558091.25 400989.1563 168102.7031 2419578.25 928779 133776.2813 615269.5625 391615.6563 839536.75 264229.7188 4403584 2495894 440944.0313 470827.9688 732464 2521862 454317 4179587 1049633 68131 155578 3061087 1881337 536445 275860 592812 394747 6472116 341984 251271.0156 703873 931017.0625 541191 452565 697988 235478 663576 864062.0625 217402 10063692 1658038 290036 652147 315951 1415356 1112996 292991 304842 578271 653528 370222.9688 449177 148174 1399616 3973401 742562 750289 163563 866074 1646347 5640376 432751.0313 3888226 135932.125 207302.2344 740020.9375 275749.375 225562.1094 284416.5 1091077.625 76581 388892.7813 696231.125 3626805 5698017 149772.75 603512.875 573204.4375 6070886 481916.2188 392602.125 2721614.25 917046 1174473.75 818436.625 330108.8438 467225.8125 9698194 2705952 2251612.5 209181.8281 6743816.5 1113765.5 360433.7813 2079064.125 1436409.5 544795.9375 2015150.875 545414.4375 2435603 3882145.5 5312923 421230.75 87078.2891 4225429.5 998612.0625 713776.9375 944726.375 14528460 201725.9844 1075910.5 1595167.75 129434.6094 253851 773310 1782254.875 2642944 832936 575772.4375 106359.6563 1769703.375 1115706.875 278950.75 940512.4375 999777.4375 112596.1953 1875469.5 1511124.875 507944.25 317259.3438 81590.0703 1966405.25 718126 834860 2946402 1156092.875 6231292.5 3982527.75 1018349.625 2737874.25 323245.9375 1264886.75 853169 187988 3489350 983737 5026059 152504.3438 197037.9063 722475.125 569910.875 443340 355867 144941 4447622 3784058 1965067.875 4756885 9654111 2117232 1690745 2876128 260216 1913671 929690.0625 4160123 200842.9844 3997407.5 6963308.5 deoxycarnitine 34970472 26392560 43258108 24592738 27124496 110351856 22814068 39941188 55952744 53377916 38583772 28314622 46739248 25608910 53834504 39683720 41026676 28587916 42557908 71825720 50565444 50258828 47459676 43644968 46142508 31423524 46880260 29544780 44467088 33454740 31660662 33200872 48831920 47394228 68165976 32794678 28228910 44775076 58316516 30226568 28772730 32809722 42697408 39860836 38810972 37411920 28291228 30236284 25941774 44920616 157446064 54854364 41543104 106235096 168373056 112949728 41197144 57727880 18166312 58472320 69068040 76019992 310193312 76308216 216569136 36076072 64768612 68646056 94132264 94770992 166671184 50281512 85581168 23174058 138860112 110445936 60377640 30606870 117366240 53292200 100713616 236051152 118065184 78845600 61744632 78847616 35431024 165240032 44368636 30866570 80539536 32458268 258938928 73351440 54262768 102592536 204617440 208864784 132497648 33817444 59605224 75044496 57938552 58323476 61398252 106360160 54107572 37670108 27224304 58653416 28437562 85021504 72369944 57821840 46526120 65725288 61561232 142957728 79199176 104036976 127840888 117492856 58006016 130410832 91613016 110614744 61477752 52926572 81525352 163818784 48103956 40008440 43528752 145748848 35537420 19517288 83614944 71207912 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65190192 153559664 125883928 53414356 89253408 26760842 88258120 96986208 110479568 63410676 288484224 44182376 107522704 29719712 33148458 335981952 55212344 38734404 166096128 49064068 93734184 66290616 70037032 75202800 37638604 95677584 60078596 217332048 29896934 51460276 19257852 83253320 38829448 63639072 78019296 52294940 31049480 73369296 66836952 38133932 107788432 94195808 60293828 83503024 77208152 50849672 54815100 177681280 64194048 81547416 29801154 174109184 44912636 121089448 111358264 1-ribosyl-imidazoleacetate* 1630328.25 195572.4219 1584939.5 1705031.375 2489789.5 3369339.25 1538247.75 1264575.75 1075946.75 11435019 631277.625 1263039.5 1410892.75 3727932.5 1217194.625 1797389.25 3020619.75 1908020 725647.25 2833863.5 1357782.375 2732562.75 4101898.75 279323.4063 4704680.5 602215.3125 1653747.375 533016.875 3695673.75 3278690 1076997.125 955760.875 7818778.5 1173428.5 1921858.25 716769.75 1884367.5 3720881.75 1994499 2290871 2380822.25 4895415 2909363 1189086.25 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4227292.5 2878347.25 4427571 3224999.5 5664767 2634770 1218965.625 5331415 6221334.5 10269314 31259550 1352516 7581163 51731916 20661588 950694.0625 5943649 17195934 62778364 727881.875 2731719.75 6416885 2201157.25 760986.5 4367720 5426794 907837.25 1141029.25 7911011.5 4623849.5 2057487.125 12428653 535778.4375 14494021 401675.4063 1169423.625 595699.6875 7841657 742921.5 1687274.625 1646699.5 1472662.5 378507.25 5995532 30936308 4099756.25 10413737 33060130 1732341.125 5361489.5 3372166.75 1233286 20472802 2290871 106043568 259823.9688 4393580.5 4314017.5 969832.0625 30976286 12991969 tryptophan betaine 2883824.5 8396673 6143155.5 30849854 21025332 22410780 13895802 7793287 15333380 5777169.5 14850896 10875283 12510428 9218883 7358382.5 15591629 15996566 6922238.5 11743583 9764998 23810492 10930100 6600059.5 33672824 7274903.5 24111892 3974687.25 20647990 6570718 2708690 106070688 33712728 7946729 12493252 1752568.625 29515800 19304292 10375243 9215195 14585246 3226511.25 8051904.5 6347780 1095092.875 32135844 28803846 26390332 54947580 87384728 7506401 20551078 19307254 2820303.5 38734072 4335209.5 53697.4648 14464584 43795000 2774239.75 20069960 8231973 4769882 51248828 770187.0625 3476686 5749394.5 3817892.25 6936734.5 17370452 7604865 32480156 3149130.75 35051248 5463479 12632543 2964628.75 6655067 3674849.5 2052486.875 1541732.5 30363688 3919238 8139978.5 12718766 3730694.5 3986210 11623210 1975067 4571613.5 3047836.25 309437.125 2903862.75 1864542.5 4765621 1624865 26621614 6139218 4448081.5 704694.5 12529664 12234336 25368912 1571940.375 2919278.25 810789.6875 190080320 1362770.125 738802.4375 7434597 1514491.25 185068912 37009388 4914985.5 10256655 4121497.75 2410241.75 12952887 10763294 4859630.5 5327720.5 25796638 5339010 9780845 759002.25 1515150.125 15539133 36669640 1188298.25 19282564 2323803.75 5157774.5 1245663.25 5467582 910511.75 588378.75 10431220 1378707 1111120.25 2508767 4873444 6114118 2883323.5 9373966 2832093.5 2099128.25 28068772 9033084 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7058045.5 2552528.75 2146837.25 44779528 3331123.25 18897296 7787033 6641351.5 34505972 7017994 2615595.25 2693088.25 5236457.5 20266536 4190786 31154566 12895931 40843404 6549626.5 5759715 21395172 1658801.5 2866248.25 23001660 5408144 13760640 7127738.5 7787033 24446318 97892856 54769696 68862160 1708507.25 12852666 1134394.625 20602924 14378474 21522746 1896615.875 13025305 14292684 2792993 5450540 144118.0938 13475174 N6-carboxymethyllysine 222448.7031 496086.0938 392976.1563 481968.2813 160274.4063 516895.125 297305.7813 200852.6875 432408 988071.8125 335833.1563 569907 527881.4375 377253.5625 294783.6875 347464.7188 193279.9844 439330.5 268805.1875 340431.9375 170705.0625 537449.9375 795692.875 464480.9375 773324.8125 539749.0625 544784.125 203411.4531 849214.3125 546289.5 324789.7188 540943.125 458697.1563 570262.8125 628626.125 343159.1563 368263.4063 1055404.125 380762.3438 521507.2188 252972.7656 442837.9063 355993.1875 461346.5625 876170.6875 398787.4063 420682.75 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82173568 92604864 80027032 249847152 77067936 188841696 34485624 116973656 615615936 149518496 127436784 160204272 51187000 184310160 45199252 64751348 139435840 74596496 50606724 124964256 94393760 74244680 82432984 114276544 88188936 76344192 234082224 60496384 235805440 45965504 85312696 57809100 140334304 65443724 58022428 132754784 65262932 54745648 119334904 201567040 123718792 117730224 208599088 74624264 106247008 143449616 66813060 53551172 204655088 414166688 78133136 84210512 117308224 66386364 248533360 241019520 gamma-glutamylalanine 5952217 2619177.75 2468809.25 3229259.75 1060705.75 2191294.75 2642588.25 2878289 2265260 2558345 2316995.75 1326965.375 2189379.5 2304997 3272862.75 2488791.5 2679926.5 3223232.75 2084411.25 3071088 1591531.875 3150787.5 2935365.25 3020078.75 3596968.75 2045297 3208076.25 1616131.875 4430575.5 3022389.25 3133927.5 2892492 2397035 2907127.5 4007202.5 1978543.125 2490572 2181006 2789052.25 2479876.75 2089322.75 1720946.375 2029107.25 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818003.75 573097.1875 500229.1563 2598911 797470.3125 4271500.5 318859.9688 26070660 3257357.75 1390750.375 102869.2656 611528.5 1784071.625 71657.1016 532358.5625 327572.5 276342.7813 2269259.5 1463071.75 3303588.75 2687582.25 380817.7813 11830419 2195840 84277.5938 699812 1789687.875 263389.2188 383243.1875 1600136.125 1112424.25 97857.0156 1188110.75 6235931.5 betonicine 3311440 560119.3125 1228733 769177.9375 649138.5 840854.625 502681.9688 907977.0625 872667.9375 1624190.5 881167.0625 278296.75 1680774.125 651062.6875 5696499.5 5822454.5 591368 276127.4375 1362084.375 362618.9375 17381082 603026.375 1281001.375 969581.25 173635.8906 42137404 327220.0938 6390356.5 290872.6875 138625.0469 353016.1563 54648.5039 11030802 420347.6875 120056.4297 389812.5938 1586797.125 2313603 163524.0469 549893.875 3863949.75 924530.75 11634074 19127006 87055.8594 436186.5938 171619.0625 138399.25 10800938 588588.5 424068.2188 184415.4844 10337572 876313.0625 215458.0781 2070825 962428 329764.4688 504585.7188 3836016.25 899477.875 222133.4219 1938569 1132545.75 1005924.938 4015393.75 1345899.25 904887.6875 491695.1563 95539.125 961439.6875 1085522.875 5597583.5 23034.8164 9839311 6687495.5 484623.9375 875757.25 278159.5938 2048279 1600169.125 940885.9375 1102887.625 1487543.125 1262703 480664.1563 486413.8438 2963656.75 253369.1719 1891805.25 653331.875 394572.875 3863753.25 212546.0313 3600875.75 2407437.5 ergothioneine 1919362 5495330 40930052 7659308.5 10430110 13860255 24422934 5189141 6870946 5325549 7906350 10872737 10597978 6107112.5 4488225.5 34676748 17266642 10868025 23009232 4606370 6111762 11082758 5565216 28471372 7418656.5 5340138.5 7356611 5464550 6591757.5 2197209 8372224 44452204 6819996.5 5447461.5 7652981.5 9135303 22617076 16491539 10856483 1328248 29254856 21814756 13667006 6562918 3221477.25 5100924 2892707.5 27497632 3052993 10918785 7944441.5 10251794 17828002 7014911 3156636.5 8892670 40000736 7583232.5 39447564 4235286 25116210 17353002 17190004 3449582.5 11817280 40911232 7599372 3275021.75 6386925 10106358 13318635 57815420 34215016 5570449.5 15245874 23373936 22425110 7048925 19463258 6530661 4950609.5 8748434 35675536 34928544 13859732 15489608 26399486 15801845 33930340 30195800 39864280 14114735 22590104 12196098 3480952.5 7770413 4541115.5 23468330 4723664.5 12162669 1797958.125 39077204 16050316 11980312 10665714 7130306 4265956 14916512 14063690 26669174 21547568 15905325 15209104 17649718 6498822.5 28034298 1701707.875 21550242 17900934 2777812.25 3613850.25 21743654 9121376 23187836 48247676 17203400 19098270 1263702.5 8075029 13372643 11015429 3407998.25 4850625.5 22482014 7566782 22786710 5409448 7545833 12524057 66010312 5936051 25737552 3078717 6456298 15034663 3598686 10316248 4572645.5 42532208 5702435.5 15570231 25496718 78440152 39555104 64071528 7555563 7041894.5 7882824.5 10228233 4666964 20729978 8757869 25837826 57562620 2597642 10548230 15073120 46255000 21503436 13398185 3943178.25 7376013.5 9766889 4445294.5 14681946 17230846 11032204 12973346 15921688 15301556 5878598 44708404 8167776 15718865 5832453.5 5383029 5355844 43717260 37968496 12244837 4449935.5 17039754 1039356.938 21973496 14877115 14440376 11785115 37457200 38181384 6988462.5 16474121 6324971.5 18240590 11175829 22858062 43797524 11082758 1999886.375 13210312 4902459 5748354 77927272 24373150 18530084 17354870 39011912 14409841 16714481 13146961 77384520 78310232 30385950 14974255 15170605 11791456 4506598 13536083 16993834 8100245.5 1500852.625 2545384.75 1153239 1777095.875 2962337 5263485.5 19201814 40884252 2668353 44222816 18015388 25429814 3091546 17952022 19490724 16284783 24055562 11133312 1783121.25 1395391.375 7799012 11560047 1762353.5 2479302.25 1825304.125 9953409 6133068 20911166 621644.75 4006759.75 4133653.25 43416780 4560319 6621870 7728426 21548148 4786464 32686710 13534703 7546681.5 8947918 33748768 31604958 43714664 12448754 3243950.25 1821487.25 7093444.5 4309188 32693910 9572566 11462345 10947920 19624380 2953095.75 11532713 7895833.5 6212977.5 14630450 14425409 33318718 3810074.5 10382150 4958288 5542109 6381009 8643795 5679976 33023012 758864.625 13289197 S-methylmethionine 123424.9609 42214.1719 303070.6875 917268.8125 2116028 72517.3203 128924.2109 295181.2188 629639.4375 127735.8906 458018.75 376171.25 379218.5313 200663.8906 50386.9453 318192.5 76544.1875 1009936.188 2164962 224055.6875 286461.5313 461763.3125 790280 126493.5156 428313.5 271926.4375 2834163.5 1100112.25 221156.9531 926413.4375 181651.6094 1288793.375 532523.625 2251883.75 510629.2188 1929255.125 87043.7266 303684.6875 82529.375 254703.3281 30607.9434 319349.7188 576413.125 1243947.5 186523.9375 524317.1875 423293.9063 348571 152086.9375 200712.875 522981.9688 282628.9688 107952.7578 75883.3359 668252.4375 96248.2031 121400.2266 659349.5 316629.6875 1364952 99601.3359 37672.1797 327650.6875 101330.0469 71561.1953 88384.3828 39220.0391 65073.1914 48195.6875 275759.0313 89676.6719 113121.2031 206530.1094 30819.3164 779902 183420.75 7-methylurate 86483.6484 81403.7891 106397.1563 66404.4531 229797.4375 85391.0938 157724.9688 388731.8125 96047.8359 132383.6719 175511.3594 80757.6484 44017.7461 72042.0938 102974.0781 51175.9336 82694.2344 78610.2813 64645.5117 151980.5625 148278.0625 224083.1875 85038.7422 108736.0391 67628.6172 374839.875 127351.375 97326.4219 114403.0156 143177.9844 289385.5625 126367.8125 43788.5273 267881.3125 150354.9531 137873.3281 110423.6484 61442.8398 93143.8594 94831.7188 58306.3594 184902.4219 46343.8828 130276.0938 519494.6563 280578.5 211710.0469 283308.5 324368.875 97850.9688 97869.375 82398.7734 73230.3672 724325.4375 568553.5625 133547.0938 188097.3125 99444.2266 1683998.375 517859.9688 149473.2969 474682.5313 214516.4375 327970.5313 85031.2031 73335.2969 424111.3438 111162.2266 101372.5313 158185.1719 234779.7031 183964.6094 274095 144631.8438 216484.3125 31389.4395 92231.7266 203833.9219 212726.2031 202773.5781 88851.9141 587396.625 627057.0625 88009.7188 214544.0469 88180.9141 109441.0234 80161.2109 961384.0625 65379.0977 81702.0078 353626.625 533080.1875 158435.5469 402868.7188 99124.8438 151086.8125 405202.0313 219946.9844 40993.2109 194675.6406 1955003.5 51418.0039 173369.5313 94111.2578 217208.7031 332365.5938 145496.125 2567433 2159970.5 189487.7813 228871.0313 70259.6328 67627.5469 373357.625 172328.0625 250396.5781 56000.5469 67522.0469 334357.9688 68532.2656 148028.7031 157382.7344 54999.9297 296451.6875 650237 230383.1563 77604.9688 68667.5938 86428.3047 90233.6484 84021.0703 1507070.375 81452.8281 191214.9063 222865.1719 147196.4531 174770.4844 503560.5938 281618.25 177397.2344 68762.4375 176515.9531 91612.5547 156538.75 77599.6328 557394.6875 185293.5 484570.125 143494.4844 316922.2813 134261.5938 502184.8438 442396.0625 67158.6797 423845.6875 106436.4219 122393.0391 368408.875 82013.4375 799340.9375 312519.125 1431587.125 131505.1719 171788.875 73041.9688 873588.0625 80435.2969 98720.25 102538.3828 280974.2813 462627.3125 93420.9219 108250.1094 311557.9375 85632.2891 56552.125 422871.7188 2078063.5 253795.9219 274007.5625 117258.2422 170894.4844 406752 267248.8125 268390.1563 138771.4531 729266.75 341833.3125 149583.6563 573786.1875 132973.5938 151410.9844 507522.5625 14922284 208933.2344 665828.6875 607152.875 201682.7188 237958.6094 118111.3672 136509.3281 298872.9688 442585.2813 157101.8281 1289350 1070523.5 6862960 171935.9219 167916.4063 103609.3281 1332435.125 47831.4922 311740.1563 444059.375 278122.2813 99237.0859 135333.6563 95963.1563 43659.6992 191752.3594 397658.1563 275767.4063 181240.9375 483347.875 474648.0313 24961.2461 172132 181669.0781 433155.375 205470.4531 46652.9375 191721.9844 149228.4688 329300.5625 94867.8438 282134.0313 857978.3125 628422.9375 140620.6094 640706.125 375399.4063 110877.8125 732954.4375 332252.375 260366.5469 211944.6875 110394.1484 116901.8984 486013 977882.6875 N-acetyl-cadaverine 328448.375 516297.2188 272791.9375 189929.5 103241.2813 396506.8125 424113.9375 158773.7656 455064.375 846046.9375 119306.3516 400909 148577.2344 204546.3906 151008.5313 227150.4063 128532.4219 146104.9063 394830.4375 123924.9141 126402.7734 668866.0625 106239.7344 85585.6172 264188.2188 103763.8359 625981.75 139243.9844 325227.7813 281497.5 182203.2344 202173.2188 415011.2813 308800.9375 1232440.25 192202.3125 236850.5156 567329.9375 90715.3438 155320.2188 192887.5469 80235.5 1055563.25 156135 184047.625 82879.625 310656.5 900744.25 210546.0156 722977.1875 107255.7656 245026.8906 725705.375 602778.5625 191276.625 105719.9375 242600.3438 370269.7188 60188.9414 765088.3125 352823.5625 3125043.25 723211.75 281749.5313 6303983.5 157680.1094 101981.8203 65200.7383 76982.0547 179928.8125 115048.6563 224543.8281 206837.1094 384141.1875 849052.25 311658.4375 236413.5781 2453006.5 7013467.5 90055.2109 443449.6563 71135.6172 357848.7813 484873.8125 414819.9688 401873.1563 166124.4531 264859.2813 73835.3672 132232.6406 262435.125 1461088.5 213778.7656 344244.1875 156192.4531 99445.5234 249699.9375 141361.5781 428006.8438 603882.4375 295146.4375 188084.1406 206677.6094 1314640.125 163674.2188 246069.2031 103508.1719 6093129 145326.3281 953016.0625 347542.5313 3796109.75 284504.5625 434135.9688 229898.3125 1174303.375 575079.8125 95901.6484 569656.625 120227.0703 768474.1875 414563.375 3942194.75 1206494 86751.9688 336054.1563 66021.9688 115291.5234 282644.25 86328.5078 2734314 1395439.625 1686162.625 214531.9219 95211.3906 156789.4688 476568.5625 777214.75 140524.1563 261188.5 823424.6875 146988.6719 866108.5 47668.7305 246120.1406 134235.8906 403958.4688 359333.5313 1495589.375 2936705.5 97557.5625 161079.1563 397950.4688 647485.1875 197757.4688 2677438 179193.7344 453574.375 530064.125 159918.9063 301170.0313 44760.8008 367320.5313 139773.9219 180701.5469 271760.3125 1654617.25 289917.75 200749.8438 1934176.125 196559.3125 65881.2188 447278.75 415150.8125 709878.375 451561.125 884324.6875 299880.0938 156264.4219 238169.8438 1957608.5 346413.0625 578386.4375 76094.4609 141616.9219 111430.7734 148563.0625 290267.3438 1236721.375 432143.0938 148119.125 373533.7813 147102.5 259998.8906 989705.3125 222648.6563 515853.125 213270.0938 202201.375 288500.5 1466120.875 62623.2578 58004.0313 307004.375 405176.9688 1767774.625 43421.0977 247077.5781 15887008 195965.7188 6553072 10915268 1936948.25 788547.875 1094165.5 380520.0313 135600.5156 166361.6875 708992.3125 266820.5313 288500.5 238495.3906 1599774.25 605858.125 341386.5313 58851.3047 132450.5781 295390.9375 219861.8906 200447.5625 710082.75 5593150 802055.8125 64892.3281 169877.5938 39477508 9362410 525047.125 717557.125 156919.7031 917970.625 643628.5625 787085.3125 1160783.5 183795.5 3722650.75 765201.3125 79276.3125 487168.1875 1286955.875 87292.1953 170700.375 592580.5 924023.9375 40820.8359 246955.9688 342784.9688 505663.25 393477 538851.5 35607.6836 301052.9063 1122431.75 183997.7813 6805230 292496.4375 102233.9922 58367.8477 262808.9063 1558995.875 82117.1563 856657.75 5-(galactosylhydroxy)-L-lysine 435746.4688 289715.4063 396841.7188 338081.5313 293863 641089 244144.9063 450025.7188 452720.5625 1017189.688 395213.75 347603.5938 401549.6563 338369.6563 251170.7969 350707.8438 411377.25 439963.0625 343734.2813 621501.25 377107.625 779743.0625 638630.4375 411971.75 749524.6875 405331.75 774417.5 294098.2188 573848.0625 555451.0625 402914.5938 332009.0938 963428.4375 590044.8125 579464.625 185292.2813 774700.1875 757585.0625 380624.7188 306364.5938 366826.1875 840913.5625 433647.0625 608003.25 799374 582634.8125 769299.375 410784.5 431956 358896.75 6372076 3468718 1001992.875 2235123.75 9656254 6398451.5 387454.6563 496083.7813 206484.4063 6523786.5 2357943.5 711775.5 9685953 690575.8125 11768227 506462.6563 4957210.5 262947.8438 4594473.5 850922.5625 6064113 486823.3438 657928.0625 1017640.063 7744148.5 2621049.75 359298.7188 1628685.125 2489954 3510219 4832399 6732348 5833249 3194399.5 503158.1875 2390326.5 296728.4063 3771564.75 597347.3125 480553.4375 1263378.75 284475.1563 4219695.5 6119298 2345382.5 5289007 9695257 4448463 4476404.5 274081.1563 839986.375 1361665.5 5917033 917831.5625 341345.7813 2847809.75 1177090.5 342618.125 415357.2813 529783.1875 1041266.188 3243499 1099034.5 1009247.063 745182.3125 1423257 1215322 8763595 833645.1875 1009901.375 3110062.25 8137181 377146.3125 4652276.5 4775535 2141799.75 861566 3213234.25 3661664.75 7964808 2045938 5368595 921926.9375 4499150.5 627786.125 440262.375 1991335.75 736489.3125 733594.5625 4952325.5 1216475.25 773644.5 5194600 3952482.75 426255.5313 341998.5313 615280.25 769813.9375 6805270.5 1226333.125 1239537 5910747.5 389761.5 7373898.5 7539052.5 1214168.75 726094.9375 1872494.25 1170571 457907.1563 839267.9375 555539.9375 1059580.875 541538.8125 12430862 1715188.375 3454265 863864.1875 1835273.375 1378956.125 1274972.875 1053694.25 7997534 1483674.25 660754.1875 666863.375 3811876.5 1683637.875 389565.3438 1279343.5 1273604.5 8355170 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379261.0625 421995.6875 1551354 4583444.5 4678182.5 2768940 4805471.5 607015 10175746 2092726.25 551639.625 1897587.5 2119386 7633643.5 365781.3438 2088493.25 1544033.125 723473.625 17086410 4900365.5 cysteinylglycine disulfide* 43876960 44028700 43758380 47924104 24553292 59349084 31877290 43013852 49543800 42927412 43852344 58203100 34681764 35180572 46298068 53982552 33315234 32462986 42176388 49972848 31953460 45053860 71405072 48898568 59722356 32730628 53793044 28157018 35008916 40873936 42022344 33620100 57678808 61679752 49772200 44936356 36079804 84037896 45748796 35840636 25321354 31471608 33806880 38500348 34522536 46245832 78538816 35216392 36490968 40918972 36240416 15149391 25368504 34055132 96262720 47219156 29183368 22365650 34455500 45485828 43407032 35375784 44923172 36242536 277161696 27107964 162848624 33841208 17339620 97864776 211775648 37254764 31873744 33780560 61456496 89060280 58249436 72010784 51709704 42175920 60478304 150884240 102029728 23213858 29345130 12660367 36356592 57323908 39538952 24750186 35877252 8106338.5 91598776 27021130 20279866 59381288 104651664 11328530 126593840 24193400 18481672 37603928 33691948 57426564 31353242 22242786 28529104 47662628 38693796 29699496 30000546 95458048 67851256 45725676 28503824 36979812 63282648 13368823 45942148 42780860 151409856 79019336 36125012 53344460 81456000 78204536 13514364 43761592 36666344 55367208 23837988 72046944 38960396 36544628 16480017 24278722 41403380 31590992 43610940 37646104 33930096 53007936 4768634.5 61454680 46208820 25924890 50786760 39291904 36552588 59308628 44585692 67680872 32991730 39725160 173702832 30976780 4097323.25 113980880 56178144 78510216 36704880 29309868 83829464 24091098 175813232 38091748 28010944 42516756 19843900 31921540 63842916 49208620 107943392 50806020 44427864 40419796 53736724 33962916 25917578 64153468 61455140 35993772 59529584 40073464 115060112 46337516 30720456 28581204 40368260 60142176 34223372 137910048 26701022 22161438 93129200 59347656 20500336 132692440 174589904 44301144 134508832 40080624 14487644 61262212 47596928 19960476 31360686 44014816 22253066 101884856 19750700 67779792 22244738 61777160 43761592 17857072 38106076 285943136 19905640 12416659 31824444 16276677 48067332 58907504 27850100 27815128 39503676 125007800 46236748 68283456 45728056 19553670 43912248 97324144 149784688 166725424 109772800 67793160 40168008 24360258 33142170 56866048 35395032 51901904 71191352 72862136 74605376 62321208 82663016 56656652 35410812 53017316 150232304 45867548 37098884 202009344 65913808 77965480 30383576 34260980 86993336 45072288 27096346 166198576 75054568 39304320 63627212 38246532 53365808 27807712 20932884 72260936 143002096 47063320 47217552 29345188 62097044 46415828 67203016 72296264 63631412 12289167 22393512 46917336 26242968 63665324 172331328 55360196 33527824 100399512 64491584 37810028 177304656 55303356 64447744 33166516 40026764 12075657 103486392 54882260 formiminoglutamate 1205713.75 375442.7813 1162768.25 1705659.875 413216.875 876221.875 910043.5 966426 1118248.125 2287096.75 1187070 603086.8125 1072135.75 295623.0625 617725 938229.875 469317.75 2268661.75 1109849.875 836511.875 320344.3125 763581.9375 1219378.75 731744.875 777261.5 334984.0313 637726.1875 587162.75 694388.3125 762067 288641.8125 300144.4688 898345.4375 832401.4375 446615.8438 675176.25 1131593.5 298038.7813 199872.5938 313078.1875 424786.9688 124568.8672 333967.0938 942259.5 875584.5 1351216.375 241206.4063 2873262 500302.4375 13057610 326402304 2593717.5 1610483.25 6742931.5 3399684.75 648549.25 2567346 1246411.5 24337078 18694396 1270669.875 32247322 1651413.125 4803511 1217774.125 3097329.5 1760540.75 6877776.5 716207.25 9992760 2474362.25 24888830 1802378.5 4272331.5 4479797.5 2497609.5 1659804.625 1502483 8411893 9249895 5155823 8173891 5486285 2135026.5 8854045 1020109.5 12814727 1288852.875 1632252.375 5535579.5 951519 3263403.75 5313190 3513791 2776455.5 289297728 16002598 4890640.5 8367007.5 18349536 9357988 2314728.75 3953028.75 2700201.5 4315430.5 3172967.5 1157450 2416826.75 4350290 1759933.25 1899771.75 2150767.5 1642616 3290332.75 4512589 1796889.125 12058492 3927986.75 4367944.5 13648135 4243805.5 2193319.25 15024315 5387771.5 2183103.25 2819042.75 4443431.5 3081291.25 17737072 4501851.5 1638734.5 1638974.625 26190964 828193 2780315.25 3491987.25 2421005.5 613330.5 23609174 17909314 845117.375 50323380 7628909 4801852 1587409.5 1348626.625 1609166.125 3843386.75 3761273 972642.375 6531726 420891.8438 4539181.5 11803916 1671052.125 86403872 8284864 2210157.5 917444.375 1737858 32250118 2567346 2384821.75 8857614 4546827.5 4579404 4921737.5 12869680 3026763.25 1765362.125 2179636.75 7886859 1076394.5 1557787 3162023.25 5378827 1782491.125 4063013.75 4561866.5 1716800 7008752.5 671355.5 3285199.25 8161762 2739041.5 7322213.5 1380416.625 1576316.25 2168913.25 5517676.5 2526201.25 3362106.75 20942858 4624476 4315718.5 905479.1875 4034310.25 9776953 1790334.375 6818626.5 3160656.5 16832824 8010845 1080291 13586838 5787550.5 9959643 2347123.75 15461810 7762346.5 1073030.25 457163.625 23380430 3082485.5 5002225.5 859655.5625 13729110 16403139 16220390 1408607.625 6611495.5 17565302 5778235.5 3717374.25 871479.6875 843155.5 4900872 875835.875 1146115.375 9095329 66470056 37431236 21414666 2968740.5 1606477.875 4782923.5 10226918 7693250 956275.875 9450709 4801868.5 3744368.5 1075124.125 2567346 1094209.375 10597819 23023862 2722983.5 3956290 606826.625 3171778.5 17974300 2869386.75 2417802.75 394984704 2471406.75 4125083.75 307563.625 485110.9063 49067372 2132993 1006152.563 56422372 2597689.75 1261047.625 1533714 1737849.875 157547920 1706177.125 10216950 1127816 5350076.5 1301697.875 548110.25 255908.6094 3601083.5 1488920 1175535.5 2482007.25 2517623.75 1220814.75 1940565 3104295.25 7515401.5 6300141.5 1505146.5 1145992.25 19105266 3254043.5 2633376.25 1904063.125 3803587.75 2588219 1441248 953404.625 2080637.25 543396.5625 3098702.75 1366059.625 4-hydroxyglutamate 995045.625 261623.875 411638.9375 529656.0625 172307.3594 1108106 1149664 744307.1875 531741.1875 1707540.125 1397525.25 554649.0625 321485.5 547772.4375 401918.1563 1062247.375 692898.125 2780752.75 780908.4375 562953.5 140236.3281 245135.7031 639531.75 819456.375 735286.5 230622.3438 685343.875 475196.9375 490862.6875 260677.5781 608250.75 200459.8125 882541.5625 518832.9688 478508.5938 1519984.25 1169850.25 252220.2344 602440.4375 633743 731259.9375 1334605.125 34994.1055 637000.4375 537449.5625 635349.5625 274167.2813 557798.6875 297970.625 279003.0938 1420899.5 527692.5625 350347.625 159347.2813 116211.3125 230240.5938 190021.9063 387920.7188 134724.75 235393.0781 246155 145044.9375 83997.7813 135037.2813 292991.9375 288274.5313 203036.125 102831.3594 256379.2344 172106.9219 269430.5313 149487.8281 127317.0938 335638.7188 235937.4219 145000.2969 153282.8438 195442.2813 245512.8281 83200.7813 193713.375 317337.0938 446178.875 236140.6875 128119.8047 92796.1563 103303.4844 523892.75 264767.25 130593.4531 200242.3438 239955.6719 214998.75 93776.5 78460.5625 306108.7813 310602.9688 143325.5313 153291.3906 298617.5313 197498.9063 23163.416 546261.125 299139.625 302650.6875 176766.7969 155104.1563 357030.5313 323164.5938 76813.7188 799347.3125 270015.5 208596.3281 115141.1328 170576.6094 266345.5313 147086.0313 139480.875 178251.6094 245031.0469 65898.8906 1160770.5 595025.1875 166768.9688 360166.0938 214681.9531 273578.25 210045.7031 159410.7813 479924.5938 228958.4063 372888.625 76445.3125 310528.125 174427.7656 336318.2813 224991.8594 303786.3125 171145.4375 140639.7656 140415.0781 124368.7422 176523.8906 210654 264192.75 521201.3438 78620.375 208822.0313 352639.875 270630.9063 95269.9453 243399.5 287981.875 455086.875 210627.6875 173972.2969 124071.6094 84362.5313 84113.1328 161376.1563 172842.4375 661199.4375 259126 641693.0625 440458.5625 479904.3438 200082.2813 137422.4688 178579.5313 327754.5938 328547.125 150506.0313 252539.5781 191151.375 278072.1563 1188833.125 745411.875 274718.9063 360830.9063 219653.8594 85611.1719 495355.5313 115120.8906 200285.7031 267642.0625 62371.6133 260200.0469 250571.2969 317658.5938 337725.7188 658139.6875 607840.1875 270949.4688 128488.1094 323647.375 257671.5625 181022.8281 164307.4688 260580.4375 248951.0313 304469.5313 275129.5938 62156.0313 471067.375 119395.5234 96472.4375 457447.0938 1149514 173583.6563 236412.75 118146.125 208747.0469 127653.7109 808388.8125 292702.2188 240766.9219 299493.375 249406.6563 420331.8438 490851.8438 212335.125 60167.5078 352730.0938 167561.4375 256628.125 556260.1875 111630.6797 529851.0625 222222.6719 159965.4219 255529.9063 gamma-carboxyglutamate 697299.375 501501.625 426906.5 899658.75 564394.6875 1117256.125 633527.875 603377.3125 563382.6875 1725272 717582.4375 770625.1875 562678.5 505148.9063 513581.9063 815469.625 675244.125 835537.8125 878496.375 859016.75 632023.875 905548.5625 970870 519105.3438 969676.1875 494287.8125 484443.7813 530604.4375 853914.8125 772829 663843.5 484657.6875 880509.4375 762289.25 835375.1875 495654.4688 827120.3125 1101631.875 560990 624468.625 575691.6875 1203800.25 636021 711135.1875 1070014.75 794662.375 959301.75 564292.5625 855833.5 676346.25 5488343.5 2540547.5 800034.5625 1693478.375 4248202.5 3986088.5 542188.6875 542856.75 320748.875 3488047 2095920.25 401880.1875 2294527.25 663634.25 6702091 397667.75 2089502.125 465203.9063 1129086.375 512080.5625 839528.125 725338.375 478329.625 474396.1563 12790338 1474831.875 414556.3125 855833.5 975979.9375 2267552 2597104 2177786.5 2674068 1839991.875 489608.1875 1150050.125 417673.6563 3045332.75 506994.1875 293576.625 555356.875 296905.2188 2126626.75 2442877.25 1543620.125 876348.5625 3468831 4417754.5 2812246.75 428333.8125 512944.5 642151.375 2870403 514196.6875 342713.8125 1906068.125 547999.125 442652.125 492398.75 466396.5313 603878.375 2904648.5 1187040.375 1060924.625 511696.8438 1369438.875 923702.75 6900426 654955.6875 785635.9375 721420.25 17338190 483501.75 1434010.25 1533913.375 485536.5938 811475.625 1165755.25 2354454.75 4640422 709365.25 9964839 646382 2561970.25 415515.0313 334177.5 1214169.5 555496.5 579767.375 4853255.5 857752.125 563747 1032449.188 1081580.75 454814.4375 444059.6875 574527.6875 626543.75 2362746.25 555810.875 1329470.625 1754733.5 308992.6875 3390146 4642819 960612.125 470799.125 552072.875 959747.9375 493835.125 922651.3125 683320.9375 905576.625 566741.6875 6085731.5 643222.5625 1671914.25 369606.0938 492658.6563 763565.125 692509.1875 616030 8876297 761676.6875 891161.625 697108.1875 1288077.625 805210 398470.5313 1405621.5 369574.75 4913875.5 603227.9375 6896399 1449119.125 901672.1875 2522524 813846.625 3328328 1839904.125 1580832.75 2732326.5 308652.375 928728.125 683838.375 12761136 636897.75 3327601 5562789.5 402952.8438 7573165.5 479549.875 1267551.125 1365655.5 458555.6875 557762.125 726254.625 378645.375 3938187.75 1030589.938 640272.6875 685336.875 466760.9063 1352640.25 2439082 689380.5625 666057.125 14344081 853660.9375 1606612.125 1736622.75 342863.4063 7526906.5 1450200.5 462297.9375 593148.6875 751442.625 1757306.75 1893829.75 815452.5 986994.875 1569789.5 603545.5625 3185869.75 2695070.75 926526.4375 779105.8125 6642588 11569397 423734.2188 2167860 1116522.5 1875302.375 1749659.25 1686030 601374.0625 2174762.25 1625016.875 2761476.5 8549056 403006.875 1499863.625 14252967 6909733 988241.8125 3450125.25 3488997.75 12636667 354635.875 1089478.125 2720432.5 668704.4375 267903.125 2043876.875 1534110.125 686520.0625 806017.375 2177237.5 3070637 1003321.125 2554924.25 445115.1875 8503597 242186.0625 527876.75 380478.8125 2184760.5 733404.875 572216.5 537614.25 852648.4375 300533.5313 1219681.75 10356698 2129703.5 2436924.25 4886576.5 714891.1875 4190637.75 1117282.375 439781.25 4132335.5 505076.6563 10774859 286336.9063 1360960.375 613773.125 446715.1563 18805798 3043435.5 norcotinine 55841.7578 326055.4688 169197.7188 443923.9375 53625.3203 980877.6875 75100.3672 99541.7422 516201.9688 273929.9375 96150.625 328935.4063 76540.6953 80515.6484 118623 303437.8125 204033.8281 170184.1719 288448.1875 187109 422923.9688 94134.2188 213760.5313 187109 180329.1563 252679.2656 hydroxycotinine 496791.1563 1179175.75 1561256.75 2688469 1955497.375 693521.5 3867566 2905455.75 542617.9375 554841.1875 50411.5195 627361.3125 665231.375 7682053 480915.7188 901825.6875 332966.375 1891914.125 291501.125 555268.6875 2666434.75 68765.9063 923800.5625 1249672.375 97414.9688 79825.1641 1257719.5 1089077.125 2184001.5 513969 499592.6875 762485.5 60694.3125 41812.4648 76074.1094 6091812 135452 501705.2188 374011.4375 3188352.75 88960.1328 266482.4375 1261175.375 2689418.5 518394.2188 1656849.125 6290821.5 2002202.125 777761.625 1239600.75 233973.5469 2012241.125 319943.25 1357918 1164255.75 5266923.5 2093084.25 80435.5859 831449.4375 78330.875 1014381.313 440432.9063 234809.4063 762485.5 712664.1875 1727219.875 cotinine N-oxide 160708.5625 325091.75 186706.1875 344304 159458.1094 186717.2031 258651.5625 431219.0625 99957.7188 77201.7031 194728.25 1590332.25 89289.9531 135745.9375 612683.4375 250031.9063 63146.6367 390496.5938 52061.0195 164405.4531 105356.3516 130891.6172 123819.3359 119638.9297 67427.0469 93744.4219 361854.0938 395185.3125 119623.0313 205388.8906 799327.9375 62855.6602 472727.5313 706319.3125 349832.7813 245613.6406 397903.875 152000.4375 123228.7734 79749.6328 879309.8125 89837.3047 1147360.75 33126.2773 182423.5 255143.8906 137099.6406 553081.9375 110074.0859 182423.5 105987.6484 730061.25 argininate* 957039.3125 1650914.25 2027015.625 942791.8125 944513.0625 2488823 1703205.625 1716642 2461351.5 5251781.5 2604168 1243837.625 3000403.25 1333286.125 2018799.875 1507883.625 1546717 1106493.875 2312977 2536148.25 1227534.125 1838217.125 1932390.75 1851327.875 3514403.5 459924.2813 1830020 1209836 2428831.75 1244091.625 1777310.875 1764120.25 1709686.375 1689912.75 2359209.25 1471333.125 1939323.125 3168455.25 2118786.5 965560.875 499768.2188 2992409 1660391.5 1520228.125 1117436.375 2534470 1186056.75 800198.625 1266525.625 1839974 7770977 7565801 2794554 1915830 6363663.5 1381298.25 1145885.25 1351711.375 307129.5625 5785284.5 5252078 2645420.5 34963032 1821812.25 6707891.5 632242.625 16451482 509572.625 10280717 2350272 12910470 1061356.25 2108219 1920479.75 6645471.5 4244415.5 1071734 2635458.75 4987269 4105065 7877521.5 10853647 12870311 15592595 668073.4375 7589536.5 587939.0625 25747488 809813.5625 683885.75 2409619.75 536992 4924301.5 14023250 2360842.75 4686338.5 36226112 3473706.75 7755727 727512.5625 2087931.625 2666958 5160314 1573880.375 1112389.375 2175566.5 2558559.25 729188 504596.375 1467047.25 1229891 1620453.875 1974703 1295602.375 1012831.938 2723978 1016714.313 15177203 2534470 2473052.75 11572633 15538495 1657525.625 14643024 4958942 2533116.5 1287386.625 6115713 2903148.5 13518470 2676824 4629642.5 1178076.25 8612985 1896740 334571.125 5801941 1320528.625 1747837.75 24213784 3385803.25 2192317.25 15564589 10581537 1416776.625 656678.3125 1077056.25 1239492.625 10069964 2613217.5 1664638.875 11336693 521017 4916273 8187027.5 1777065.5 521705.25 1638456.25 4331717.5 453396.0938 641198.625 2896718.75 5500194 1983351.875 8976348 12836673 4189225 5200403 6788832.5 5678972.5 3341043.25 2692103.75 3709829 1705794.375 1389015.375 1212460.375 8228621 2487328 886225.0625 1751850.125 592294 12489671 452957.9375 6121111.5 24856510 909313.75 8293217 1301067.625 8925442 7351063.5 2973700.25 8716857 728907.625 5029066.5 9648590 5787798.5 864488.25 8445151 26577810 829420.5625 5718716 927082.4375 3318700 8605185 1254413.75 3855769.75 2219249 2593680 6078621 13026962 4794170.5 744779.9375 848374.625 4753750 5888699.5 2106444 1625832.125 21290250 5870904.5 3316739 2581612 2019333.25 13672684 10201283 3111737 695816.5625 641897.0625 5509893.5 2875699 2924452.25 3706033.25 8343826.5 3133267 10233182 6229324 3703705 4160172 21977474 6204775 1282967.375 4100264 3420980.5 3195529.25 4168508.75 1592287 1227486.75 4091601 13325192 5786635.5 6532412.5 555781.3125 2077300.375 5531720 3916445.75 2666458.25 21346156 2476884.25 7624731.5 1323263.875 1322907.625 13859342 1147108.25 1165419.5 16940480 4326128 2323013.5 3470855.25 2721069.75 6268832.5 882281.5 8879395 2024681.25 5505004.5 650415.9375 1050848 228404.1719 2435204.75 1949651.875 1073851.375 2561243.75 1180007.625 615010 2429504.5 3647823.25 1781725.75 3180614.5 4937175 1013335.813 7636805.5 2865827 1581520.75 6487400 4483526 2612228 2036765.375 1578740 3531720 1085502.875 4727569.5 2719185.75 2-oxoarginine* 732808.75 797554.875 1454950.25 818291.625 1205827.625 568578.125 1896830.5 1291923.625 1586570.375 4840108.5 1852313.125 943503.25 2382234.75 507258.5313 1217821 1208637.5 1351958.375 1031701.25 1579728.375 1140134.5 615472.6875 855683.5 1110674.5 1026279.313 1781847.375 586540.5625 1035531.625 640255.1875 1235051.75 610038.0625 2012080 1391999.875 755602.125 1712541 1242730.125 1820696.125 1249239.875 2480054.25 1159049 576947.125 692438.875 712717 1118301.25 1037019.813 1257080.125 2770442.25 453719.3125 563261.625 670048 1328588.25 5682298.5 8089181.5 1002116.938 941041.1875 4668318 439375.7813 795795.0625 1349116.25 234323.1563 5042422 619455.1875 2216849 11393256 1056554.875 10835146 401569.8125 9695727 350881.4063 4277073.5 918393.75 13417234 310075.9375 1238891 794396.125 2555470.25 1341302.25 472653.5625 1009700.75 2217168.5 1831314.875 2236875.5 2157882 6003678.5 3316313.25 501593.6563 3723495.5 300689.0938 5067768 552026.1875 351753 951761.6875 550899.625 3584477.75 2908536.5 620354.375 2724367.25 61970248 996495.25 2589170.5 434426.0313 792848.9375 1438298.125 708418.9375 343138.3438 506246.125 884850.875 1330794.5 387069.4063 299846.0625 597971.9375 442025.5625 721894.0625 398106.4375 618154.6875 607396.5 1579676.875 388062.5 13048646 1558498.375 1793085.625 14721486 6925537.5 771446.6875 6106325.5 3842174.5 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973390.6875 1942502.375 5683717 6818033 4867250 426358.0938 213935.1406 1323898 1366897.75 2596658 1590586.875 2989794.75 1167313.875 5619870.5 8615421 3474188.25 2354922.5 3613358.75 1435729.75 1028362.875 1004772 2369430.5 1504080.375 1026445.375 2384703.5 391440.0313 2067882.5 7737071.5 1215404.125 2627457 249815.7188 2091259.125 2050855.125 1155642 1090523.5 16624725 680316.4375 4801839.5 841590.875 736534.125 16693253 530657 647477.75 9452206 1377065.875 1217004.625 1420932.625 521476.375 10497230 297819 1154174.625 1664047.875 2086686.5 407647.75 926319.3125 130436.9844 603523.1875 1173111.375 767448.625 1631513.875 1215227.375 571427.5625 739847.6875 637486.125 1912346.875 1555600.125 2287313.5 444225.2188 1994305.875 1067922.375 921520.1875 1955899.75 3827218.5 703906.25 819415.75 249809.1094 1177032.875 503599.6563 2054993.625 613056.3125 1-methyl-5-imidazoleacetate 547979.6875 413370.875 1354102 2775419 547998.9375 4591461 3014914 3018237.75 2220132.75 61161036 1219689.375 2366968 3866686.25 4194164.75 1273381.375 745906.5 1475024 2244487.5 2692445.75 1494564.75 2202099 3585351.75 3346555.75 489172.9688 9146309 1013549.125 5819848.5 1692676.75 3503766.25 4680487 401198.6563 997000.1875 10699875 7312746 3674343.25 996561.5625 1182260.125 7673018 868669.9375 4188127.75 422837.1875 3682770 1762315 1380724.25 1048477.563 1837154.625 959540.375 402088.4063 5408798 1264594.75 118617440 1446033.375 23786768 2067012.125 17134900 5898736 3772917.25 286746.3438 2190077.5 51915176 12839040 351503.7188 3017918.75 2570020.5 223698032 3287312.75 2692275.75 3216283.75 1164485.25 4189583 633566.6875 932960.5 389441.8125 171971040 3598419.75 1032599.375 609140.25 2407117.75 947881.8125 11099832 1369680 15096092 3832882.75 498358.125 650184 977078.3125 8828835 690040.375 1103547 348316.6875 911346.4375 3539446.25 18641610 858843.375 4949784.5 112842424 20959404 519635.1563 877893.8125 562922 3645066 3028874 654082.875 16220439 2265412.5 558431.25 6871402 212168.6406 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1232191 59719.125 65623852 618960.4375 4309924.5 319442.9375 431605.25 3956241 22891788 19262602 569708.875 92542648 1162013.375 2686639 6278449.5 238549.4375 106817216 5185789.5 565972.5625 2589654.75 1846137.75 51908292 2272510.75 3046535.75 3640625.25 4843528 1579318.125 4445909 12994557 219782.375 3251082.5 25812346 108772184 1133710.75 40563416 35959504 2281667 8070711 8398708 1364091.625 3091903 1723978.625 16493747 97543768 449690.0625 3440736.25 300522880 480572576 489793.1563 2548018.5 32568840 303232480 912842.0625 1007303.063 2366968 4806045 1409352.875 2981523.5 77686016 176314.4063 524832.5 3222568.25 1105684.25 3430374 2106362 1187026.375 21472660 201638.2188 657021.75 966435.75 6712200.5 274622.4688 399798.8125 3279150.5 773812.375 134639.4531 9281476 68805536 2328528.25 5570982.5 19008514 597396.375 8687305 3994324 1601555 21337896 842080.75 366277856 2366968 1541361.75 717971 128882048 111181064 S-methylcysteine sulfoxide 4883377.5 3984882.5 9381656 7315712.5 9175774 4294193 7494443 3759924.75 3485330.25 6278045.5 3854340.25 3911713.25 10416074 3410325.75 7800510 11977332 8537385 6306061.5 5963205 9188146 15695607 9657309 9986922 8206802.5 10519192 8587343 11946029 18539304 12848969 11065349 27573736 8993410 14397564 6201531 6873552 9181962 12321397 28635150 19292394 24046142 16748552 9848896 3323585.5 3180134.75 6250617 7405029 16108639 5422948 9531460 6512455.5 3273003.75 1130893.75 4306971 2163353.25 2271193.5 3812621.75 3656997.5 1051607.375 3153911.75 1348252.375 3265603 748818.25 210140.2969 1500156.5 1104573.125 956117.6875 1369087.75 2426539.5 1416943.375 1617899.125 2340932.25 1320167.75 1221715.5 517314.875 952728.5625 1052454.625 2757450 1288155.375 182208.9531 2442547 1019353.625 738951.0625 962647.1875 404179.4063 1284325.625 254820.0156 1661646.125 985459.75 596573.8125 1547283.875 1328384.875 1092768.375 616647.125 739108.875 2592537.5 1189926.875 922332.6875 4401916 541161.125 2248108.75 303482.5625 1489040.25 1526550.625 2324603 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2-oxindole-3-acetate 45774 169888 102693 305201 54799 39208 190130 49743 53930 30542 134381 168417 76649 117007 143398 61212.7422 41408.8398 40496.9688 64391.0469 69488.6406 33140.5039 245901.8906 104517.2266 150574.3438 256281.5313 59995.3359 144560.1406 39392.8398 173533.3594 217565.7969 50973.6602 72666.8438 206143.7813 94943.5 39077.1328 56392.5859 114624.4297 85117 34665 96654 647582 574221 33263 434787.9688 55903.9961 38646 250733.0156 143624 128111.0078 80404 133151 58286 71708 94903 60151.0039 817558 38393 84510 63526 122861.0078 113218 1130489 263066.6563 74274.0781 147312.7813 33674.9531 189076.3594 117961.6641 49583.5313 230256.2813 92725.3125 49965.6875 89809.9688 43159.75 312286.9688 121728.3281 127311.1875 406617.5 107322.8359 27311.7109 27774.2695 89907.3906 56733.1172 342824.2813 190993 110675.9922 154195.6406 36105.0352 587306.375 574018.9375 174841.1094 71658.7109 132719.1406 90348 191542 562719 846770.875 411377.375 60683.9688 1105826.75 100868.7813 227204.3594 59727.9258 82149.8594 165799 55918.0039 56469.8711 178522.9063 40634 444085.0313 86995 222924 75388 414359 593282.6875 64737.2578 662680.5625 leucylglycine 93231.8125 59699.4766 94447.7656 63232.9102 92365.3203 117753.5703 254609.9844 139653 355257.4688 77061.7188 140888.9375 197927.0469 165721.125 84015.5703 112458.4375 1247499.875 239068.3438 192409.1094 217671.6719 154404.3281 58148.3594 81398.9453 167568.3594 92777.6172 283038.5938 235158.6406 93189.9219 143701.7188 419191.3438 93658.3906 105295.1172 133507.5625 1749762.125 93749.8047 548805.375 214430.4063 20372.1133 132444.9219 76087.6328 81272.3047 118889.5391 58579.7031 321083.375 134252.1719 94045.9375 60792.5938 111789.0547 344217.75 111906.1719 224229.4063 122823.9844 455788.75 72555.4375 47042.2773 61969.4805 290457.625 36054.1016 100372.3203 46805.4492 284688.5 94158.9297 170356.875 66614.1094 356560.875 49105.2539 64900.5117 86021.5391 40987.4297 66681.6406 288960.3125 122985.7734 101243.3125 285550.7188 80966.8594 177202.4688 62550.793 106481.9766 1698457.25 154166.2344 242596.2031 113655.4063 142030.125 100930.1484 198415.4844 40315.1016 446410.8438 348225.7813 96936.3125 301884.2188 144775.8125 35141.9219 45602.6992 42331.2227 149316.8906 301945.875 175468.3125 129777.5391 69613.6875 101327.3359 335754.6875 197686.1563 131047.1016 619989.4375 152857.7813 134530.1875 227415.5313 208690.2188 120583.2031 360474.4688 139653 130310.8984 108909.6484 230678.1406 90238.5 67394.0859 581452.1875 302993.6563 212070.8906 152269.6406 359672.9375 229748.6094 142636.875 157191.2188 653113.25 330128.2188 278560.4375 120303.5391 88110.9375 65555.2188 170121.0156 348570.1875 107417.1094 85108.1328 541349.375 95001.3594 165721.125 81815.0547 114508.5078 355175.5625 119985.5078 494314.375 599131.5625 121669.9375 372871.0938 273937.5625 159076.7344 156933.3594 335298.9375 341856.7813 163870.4375 valylleucine 68359.3906 108958.9453 61678.2031 86257.5781 46550.1484 174679.1094 105575.1875 90745.125 53987.9219 59700.8633 91627.9688 105896.3906 106265.8594 61719.9805 66628.9844 94788 93909.7969 64372.043 59597.2969 41189.6406 180535.3594 95213.4453 87106.0703 60422.1133 83009.1094 95904.7891 142688.7813 53901.8008 139148.6406 172146.3594 62455.9805 70435.2266 54055.6328 79372.7422 73382.4453 112252.6641 66453.5313 175130.2656 165260.2656 67520.1797 92417.9766 733193.625 39633.1641 1196223.875 31594.7637 99311.75 57746.7305 41591.9414 329793.6563 39072.457 61667.9961 86334.6328 85521.4141 240503.2344 104201.2656 108374.0938 56423.8594 79839.1094 221230.1875 432113.2188 168727.2656 53098.8789 138553.2344 48542.0703 114376.0469 105607.5703 46950.832 32530.6504 99457.4297 331927.9688 47895.5625 67115.5234 211288.1406 78606.6172 220953.375 56118.6836 205897.1094 70498.1953 211288.1406 107187.3359 47734.9766 46919.6211 164088.7188 101691.9844 125766.3594 271502.75 111385.5703 54135.375 103027.7969 102132.0781 110407.3359 86751.5313 72604.5469 199276.0781 69674.0156 88485.7188 94788 42304.3398 125166.6484 143747.1719 59672.3711 647893.5 112952.6875 86537.7656 98222.8203 144309.2031 38383.6016 58795.6758 122438.5859 122935.875 115781.6719 76723.4063 101090.2891 190546.4063 184076.0938 152601.7813 91018.9844 146384.5469 120045.9844 62541.5508 1141306.75 188939.1719 163924.4063 112757.6719 77062.4766 112287.4219 48165.6328 43999.8516 159771.0938 87230.1563 carboxyethyl-GABA 83037.2813 68136.8203 141606.4219 97318.125 153698.2969 206243.9219 142322.5469 131437.75 79920.5703 354122.7188 52573.5742 128973.6719 165210.3125 119365.3594 150785.5781 179965.1875 194068.2656 207147.9688 153953.0781 203798.4688 98448.1641 128781.5156 161072.2031 74564.9844 367757.0938 118187.2734 244034.2031 128662.6328 183059.8906 146639.4844 117732.8281 144395.1719 220474.9375 127581.125 246493.4688 100005.4688 120923.8984 83829.6328 134082.4219 129984.3125 111528.0859 153568.625 147416.1406 162042.3594 172412.3438 210849.3125 362416.375 135090.4219 211175.0313 141928.0781 561894.5625 717681.0625 254846.7031 295752.5 245230.7813 447898.3438 158017 177537.5 134440.1875 856338.3125 268667.0625 166990.4375 571566.3125 143926.6094 1124122.625 399135.5938 122784.2656 116445.0156 235988.125 108784.4453 144344.7656 617297.875 197223.0781 174050.0313 105854.7969 353034.1563 625889.5625 498540.3125 389382.5313 588962.1875 301070.9063 341835.3125 60886.7813 458460.6563 150329.3281 135560.9219 142751.7031 77271.1094 853533.1875 590291.1875 300651.0313 466575.7813 1899782.75 633785.4375 307085.9063 118926.8828 231536.5469 123441.9609 210354.3906 101651.2188 115350.5391 559528.625 241233.7344 95957 143172.4063 107911.7266 144805.25 531282.6875 208162.0469 196033.7656 70384.2031 187916.9531 245291.7188 609941.1875 225099.1094 124217.3359 1336648.125 105004.1016 83467.2891 192087.5313 347094.4688 120918.6328 133427.7969 428266.0938 197475.3125 747630.9375 206970.0156 819827.1875 118959.1406 117141.3984 255843.9063 111936.5703 213638.3906 900376.625 215918.3438 232166.5625 382441.5313 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232757.9688 386335.5938 187923.7344 2714337 2475028.5 3348562 1630641.75 4622459 2168313.5 2892715 287949.1875 391558.8125 735537.625 1361901.5 254269.5938 217219.5938 1630299.75 682910.4375 117828.5703 274698.8438 150962.1563 291205.9063 9317376 728391.75 561348.0625 283021.375 543536.25 696204.4375 3562601.5 470855.7188 733978.25 1992065.25 7612612 295840.3125 3169886.5 1593946.375 1769068.5 504158.3438 969351.6875 6305443.5 5364068.5 726817.75 6547338.5 401580.3438 2876554.25 288024.4063 173768.8125 857891.875 322648.1563 210551.375 5172989 733788.4375 288720 1131290.5 741415.6875 85703.6094 148872.2656 317173.625 2044827.125 499607 711419.75 1742086.75 1807974.875 4306213.5 626602.375 81287.6719 644259.0625 996101 133065.1406 75013.0938 200784.5938 647893.1875 360186.1563 4885632 528117.75 1234461.875 288722.0313 615684.6875 629505.4375 1357802.125 480578.4375 4145457.5 244569.7813 385500.4688 703285.5625 918466.8125 728983.125 560122.0625 516328.7188 5523230 576569 4504243 1208424.875 625795.25 1875478.375 578287.125 2122567 1791639.5 1048649.125 2097766.75 1462332.5 268099.4375 5650568 110917.5313 2684855.75 3705534 6299287 169450.2188 906622.3125 733386.875 141350.4844 376855.7188 570895.5625 2186042 1002958.5 936313 156162.8594 72326.1953 1097024.75 1147845.75 603565.5 233961.3906 3936460.75 1153748.375 961448 1011516.75 7894017.5 1310865.375 568822.125 904593.4375 311784.8125 1692232.75 909131.625 1621748.875 636579.9375 902846.1875 440430.4063 3989953.75 2896010.5 858338.0625 842042.25 4687406 5605869.5 104260.6719 971627.375 2323906.25 860402.5625 1616758.75 713989.625 152664.5938 1528998.375 1766042.25 1579370.875 4835210.5 206850.9531 1155647.625 19925468 3242742 648163.875 3432760 1355817.75 10525848 461915.9063 2216083.75 397378.9688 2827459.25 1501200.875 488375.125 418867.7813 1193879.5 1268472.125 539775.3125 2280025.75 285349.5 4227097 50146.9141 261050.6719 860677.8125 311124.5625 633387.375 717611.1875 240265.3125 1728410.125 8889131 1236252.75 1314192.375 3796379.75 289095.625 1566753 1267675.375 281948.75 2969949.25 883510.25 3253250.25 1569483.125 744570.1875 578687.1875 401082.4688 6533475 2169485.25 (R)-3-hydroxybutyrylcarnitine 1394428.5 1430536.625 502858.6563 1611798 359731.2188 5132180 334906.4375 1285529.25 3200522.5 922490.1875 3175271.75 800856.5625 462370.7188 717467.3125 2331216.25 554380.4375 2539778.25 805501.1875 433789.9688 4514662 2876086.75 1663049.375 2004605 288107.5625 3141889 1814041.5 907645.3125 916809.6875 403351.1563 338904.8438 1380433.875 603440.5625 369988.4688 988124.625 1359367 704400.25 295254.75 889376.4375 124347.0703 128090.7031 1887245.375 2967327.75 198967.625 1373821.625 316473.4688 45075900 18621838 1002001.625 58972228 26378344 59680452 12982385 1925272 3158029 24018536 28245464 136738416 7265140.5 8109894.5 13549094 5358812 865206.75 25649270 2845735.25 11242745 3084396.5 3069978 52271788 116145832 31790996 2157790.25 13633729 62335136 15968219 16644583 209707216 41299876 38106016 4188240 65585596 3427813.75 13195431 51517080 8684228 7596114.5 3004758.25 52935428 36703556 10788444 27963840 5718745.5 39952164 21865232 1956514.625 2459534.75 10408946 58351176 21765838 1575517.125 6861918 8655432 12774160 4512996.5 5074670 13817237 27506474 14267048 16129863 3873914.75 22785722 30170138 70160856 107358896 10079762 6517581 22868922 460461.0938 17564242 10875071 15440181 81021984 7916185 6985786.5 31769060 10406385 875243.5625 7645397 29658096 33888112 20475718 60512280 9902348 997303.875 48012588 1218232.625 38621072 28777236 2746227.25 1788430.5 586792.3125 23707708 1710149.25 6408309.5 2385909.5 5242076 18294894 22203786 13495274 41410176 16602037 13983972 7624904 4901177.5 1069774.125 6448936 12638459 1406153.625 22885158 14379292 3194095.75 21747624 23187590 7882618 1914159.125 25081464 2112248.5 115071088 71450832 543633.1875 2564602.25 24765286 5558287 10956037 3789421.75 8197877.5 2268863.75 4762562.5 144365040 77827064 3620279.25 2749399.25 8304581 11006281 7287098.5 59699164 9904086 43272716 6588681.5 4921644 56332472 1890326.125 15125586 1491254.25 9589181 27387960 1039658.125 30085968 12122523 137424 1073151 8522246 4362054.5 7634382 28497224 17310892 648858.1875 85573360 18152688 14125262 3621803.5 2609082.75 18376420 7793053 7557847.5 329567.5938 9790809 72797656 8021259.5 37263768 5222487 13353830 12020554 2760603.25 4097646 4225302 48534224 7596114.5 28325270 14811327 1897131.625 9974879 41558908 27459772 1685160 2962930.5 8575495 18487260 3374874.5 1750038.5 6135406 17945876 8448588 2109801 2700952.5 338492.5625 4240823.5 7083799 1230589.625 13655935 158560240 10596761 817240.4375 720541.25 8003146.5 49892248 4103980.25 2379704.5 199365472 5255022 27049174 11438160 19024680 13779882 7283052 16654140 18622742 79799416 31200240 4979418.5 10697246 3826444.75 11613692 920529.6875 3348234.25 1745689.875 9198129 5567902.5 4014921.5 9507390 7084024.5 4356345.5 2071558.5 29179092 4741042 3748085.75 779505.75 4043630.75 5308031.5 2638577.25 20178046 8087063.5 10236091 13192896 8317750 N-acetylcarnosine 2044469 874706.125 2510127.25 693485.25 934589.375 1594754.125 701047.875 2039798.125 3611840.5 1530877.5 3919560.75 867342.5 6178144.5 868310.1875 3450694 2787232.75 1673356.375 814770.3125 1789260.125 2851095.5 1361185.625 1044361.063 1587916 3718793 1240521 1339324.25 1280213.625 2798907.25 2855553.5 1959189.125 3363036.75 903971.5 1616339.125 5312066.5 1263541.5 720849.875 1567594.625 1674085.625 1418529.875 2043949.125 881651.4375 2015306.75 2582316.25 3066401.5 2704445.75 1186923.875 1237956.625 1514314.875 9373215 3476697.5 3053599.75 121868.7813 4144701 2014561.5 1262308.75 1166613.125 8151693.5 4612058 2129899.5 13110407 1290082.75 6618794 578008.25 4656630 448054 475000.7188 2883125.75 7541090.5 1146560.375 2162836 342644.7813 8559306 4715525.5 1481088.5 1119467.375 2125251.5 5821689 9238876 5572161 4055458 3764489.25 1517498.75 827600.6875 4349963.5 313865.375 196476.75 1098164.125 499250.6563 6598308.5 5103336 3170047.75 1188932.375 17491104 11618627 7440876 993451.375 997137.3125 2616943 2961019.25 880471.375 4378913 1362134.375 1224811.5 1387691.625 769766.4375 1897773.125 3102591.25 1366804.375 187709.6563 814162.6875 490889.7188 7702883 2488130 1303492.75 7892452 3846017.75 724052.9375 6933974.5 1696054.875 486341.3125 1186905.625 1522666.25 3963024.75 14830273 770983.25 10384664 748144.625 4694684.5 2203568.5 817444.3125 3614323.25 1797739 613568.625 4714732.5 2154121.75 1202305.75 12258668 3479834 375594.1875 867568.3125 1145032 4701307.5 1917707.25 2569870.5 2959884.5 331517.4688 4137413.75 1223486.875 520439.7188 860699.1875 4300685 2035075.25 1576310.625 2020073.875 2347704 1405429.125 11436199 2044988.875 4940244.5 1255780 1498292.75 2915251.25 1875960 991794.5625 8429493 1174521.625 1955031.125 2222446.25 2772907 1323526.125 1138251 2835830 502662 5401496 979135.8125 4537423.5 7547631 969656.75 5287227 1203130.5 7069060 3047295.5 3828598.5 12782391 1651873.875 6511021.5 1292830 3333463.25 1391501.75 10544888 12124375 2478170 10768080 93261.5469 1046543.938 6127910 586058.5625 1411541.375 1015254.375 761931.6875 1644755.125 2227784.75 2447550 623533.625 812842.875 1830158.5 4211264 1327518.875 659212.875 6982760 3699425.25 3610641.5 2122934 1433528.25 24280188 12488025 1456858.75 2639667.75 1136219.625 6327400.5 2337000 1057421.75 1578489.5 6697672.5 944611.0625 11162434 9299986 2513677.5 2781937.25 23464234 6113124 1828901.5 3048347.75 2653609.25 2735073.75 1792044 2290702.25 5602340 6827656.5 5155250 13163486 789011.625 8447047 27517672 5110437.5 16039205 195008.6094 14359507 353955.3438 596375.75 17859684 1336134.125 1840472.125 8645078 4614232.5 266453.25 1675094.5 2539411.25 3778960 734960.875 1920894.5 2294671.25 5096238 183464.9063 5309787.5 1164591.125 2007744.75 1220169.375 1606930.125 356574.5 1059922.875 4349282.5 2445425 6174847.5 8229164.5 1329227.5 2904463.5 4462885 2561545.75 2149528 1556672.375 17345904 969056.6875 1671388.625 2053862.75 49376680 2623985.25 histidine betaine (hercynine)* 1283776.375 485184.1875 67776.7031 543880.125 412275.7188 603533.625 840661.5625 923540.75 78180.3438 1952801.75 2146656.25 726924.625 634986.4375 803625.75 949074.6875 1293360.375 446216.8438 2619559.25 1401242.125 3280085.5 4770341.5 1895284.375 2034390.625 963864.5 558104.3125 1753114.5 1736878 137043.6719 1318618.75 5307852 1639555.75 778587.0625 2619232.5 3146272.5 237695.9375 1387886.75 424961.0938 2926243.5 515619.2813 745905.6875 2901535.5 314555.3438 2710167.25 1640830 282245.3438 861930.375 494409 455837.6563 2193763.5 1156662.5 998083.5 2909910.5 287755.4063 478163.9688 613678.5625 510458.8438 237301.8438 3329506.5 1257230.375 544716.625 523324.4688 2608416 252777.5313 434956.125 8098654 149236.6563 1904339.75 2631326.75 835370.1875 373341.25 694204.3125 2629738 577911.5 3932256.75 228947.0469 2988154.25 406935.3125 1258088.625 199894.9063 1778356.625 523831.625 2439683.75 7408794.5 1185942.25 880398.5 1926983.375 1415056.625 492556.6563 1037054.375 657077.5625 979423.0625 1663130 885972.5625 778555.625 3394339.25 859445.4375 682811 21412810 1215753.125 653561.125 887684.9375 1540214 272696.0313 1475011.5 374689.2813 2254476 3100703.5 2154110 3098774.5 446516 170400.9531 3038069.25 1574770.25 1749094.125 688364.625 753987.75 857904.3125 943567.25 1184134.75 906865.8125 538843.5 2372655.5 1208128 2946200 560819.25 441085.6875 2996762.25 2791964.25 166520.9375 801131.125 2540885.25 437605.7188 322611.3438 650548.625 1319030 615461.5625 444765.8125 1121624.25 2939360.25 1690437.625 665611.0625 122846.9375 1269223.5 105601.4922 2242666.75 5185971 328906.4688 587224.0625 918033.3125 833588.125 271501.875 1764780.75 1273180.75 452806.9375 1305864.875 1372308.75 788605.75 8737998 2100921.5 85775.2031 830412.1875 1056294.125 dimethyl sulfone 188182.2969 273214.1875 815064.9375 275990.125 503792.4688 354582.0313 173923.6406 1102554.375 268882.3438 488978.6563 279686.4688 98153.7188 263771.0938 236261.375 270020.1563 200799.8438 431426.125 170117.6406 1407507.375 168145.0469 507458.2188 382790.4688 586807.5625 222582.2031 859776.9375 217551.875 163932.8594 885109.875 171094.0938 121876.4766 349538.5938 148007.4531 63001.5898 255788.0469 165855.3438 602839.25 1551361.75 499571.2813 8148880 950610.125 3309247.75 332137.5625 533843.125 116468.0625 168886.8281 243479.7969 112521.0391 139538.2344 2823946.75 145188.0313 2333089 232333.9531 685778.5625 344384 221971.4063 102001.8438 384550.4375 656362.4375 205603.6563 773613.8125 460989.1563 270358.9375 329329.2813 406605.2188 337209.6563 1223828.25 298385.6563 521302.9375 218064.5469 160048.8438 357343.2813 104086.4922 295471.625 686576.625 527698.875 122054.2188 318871.7813 141956.7813 204503.0625 939655.25 366002.0625 228143.0938 110966.1172 596636.125 1022438.938 145032.3438 308441.6875 86593.6641 244856.5156 656662.0625 297903.9063 8211996.5 372498.8438 283330.9375 118751.4844 149790.1094 395533.75 1908104.75 200058.625 427522.1875 176339.3125 122849.0313 73030.6016 129908.8828 238598.6563 85761.4609 175759.4219 123981.4063 865860.5 61205.0313 426315.4688 677544.625 546811.5 86374.7891 195982.0313 176933.375 831835.5625 291403.625 139393.6719 787148.75 541954.5625 305100.625 209810.7813 552483.5625 1793510 1456368.5 1161960.875 210670.4531 1401457.875 905132.8125 735680 547615.4375 148000.5313 403198.5625 344384 2461217.25 846995.625 273000.7813 193808.5156 203292.2813 863360.5625 332017.0938 551138.1875 298426.75 1052496.5 982093.3125 831999.6875 308079.4063 273984.125 769634 126694.2422 275090.125 1775393 205820.6094 344384 789623.375 224119.0313 224471.8438 1147626.5 1484077.25 76224.2734 132146.2656 2886664.75 561694.625 1197900 1756816.875 1160436.25 585877 123941.8594 172640.9375 1418017.625 884563.3125 499202.125 1654580.625 249410.6094 348454.2813 279598.3438 1482725.625 410162.25 161915.1406 503322.5 118151.2578 1382335.875 279534.6875 598309.5625 1294464.375 656595.5 900215.3125 433420.6875 491851.5313 1483383 175573.5625 136245.9375 475916.9063 371397.7813 717318.6875 941230.875 2-piperidinone 25046284 15788969 17959228 6315953.5 92156512 18287118 50987028 67261872 86012816 42107932 29928440 68588528 12180368 176418016 24729390 41448264 25101696 31825210 53107168 9031181 12305121 14718251 87567544 35524076 33336078 48848856 48466864 114677344 49839260 6616563 29989724 17505064 58507288 67099012 54626624 68634920 130552552 5980398 60656308 141620704 8399439 47959596 49527772 36899924 49231780 44629468 186542144 6464872.5 146954304 16418571 34197572 284296128 5116770.5 17384046 179343696 23984686 87185376 45971700 179127520 3452409.75 3536082 83763168 37759996 7865252.5 13316946 53366948 7455165 18446084 111100232 7254151 9385853 3368561.75 9947526 9189169 5364790.5 24097408 14177027 13165786 25587702 10460082 13268338 6473389 24924154 34380480 143462032 51942912 72711720 13602236 6336477 124048088 14237010 3113042.75 21986070 6922690.5 2458964.5 54026304 43079888 29293314 47230356 21962730 12650391 4955142 3594120.5 13360642 11206690 24464114 131078736 68531104 68154632 1488931 11746221 3672358.25 1495527.125 19620536 63234588 12723423 9239032 29322472 34320348 104373144 14953289 40627228 16505365 38201216 6960943.5 108125872 228159680 80758504 13486161 80561768 13647450 40698536 49833588 433036640 114156664 1003682.313 2263200.25 12890999 9557072 11916872 28344602 70145440 22072036 17767326 61676184 115453688 5809734 34673420 10308251 7313641 970191.875 12865062 9010799 68724976 44550168 166289072 3813754.75 57860956 20732206 1878610.75 1548982.375 999752.1875 21900104 126341632 5180667 31558226 11053308 17455118 2010094.5 13093351 3095789.25 64888912 198008000 30865368 12786307 74404056 9779376 17193388 6246587.5 48677844 41211236 175176368 9815919 57693812 21337496 64705348 107186536 3503577 2593566 27758560 291373248 6072145 97865656 28043884 130538048 189037600 18471608 43249392 6129959.5 70232656 167979248 70939392 21366586 13931574 2002811.75 5483060.5 3565154.5 9453236 22806844 11439303 8405747 50647280 199565392 201147440 4487330 58104876 7347496 131250280 1112414.75 26643494 9499173 112251888 2916694.25 68199968 5059171.5 10587341 6776989 12142078 74027800 71650320 18794330 1018145664 11955810 21986070 194580128 33818856 36324060 8083926.5 10191275 7392936 3905271.75 9502711 10335920 7086276.5 13420426 12890068 55247084 46060560 13783632 7975444 3610793.75 104115368 9201140 18597476 8334294.5 11491595 31939166 44860300 7637831 34779352 187036800 12294843 27661244 8350278 10210213 50590596 31157508 5799701.5 51353652 77274024 5126618 18502170 72043368 7857777.5 17782086 65062984 14364005 12404225 116763808 42643716 254217376 4328847.5 14749263 29987908 31724714 17655052 26498444 4083257.5 1788280.625 4738375 61867000 91570656 127661496 6476044 1668490.875 80808064 13582120 967866.875 12858940 61299404 N-acetyl-1-methylhistidine* 145298.0469 376378.7813 190205.9375 217297.25 172419.7188 432296.25 99636.1719 145973.5938 209349.9844 373531.5 172272.125 259693.5 115588.0156 152042.625 214423.8125 358035.9375 199604.6406 162327.7344 224055.2969 93198.5938 382352.4688 544374.4375 634613.625 66343.9609 354098.4688 245444.25 231558.6719 276120.6563 73415.2031 137618.7344 179803.5 325691.5625 243101.375 41556.1367 236394.75 473119.8125 232273.7188 159996.6563 63537.8125 781326.875 129257.4141 295589.6875 350738.1875 302078.7188 1137035.375 89818.8828 67045.5625 162889.5781 4962882 1137999.5 417728.375 789708.0625 518116.875 1480934.5 163288.3594 87902.9609 57965.2148 10447291 581737.875 40951.5508 3497766.5 242983.4688 4288683 2292563.25 113358.1016 988046.75 218073.1406 1217083.125 85727.0156 806122.9375 6919701.5 2116645 126882.6719 295388.2188 877409.5 4325682.5 1201117 2779546.5 1767612.125 22041.9473 670167.125 72119.7969 3355459.75 132958.4375 52701.6289 78684.7266 720999.75 4666499.5 1228740.5 358358.125 2262534.25 7549575 3726914.75 37026.4219 984966.75 2381787.5 127974.0156 48578.3047 4026813.5 330512.8125 155703.7656 161443.8594 160626.625 785527.375 2378946.25 411257.9063 681686.9375 313829.75 157065.8438 708504.125 1658348.75 415675.5938 69496.0156 5554222.5 105957.3672 2022953.125 3879956 102582.9688 862410.6875 867633.75 3351897 2671809.5 8592528 191669.4063 1532705.375 105583.2734 716179.75 81237.0234 76848.4219 4876014 502759.125 109910.3047 576504.625 421330.3438 84495.0313 113647.7813 11148782 275502.6563 1722448.625 1397943.375 442851.875 302402.5 6148840 637495.125 1031686.5 259093.0625 357615.75 412073.6875 1238773.375 90893.8281 8710621 339222.5938 2925291.25 96458.0156 373388.4375 703809.5625 181637.3125 255018.1875 3791535 151819.2344 79990.4141 132423.9219 775714.125 119905.7031 92846.0313 516347.5625 7896603.5 141900.7969 12397709 2773406 216715.3281 2677606.25 113628.7891 1050344.25 1984722.875 837579.4375 2551674.75 111253.9922 472099.3438 843569.8125 26018514 162167.4219 1564314.625 10068939 396317.5625 23844478 534986.375 228377.5938 51684.3867 132708.8438 10051108 585275.875 433295.6875 307055.0938 38072.8594 4445087.5 2149015 162407.75 83716.0391 14326915 353227.125 483203.5313 3514476.5 17992362 7520846 255639.7188 114713.4297 197222.0625 4253288.5 1218786 336288.3125 1398151 259692.0938 79828.2188 1977602.625 1992184 551374.6875 295057.7813 8512562 18809486 137928.9063 2917074.25 2000022.875 494392.75 1746060.25 482665.7813 795701.375 1557004.25 644712.75 976376.875 11080897 125518.0703 1487346.625 41582040 17799942 280914.125 2164172.25 921732.375 4842779 59898.9883 186498.2656 2050708 281645.9688 164989.7656 11040037 625984.5 336262.1875 3466085.5 1695500.875 372972.875 5872743 121578.5 8927690 30878.5977 2156319 171807.8594 188379.1563 96018.0469 296056.1875 184794.75 2186131.75 5057714.5 752676.5625 1414506 626290.6875 174539.1563 1214483 389636 215797.6875 28723502 186433.1563 3985862.25 34023.1836 202050.75 13538116 3530721.75 indolin-2-one 298629 50212.6797 762406.75 384863.4375 542028.0625 709971.0625 416334.9688 725664.4375 177794.2813 389165.0938 91811.375 115756.0078 110796.2734 191627.3594 175898.9063 962329.3125 240686.375 1608824.25 270012.6875 396944 306850.3125 642390.8125 537385.8125 627370.125 227442.2656 374643.9375 318561.9688 644071.6875 181542.2813 650635.125 220409.8281 133599.9531 499563.1563 223137.625 203694.8125 143930.4219 433894.0625 346057.125 1076691 123543.2109 476432.0625 389603.8438 1511309 158273.1406 347485.4688 424977.25 370891.9063 2546815.75 108328.5781 699972.625 98969.7109 699300.875 185699.4688 295885.4063 3578045.25 304796.75 509670.25 207396.7656 1054787.125 1253835 170764.6563 228867.8906 173581.375 109816.4063 457803 380121.125 346032.75 202220.5781 290161.25 195919.25 118847.6953 578269.1875 666663.25 466144 868489.875 418620.375 32982.75 77077.3984 657300.5 341170.5 167834.8281 414178.3125 172925.2031 702327.1875 69701.6484 323909.375 102179.3594 435531.4688 573477.1875 1936106.875 235048.2969 378221.875 2480137.5 563399.6875 460237.5313 1314531.625 265366.4063 366344.5938 753376.4375 2472338.5 6707634 150306.0625 667636.3125 138724.0313 163970.5156 1637702.75 691801.0625 89201.3594 159597 310924.0313 302608.4688 288294.75 2470330.5 499371.2813 615644.3125 108736.3516 34180.9102 159363.0313 1493972.125 186041.2188 197012.125 148109.1719 488528.625 1732910.375 99316.7734 421988.9375 130126.8906 562905.8125 2486813.75 329359.0313 1625865.5 213170.0938 880584.5625 144935.4844 795451.8125 746759.6875 683311.3125 185893.8281 177700.8281 2084148.125 332752.125 1473410.125 1257645.125 258130.8438 7066083.5 212888.5156 531467.6875 39570.2891 1091810.125 776364.5625 233953.9219 631961.8125 173961.8281 165376.3125 157016.25 169913.9688 1787874.125 190979.0625 531944.75 177957.0781 2648378.75 690998.875 392978.25 1083437 1351360.75 939862.6875 244647.0156 528772.5 473864.9375 2230491.25 731642.8125 965941.125 3476022.25 139152.4688 118565.125 571338.0625 803788.8125 606426.6875 198936.3906 1870519.375 942574.125 661860.4375 4902692.5 227613.0625 317962.375 5368790 5464184 177868.9531 294076.125 565933.1875 4671006 115759.5156 379116.6875 4754777 396944 820254.5 412752.9063 184909.7188 433574.6563 2011938.125 763148.6875 178229.5313 270493.7813 153154.2031 1635534 109825.6953 645782.1875 379517.0625 176804.6719 96678.4922 696629.375 400909.75 2888837.25 1172250.25 1193889 683501.25 61635.5977 269540.3438 68704.2344 3788021.5 136768.875 1929517.125 297063.0625 642093.0625 3898610.75 1204366.75 S-allylcysteine 3751336.5 1258001 3329306.25 1322452.875 836531.25 882913.5625 5628091.5 2922399.25 14770699 1267782 7119588.5 282439.125 549844 272475.7813 6864500 1113101.5 1070748.25 2838279.25 8736009 3193581.25 1917107.125 3539990.75 1491708.5 4215010.5 212142.5781 1212546.75 2961812.25 3355402 1735773.75 1060032.75 11997188 1121020.375 2947853 2340563.5 3390903.75 2326439 4960382 2257062 328278.1875 6465591.5 810596.4375 1638995.375 4623010.5 656300.4375 549844 3856639.25 1944543.75 1333559.625 877953.9375 4698521 2497884.5 905810.3125 7607111 2447206.75 849761.6875 30736.7695 581099.0625 226415.2656 54820.8203 53063.5117 1361317.75 1418442.5 184862.3906 78016.0859 2426125 749487.875 72884.4219 454162.5625 566936.3125 447711.625 62754.582 304403.5938 357167.125 117167.3906 151449.5313 58264.1836 505567.7813 710553.375 1020099.125 201096.6719 72666.1563 138202.5938 92207.3125 376706 179222.1875 273619.5625 351836.6563 123168.3359 174137.0313 370210.8125 1469171.25 216151.1719 167371.0469 151714.2813 1495959.875 421046.75 1737148.375 397733.7188 669558 2880465.5 781638.3125 537029.5 96591.4688 862241.0625 381554.4375 740475.75 425214.125 175736.7344 76317.3594 299030.375 279345.7188 59643.418 1159658.5 218156.5469 212007.0313 136874.8125 154696.5625 196870.1406 77825.8203 369272.8438 1695872.25 1211559.375 651238.8125 1546797.75 721453.875 241610.4844 1624927.125 47823.1758 195599.2188 493480.5313 1886120.875 183500.4063 385002.9063 860497.5 291852.4375 562658.5 128566.4375 93976.2109 1499182.375 165294.375 82613.6094 154972.6563 567058.3125 443380.375 207068.7813 508640.25 284685.6563 426518.625 2286623.25 1207928.125 562866.1875 348789.8125 234294.5 809425.375 884914.625 3280119.75 1036349.875 585470.1875 202032.2656 502628.3125 483100.3438 274069.2188 233084.5 760358.6875 1432423.25 2201874.25 4985481 205554.8281 129222.5391 778392.5625 1776545.75 222173.3125 420344.1875 88586.5391 102520.1563 43772.2031 49872.9023 535454.75 173486 176361 8104802.5 291915.4375 214379.2188 115025.0859 346353.2813 719133.625 3090277.5 13482706 500814.125 360249.6875 125122.1563 5919318 260153.6406 2342885.75 256882.7813 1627044.75 374757.0313 2006615.875 303558.25 72837.8203 2-aminoheptanoate 2531732.5 1936391.375 2837902.25 1590488.375 829870 1643814.5 1658212.125 2010317.125 1978873.375 10453779 1927557.5 1731104.5 1380546.625 4068702.5 991766.125 1962449.5 2346878 2071926 2007087.125 1983418.875 1051450.5 2133583.5 1514147 1651160.25 2186605 878604.8125 2162404.75 756416.9375 1333275.5 1385841.5 2265790.5 795435.25 1242270.875 1981712 1609228 2006123 1572590.875 2759120 822333.25 1201432 4038639.25 3236568.25 1251980.75 1469893 1736204.125 1748873.25 1330937 1393666.125 2939451.25 1505729.25 781584.1875 5055730.5 3786559.5 1167268.5 560292.6875 3699101.75 1374837.75 1516272.125 1388843.75 2865001 1399799.75 458333.0313 593790.375 621437.9375 318284.8438 1049130.375 926112.375 1330937 5601050 516356.6563 747391.0625 693800.25 1632751.875 699591.625 478861.2188 1912794.5 1316554.5 923854.3125 490684.0313 2085100.375 2416039.75 606844.6875 346016.4375 1444249 1902029.25 515614.0313 1615048 1896196.125 556906.4375 2355116.25 2458763.5 1064327.625 578943.375 1520561.25 1056327 907402 529910.75 1280768.625 3843790.25 859065.8125 1103279.625 1118047.625 1716561.5 1640738.25 922046.5625 3600020 814558.5 199840.1094 975009.75 4007049.75 4299428.5 1003497.313 1165790.75 5718119 837850.4375 1008426.75 800730.5625 618150 238462.875 1010420.125 1081784.5 1021651.625 935956.0625 4184164.75 184519.3594 555323 869895.625 942098.4375 1338978.625 4532559.5 894279.6875 3383125.25 1527514 2364071.25 708375.1875 635010.375 252855.7969 430106.9688 2003645.375 824364.1875 3422789.25 395127.75 1723690 5421217.5 1641470 1647618.875 762276.125 460194.25 787884.875 1680432.125 736448.1875 503955.9375 369454.5625 790451.875 4130029 1578104 463917.5313 808113.4375 864260.375 1331219.625 805506.9375 416157.2813 327676.0625 1240334.5 2841221.75 380787.25 744143.6875 1095364.625 349926.2188 2681195.5 1159862.875 1917145.125 1386933.25 1428238.125 4073764.75 4060716.5 2532555.5 705626.375 679948.0625 1014440 763532.0625 1356745.25 2514761 2309151 5979986.5 1677786.125 614419.25 1829969.375 650783.3125 2020840.375 1212559.75 742735.3125 1176779.5 865478.875 1683582.875 1828767.875 2189902.25 1424237.375 1411545.875 783176.8125 1652085 3047384 666543.75 3822416.25 863659.8125 703948.5625 451657.7813 265686.5313 2108546 1091069.75 6723866.5 1525725 381954.75 1831928.125 1368808.625 1354161.625 898618.25 12085035 2595217 751620.5 4720906 379259.2813 4572507.5 1815762.5 8914683 749738.0625 2283195.75 356055.8125 1330610.25 1224583 1271104.75 6384340.5 541367.125 1343877.625 1330937 590822.75 377818.375 1466226.875 953101.9375 1201913.5 1149622.875 2104337.75 640093.5 1497505.625 4573050.5 380178.6875 1009498.25 725821.125 2578137.25 3479554 1062344.25 599532.5 283807.4063 1117339.5 515377.0938 1219113.75 1236727.625 979380.8125 1477571.125 522198.625 743426.0625 221728.6406 756357.625 484926.3438 803061.6875 1502718.75 1857835.25 1844561.75 1372438.125 1674953.25 437384.1563 891292.875 1005672.125 2188954.5 601897.0625 3501012.5 455081.375 1519455 613823.75 3149810.25 1205794.625 1480343.375 2518646.25 1425484.875 2127488.25 4596744 446406.0625 3018958.25 1492981 1191196.25 3621905.75 2158704.5 2298920.5 1640170.375 1020894.375 1519802.625 547468.3125 1021257 549728.875 benzoylcarnitine* 476554.375 217286.125 73554.7891 246454.7656 226731.9063 136111.3906 92973.1563 153907.9844 444457.3438 208674.1719 480650.4063 222646.5938 125035 1446234.875 2161635.25 845829.75 166122.25 590404.0625 543440.75 564570.125 757930.0625 1824697.875 1388920.25 390468.625 689795.6875 438631.5313 160429.9688 228412.4063 529124.875 543255 2514283.75 2586345.75 114800.6875 311299.875 174146.0156 656172.125 640051.0625 68949.8672 351518.375 118623.9219 399526.5313 66571.9609 1273911.625 1865066.375 236217.5469 1038351.813 875314.6875 302290.3125 1817629 358964.5938 775823.4375 434291.75 500037 256188.0938 1730492.5 1198361 93525.4063 429786.3125 135437.7344 258795.3906 1156008.875 646422.1875 1391637.625 105378.4531 235301.5156 1826169.25 194470.0156 145208.0938 973487.1875 1314585.25 120506.0625 377173.8438 1147848 247083.9844 754338.8125 371396.625 2666198.25 271923.7188 2592857.5 500037 388205 821336.6875 1879399.125 745082.1875 236422.3125 295854.3438 4280896 728648.25 618623.6875 239624.7969 3350372.25 703993.0625 1005462.75 1354347.625 1861667.75 495778.8438 136331.1719 2196492.25 616507 1594199.75 491841.5 1150438.875 342800.6563 242868.7656 1361210.25 1877705.375 4060879.75 826167.8125 17312442 607543.8125 123404.9063 535512.75 1088074.75 192426.5625 668217.4375 99527.0781 70542.2422 374818.6563 1535270.375 324792.5 1331917 508232.4688 412882.5313 1420374.25 217171.7813 382505.4375 methionine sulfone 766701.6875 1506907.25 2455097.25 2180672 2144490.75 5093587.5 1227245.75 1965637.25 4152389.75 7340155 1368808.25 1820199.5 2059448.875 2285489.5 1243295.875 2509555.5 2352282 1670446.375 2316987.5 1766557.25 1565306 2927159.5 2429768.75 3579685 4585508.5 2824381.5 2341695 1434290.375 4572837.5 2659319.25 2809832 2857072.5 2571410 2585859.75 3066865.5 1361641.375 6235506.5 3702215 2922252.25 2783385.5 875844.5 1903652 756731.625 2682616.75 1867216.375 1538973.625 4860624 1462941.25 2864528 1369382 11106742 6225770.5 3578285.25 6784353 6341054 2627271.25 2679153 2513310.5 1875461.375 7875858 12665961 3301354.25 4076407.75 1870114.25 3644479.5 810451.25 2093471.125 2723301 10972663 4486734 5956261.5 1216016.125 2145147.25 679613.625 6931702.5 2614280.25 3343826.75 2039028.125 1211713.5 4233566.5 2764957.25 6617701.5 3558368.25 995493.75 4674821.5 1703406 1189220 1825084 792904.375 1114353.5 756520.5 675492.625 4139166.25 4956381 5088092.5 2601964 4687000 11726780 2507886 1002756.188 5088701 2204869.5 2818832.75 2679288.75 574172.125 21388828 1621905.875 528597.1875 2349352 899350.3125 7626365.5 10634876 3466541 4863509 2443088.75 3101593.5 5252108 3097010.25 1224335.5 4061679.5 1560750 5518410 1716152.25 5332516 1511884.625 902734.5625 2656485.5 6970678 3497762 5450194 563329.5625 3457296.25 4392938.5 4776034.5 774091.6875 903349.375 2184186.25 999965.5625 1761069.625 8749190 2827321 1567483.625 5395670.5 1239377.25 1375412.25 1975023.5 2078953 751810.4375 5388274.5 1864352.125 3516871.25 2119062.5 1978940.5 6871179 11518413 5313360.5 816804.5 1609445 2293712 1565628.375 2135344.25 2650958 1367910 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1790200.625 4351437 8464882 6744216.5 2083259.875 4569722 1233762.25 7732269 1111260.875 4917232 5345794 5851289.5 958676.1875 4743217 1914758.25 3747010.25 3441825.25 7994989.5 2615797 5368973 8375355.5 13503895 2982203.5 13939092 8880840 2922181.25 5869554 8328870 3848138.5 4629891 2821239.25 1860561.5 3086843.75 2861824.25 6455193.5 fructosyllysine 20716570 19736182 13441797 25855652 5486804 38910496 9805817 10205240 7263146 22043028 15088287 9461829 4683328.5 3482784.5 6745930.5 9734998 4270197 28041578 5176337 8200891.5 2288255.25 14129058 38939248 14729752 8526121 8993414 15880743 5512602 18427554 15825342 4800753 5411999.5 11521302 8629713 18263130 3622317.5 14260802 11842152 7919065.5 11165725 4132593.5 10538809 8804872 7056382 18863130 3318576.75 4606032 3908923.5 13838849 26150144 14562178 12548927 30210416 15634037 15054352 14578283 12583543 25503628 27771334 20330164 13145288 20150154 28448220 13776563 10252376 7652325.5 28545332 3197676.25 9468558 12604996 15828649 8197500 5416879.5 18095004 14422552 18789366 3714249.75 13876491 10491573 20425514 25927172 26680972 13295465 21732716 9878939 25457640 5650648.5 12871262 13817578 13914559 8959805 9464193 25526200 21763456 12429839 20161792 7394123.5 19816540 11089638 3565835.25 2352244 10408835 26835002 11391881 10737596 10938858 14635061 8412903 4310663.5 3264530.75 5569670.5 10990587 14810678 8532258 3058337.25 16391085 3944736 10810680 12903704 6941419 9873536 12527069 2758249.25 14571025 8181102.5 11117579 6778602 8256334 6356529 10816887 13420904 5642235.5 28424466 39738652 16894620 17581682 12786596 16060948 12028633 5072332.5 9412546 20800304 128587600 19104054 9231102 7414535.5 13751044 3935017.25 13945534 5293491 8968635 21821756 13548153 3803348.75 4469972.5 15716567 8173045.5 11052422 8891828 9740589 10602012 14705457 8986510 18779714 11691561 13365705 10281857 17586082 3770592 9394703 22118644 10318198 6420450 27914418 19229472 6124709.5 26958058 14070154 12368998 7217890.5 13107565 11592133 3228809.5 9745110 11488483 7200929.5 10100336 13964810 13607305 10947901 16121862 11302608 6889625.5 7091080 6199814 13099212 7189823.5 13624866 8072958 4625568.5 6823704.5 4875077.5 25114308 19441946 5278187 13156842 15238110 9973815 6656317 10737596 11522966 5386511.5 8280861 4907613.5 11294144 18739224 19493276 6498162.5 10873178 10331675 7036133 7215488 10148568 23331204 7404472.5 4569386.5 5890156.5 13471977 6415081 8983408 8111837.5 39523812 19102444 14427147 9663570 4415738.5 9855184 16387057 7691118.5 3314712.75 9349634 11667411 10269062 20524398 3737237 4470435.5 3136336.5 63812112 10669551 12646653 4694853.5 11330966 8438898 5235463.5 45214960 18882024 26053254 6928399.5 8688875 11467467 12439457 18254876 2773648.5 6374750.5 9230900 20860296 4352804 3498486 4051134.25 21168154 13323966 14828884 6315567 11965275 6099821.5 10047985 19717574 15569037 3828380.75 34896576 6749076 5268459 13343528 5298864 5339870 4979754.5 12984415 7333341 2264375.25 10582501 6254954 4945517.5 55404708 11618738 7702633 14956251 36584160 4568059 6556812 5024152.5 3-methylglutarylcarnitine (2) 298440.6875 267495.7188 772071.3125 373818.25 933275.0625 314571.0625 172078.4844 633807.4375 372379.3438 887151.25 388450.75 534502.5625 542003.9375 359913.4375 318396.7188 229167.3125 429707.75 310771.5 217975.375 943198.9375 989407 573063.8125 357385.6563 267192.6563 553853.9375 325260.9688 484945.5313 44143.1484 1060203.75 864382.8125 141867.3438 479899.3438 1429095 911139.1875 600444.625 197904.3594 1144627.125 534530.5 288369.0625 418514.0938 938237 804477.3125 1050924.875 2437563.75 466848.7188 76456.5547 938237 393859.6875 53069144 6558135.5 1000947.563 3232763 4985444.5 5104784 368738.0313 243979.6719 195605.7188 28473644 5484118 184847.4063 3560536 413084.0313 38222828 156020.5 8590117 249910 1183721.625 866581 7557456.5 153986.0156 578032.125 105786.6953 155978416 1287228.25 467795.0625 404696.0938 916113.25 2667108.75 7811573.5 5274776.5 4271153.5 2401850.5 87012.0781 208320.1406 72356.4531 10293377 251828.0469 312546.2813 113120.1094 4505073 6390904.5 2571740.75 503747.1563 12033793 23012142 4124202.5 84685.7813 1281486.875 3486945 691222.375 139335.6094 3642914 708071.5 111923 121122.2266 407382.8438 95309 1183389.625 1464242.25 404679.6563 85363.4453 5136195 5288471 12956708 833199.25 274308.1875 712095.6875 52538980 234217.7188 3284882 2212353.5 113774.6406 388578.375 2564831.25 8523358 9105308 324742 35692140 1125591.625 5168082.5 66656.9219 148908.5781 1272036.875 122396.3125 564288.75 37306616 229833.0313 91567.3672 752718.875 915732.9375 188067.2031 809983.875 127689.3281 5363608.5 21831592 798120.25 716869.1875 2457983.5 240335.5938 4497319 22032758 1241584.25 735875.625 960193.0625 2864495.75 228787.75 1349397.25 437993.125 626209.1875 121338.9141 28783380 546386.9375 4977263 721626.1875 455140.125 910139.875 150897.5313 18560290 563702 721433.8125 892928.8125 2869598.5 475402.375 45968.7852 1690436.875 607320.0625 26206054 1211413.5 117641992 1753057.75 1331534.125 6630280 495403.5625 9379053 12827682 1474973 3573342.25 2525393 894500.375 109357032 409116.875 14796214 19185238 993160.9375 63388292 178649.875 2031694.25 1118279.375 408528.9063 197947.4375 226902.5313 133173.5313 32220906 1293708.875 830350.1875 335348.5625 73270.1016 1451915.5 16086512 511826.7813 226029.3281 95979456 1056321.5 479618.2188 6297030.5 68184800 2288821.25 1721663.75 597662.75 1008590.75 6079509.5 4274477.5 1917736.875 4346200 557628.625 455621.625 6412060.5 2458404 4156788.75 824677.25 15652234 99599584 113732.6953 4481098 5428493 2326820.75 7767541 2958344.25 874169.125 9839256 1037796 4568930.5 18616406 295444.9063 1465300.375 67215688 29182344 581614.75 6646433.5 1959723.875 36587896 947319.1875 3613159.75 685585.9375 349682.6563 3498060.75 6034121 846236.125 1218215.5 4485632 28014088 1500014.125 6439604.5 252264.5313 18984992 306160.2813 190929.2813 20506656 310260.25 826912.9375 142791.8594 1440986.625 194733.2656 6707388.5 12930918 33973572 3153194.75 4724894 1837381.375 837037.625 1438511.125 201603.9531 10468537 20071830 387592.75 2201517 431254.375 260388.5625 163512400 13444177 phenylacetylcarnitine 242973.8125 517474.9688 813284.3125 959331.375 632447.8125 1952298.375 356739.625 1006412.5 641378.9375 2781975 1795285.625 6708975.5 899992.6875 521505.5625 262923.9063 228999.2188 473399.75 465460.4688 1649139.375 241817.8438 518217.1563 3779949.75 329622.1563 822158.5625 2865224 495141.8125 2892680.25 287128.9063 2614728.25 685522.4375 729971.6875 500013.2188 4977974.5 1991171.625 1341983.875 812849.25 518005.625 631149.0625 1422447.5 915263.9375 1407701 2286741.25 361152.375 474461.0938 2727134 562636.8125 1138410.125 1619583.875 5343336.5 772436.9375 3754826.5 540328.875 3316669.25 5592701 968708.3125 552675.3125 3110241.25 907605.75 466948.5 9088686 2954586.75 8142390 2970204.25 1829546 1468780.875 661037.0625 9912566 2726586.75 962243.1875 3803723.5 1159815.75 411941.8438 37769.8984 3642318.75 2008388.625 1948231.875 3414247.75 917206.875 2039431.5 507070.4688 2616299 3313523 4132751.75 4646414.5 1455810.5 2830213.75 3505118.75 3352793.5 4592081 4604255.5 7788597 1866636.5 56975.5859 24498644 2629268.75 672200.5625 151855.3594 28109520 412215.5313 2812283.75 184483.2031 723044.5 8371003 4350736.5 3609693.75 2958194.25 3783312.75 1458196.875 6835370 1145493.75 865484.9375 2322744 2014935.5 993299.8125 4391892.5 8949510 16884168 8719971 1188996.75 1412682.5 1656648.125 3014191 3533768.75 23471642 7789314 335844.5 1496809.625 3595781.75 2124435 799379.0625 1605337.25 1827604.125 992157.3125 3125178.5 9202400 1454256.75 1923448.5 27569444 847231.6875 638915.25 1770095.5 3182601 13452126 1617450 545227.625 10246002 1080522.25 4551244 698437.75 3578233.5 596389.8125 1540859.75 6883992.5 3899606.25 4818619.5 3149674.25 2370092.5 436807.625 1578009.75 4723163.5 4907865.5 2802243.75 13017357 2034209.375 8744165 4122516 1331479.75 271703.3438 7255644.5 592579.375 4111271.25 3440788.5 761584.125 2663762 961883.6875 2899739 6866737 908891.5 13979968 1665322.625 5350420 3411905 1770522.5 5747031.5 364921.5313 677676.5625 7292788 637637 368752.5313 366513.625 1759383.125 927616.9375 1829546 3215382.5 4211524 3520215.5 6339903.5 2035700.75 314573.4063 3155710 1829546 2040404 741267 2177181.75 14790881 1295842.25 225828.6719 1600315.625 333855 2676622 7230846.5 197101.2344 2359055 8776731 2405188.75 15495714 954145.875 5199218.5 914038.0625 662829.4375 2448760 973278.25 1538373.625 5583403.5 3472370.5 1215279.5 1920539.5 1219992.875 680690.1875 2083015.125 6449590.5 1785552 603527.125 1526370.5 889272.25 4314443 7554326.5 4456472 1919941 5697979.5 3212226.5 1705452.375 391388.25 3228683 575115.375 5327905 171486.7031 827060.75 8019351 671946.125 442901.9688 1273550.625 8337211 5276636 135877936 1792037.375 6949389 2658583.5 317504.3125 2471567.75 3714414 5847586 380800.5625 5812369 348031.2188 6905666.5 2434924.75 750872.1875 974897.5 3256588 862925.6875 15924797 2270847 3736723.5 400977.5938 3185210.75 3977654.75 628765.375 1077589 814624.25 3034487.25 742229.8125 1539393.25 1060126.75 1256954.875 1335170.75 1515717.25 188500.4688 1792956.75 16379264 510494.0625 3343887.25 4485278.5 N-carbamoylalanine 202364.625 126080.2266 63771.707 77925.6172 53274.457 92884.1641 355394.0625 123373.375 96110.4297 183926.5938 28337.2188 65107.8438 77091.6172 69084.2813 96865.7813 121158.2891 182485.0156 88392.9766 164762.5625 206258.4844 63929.7852 314336.5 115626.2969 156715.9063 390877.8125 169943.6563 111086.0938 167072.5 120263.0156 61696.582 113010.6406 125715.7656 93373.1484 55769.582 191495.2813 160330.6875 714761.125 389398.2188 81519.2031 116983.0703 305903.3438 792228.75 444890.375 58491.9688 1233053.5 411018.4375 158488.0938 41341.6758 216437.3125 2097909.25 206104.25 260828.9531 310619.5938 401973.1563 604246.125 277772.6563 334173.125 93499.5156 43080.5547 815591.25 423043.7188 63491.6875 1278266.25 412014.0625 415728.625 81542.5313 151440.9531 54438.6055 505462.5938 67354.0469 79001.625 326280.75 278732 119283.7188 106414.9531 930298.75 222897.625 2410874.5 72534.3984 268646.125 222532.0469 167770.2031 427417.6875 1002726 72601.6172 635509.6875 249073.2813 253730.2031 246625.2656 76328.0625 526192.5625 170132.2188 290346.9688 215966.3125 541509.125 70685.6406 155169.2188 56822.6133 60086.6133 1224337.75 103621.9922 1267281.75 230377.1094 421304.4375 86810.3516 263030.5938 963272.625 1312646.625 361014.6563 250291.1094 310823.8125 334132.6563 207214.7969 140309.4688 216270.5 75120.3359 134584 1530277.5 68707.9297 552871.3125 524194.625 2451157.5 210330.6406 372736.125 53950.332 143046.6563 875013.25 256278.9063 216270.5 111844.8516 187418.6406 1666577.625 251577.4063 1356978.875 64284.207 260096.0625 547608.875 216103.6875 278359.5 161353.7656 807378.25 330834.8438 186985.3906 666830.875 1025477.188 39043.4492 273946.1563 222997.2188 154217.4063 188257.75 147470.5313 551816.0625 359217.5313 1354796.125 41275.125 237220.5156 2713965.75 1844998.875 88355.9297 428107.4375 1834735.625 61539.0273 512472.1563 501638.2188 251768.0781 124827.9141 455743.6875 415295 909743.625 81423.1797 356132.0313 106807.3203 45576.5313 201867.6719 1138494.5 119157.5313 352199.7813 392914 630277.5 73702.0078 113954.7188 880811.5 77150.3828 1185169.75 149627.8125 108905.2266 1128639 550682.625 N-acetylkynurenine (2) 331328.1875 487122.75 123022.1328 147679.2813 117183.6328 150392.8438 168511.875 138051.9531 86666.5391 195242.5156 79150.0313 179210.4844 124199.0391 93499.2969 80918.5781 100949.0938 59588.0625 79849.6719 214729.8594 185076.125 221511.5156 269897.9688 184138.2656 96371.4609 50219.9688 55096.0977 83821.2891 205449.8125 216971.7031 249191.5781 103225.7734 124586.7422 100479.8203 114235.1172 224257.9063 64710.6758 178567.1719 121288.6641 621651.25 1040759.938 64441.4063 82038.3984 1504777.375 656610.625 337360.4375 165487.0156 58420.6758 367821.1563 83424.0781 296025.6563 2902547.25 120957.3672 529862.375 130601.3672 1457900.25 325383.2813 82147.1094 150897.9219 2609108 153708.375 812805.4375 942487.125 1031458.313 90100.3906 44171.4805 1099190.25 202378.6406 1760309.25 169363.9844 283000.2188 278599.9063 236752.0625 40601.8359 89469.0469 1292580.875 251935.9531 341745.6875 912820.6875 3175314.25 1104895.375 1575830.375 55000.332 444901.6875 172584.2031 1099837.5 88493.8438 33216.3633 541793.5 115105.3828 113612.3906 60294.8398 513330.0938 544788.25 149377.1563 171759.8906 294478.6563 101947.3203 408042.5938 321681.0313 251745.3594 426596.8125 378622.2188 76861.3281 584730.125 2588248.5 108934.9297 247266.4375 118617.0469 755753.875 1660495 565238.8125 1640974.25 92130.6094 667528.9375 311229.9688 149807.625 145453.4531 216199 2030293.375 164995.375 203504.1719 877496.875 756443.375 112773.1094 2108615.25 441863.375 181470.5625 617512.6875 60145.8203 3508998 260621.8438 100541.1875 67500.4063 125687.3359 256284.5625 595099.375 328483.9063 417070.4375 201440.4063 187845 154108.75 390712.7813 119586.4453 75913.3984 3378076.25 132627.2344 361683.8125 87713.7656 103067.8594 136366.625 113578.375 92811.7031 4299984 113483.1406 1380255.875 532540.1875 88532.2813 1536037.875 162735.1094 829305.6875 260134.8281 369438.5938 130841.9297 3425629.75 2197450.25 149109.6563 6501270 2157603.25 31486.9297 1298436.875 133216.7188 303181.0313 448382.7188 250115.7656 501383.9375 449018.25 642968.625 245249.6719 69055.0547 936090.8125 208140.0938 200665.2813 220858.1563 1419461.375 188420.6719 995734.3125 141728.5625 4927670.5 857000.1875 163753.7344 335298.0938 211211.8281 1322514.25 434700.4375 124633.75 1575215.5 409953.9688 1549324.5 392224.4375 104767.5781 165272.625 272873.4688 157505.7656 40303.3477 120287.9141 66335.8438 417758.0625 72750.0859 1195514.875 1680735.375 151789.4219 153102.1719 3392834.75 69288.125 493200.8125 100552.0391 577247 313407.9063 193885.7188 1787850 100386.0469 546609.1875 153564.6406 63270.4102 665862.9375 75444.4688 470829.875 157828.4688 128047.4219 62902.7891 350052.3438 189756.625 399333.3125 217668.1563 259280.125 318987.3125 150062.4844 190005.1875 516842.5313 82338.5625 141088.4531 783509.8125 220727.9531 N-acetylglucosamine/N-acetylgalactosamine 1571923.875 1244451.875 1210670 1619515.875 1246758.75 1984979.5 932448.75 1546349.625 1476544.625 3549173.25 1462177.125 1671982.5 1398279.875 1080969.875 913001.9375 1514202.875 1084067.75 1954994.375 2118487.5 1871817.375 1524303.75 1862829.375 2181260.5 1563509 2156055.5 1343283.375 2092672.125 1266138.5 2296843 2104787.5 1588430.125 1182183.75 2529108.5 1264155.5 3192640.25 1109701.25 1652356.5 2301714.75 1312301.75 1852551.5 1636934.875 1662860.75 1590814.875 1757397.125 2572138.25 1777096.75 2447402.25 1419041.25 2331146.75 1535144.375 12793275 18256874 3600304 6765000 16430273 8000046 2326864.5 3049376.5 1786509.375 8597710 8220706 4609047.5 14662666 3639723.25 17651182 2194190 16040075 2588326.5 6821515.5 4039935.5 10685670 2653221 3323959.25 3731613.75 7666920.5 9039516 2140885.25 4343677.5 7259762.5 7829336.5 10240810 9490955 10875896 10038795 3402829.5 5466775 1951835.5 10815539 4190779.5 2205718.5 4095201.75 1688941.375 10925073 7706187.5 7308943.5 7220942 13320035 5771047.5 6794003.5 2060260.125 2294045 4619605 5633003.5 3099344.75 2653792.25 5200649.5 2983781.25 2023382.25 2418131 2082891.375 3696250.25 7232613.5 4168765.75 3755073.25 3906503.5 5279982.5 3928797 15291635 4553843.5 5466785 7701993.5 12855066 2119616.25 5063076 10101053 4458983 3280008.5 5032339.5 6337146.5 12514076 4950414.5 9381926 3184214.5 15680528 2733900 2527469 7738509.5 3062322.25 3463571.5 11472673 4769296 4213309.5 9514979 8513074 3060128.75 2690452.75 2700259 3243083.5 10897210 4255232 3846625.5 12101121 1444598.625 12923813 9007214 3864685.25 5590932.5 5258034.5 5705039 2612084.5 3164873 3558158 4169774.5 2703750.25 17692496 4510394.5 5621872 4283662 10301316 4100061.25 4405848 4172212.5 6888492 3585181.25 3415758 3839933 8287496.5 5648645.5 1782454.5 6013448 4545778 13319355 3732764.25 8344806.5 8602900 3264011.75 7315083 4455480 23106900 7672537 5284320.5 10204310 2142754.75 18663608 6045814.5 15935177 2877018.75 8631438 10888509 3361126.25 6397821 2508928.5 13150651 6148404.5 1846396.375 4025586.25 4641768.5 2849379.25 4192761 8105053 14902609 2834591.25 2949897.5 8902286 6038147 3643797.75 2571391.25 12786032 8954433 5518762 4003719.75 3992552.25 27107876 10167667 3153035 2227480.25 2858932 7400555 4192761 3954777 4341047 14336797 3388631.25 11793681 8499104 2487579.75 4824274 11535573 9203583 2428477 4971183.5 7112378.5 9264242 5461580.5 3652597.25 2625385.25 7359807 10744562 6171757.5 7933098.5 1533589.375 6487097.5 9221999 5581935 4134641 13238508 12077011 10726370 1933285.25 4375394 15024030 4334353.5 1504435.375 15442205 4618085.5 4609943.5 3599430.75 4301003 18556900 4419026.5 12449886 2515787.5 14318257 3396934.25 3760738.75 2607921.25 5833841 4087562 2319645.25 4051460.75 2317496 2468952.25 5222246 7913469.5 6539882 9593673 9017024 2666003.25 18801098 5029591.5 2757801.75 3923814 5934619.5 4804831.5 3250521.75 5220342 4260386 2925011.5 6264694.5 5400463.5 adipoylcarnitine (C6-DC) 401781.2813 344299.1875 296418.125 2677580.25 211165.7813 475739.25 394211.375 354430.8125 358607.5938 3952213.25 920608.75 954219.25 369627 213309.8281 401162.0313 493894.7188 633496.5625 449980.0313 424061.9688 402179.5938 823289.5625 650494.125 211142.4844 1218749.75 400707.5625 717076.625 576022.1875 358773.2188 707834.625 512187.3125 592025.1875 176218.3125 1605482.375 627874.25 519590.25 610916.8125 205239.7969 620418.5 251039.2656 918946.5 604282.8125 578791.1875 268783.2813 496197.6875 577577.375 425207.5938 206091.7969 247831.9063 498073.5938 246215.5469 24224330 10924842 1950917.875 12957278 38407272 14224275 385107.8438 1828963.5 796422.4375 16907902 15748633 5214195.5 10025430 4201802.5 99559640 1993798.125 6062403.5 1661608.5 3178237.75 5588520 12711265 2926240.75 964407.25 946490.5 43191428 6119108.5 2648705.25 2365451.5 3761432.5 31503006 8788793 22005182 6480285 10910176 2017478.5 2394518.25 1777961.25 7621736 2230768.25 991890.4375 2028514.875 1179847.5 9063516 5078053 19060462 9496888 37377748 15898118 14023420 3307131.25 1185928.875 5419943 16965286 2707268.5 815430.1875 6923809 1475709.25 2374152.5 1579798.375 1352867.875 12034221 65201256 6443824 1132257.5 6799999 4474685.5 7503629 51315108 2965195.5 2810890.25 6366573 57291508 959721.75 7946759.5 3218309.25 4055293.5 2722453 1908806.125 10659271 23586116 2149289.75 5724877.5 2435588.75 17779448 2276359.5 1091118 10476363 2627495.25 2837405.75 89251920 6865289.5 1846065.5 5956329.5 1151083.625 896692.3125 1570895 2153014 1732918.75 9787238 2411112 6287460.5 7867996.5 2845393.75 7930306 21271220 9784226 5658819 5385071.5 6856394.5 3765009.25 913561.125 1779523.75 2012470.5 2804297.25 22530072 4067053.25 6211400.5 3504481 4335305.5 1110690.625 1768021.375 1790666.125 15164859 9662775 948353.25 2703109.25 9650938 3844836.75 872012.0625 6458375 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28101610 17266402 20295550 9412672 2441509 32413066 13496499 1342918.5 4057287 1873626.5 17136948 1366705.625 2764080.75 1065596.375 4106330.25 57534036 10264581 4-hydroxyphenylacetoylcarnitine 183064.4688 46148.2539 194931.4844 109979.2578 79208.6328 506491.2813 50889.6914 1546858.875 964797.0625 229854.2031 111408.0469 95864.6641 204909.2969 70079.5078 352071.125 131705.9219 180791.5781 680699.8125 535403.8125 63167.6836 220132.4531 371213.9688 95175.3203 242581.1563 210397.4531 291076.5 142140.6563 126806.5156 379996.9688 281133.8438 257008.2031 309706.8438 270408.875 222553.8125 298593.6875 239671.7031 372127.5625 487984.3125 2562574.75 560975.25 1061429.75 2547866.25 1017519.875 502685.25 333188.25 534935.3125 683895.8125 4295643 1098280.875 934525.1875 443100.7188 3016171.25 365611.75 450863.9688 53956.7813 6308340 422274.9375 1325195.375 121293.0234 191803 305311.2813 3072649 319500.3125 688553.625 546585.1875 2819304 2165558.75 5676766.5 2111333.25 778287.125 594600.375 1178197 356332.9375 7549354 681889.1875 494496.875 362030.5 1535915.75 883694.5625 1135006.875 2227427.5 2081851.875 1064055.625 853889.3125 134754.5938 133935.0625 486181.1563 3750775.75 71515.9766 550574.625 2605938.25 1609386.875 189716.5938 116661.3125 673347.875 78600.125 502897.8125 1190499.125 254335.6563 34197.5898 380050.9063 991328.8125 1978336.75 699088.5 2563966.75 3263013 3865520.75 115451.2031 5859441 1663794.25 708918.1875 1193045.125 3588098.75 695907.0625 1052878.5 815639.0625 2511792.25 572988.6875 6125583.5 2657238.25 71891.1875 1831712.25 325057.375 95023.5313 497096.4063 92797.7188 857124.3125 2315101.75 105621.9063 2765207.25 980126.375 2875857.75 3766605.75 1852102.75 1275055.875 1856418.25 775047.625 201599.875 766513.5 334516.7188 2219545 1170616.625 1035338.188 295291.3125 1062320.875 1251426.875 217142.8594 447864 591161.875 278731.9688 683969.3125 1174908 162752.1094 5541235 627157.25 3057368.25 4398718.5 163094.5469 4052237.25 615729.6875 451945.25 802258.75 4382391 909532.0625 520391.4688 1255928.25 2003110.25 292823.875 7211523.5 623596.9375 1315283.125 134439.5781 4651053 70618.6094 467161.6563 136978.8438 2261570.75 743584.6875 2401807.25 101823.5859 368410.2188 1197088.25 874595.5625 553542.9375 1526410.25 1155026.375 2006151.625 784079.5 328900.625 5764286.5 5508506.5 56669.9883 131175.6875 8321665 1627695.125 3157940.25 2502177.75 699088.5 377461.5 3718416 8578645 904741.6875 663159.875 1324296.875 831540.25 159027.8594 304717.9063 871643.3125 1544451.125 501132.7188 1398804.875 483656.5938 3087148.75 1772641.625 1056122.875 2289981.5 47852.5313 673798.3125 1289696.625 1727434.625 851287.125 2736001 1327337.375 82521.1406 432764.2188 7381783 164098.6406 137249.4531 8016860 865248.3125 898060.125 467466.3125 551268.3125 1643507.125 195209.0156 901205.6875 3262423 654592.375 739178.5625 367644.4375 199844.8125 114736.8047 204202.5781 2948796.5 1340298.25 3068328 1909589.375 198931.6563 699274.9375 723757.1875 187592.5625 1016372.688 8042436.5 6389043 295463.75 5575201.5 1091731.125 262274.625 2631565.5 2138821 suberoylcarnitine (C8-DC) 443711.9063 229428.9219 310658.125 800775.0625 156140.2031 378418.1875 206969.4375 159938.4531 139752.6406 7277908.5 316607.8438 665586.6875 300497.5313 89649.9766 169224.9063 397781.5625 339789.1875 407530.4688 343825.2188 288818.9688 1808727.25 925268.9375 234538.2031 1684221.375 209050.2188 1847891 659872.0625 432173.125 494984.75 296355.625 394195.4688 115623.7031 2079262.25 465949.4063 113771.5469 147122.875 193037.2031 416684.7188 236082.2344 225369.7813 278746.125 446831.1563 154951.2656 173381.0156 391105.5938 123289.4219 332532.6875 130050.3125 383733.4688 227710.3281 35367228 13871626 1864184.625 11482970 99870112 11101907 84423.9922 3713954.5 683918.9375 25339774 31961476 2470301.5 10362490 3436590.5 153483088 1468668.375 8775375 1521942.125 7110495 6494985.5 16380362 1530439.25 1185349.75 1200976.875 65398368 8339597 1829349.125 5404824 3473228.75 33789692 9286084 14658720 10262366 16402577 2308488.75 3334424.5 688311.1875 14057350 4230951.5 678905.375 3280917.5 426454.9063 7903551.5 15287901 12799888 11574822 32112346 32308824 30884556 1756250.375 1301233.875 3813392 41100852 2632003 2287983.25 12723306 2023982 2168803.75 1740910.75 2036213.25 12985539 98556472 9747286 1080650.625 2539825.75 5487932 12724501 56079612 3698727 4017009.75 9490459 107657632 620664.875 11937004 3244572.5 3946794.5 2610965.5 13198760 9372846 51779540 3578598.75 11916015 1377055.375 7548085.5 1953091.375 1454274.125 7256177.5 2775381 1893703.5 107311184 7955481.5 5212976 12048538 2561759.75 1373364.875 612864.9375 1946901.625 1732517.125 12851594 2343801.5 7461020.5 5573723.5 3564098.5 31530840 32457840 9880345 3508847.75 2659330.25 8144446.5 2882558.5 1143869.875 1457783.625 2753826.5 1827553 48653228 1883158.875 8381408 6497658.5 8077355 1238338.75 2187223.25 6667663 17915760 14880507 430708.125 4077408 17715968 2738211 618896.75 4141664 2076753.875 7981734.5 4094904.25 15268987 14912035 3816181.25 13230612 4337130 24761584 24778942 6612317.5 11261430 866471 8889500 16795882 61371800 1466974.5 35270036 13275402 443101.625 80353224 721875 11044995 6128840.5 278402.2188 1360329.5 3171107.75 1438996.125 34264284 11763265 7514701 2938431.25 912484.4375 46880628 19812542 2384796 2422808.25 9496579 5775839.5 5198838.5 1472815.125 2211939 64560940 12705342 6565176.5 1097944.25 3886909 21477146 5847904 5144638 2883408.25 13242578 2927589.75 32845678 86191752 7272391.5 7888287 80541880 84179152 1046913.125 6885353.5 17358376 17783250 10483051 8503091 6222534.5 45255916 15159916 15631330 26653784 735988.875 41653040 100796784 43863868 2549250.25 13186613 7244257 9341709 732928.3125 17865786 22642292 2894953.75 415457.9688 28485010 6405108 2793898.25 18557480 25846074 25022988 3505262.75 8014297 2557364.5 87595168 1835273.125 4919827.5 1571770.375 8720532 3946794.5 2179061.25 1116254 668407.375 7192446 4667988 31897744 8464931 29590750 44000912 3705421 41568060 21399300 1717678.625 1627335 4398600 12887703 1166512.625 6143781.5 2535358.75 3755165.5 58372896 33201028 azeloylcarnitine (C9-DC) 248185.125 341714.2813 101393.4844 174072.2344 32157.9004 67905.8828 70324.7344 194505.0469 47235.3633 33247.2617 3413947.25 632650.4375 351534.9375 1266632.75 3162799.25 2604138 102268.3828 49323.5078 5136173 1199594 170674.9531 603163.125 730456.6875 19209756 55040.5352 3008064.5 197841.5469 736701.75 421986.5313 1591157 172363.375 207371.8906 77098.0547 8243668 3216198.25 239817.0938 350609.375 382093.9375 3210068 1473201 1630512.75 1586241.875 1468555.5 117201.0469 280520.2188 64314.6328 1360059.625 418471.3125 140291.2969 311281.9063 7297029 4516351.5 1182535.5 2183045 2475371.25 3828160.75 5928119.5 59215.2852 834817.75 704690.125 3087270.75 107694.0938 270869.0938 1661515.875 900394.125 84318.3906 218246.7188 376286.3438 516896.1875 6551208 911840.8125 167146.1406 625543.1875 837777.6875 1677264.125 3179315.25 501088.625 972703.625 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926277.6875 699689.0625 640834.125 112708.2031 16423323 3671582 1033236.75 374865.8125 3673584 307186.0625 237787.6875 759504.5625 1343313.125 239368.4844 4146475.75 5223376 1239498.75 391446.4063 7926667.5 14316493 49690.2383 1062895 1541713.25 2612396 1732028.625 649658.5625 409001.6563 3117784.75 1609123.625 2569413 6308097.5 728387.3125 821448.25 7174136 7787078 287916.9688 1678462.25 2245292 1649475.125 670321.0625 1766187.875 284462.9688 2432964.25 514967.1563 137119.0781 492913.5313 4947586 1316477.5 333792.2813 2211854.75 12083290 75093.3906 194296.3906 177864.8906 1166066.125 346886.3438 186645.2188 360236.1563 720599 4689008.5 500182.5625 1414593.5 2736112 362613.375 1189480.25 932087.125 156677.5781 259122.2969 107504.1094 1847472 47017.0547 1180832.75 481557.5 4090855.75 2050849.125 thioproline 8818631 10772908 7936200 7820767.5 5715709.5 7797730.5 7920973 9708479 6777335 6871073 6782325 7836109.5 6052904.5 5753356 6156299 6623128.5 6429051.5 7449382.5 5213725.5 6547104.5 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5152359 6687326 4754754.5 8353686 3720314.75 5075722.5 5883446 5137309.5 5806463 6291459 4763871 9931326 3985519 3935970.25 8676524 5120583 3754724.5 6293272.5 5736909 4002630 3986559 6833927.5 3893181 7366182 4546198 10347091 6446355 5980981 5271584 4853875.5 5783220 7327964.5 5768604 4812509 6272026.5 4532910.5 7547296 5513532.5 4950676 3706913.25 6191384.5 5644549.5 11796148 8588551 7922600.5 9149570 5914169.5 7821915.5 8517507 5050721.5 12016923 5054402 9960219 5722818.5 6945354.5 5135544 2625728 17333090 6981521 5215146.5 6637674 4905056.5 8248360.5 4773489.5 3478392.75 3561082.25 10454716 5449740.5 5660179 9740850 3828049.25 7057654 7669438.5 7047540 4396014.5 3820501 4852328 4975337 4961282.5 4091610.25 6777407 4130737.75 5129347.5 6320234 4195182.5 6102832 5988490.5 5218892 4647876.5 6614685 5539025.5 6731977 5805354.5 8121685.5 8536194 8345509.5 6528747.5 7142709.5 6101269 6756261 3349343.5 4832172 12516861 7820633.5 7221412 8697690 5046445 7608868.5 8289819.5 5937781 10085115 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195952.375 124776.5234 136302.3906 96980.125 234207.4375 340480.3125 85413.3359 413295.7188 176536.9375 64200.375 208064.5938 64926.8633 729081.375 71311.2813 163482.3438 1041547.563 475033.875 45563.3125 44393.0859 222647.6406 142444.4688 71573.8984 417513.75 44290.4531 244548.8594 1081207.5 55200.8125 971035.25 533310.6875 143875.2969 63190.1406 130544.9922 154537.1094 99666.3438 283637.1875 194835.3594 72208 101019.7031 295550.75 79146.6484 88598.0078 470733.3438 57562.3945 187426.1719 89870.8672 69866.3594 365390.9375 82290.0625 468749.0625 317694.4375 125522.9844 96430.5234 588753 196217.4531 132087.5156 179747.7656 116189.3594 444162.2813 146522.6406 275326.875 207535.3281 886680.375 69534.3047 353227.8438 64243.6406 630065 256368.8281 164680.1875 167835.8438 84401.2578 192914.9844 301827.9063 432400.6563 200875.8906 142334.875 164433.1406 110689.3984 895331.8125 154336.875 368025.5938 86657.0234 228223.0625 850920.625 589898.0625 84658.6875 128665.6172 75248.1563 56785.4063 81286.7891 240887.25 441666.2813 96438.0703 100947.25 160246.375 170318.5625 155276.6719 63068.9844 140465.2344 68975.7344 70977.0156 129127.2422 153895.375 85943.3828 134712.2656 90691.9375 153384 99452.0234 78967.5547 810253.5 423314.5625 67708.0313 60922.1328 775206.1875 287474.625 68032.9219 88907.5625 402707.5938 71043.625 218327.9688 168114.2031 57809.5508 73395.8203 129013.3438 119078.5 252006.7344 200094.9219 286936.5313 88679.8906 142865.75 69056.3516 89767.2266 78088.1172 191910.875 93509.3359 "N,N,N-trimethyl-5-aminovalerate" 9462738 11353900 14544362 8725050 12536553 13322198 12725455 15578423 7839102 48536220 13091817 29431454 14120438 5308952 8351969.5 11580432 11969996 15397061 9649994 9306958 15563112 19060618 21299702 18536578 13591520 12064224 33142218 8818665 25807842 4793529.5 7827845.5 15335730 13128977 18490730 7742206 24145290 20850012 27569870 9561602 16052840 11467857 11092921 5638283.5 11307163 63186640 12967213 11207347 10532502 18447418 12870100 15909945 11155236 8073382 11428156 18961596 15694889 16113260 10407293 3134443.25 3298874.75 13311837 9350922 35328208 6650620 37791220 23145748 10641529 5261936.5 18197030 15896946 26851562 3899807.25 11151636 4794448.5 37957852 14046226 6937555.5 3156128.25 10805201 14872273 21373992 29809792 15238854 23953224 14239310 8209230.5 6914434 19137726 5600493 10818203 7432393 8344257 72765424 9795523 15389178 12613642 15848435 15134808 6041157 8949819 3291247 6920859 18186452 5917885.5 7417317.5 13098207 4798532.5 3654425.25 6799685 6695089 27927802 16749784 3584831.75 25463444 7869861 12997062 26210340 47134656 11232014 7124249 22017902 48398748 4270426 14484078 3358586 57330092 15079343 6545627 7635923 19057074 6007684 28507916 10472827 49871280 5001276.5 12013832 8097455 7382805 3676070.75 49946040 7332842.5 5302149 28128572 8354649.5 8924811 7984487.5 4218176.5 6116642 19246826 13296727 5614845.5 14647922 21455530 12114190 50606436 12977740 10813352 8433933 14692711 4546020 6579171 7488153.5 4123986 7179487.5 30984100 10287117 19638830 10510030 11123005 10699532 10823496 7927159.5 12432297 11102331 15784984 5482859 17381472 6080952.5 7707805 6772172 6318565 19095784 10697773 76550400 47133332 6725671 4966556.5 9455685 14058450 17685874 14565605 18872040 10439351 9261938 13442446 42367932 7141856 28555060 11485456 17513936 26157952 6516251.5 22170970 11103415 7439933 5520273.5 12530894 13199221 36283756 27630836 35090584 3101492.5 9843624 23477302 14183803 10982282 5739156 43093404 18027644 7508064.5 12929005 13562438 24626808 24625298 4796196.5 14375552 6595632.5 22099388 7846717 21084950 11142137 23013908 5761762.5 12647422 15466742 7406090 12629492 37193364 14262161 10078645 13277699 19915110 12035590 4959869.5 9306329 16180246 15017863 14298049 7115271.5 20685708 3771351.75 18308036 24563036 19936366 9267710 26441604 13144711 26838856 12374728 18291378 150149664 5135194.5 14818368 80528024 12530894 9395827 11488471 16756367 18499300 10314099 33858012 6993734.5 39876876 8731331 8461132 10489698 20065992 7564918.5 6487504.5 16164282 23604666 16829590 10837323 11669691 18878096 18367914 30171880 6497768.5 12215931 5839722 4653777 12477415 19681974 14464411 6906786.5 22066046 12876810 6842403.5 40841584 54206632 butenoylcarnitine (C4:1) 130523.4609 43004.4844 70021.7734 967158.625 388721.375 684923.9375 893989.3125 1586922.625 128385.8438 242259.2969 360504.3438 108632.0234 1532565.5 1629816.25 354398.625 620391.6875 44247.125 144318.8906 40420.0664 515282.375 1485128.75 377173.9063 560475.4375 905467 405403.5313 551904.6875 4908379.5 1866260.125 478944.875 500712.75 338839.125 347374.25 146202.3906 1624067.25 607906.6875 140921.1719 240490.2813 874038.6875 504396 826869.1875 541171.9375 151781.7188 217231.25 79070.4141 64931.5234 259983.0156 155196.1875 143664.0625 183275.0156 357145.75 1135450.75 842886.0625 1537143.125 339136.5 208587.2031 452417.25 406053.4688 126038.7891 132337.8594 1569967.75 384625.375 2226127.5 496937.0625 267226.3125 536130.125 47372.8984 1587544.25 466804.8125 488733.0625 185922.4219 548081.25 74559.8906 426043.0313 406453.625 672056.25 944652.375 232327.4844 65294.6953 121053.9531 121379.125 337867.6875 2503622 350956.1875 339136.5 125519.5703 340210.875 3089829.75 1216732 468594.375 124809.9063 49144.8711 133635.6719 415574.9063 2078082.25 1392671.875 50831.1445 363242.0313 285541.4063 1241071.625 160041.6094 243545.9063 168444.4219 499909.75 1877082.125 318898.9688 2167628.5 346673.6563 113895.7813 338829.7188 188280.4531 289291.8438 480785.25 864392.75 181592.9531 1629113.5 128936.0703 68989.125 4312705 323880.875 566643.5 108690.6641 207799.0313 35353.1602 865904.75 106372.8828 339443.2813 498639.1875 109501.5625 1982284 1335529.5 112376.4766 73333.1484 329370.3438 72708.8281 514764.375 171270.9375 70265.8125 306060.5938 156130.75 1298378.625 188203.0156 209741.2344 1428883.625 349113.5938 366682.7188 168499.3594 25693614 4163223.5 168448.4844 303034.25 165589 339805.3125 450229.375 74832.3359 266605.6563 194958 1370261.25 189920.8281 83631.4844 71362.6797 63105.957 64190.1289 284426.75 96901.625 137145.0625 1161239.75 65891.4297 578360.375 108898.7109 116790.1797 314366.3438 437290 820471.9375 303095.1563 2-furoylcarnitine 112481.375 202365.6406 27223.1738 108127.0078 225963.7969 108508.3984 43159.4141 38502.1133 100049.5469 70105.6875 135387.0156 83470.9531 75333.4688 626364.5625 59707.5977 84501.9609 255302.4063 282566.25 295447.7813 351811.25 435235.125 408024.2813 106230.9531 104008 127054.0625 259455.5625 84705.375 2279719.5 264282.125 245631.125 1063357.125 436786.125 152101.5 366410.0938 50289.9258 185532.7031 63905.3711 191676.6563 106566.0469 42988.6094 223082.7969 152101.5 475748.375 180562.2969 57907.9063 133142.2031 410176.3125 71924.8438 105707.9141 413341.2188 490273.25 82287.7031 54803.2422 336129.7813 187936.7969 194667.3906 64130.7539 342538.5625 429994.3125 156845.8438 2601365 538530.5 81201.6797 270494.75 179107 123640.7031 56279.1875 41082.4805 45175.3281 603233.625 57242.4688 66613.0156 103118.8203 258926.75 3-hydroxystachydrine* 3678318.75 172932.875 33414700 818517.6875 17030100 3643023 545955.25 526800.3125 21573508 146938.7188 24945904 594679.6875 952464 601254.875 41499348 2437659.75 6485863 646520.625 1538909.125 3731946 46965932 2561580 981106 11569020 27106096 119326.6797 7490380 2142504 18088094 39857328 2428863.75 8399824 34777172 1210601.625 5099253 92667480 42390500 12688300 146568416 1911112.875 15190771 240843440 1083355.125 35538292 566572.0625 5478065 2036527.375 8598166 552640.875 2757267.25 18302452 2968022 15091909 375164.3438 2099891.25 114551.0625 66900440 318401.3438 25454178 3393010.5 2571520 3190015.5 35792932 471330.875 366179.3438 750916.1875 31615726 336427.5313 988975.1875 137394.9844 33296008 521291.4375 481558.8438 86856.9375 148841.5938 1552927.75 190038.8125 976977.9375 6668965.5 80855.5 495439.6563 432015.9688 45967176 199563.8125 23566912 751041.625 4522295.5 4354351.5 1287204.625 5987562.5 4532076.5 28383366 1200083 20313534 1085972.125 1275769.25 5253219.5 1950379.875 4838347.5 90833120 4451004 1215761.75 6022627.5 205288.0625 5842507.5 70628440 2817037 32296842 61623.1875 4815830 20040066 101480.0156 528673.8125 10463777 6387027 23041374 211833.2656 14035266 4890538.5 159652.0469 664963.1875 1289425.875 33101254 217824.625 307715.5938 2789813.5 525870.6875 1675516.5 1248663.5 794598.1875 18420386 1540233.625 1254464.25 4257761.5 2134776.25 1733228.625 21842284 639551.75 11329858 2043391.125 297396.4063 59797736 219699.3906 464799.4375 201818.0938 272620.3438 2104724.5 7524040.5 398753.0625 493866.1563 43303508 579320.6875 756439.0625 2493926.25 855201.125 4488185.5 2338022 11905739 949036.25 750809.3125 1628394.25 67020.6641 13128087 7504590 2750127.25 8687178 414124224 10427256 2581460.25 25908248 8995528 6530540.5 5802822.5 151431.75 6098797 4654179 111298304 977672 22071874 401790.3125 1479312 160477952 135046.6094 3196271 1160120 14146582 9992184 2685361 355954.4688 590442.1875 2457678.75 2720370.75 73644232 466137312 1887433.5 34398784 97909.75 56970040 381044.9688 119963.0078 461153.5 1490014.875 43965744 8351954 29576408 1457634.125 690267.4375 2899581.5 1501033.75 45425576 11788091 9208975 14195156 12051757 13657024 27092954 408287.2188 3912146.75 591537 1838177.5 2274278 2069091.875 10897558 16725796 1277089 2240823.5 32867544 1630698.875 30813662 28638420 1634756.25 300806.2813 1053736.75 564259.8125 2338713.25 16358064 804305.6875 717846.5625 174074.25 16395182 113853.2969 460954.125 3224278.75 1398275.125 3865469.75 471280.3438 6246976 11041565 18683286 2884049.25 35823364 140750336 96392.5547 3466357.5 686509.1875 2496205.25 52381.6172 12117056 13748437 7300913 1594696.625 701895.6875 27417676 hydroxyasparagine** 1084317.875 818605 963078.3125 1231327.875 871535.125 1641060.375 744759.0625 1150861 1182318 2947042.5 1211037.375 1293280 994303.875 1064999.375 760106.25 1213429.75 1168809.25 1259168.375 1157790.25 1895833.5 1143129.75 1639083 1795943.25 1088246.125 2124035.25 1045042.938 2033469 1022201.813 1650916.125 1788135.625 1185895 792456.8125 2647104.75 1559153.5 1532088.875 916700.3125 1646612.25 2336075.75 1039583.688 1085519.5 1055354.875 2161678.75 1062498.375 1166855.5 2056967.5 1607472.375 2241780.25 1317626.375 1378115.75 1281337.125 7407971 4247075.5 1925091.125 4002576.5 8164758 7088813 808412.3125 932539.3125 597678.375 7335039.5 2826779.25 1002086.188 6716309 1202806.375 9376160 722652 4949367 829998.3125 3692504.5 1489362 4680661.5 932682.9375 1262675.875 965273.8125 10365728 3405494.5 817287.5625 2137658 2307779.25 4287380 6290301 6971796 6068122 4603706 1135448.625 1765042.25 680287.4375 4243220.5 841200.9375 760518.9375 1460442.5 500954.0313 2767766.5 5035011 2688247.25 3210273.5 7427975.5 9985498 4430103 623071.5625 1272525.75 2112227.25 4848555.5 1570834.875 616194 4330147.5 1351814.875 583788.25 940336.5 983982.5 2572276 6165886.5 2305665.5 1859542.125 1073178 2090581.5 2228623 4140582 1055201.375 1875313 4227425 11546001 748901.25 6981188.5 3469888.5 2070668.375 1058049.75 4036149 4763545 6508717.5 1403535.875 11646893 1488074.625 4284030.5 810360.0625 672120.1875 2150323.5 1182938.375 1119590 8409133 2086466.375 1068557.75 3435370.25 4053862 843406.3125 1059840.5 1299251.125 1399952 7647785.5 1413542.75 2834703 3990756 751198.5625 6873224.5 10649016 2389020.5 747573.6875 2121965 2244532 1114527.625 1344097.75 1239866.5 1695380.875 1015420.875 13259575 2527977.5 3484038.25 1124634 1691430.875 1865666 1679940.625 3080151.25 7231940.5 2798993 2094696.625 1833243 4194765.5 2086367.75 725942.625 2782407.25 1326435.875 8971169 1515505 14864515 6439095.5 1647177.5 4899759.5 1599355.875 4444403.5 7578483.5 3210329.25 8318501.5 620273.875 3302288 2075654 21052080 1444640.875 8553340 9794772 1198789.5 13832629 811363.0625 1740280 3815973.75 864556.8125 1046191.563 1617751.75 800714.125 6021835 3330760.5 1647420 1495260 759671.625 3586908.5 5362582.5 1536122.375 1095461.5 11367474 3498739 1713630 5164127.5 1009398.438 13179529 3794825.5 1498466.5 1104435 1733636.25 4759562 3446151.75 3701970.75 2279994 4566580 1768858.25 6638775.5 8664463 3565659.75 2924526.25 14068781 15092319 1149261.375 4391964 6032845.5 4620841 4530322.5 2457105.75 1523654.75 3665083 6043596.5 6765038 7782606 881218.625 3686184 14606117 11070788 2295287.5 4835950.5 2801767.25 13195215 886936.6875 2126465.25 3219342.25 2090581.5 688934.625 6283580.5 4229113 1459143.125 2469236.75 5222681.5 3798752.5 2281789.75 7717657.5 1099185 12697881 991467.875 2316469.5 973310.5 5694083 1179252.625 1032177.063 1870192.25 1275290.125 881484.5625 3694150.25 11779020 3800392.25 4776517.5 6807459 1421052.5 10157692 3857408 1141720.375 5542001.5 3147143.5 14865650 910477.25 3353273 2585296.75 1096336.875 12277800 8117387.5 3-hydroxybutyroylglycine** 468714.6563 420482.0938 418740.0313 825385.375 150937.7813 6813631 308846.5938 506528.125 530381.9375 1076278.875 464614.0938 978110.5 402668.6563 759709.9375 358602.2188 1201690.125 447190.6563 402257.375 408780.1875 550654.625 2063225.375 4758063 1369693.5 759024.5625 1733451.875 805941.5 226614.9219 529453.5625 303458.4063 275214.8438 390072.2813 946535.25 322359.9375 453314.2188 477795.875 465372.25 964403.8125 447634.5938 542735.25 536617.25 898116.125 660350.625 472947.7813 1215029.75 619790.375 6851581 562629.375 645118.5625 532164.125 2508552.25 2242616.75 400073.5625 2995457 2320747.25 17746792 512353.1875 852067.125 733720.3125 1034950.813 2997861 794376.625 4431539.5 4752006.5 1745276.75 1642685.125 540874.0625 1194633.125 464386.75 1864638.25 940955.0625 526957.875 2346332 25036852 3479021.25 909153.375 1088855 2474574 1609673.625 2045534 4162838.5 1751106.375 1146335.875 544395.1875 2127326.25 816649.1875 739220.125 1887952.375 1404912 755739.6875 677406.75 2022839.125 2810007 1866036.5 703856.625 3083704.5 2922776.5 5286865.5 482332.375 469781.1563 892325.125 4249995 1276787.375 694595.5 838178.6875 949853 1044631.5 758079.6875 632663 2819661 1234779.125 2324963.25 1478646.375 1388968.125 2351720.75 1502851.375 1221792.75 1439061.25 5922788 567445.9375 3103108.5 2533043.5 1738560.75 766604.25 3214106.5 2784808.5 1691477.875 1578128.875 753471.5 7896812.5 2054929.25 3001832.25 2032363.125 2480580.5 576771.6875 1564851.375 1447601.375 2113380.5 1784771 823423.875 546469.8125 417974.0625 2176149.75 874181.6875 829254.9375 597177.8125 1598030.5 2099292.25 3187699.75 4088464.75 2433242 2289012.75 2538597.25 1398714.75 658082.3125 818226.625 3676054.5 1482916.625 572883.25 1504455.125 7265512 762602.3125 995233.25 796011 1322788.5 488956.1563 4390997.5 361867.5938 18629410 2630406.25 452564.6563 1129004.5 1983302.375 612080.5 767797.6875 540202.8125 1003288.5 3450644.5 1871286.375 6022231 3015611.25 2459429.5 888759.875 2836417.75 746105.5625 1177954.75 6091428 3406899.25 1130189.875 1108139.75 438852.7813 15644478 513547.0625 1163014.25 5531963.5 808482.25 12875033 338212.3438 2055553.375 1253442 191797.1875 426351.25 1426917.125 997545 2780987 4389859.5 1280793.125 773518.4375 9062106 792699.4375 9222389 386799.25 475673.7188 5910187.5 1085637.5 890205.75 216177.1875 980541.8125 10264581 248203.2188 1614528.5 1912715.625 1781795.375 1780683.5 973030.375 926876.1875 1114475.875 2280473.25 533551.875 3191599.25 3781644.5 513366.4375 877137.75 7445778.5 8754288 509474.7188 682396.375 1125939.375 1822446.375 2036237.5 2096276.5 914109 1002173.313 1087181.375 665607.875 2611196.25 426443.9063 621923.375 12491661 2555029.25 1623809 5833993 2029316.125 2301728.5 558659.8125 1440601.125 501946.4688 792164.75 20452606 876542.0625 1123211.25 825227.3125 4127795.5 2788979.5 2439851.75 4148613.25 635370.25 4105450.25 1501739.5 769061.125 1739308.375 3762581.25 1314554.125 437924.9375 383450.4688 821173.9375 1759677 1243474.75 6393953.5 2138854.25 1897354.875 1542972.375 588227.75 4096634.25 601698.5 1135858.5 748633.6875 584072.75 8951272 952410.6875 5471706 774886.6875 1613759.5 22738856 2521726 N-methylhydroxyproline** 839015.75 151767.375 511838.9375 617003.6875 864883.875 706198.1875 510702.6875 577651.25 940311.1875 281907.75 259434.0625 468042.25 439435.9688 218711.7031 548545.5 156821.2656 1165931.875 314709.75 292216.6563 629882.3125 1776905.625 478609.9688 94553.7031 565198.1875 3405700 365835.875 918389.375 894407.5 656053.5 5024333 551811.375 822076.375 1587194.75 2323438.5 128645.8438 255124.6094 353782.5938 1159688.25 408289.0625 703559 1687850.625 519456.5938 540416.4375 646906.25 68133.0859 483827.0625 186896.5156 215033.6875 636108.375 381701.9375 195161.8906 427270.7813 678669.75 803139.875 253241.4063 1982660.25 100662.0469 454756 360004.6563 3448397.25 308576.7813 717360.9375 159125.9531 447139.1563 587446.5625 146781.2188 222928.2188 2404548.5 247463.5781 3572492 448484.5625 618045.9375 361700.5938 202606.8281 836972.75 108443.9688 507866.25 370926.9688 305891.9375 677021.25 241339.4844 214087.9375 3433073 384149.7188 608840.75 237351.5781 504637 1153839104 143574.8125 775183 1751376.875 2822228 4771084.5 644158.6875 291065.5313 338138.9375 1696608.75 441089.1563 350075.0313 347764.125 248430.9531 532866.8125 1117469 232848.0625 267029.7188 235066.6094 381912.0313 125190.1719 866550.375 75993.1953 164638.9688 98134.9297 382237.5 706395.8125 276791.4063 191256.1406 351000.75 860699.9375 276424.3125 192857.5469 1030460.75 408867.0313 357796.125 472958.7813 400848.6563 521350.5938 452634.7188 422306.8125 1403291.25 501913.9063 1034795.438 413609.3438 2029987.75 725597.125 578184.125 312214.1563 1031127.375 617483.1875 161041.9844 4708426.5 1206105.875 87244.8984 625177 340748.0313 318141.1875 516666.25 492607.75 166780.9688 950523.6875 507360.0938 621504.75 243919.0625 1053482 277210.3125 247335.7344 4373741 332522.8438 140646.9531 215370.6719 380306.0938 1329666.375 2675797.25 728627.6875 623319 1047048.188 661041.375 372775.375 962694.25 892269.125 755030.875 743496.875 548504 3642234 1985985.125 503019.8125 670281.625 1351426.375 499936.3438 2590541.5 424458.9375 709687.3125 75061.0625 1504986 1072987.375 297760.3438 264013.8125 870704.8125 2439582.75 194009.625 281576.5313 175960.4219 286906.5 474702.125 1711860.5 145728.7813 302245.2188 191332.3125 1068980 666988.8125 541856.625 706497.9375 1173602.875 839272.3125 212134.625 680854.1875 184609.5938 228322.4688 1248122.5 290264.5625 964613.25 781536.5625 452853.1875 780319.125 293878.875 2659350.75 "N,N,N-trimethyl-alanylproline betaine (TMAP)" 26048974 22849696 47510128 33468810 23718314 62697380 21815560 43033844 53916116 86559632 41023992 39189236 48957664 27968566 37606796 45892072 36049580 29926392 46696928 55335776 46201132 68148608 56598324 45357336 52082284 32867584 35688600 26839820 52451096 45856924 35610052 25429254 77577760 62625048 56866500 28592618 35649512 55645892 41324492 32875858 37708636 55489112 37383000 53874152 71046848 62528164 33951520 28783074 26247286 35724564 832983808 325848736 107398272 238650080 546643776 624029824 46167476 96069328 33869524 808177728 228729200 146266944 1029108992 212544352 1573249280 73540296 501712064 46160688 282258752 247428176 556320512 83449672 120108456 68185824 1381719040 408095712 69777672 99154352 303999392 540271808 978894208 677409984 495868224 613627456 45936000 228702768 55231020 569187712 81997592 38573124 142484624 35112880 983079232 353343648 265727216 273830752 1632829184 906897472 664463232 36801536 59404260 112265256 549863808 90388872 54556040 261637760 136761344 57352620 50593212 103706296 81150680 408061568 188477568 141717056 78551608 103162672 92368392 629733312 295614016 136031856 466483616 1550848640 88045736 653341504 244961440 137511776 170571728 130266080 342636864 970489728 105795040 610161536 86400608 562560896 68182448 34318724 344210688 105162112 53191056 1944574208 92132824 84729192 603664960 342772416 158102576 29379858 74769072 108617464 788503936 135156096 149564992 197655872 119290784 235224064 1083081088 99515752 45991988 159050976 341878304 108484008 147974528 139455488 243428224 89909896 893983168 269423264 379467616 175030672 302813120 117950264 84438776 123645936 919477760 133592608 44989728 80520480 352781888 124757656 86461208 245407664 119349896 803667968 95279520 1246463104 714648448 68260312 308759008 122407600 599119488 247238160 299324352 659337024 120613408 304682240 89729208 1022935168 86926256 640006976 1150263168 89033264 1539874304 50246240 269054080 321687808 31161050 149798848 137511776 64610924 432375040 461770976 194805776 115429936 100067704 725303616 660951040 171815936 90187616 578730112 236922464 645633152 183802192 142437552 1806589056 575386176 72418968 95445960 102320480 854030848 148953984 218719296 103413624 460737792 49538800 805009792 714460864 140735888 334602528 1179367296 745684224 135568064 344894400 792091904 119375912 274963264 96072104 384767936 691513792 513691520 210494784 658239424 30763272 298762624 1335899008 474414144 116390056 912889216 156672048 766875072 38901716 53788096 1670215552 179059200 72542144 1431070336 282391520 69826312 305416000 397930432 408465120 91516984 514650720 187314288 965892416 80069736 57941972 24551720 369718816 106256592 89319648 125763576 58254700 45189792 124707624 483141472 248947600 351452256 517587008 128427888 468875104 324258496 75802512 229209808 250767920 616376960 130033048 162785648 327156384 98277704 1237171456 346457632 3-formylindole 1364399.375 1581787.75 2308223.5 2191057.5 1773338.875 2187140 1809807.25 2631571.25 2083505.75 3245481 2199652.5 2519863 3985622.25 2009355.375 2394552.75 2917858.5 2071421.5 2690980.25 2380848.5 3622597.5 1890604 2866383.5 2273206.5 2075988.625 3415135 1431272 1843604.75 1680272.25 2795668.75 2214844 3371224.75 1690673.5 2669478 2875958.75 2611681.5 1521168.25 2858417.5 4300868 2937265.5 1197814.375 1186378 1936174.5 1460513.5 2444700.75 2459161 1770403.75 1601918.375 2381771 1439171 1678263.875 834682.875 3995744 870503.0625 1154360.875 1670346.75 2614625.5 991399.25 1148299.625 874556.3125 1678725.5 1676503.625 1800691.875 6782575.5 1623231.375 675749.9375 813168.0625 1336413.25 1250526.375 568887.5625 1804638.25 1941355.75 1462265.625 1893547.625 1129412.875 1199513.625 1062835.625 1347751.375 566584.1875 1022416.625 1121740.875 2143334.25 919091.5 1216927.125 1248770.375 1122537.125 1713616.375 1326148 1150554.75 926464.0625 505322.9375 760619.1875 1155220.125 2652354 2173000.25 1920950.5 3625260.75 1825556.75 4276061.5 1120091.875 357633.4063 1626261.625 3632248.5 707422.3125 1302305.25 438826.125 1662596 798216.375 2096194.375 1850475.75 700333.625 1823305 2631414.5 3034166.5 406164.0625 568999.625 677444.5625 1386238.375 2186562.75 3114913.25 1830609.125 370500.6563 1470006 2142336 1833364.375 6788706 898251.0625 1733088 797186.5 2650472.75 2830882 3943993 4072931.75 631905.0625 641301.1875 2162673.5 653722.8125 2343936.25 1161946.375 875690.5625 17875406 661787.8125 810883.4375 1804342.625 2443463.5 664963.1875 1797622.75 987837.5625 1259438.5 6630976.5 1306764.5 1349716.875 890886.4375 1128554.25 877370.75 1919218.125 579011.4375 2577757.5 773759.75 1833749.375 944766.1875 987372.5625 1763676.75 1124679.625 1950788 2683820.75 1450192.125 724632.5625 702183.8125 1263440 1537365.375 475834.5 664729.1875 644237.625 1158693.875 1787042.5 1245682.875 525894.8125 1232194.125 1023149.938 2688341.25 792023.0625 12650091 1054231.875 2297563.25 1679187 1658204.375 2066241.5 783712.1875 6122896 1755375.5 2037417.75 4200963.5 1441490.375 1829872.875 494517.875 1848859.25 252302.5625 1824231.125 8172141.5 985550.25 1470071.875 598921.9375 1117658.75 1193773.25 1246688.875 5689720 2391441.5 976301.625 838910.625 1733446.375 3562672.5 529042.1875 1678725.5 1530679.125 2604116.25 750471.875 755748.5625 2466481.5 1686729.125 2005668.25 1868442.75 2289270.5 1417240.375 1180669.625 1621048.75 1414002.125 1272326.625 7069566 2209311.75 2116486.75 3736827 1588289.75 1811428.625 1799768.875 964080.3125 2613051.75 1835731.625 2110683 1873383.25 1858595.5 2569045.25 6018741.5 2917695 1870089.375 846811.375 1649965.375 1175141 1075695.75 703553.0625 1404441.875 667582.25 1123963.625 4025337.5 1515372.625 2201616.5 28235416 1247906.125 4549437 1126707 870908.9375 2716075.25 3038731.5 2353869.5 6821905 726470.0625 1217827.5 4625845.5 3000753 1160017.75 586915.4375 5243853 3464106.5 1417141.375 466449.5 976612.8125 1243673.25 3657924.25 5285469.5 1824718.625 629486.6875 1812458.25 670288.4375 1265836.125 2132007.5 1368792.5 1871758.5 1016674 2713381.5 776768.0625 2758088.25 4155427.5 2184617.75 466025.8438 2978410.5 1097297.25 542659.875 1948827.875 508186.5625 4905633 1348577.625 gamma-glutamylcitrulline* 2013259 507242.0625 2330211.25 709064.375 1107951.875 1078155.375 1477272.875 971703.25 2049035.375 1100866.375 1251144.375 1322715.25 1651739.25 687680.875 1268814 671147.375 1548409.625 791909.375 892122.3125 2204124.5 1168158.625 1223674.375 2365564 1939608.5 2095676.75 1035273.125 2062194.875 1289150.375 803632.25 1080329.875 2121071.5 1666567.125 2363348.75 1877469.625 1938458 1845503.625 1427594.25 2669242 1394349.25 1271477.375 1114383.25 931684.25 1092211.5 1609687 1056502.5 2724294 1390072.125 1486256.875 1064385.75 1493125.25 436681.25 474431.75 431836.75 1006888.938 370970.4688 132474 711880.3125 188255.6875 103325.125 871775.625 634249.6875 62359.3789 140162.0938 314793.2188 310994.6875 140102.3125 243291.2656 272177.0625 564238.0625 369570.2813 235540.6406 400772.5 544209.6875 372401.9063 175657.7656 61700.6914 329820.7188 289383.9688 193245.5313 73546.9922 343831.6875 42859.9414 357686.25 192407.4531 109581.7656 176611.7656 303592.6875 198389.9531 512334.0313 1101842.375 129255.9922 150098.5781 163238.3438 407519.4688 102527.5234 697534.5625 246637.1563 433721.7188 326390.1875 223525.9688 212687.0156 274713.375 148615.5938 2511819.5 336518.0313 93626.9219 251684.9688 101787.875 888258.4375 299085.8125 567371.5 159630 299231.2188 97206.3516 138491.7969 1785011.875 302736.0625 402722.7813 345014.75 142277.9531 58042.9258 72116.8359 90808.3984 453021.4375 93103.5547 200523.6406 59531.6484 199040.6094 186248.5313 418516.9063 94821.2109 1442206.875 376132 393397.5 1443930.25 515508.875 292964.25 303117.625 91697.9766 91544.2109 363258.6563 172332.5156 192400.0313 801887.25 979272.5 190611.2969 151966.5938 75895.0156 165685.1094 669547.3125 92540.8672 238668.7656 480915.2188 666286.25 566413.4375 123391.625 140256.9063 51485.3789 177895.4375 224279.5469 193282.125 124788.0781 177123.2188 71082.7734 366032.5938 189085.4375 256780.5469 362677.75 162764.6094 587670.125 93350.7188 66385.2109 56062.1484 79434 927762.375 335329.4375 334577.8125 374303.4688 1023656.125 234080.6563 797156.8125 143540.0156 734493.75 512350.5 697670.125 1011953.688 286819.1563 1059886.5 562548.3125 112596.9922 498047.5 103461.5859 306696.4688 1987988.625 479120.7813 442777.8438 190570.2969 785759.625 721164.9375 459587.9375 405569.2188 645780.25 520338.375 115788.5703 640445.25 448380.5938 407396.2188 233265.5781 280487.9375 119368.2813 658614.8125 218510.3594 553155.375 308041.6563 710909.0625 155914.0469 208938.3594 92417.6172 1170807.75 389775.0938 1467989.625 1703715.125 921328.1875 246499.1719 351929.1563 545745.0625 324530.0313 1068302.5 1084826 710923.625 558308.0625 358691.7813 467015.0625 1084921.625 2656307 928357.625 533027.1875 180878.7031 2324348.25 110997.7891 791696.3125 312741.3125 diacetylspermidine* 274870.5938 396165.3438 239761.2656 3617488.5 11258389 411791.625 4648798.5 9123778 4010458.25 206678.5625 3873761.25 2371799 3915066.5 10174888 1293485.25 26713058 882807.875 462991.75 461899.8125 4718435.5 3210813.75 6462503 389895.9375 1475848.875 504497.3438 4937858 4226345.5 855773.75 1031785.313 7121941.5 2930421 2646095 7131831.5 3865868 7232934 2808990 2242369 513635.1875 8384822.5 10262152 519442.4688 4652009 25392060 354475.9375 3703921.25 6897868 10853696 3656443 2225003.75 2561856.5 4344871 490810.2813 765258.6875 469520.9688 1396781.25 2701346.75 942840.0625 453295.5313 341200.8125 600983.25 1493688.5 3903272.25 824471.3125 2145553.5 2568712.25 24145520 5241180.5 11914385 10738985 6422807 1049127.5 819670.375 3302718 10406837 2133730.75 2176180 2479759.75 1166111.5 1287355.125 1290207 914630.875 14275716 1963713.25 784563.5625 8126433.5 1549476.125 861693.25 11308961 2321702.25 11414000 4190681.25 7623469.5 805332.0625 163772.7813 489204.125 1291281.875 6446435 3277199.5 1889381.875 6921809.5 23018348 632384.5 4004291 13200907 1767379.75 311288.8125 603220.1875 895557.875 2307649.75 1230031.875 1417951.5 3426307.75 2908439.75 13590940 754333.625 2531146.75 613452.5625 11632071 503302.625 2242369 7105287.5 2009410.875 1688935 5711498.5 2075800.25 8475715 6350867 681095.9375 5651310 905677.75 3442102 1262767.625 2611195 6799519.5 821614.6875 18822548 2152650 4628252.5 463449.8125 8735608 14218988 793257.4375 2783409 336449.375 15253491 919352.5625 357231.4063 3944793.5 3423531 2242369 1931873 20052742 26436656 1433207.875 3042663.5 1935296.5 918283.5625 421502 19094212 1663219.125 3204346.75 775275.875 4619239.5 7942648.5 8430229 3326377 245055.7344 543384.0625 5647319.5 2684647 1385849.375 1490453 3540651.5 2655119.5 16144714 6539557.5 2339051.5 5628847 565123.75 2240032.75 1428179.375 1114474.375 438376.6563 4516544 678719.0625 365629.7188 1925663.125 4842902 2632903 2257806.25 7182105.5 623437.8125 744488.375 18157946 1349502.25 42205672 1611260.875 1519934.75 851937.0625 588833.5 5290184 1118886.25 1879034.25 404661.6875 15093191 2795694.5 1603642.625 1528288.375 439473.1563 2967319.5 728678.25 664169.625 1001470.375 11928938 6319235 5689117 432274.25 14161311 2428921.25 371678.5 1731259.375 1476851.75 671530.6875 610699.5 1256367.5 1522387.625 8823007 3-amino-2-piperidone 1417753.625 795288.625 1008073.688 1073934.75 547672.75 1417273.75 985947.5625 778140 1231059.625 1530720.75 1517653.125 657017 1029813.813 644712 954261.5 862017.875 1026247.75 1000179.875 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2659740.75 805537.625 1154664.375 768639.4375 791021.0625 544113.4375 460186.3438 428570.2188 1180949.125 1339730.625 764172.5625 918875.25 340088.2188 1732886.5 1049876.125 848326.1875 567253 2209300 553401.125 589719.625 1021735.438 480939.6563 1716981 792340.25 1147020.5 901776.5625 646387.6875 905334.5625 1186900.25 1540054.875 1147893.75 2736103 819375.875 2864381.5 2544437.5 1108072.625 841191.5625 2549078 1921150.875 1097438.75 978388.875 1421352.875 814827.4375 893990.75 1113567.25 699448.0625 744155.875 4043148.75 1375663.25 4784445.5 674712.75 1609032.375 5131269 3581559.5 1599278.625 5207898 364111.8438 2466307 708585.875 656474.625 2103264.5 775816.125 491481.6875 1870018.75 858793.0625 683333.1875 814907.6875 1068097.75 715300.4375 660665.8125 1261301.875 707296.1875 2381010.75 222919.3906 396455.9375 365652.5625 1972061.375 845835.4375 1008968.438 639598.375 986410.5625 634768.3125 1006973.938 2972901.75 1169563.375 1404058 3663572 659496.125 1760061.75 1009594.875 669744.9375 2345481 619735.0625 7419138.5 703785.5625 353948.6875 1065151.375 554509.3125 5989222 3094077.5 "N,N-dimethylalanine" 1842317.875 4508698.5 5421570.5 6985838 3648775.75 6718831.5 6349630.5 4620214 13532077 10580445 2818867.75 2183034.25 11659849 9314885 4452633.5 3533488.75 5450048.5 6486378.5 8954287 9608357 6771331 5190182 9413701 9197350 5654491.5 6419080 4106369 6259596.5 8923629 15979822 11211348 20884998 8539529 7306001 19508016 14316893 3873961.25 9122001 6483024.5 9005610 15755566 8011730 13041222 16708112 7666836 4535293 4637398.5 75758944 66762776 4719159 26135528 18043370 6629985.5 17810618 5576211.5 26964898 11671720 2048569.625 14294588 3023933.25 21772030 15024705 18584366 17191126 3836326.75 11709243 3593356.75 6241840.5 19031812 11609496 10365987 8212716.5 6420294.5 5173744.5 9056932 7903798.5 9512799 7952483.5 2031751.75 6796950 8602882 1445382.25 6974148 1479437.375 7739339.5 7358074.5 10588330 15898965 23493326 8374323 5133635.5 2848109 10105454 3187009 3462482.25 10879398 4526543 14707573 13470069 2904770.75 6547368.5 10947419 2420402.5 27891530 14097176 1959364.125 11279706 8871163 29002262 7866146 17137698 60755992 3865570 9797278 10521785 12805277 17033650 1300856.25 19525220 3812304.5 30382190 4365640.5 3023019.25 5774046 3763164.25 5022636 4350807.5 9712391 17556964 6776593 11128175 3175167.25 10572531 20399454 7066043 5286464.5 2103684 9968125 4365367 31764412 3354183.75 13631631 16526673 4754309.5 4260479.5 13524622 9982866 1570057.625 2426348 10974759 7864279.5 4094684.25 2383073.25 47250160 10865447 19397684 14095427 2567035.25 23249076 3638390 14570998 10573906 4555119 3150537.5 1909462.125 4842925.5 5314383 19244442 2365907 14492901 42246476 1327416.75 28597206 2132737.5 2988398.5 9842083 19763176 1575664.75 9193430 7042620.5 7789131.5 18393524 3445256 9161326 62272748 28725402 5656828.5 3806564.25 2806921.5 11841642 14666320 7085861 23897584 5152714.5 10544927 6150505.5 46121516 40851384 12269773 9424915 19106090 29800834 11096741 11805661 23280964 19974382 4924987.5 4203108 4099749.25 7219872.5 8190307 10992714 32999716 3971043.5 23564096 18939876 19279088 2642959 10222534 14467399 4372926.5 9005610 21736152 3011475 10574096 23192440 9812254 6004082.5 8467391 10924659 18625396 2441042.25 8832425 14314770 4533032 9658251 6748128 8972473 5701043.5 6050568.5 3632331.75 11334329 23294188 20017550 5689127 23191266 15264214 10390163 44896644 25293614 15287989 11860104 13899745 16838266 17217742 2875744.25 10213549 7830774 21193804 34156792 "N6,N6-dimethyllysine" 23275438 19951636 25738612 19862068 28238132 35201932 18025542 14265047 17968296 29019060 23238288 17877620 16105753 14513961 18569166 15799489 21661718 24909440 43582408 28061988 16082556 24253236 30346806 25205946 22223214 10194727 34216300 31183544 59872172 26476910 29035984 15121614 35651796 24788608 34121568 19389392 33219984 82783344 38751920 26620486 26461110 31702846 34907636 19068908 24305684 26874480 29511516 18062936 19349560 54408096 54164292 30372744 21279506 49544696 41281680 25973028 27305110 44253416 20148564 60696348 20827022 23944370 52563588 40209456 22496214 19096808 138679392 17000464 38830700 20947572 33170526 22569826 39979596 16851548 35116160 42774292 39730452 26608250 22983192 49223176 163304864 160609264 99057288 29118286 30862012 65710024 12723684 111272736 47243884 20040800 36883584 12749628 122439760 122546800 39845236 69655384 49895848 38189848 43089876 14547666 42030820 35501044 37603296 34374376 35065540 52796660 51503476 16461148 20415848 18172704 109217904 138766944 42721028 31590502 31571726 38233380 48914052 43072032 39769732 52806908 78785160 45719108 22818244 115186024 83957200 33858772 20736030 19774670 34731752 24070858 45840388 39981756 27309182 131650984 29133258 14471805 80159840 37737140 24661508 93295216 23244512 29054130 65200132 86239872 23036004 28121148 19485440 28370052 52269652 73559288 21070906 48504316 13180945 129685048 56299252 40637132 37670968 90696832 69778008 51365204 11413936 20166426 38965668 29271134 24736304 39266736 211048160 58861652 38535868 23978086 31983014 37098144 17131350 23350986 24008184 20999198 31760654 35256956 33117876 25346196 40326568 55483872 36587512 259822560 84465416 60854480 34874124 37038348 163824944 186650640 52354572 209791200 18671098 50200748 29176594 37889252 62416328 22169114 53928496 30336478 32117654 17908036 51990592 100579944 18591644 36079400 35566320 39734988 43089760 100879704 35998952 40510888 21406526 36542480 33367712 29286186 25550406 150973792 114916216 35065540 44601688 37781016 72494160 33720300 31728362 22711730 59759584 41018852 24278246 35806336 44267500 36329376 30874678 96210568 297698720 13410363 62397884 71438456 41240440 27231584 47978748 370224096 64404308 154477184 17643534 25093614 22970176 88586496 28785276 40413208 12326533 65630864 39726072 345409888 43288480 151337328 92285904 18455330 22025346 14319580 40357288 41896436 13181101 136567376 31495656 60150932 82277280 142864800 55618736 25442122 56820728 46828868 51259396 19692616 28982328 30226158 34323396 20195546 21043516 34217036 18679530 18159668 28590282 316592544 36084092 60556992 44798240 19066254 71850424 115468408 34271436 32131868 35103392 34025288 16790350 25890154 34044348 52083300 335551616 281657664 indoleacetoylcarnitine* 194757.8906 187624.5781 697946.1875 442843.3438 235961.9688 408276.3438 1133239.75 104689.8984 1500757.375 222734.4063 556063.125 782623.75 275429.7813 330732.8438 1722074.5 512051.9375 1080237.875 320664.6563 2288739.75 761288.75 84218.0859 738340.3125 2002770.5 1045942.438 698676.75 235782.9688 305570.3438 194868.0469 435534.3125 290554.2188 7168571.5 150904.3281 331096.3438 986081.875 438030.4688 152992.7969 285596.3438 840722.6875 614020.8125 185143.3594 108297.2891 3407000.25 2203233.25 95010.3594 289666.5 4176574.5 88737.9375 211302.8906 537489.4375 375157.5625 1042329 105512.6016 121262.9531 1811319.125 1177297.375 170406.7969 64835.1094 408605 639740 479928.7188 41910.8203 222437.5156 306642.4375 473860.3125 904678.4375 1017287.438 351503.625 130517.2969 171666.7031 277225.0938 97388.1797 467102.1563 151952.0156 516091.625 98391.0859 215860.2813 163783.7813 293144.5625 42863.5039 99897.6719 56540.8281 151510.375 197021.4688 1860251 1395139.875 382815.25 344111.8125 122357.4297 85405.0078 289987.4063 106276.9688 120869.3203 131419.7656 50798.125 1113708.125 381351.5 76060.5625 381338.2188 677111.875 748355.875 742249.8125 42093.9727 168024.3438 210590.2188 40791.9648 2463360 138436.7031 66678.6094 367625.0625 152148.0469 1782853.75 42786.4961 627162.875 1725988.625 508225.4375 130707.3828 852150.25 315119.9688 48852.4453 2459184.25 288429.7813 98972.5781 39619.9883 236300.7344 118826.1797 569913.9375 195731.6094 310120.5 130588.5703 130031.5703 214123.2188 371274.4688 107111.75 525322.375 1269563 195555.8438 456815.8125 667934.9375 163233.5156 512159.3438 274188.6875 361889.375 326052.8438 344538.4688 489769.2813 62906.0508 74616.1172 57364.3984 108774.0313 102698.2656 215740.8125 322682.5 314597.8438 77172.2109 457064.7813 1499119.875 56495.6563 149286.7344 439325.5 317098.1875 642318.4375 136169.4531 127074.3516 602492 272669.1875 1099366.375 176502.3281 55041.5703 202009.3906 171841.7344 356379.3125 321138.7813 716420.1875 973195.0625 71134.6016 236518.7344 116112.375 114470.6719 573819.5 1343138.25 169304.9219 79032.875 77596.2344 388068.3438 609084.875 268032.3438 813549.9375 753705.25 107622.5469 373797.2188 222043.1406 148615.2969 532745.4375 331300.2188 423682.5313 790324.375 317812.3125 97543.5078 225393.1094 4027378.25 248357.9531 240387.9063 849623.5 1143231.125 149203.9063 35832.1758 294216.6875 211745.4375 132301.4688 483290.9688 496569.6875 786382.125 1506692.75 84523.2266 231335.1563 76344.8906 78074.5 62245.1328 377653.0313 400027.875 140715.4844 984165.6875 636797.5 624392 343016.8125 1459582.75 58026.0391 82226.6328 N-acetyl-isoputreanine 4081225 3199699.75 2581570.5 3047202.75 5010154 5570656.5 3217278 3688174.25 2825541.25 24691592 1672052.375 6674151 4002199.5 2711469.5 4053031.25 5780431 4503057 3575930.5 4194099.75 7895870 3726496.25 5035739.5 10694680 5525839.5 10139099 2732007.75 9652989 3454946.75 4995693 4297915.5 4700873.5 3333438.75 6886282 4618807 7785168 2994670 4672251.5 5738655.5 6238839 5706602.5 5792974 5728862.5 4122354 5116169 3450999 7220027 23719514 4848337 4284763.5 6703871.5 29127256 170579584 5587298 28352404 72950536 54028520 6042279 7108785.5 4247588 64574784 12502838 7535083 109568632 6036995 47648680 3468038.75 12249343 3589937.25 11140080 7925339 39783536 4331522 9702717 6004099.5 32556494 13745497 5214779 9342011 29780022 31454500 51680008 23533578 63538304 14398801 4005414.5 28532322 4963969 49078192 8781802 4737657.5 11761762 3067491.25 27148668 50176964 8189565 23384814 223484608 45732544 26406256 5264478 32371270 7710921 15463455 7484250.5 5908264.5 51627968 12267264 5007791 5265369.5 4751412 7190921.5 30556916 17560736 13082186 4072078 10794881 10355769 57466084 15767427 16061918 87437616 31024660 7786907 16357285 83219720 34165048 8584250 16171875 32678778 51463296 8517235 95426064 15712722 75940384 8291061 3006313.75 39815780 5947309 10143260 84150096 10441661 16358676 34701796 32872058 7157731 3893393.5 4103839.25 11804785 60510108 13860206 17796180 27717440 3274076.75 18577952 55316736 13007599 9883050 34191244 14689035 6094541 11443835 11052353 15148295 5230177 38746316 14318093 31508860 12341661 41796280 7641077.5 4809922.5 15983899 41067144 9840113 8124155 6758294 8502235 22150538 4273568.5 9739012 6386657 70644816 7400017 85536224 55135964 11069436 44963432 8314995.5 33680512 14158972 27088368 26616810 3724057.5 31822164 14640962 89358728 12182863 31113646 168199920 7823870.5 56902528 4016838.25 123107184 6779376.5 4645125 9436018 13082186 6833395 26571764 72799968 51772372 9269022 11508639 16879420 20099858 13156773 5010359.5 90636424 29135640 17866018 20356756 12239999 176245264 19264070 31632684 5404256 6017687 31366824 21828324 20208256 21087886 42137980 9981043 24524020 43362656 14996117 24990450 150214064 79930064 6568260 19359366 26270044 20674066 21391470 5902855.5 6319780 15993845 66406288 16544137 65116688 4235826.5 56806644 153993184 43220124 14704479 157527792 18783342 51989504 6870873.5 9251946 68743920 15306188 4686975 95835768 17090330 13678150 14069277 18083184 82159912 16930276 42755120 10631942 49272556 5932214.5 6606182.5 4900994 16902616 13820047 9485586 19994690 6057698.5 3989732.25 14862954 44902112 61738260 34878088 62720992 14268101 42879392 16090261 8774438 25346992 28834776 55455092 8869939 11036519 24950032 7916924 227581792 28734352 "N2-acetyl,N6,N6-dimethyllysine" 314797.4063 929133.5625 184690.6875 144068.4844 286765.7188 202601.1094 260235.6563 79961.9766 47432.1563 220403.375 81798.6953 471585.8125 92375.7578 315935.9375 216791.75 96916.375 250092.1875 321944.4063 1035478.813 313035.0625 129471.3047 330466.5 354739.8125 391500.1875 75428.5781 523589.4688 813907.6875 1588217.625 241680.8281 224434.5 162243.5313 218809.5938 1837854.5 206276.1875 117690.5625 308963.2188 737506.5625 984998 146449.9531 269246.1563 725007.375 98043.3047 1478865 1961778.125 580185.875 132267.9063 543793.375 1383652 437207.6875 315193.3438 1661154 156624.2344 4118415.25 229432.4688 1888905.125 1185832 1509790.75 78970.2266 9439027 86095 589649.5625 230281.2813 2085713.25 538158.6875 1320927.375 2468366.75 1452056.75 555472.3125 117732.5234 1836941.125 19109290 4222504 6556400 588964.9375 513318.5313 778364.25 49470.6992 12159206 134439.7188 448626.8125 279386 486757.5625 2128605.75 4980065.5 983917.4375 861358.4375 2914128.5 536987.3125 3046961.25 87494.2656 857085.3125 199038.7188 822741.9375 289235.9375 295945.4375 1331486.125 424729.1875 379670.6875 303576.25 9086576 4017128.25 927674.4375 303586.875 554447.6875 748688.9375 497070.0625 2585444.5 439129.375 393548.4375 1034405.938 2326525 111357.1172 8941208 3220762 295559.1875 401808.8125 68590.1563 1447142.375 1996095.375 148071.2188 9480891 163028.6875 4520427.5 94001.4063 1440666.875 172873.9844 5595764 320937.6875 450798.25 1273829.5 57924.7461 188416.375 51325.4531 1913138.75 1081279.5 532051.6875 1078298.75 571855.1875 2174216.5 3956166.25 614003.5 92180.4063 233665.3125 2166956 735725.625 65050.7344 45859.5273 500262.7188 180065.3125 554960 513077.4688 9927878 366962.0625 198118.2813 112568.375 145512.1875 2353180.5 341881.625 148957.1563 339316.4375 273067.9375 226132.6094 1774974.875 164800.9219 31165788 1970280.25 1387147.75 464040.75 432522.8125 3081102.5 6528743.5 814827.375 3999631.25 702367.25 665239.1875 1809510.375 717190.8125 265984.875 3641447.25 481754.2813 3560463.25 218926.6406 2542292.25 83322.1719 333975.5938 213917.3906 5428446 2817961.75 357977.0313 979124.0625 180178.9531 1304410.625 528749.625 110117.2969 54031824 1514393.5 590412.3125 2093410.75 8660909 617041.75 238358.75 210207.75 1803775.875 2883158.25 826040.6875 235494.9844 1583161 146506.0625 2256093.5 10179258 317629.2813 3446813.25 3513171 158569.3281 1370795 18017014 186348.5938 5013195.5 328509.0313 420129 682382.1875 1364580.75 115699.7734 4545957 126521.1641 1118071.125 10296680 35995376 244851.7344 1995647.375 4163128 412785.5313 1048640.875 311302.5313 43797692 619820.25 562460.875 2410093 11740182 2636816.75 173110.0156 1544801.375 343249.0625 3759214.25 150631.5938 581170.375 154524.1406 522771.5313 244523.1094 362794.4688 1079113 24299258 2438227 2850966.5 1299539.5 192175.6563 1244291.125 2993090 438235.1563 4618517.5 452139.9375 1578995.5 150618.2031 590122.6875 500467.5313 56050004 15144197 "N2-acetyl,N6-methyllysine" 313725.5625 570470.6875 189869.2031 139867.4063 215689.0938 175735.7188 253579.1719 117790.2891 171080.3906 354780.8438 63701.957 339657.5938 93796.9844 153247.1094 220229.3594 188781.8438 240901.5625 242229.2656 563880.25 334465.5 100377.2266 671930.125 522218.5 173909.8438 302876.0625 134857.8281 401041.875 830880.9375 1455776.125 102521.3203 205907.5781 287980.8438 230580.25 321684.0625 288590.4063 212241.9375 291450.875 1263957.75 436155.4375 271842.4063 485052.25 758277.25 810017.625 273331.9063 284304.5938 342012.3125 702117.5 355551.5625 71282.9688 1080709.375 808264.5625 806155.375 139103.4219 181858.5781 282934.25 173488.1563 186614.4063 564816.0625 68634.0391 732608.1875 410384.0313 363472.4375 251257.3281 204224.8438 374607.5313 139691.1563 568305.4375 148181.7344 438545.4063 71861.8906 733998.5625 144653.8281 626834.1875 289338.2188 136977.4844 328901.25 272155.3438 371727.0625 749218.625 915978.0625 791868.9375 657166.6875 440289.7188 578292.6875 348380.5 342768.9063 272129.125 1313651 155968.0469 157517.875 276472 64548.25 335459.625 145383.5938 229430.7656 534136.25 533842 382438.9688 366571.375 47741.875 421010.0313 306768.75 195117.375 274096.2813 285406.8438 898977.125 202541.7344 138300.0938 142734.0156 463321.6563 1704600.125 513102.7813 384251.7188 672454.5625 132134.25 287955.1875 100312.4063 1326552.125 351794.0625 300463.8438 718075.625 407981.3438 198840.4688 1664881.25 403019.4063 986080.3125 327388.5313 107141 229627.3906 514034.3125 167450.5156 976435.375 137406.4531 528746.625 131267.1719 125301.125 536841.625 215022.8438 325818.8438 985574.6875 343280.6875 185712.3281 711774.3125 514192.75 177753.3281 213274.9844 99162.9297 154629.5938 965419.25 122278.9609 139672.7656 418108.4375 357056.875 350838 817113.75 211990.4063 269315.2813 134067.3281 571252 361998.8438 63358.9453 211052.3281 187043.125 306582.2813 2281907.5 122819.2266 151597.1563 406281.5625 260990.5313 260560.625 1241007.25 226439.0469 154928.5938 528679.875 184456 317479.9688 750565.75 6218650 1171188.25 1199271.875 437197.5 152462.7188 1404921.5 1957809.5 169390.0781 1380735.25 55117.6094 393569.25 348380.5 471692.5313 475326.7813 280713.5313 738330.8125 244755.5469 1256042.375 235553.0156 1210274.875 114879.4688 231716.1094 491437.9063 2222078.5 1418669.5 509814.125 515553.0313 213344.6406 1286941.5 211808.6563 67827.3828 3713716.75 746405.375 346978.125 645811.5625 239427.2813 1032180.188 424363.2188 138288.0938 227827.0313 751230.25 542627.5625 458605.1563 461656 1999552.625 263664.9375 1119623.125 3382604 183209.9063 1099269.75 689994.1875 222251.6406 1021064.313 6053131 155865.4063 2158087.25 267236.75 212158.5156 370032.3125 666936.875 405603.4688 942977 93312.6719 701818.4375 3561388 3603680.5 146842.5469 171017.2969 785484.25 73735.6797 103358.0234 609639.4375 156510.6719 93493.3203 5425436 251022.8281 446949.3438 837986 1440057.75 962122 836191.25 396126.8438 895540.4375 244299.1563 110616.8594 119962.9375 721157.9375 349782.9063 387368.875 838017.3125 265481.1563 90261.7891 396171.9063 466962.4375 1136318 978365.375 432998.625 1014830.188 791976.6875 331805 491641.8125 476721 1652913.625 486222 241451.0469 220988.875 253218.875 5207116.5 7709976 3-hydroxypyridine glucuronide 1577084 4381833 634872.5625 902610.25 2001414.875 121519.9531 584543.875 222219.9531 350364.9063 487854.5 914492.4375 1128486.375 1125177.375 300189.8125 487854.5 705505.3125 234144.625 4533254.5 137198 502669.375 1666728.375 1487859.875 235006.5 4331315.5 242169.5938 207428.4063 1843485.625 54791.3047 72591.625 2165397 625955.6875 46244.5781 19635520 89526.4766 288864.875 1975005 99789.2578 366277.7188 66890.7891 382854.8438 145918.5156 522371.3125 9309902 49327.8945 1895508 733539.4375 78195.5859 373664.5625 219887.9219 1455468 245099.0469 312990.0625 3-hydroxyhexanoylcarnitine (1) 209611.3281 146350.8125 234041.7813 240671.7344 124161.7422 392601.4688 116437.9844 248360.6875 186739.2344 510802 212064.8125 357613.0938 251606.4063 87298.4141 159811.7656 331651.1875 217607.3281 366982.2813 297082.2813 142352.4063 453568.4063 486996.8438 194647.625 466695.5938 143248.2656 412717.5 394944.375 260542.1094 381720.1563 247428.8281 272197.125 142460.6875 594753.0625 364480.4063 215334.8281 58583.0703 198388.6563 307480.875 130151.7266 273004.2813 165017.4375 479533.9063 176353.5 253612.9375 603505.0625 136192.7344 133806.8125 183695.4531 223579.0781 119741.2969 5596162 4487069 409476.75 1189916.75 6545617 1608593.25 120366.7344 581856.6875 163848.9531 1215547.875 1672764.875 942322.1875 5558708 654278.3125 5062468 302830.5625 2804256 207155.4688 3969239.75 735725.5 2744269 347448.5 569505.375 690055.75 4384138 2165074.5 304518.75 1181109.5 1460889.125 3217391 2832490.25 5285623 3679332.75 4567201 565317 1397556.5 237796.4219 3367528 506096.875 304052.5938 1071712.25 227459.2969 3672833.25 2472124.5 1359097.75 2770107.25 6235154.5 3420878.75 2342536.5 272970.8125 547361.4375 880681 3870638 738361.0625 305265.0938 2269512.75 778729.75 375222.0313 237589.0469 824752.4375 858760.1875 1891883.75 786342.625 836588.5625 564557.25 1783141 1355021 8557995 2147051 1097142.375 3211447 9038377 171241.875 4756754.5 1171252.875 2748477.75 883874.4375 1653520.75 1341878.25 10119053 727031.4375 721883.0625 574116 3004268.75 557803.5 475913.9063 1329575.375 632084.5 419838 11506383 722364.25 847488.5625 6941754.5 2001332.75 365405.2188 188769.3906 723042 498237.1563 3823654.75 709672.1875 644079.625 2403267.5 685265.4375 4043558.75 7531970.5 913442.625 1124066.375 850746.25 1175188.875 372898 410354.7813 499658.3438 783416.25 488179.9063 5353157 1148741.875 4385687 1652673.125 1541515.375 810201.25 720118.4375 928731.3125 9016483 1442954 267194.7813 445265 2521055.25 1020712.688 364875.4063 905383.125 855978.9375 2129260 619459.3125 4596299 4194532.5 397476.5938 1724747.75 680620.5 3041850.75 3057712.25 1634762.75 1497475.125 572227 1521930.75 1637081.375 3147542 446074.0625 3613609.75 1531849.5 516213.0938 7903197.5 254071.9844 2233167.5 1810410.5 117055.1719 554698.625 736938 990694.9375 3438358.75 3068735.75 2228100.75 276798.5313 1012812.313 5815481 2571462.5 1061415.25 588137.375 3678388.75 2695811.75 1952129.625 600675.4375 729274.6875 10440045 3962624 985896.8125 334786.125 563087.5625 1894187.75 536534.375 1101600.5 937927.3125 5183761 836127.0625 3947384.25 7400305 1323611.25 1574812.125 6546403 2134028.5 460573.9063 998075.625 2449413.5 2685650.5 851498.875 770645.6875 658891 3842603.5 2544849.75 1149715.125 1517263.25 130707.8203 2236036 2439679 1102948.375 1012472.875 4956197 1306693.75 921397.25 234216.5313 1099919.75 11036053 1008206.688 344128.5625 8245146.5 1358027.625 983164.125 851115.625 1697388.375 3351000 521357.4375 1755770.125 557835.6875 7316307.5 787344.75 880681 394229.8438 1750538.125 740515.75 327327.5313 1181623.25 295254.8438 403500.5313 775073.1875 1218448.5 777236.25 1819945.125 1416862.375 541781.6875 3489452.25 1469170.125 335763.5625 222397.9844 1539400.125 1581252.5 404215.1875 1163792.75 1600996.875 443533.4688 2799487.5 2986913.25 3-hydroxyhexanoylcarnitine (2) 149759.5156 155228.3438 1590551.125 1273007.375 318118.5938 2336336.75 444515.3125 157134.0625 290383.2188 662413.1875 361547.5 1505440.75 330652.375 971000.6875 74991.5313 587064.25 994532.8125 296695 1060438.125 91005.2813 198864.3438 167849.3438 1549168.25 641338.375 265589.5 403056.5313 821829.0625 900279.625 1467422.5 1286087.125 1125922.5 183238.8906 463406.5313 1195213.375 121791.3359 58842.4102 415991 2023341.125 666277.5625 418631.7188 1080042.5 2386912.75 1423804 702293.25 106351.5156 142982.8906 270665.9688 1073642.5 181978.8594 99392.3359 1020014.25 270404.5 69812.9531 308400.3438 761759.125 298617.125 319562.7188 184147.75 593313.375 439413.3438 3278636 897448.625 345836.9375 743836.3125 2613764 1434180.5 255217.625 777618.9375 352022.625 360146.6563 252515.8125 2676187.5 233114.8906 145827.8125 154415.1094 1327130.25 172305.0156 130678.6563 442424.5 175183.0625 97218.6719 4760570 201244.0469 188613.1094 2479777.75 609662.125 89702.1641 194805.1875 153672.3906 1680172.25 272495.75 147689.5156 641945.6875 127187.1563 1217776.625 2441593.5 268431.9375 428491.5 350864.375 488868 115584.5234 122024.5547 286875.3438 1401927.375 324434.2813 1565384.25 567347.0625 576136.3125 226213.2813 226212.1094 288519.4375 2973475.75 382217.25 689348.125 340407.5313 296779.8438 315799.0938 533341.875 189570.8906 1624760.875 869302.4375 112008.4297 393768.1875 185905.0938 804622.4375 883501.125 458165 416899.4375 406748.1563 542793.875 791657.75 120455.6797 1517051.25 306892.3438 213388.4375 3157691.25 818876.3125 423506.3125 150892.6406 257469.5313 721171.0625 856578.0625 908970.9375 79326.4219 211174.3906 2285863.25 748338.8125 459022.9063 253155.6719 1074915.875 904989.5 763387.3125 218941.2031 2840668.75 1441697 294730.3125 81176.4297 194159.9219 707829.1875 129946.3359 431888.7188 282361.2813 2434708 283369.75 1017112.625 1486327.25 415991 561598.0625 1855512.625 401285.8438 134744.8125 547099.75 532096.5 742745.1875 81469.5 144915.3281 296859.75 1577235.125 816144.5625 270102.0938 264533.6563 801765.5 680142.875 274558.1875 434273.4063 2367754 573659.0625 168419.8281 289631.1563 3044406.5 316933.625 3695483.75 445680.9688 319669.4688 346104.5625 490831.7188 853749.8125 140046.0781 690579.75 133340.4531 2117454.25 192241.3125 183336.0781 415991 199038.9844 294989.4063 114170.0313 338517.3125 212962.1406 237154.0938 570482.75 341885.125 237818.5469 757930.25 440774.6875 663145.6875 352103.0313 143271.9688 391046.4375 719934.8125 135536.8906 587554.5 1144582.25 "N,N-dimethyl-5-aminovalerate" 521827 547289.8125 2920859.75 418480.6875 483040.2188 148337.75 358035.9688 943582.8125 464948.5938 1563941.625 401082.2188 189411.6094 224110.8281 398370.6563 101713.9297 194755.8594 237301.5156 3166294.25 443995.6875 2062776.375 1219890.75 450422 118149.5703 360033.2188 259052.7969 313766.8125 298371.0313 127482.6719 144432.2031 337875.8438 85379.4688 521827 2070648.5 106576.375 606495.1875 87731.8281 265808.5 422272.5313 2497230 520713.0625 300925.5625 1455777 1839380.875 244760.9375 272957.8125 1064061.75 1325698 765274.875 7259963 4305172.5 62789.0547 6055267 127323.2188 329941.4688 167671.0469 61317.2656 3024179 66976.1797 1756597.25 296542.125 286697.9688 3268344.25 1648761.5 1370014.125 2343864.75 955341.125 2569196.5 2357583.25 5878273.5 408536 506595.375 115065.2031 1240250.875 251632.4063 83817.6719 378888 557310.5 130726.0703 3008062.5 598461.375 694439.375 3028011 1213586.75 291206.2813 319917.875 3741581.75 286296.9063 4757726.5 10659210 1136905.375 469170.4688 401870.2188 10762316 1982689 110524.9297 1640920.75 3094919 553331.6875 505464.25 624998.75 336222.9375 292362.6875 1755637.75 1729741.25 806847.1875 1922827.125 134008.1719 3127118 8213620.5 640612 135367.8281 380161.0938 3853234 430395.6875 963088.25 463547.375 212964.625 352998.875 1238013.875 438249.4375 7129241 241751.4375 509580.0313 247170.6406 1028472.375 5284380.5 1198204.375 1326278.625 479287.9063 97300.3438 199187.5469 1502580.25 986166.625 1080263.875 974623.3125 371068.8438 2559205 160695.75 170365.3281 96918.4375 1001473.438 884075.75 864316.8125 63039.4258 474160.3125 2215992.5 396984.2813 337413.4688 737638.1875 92088.9219 169321.625 247151.3125 284523.625 160960.1719 1488739.5 372875 105924.5313 1778058.375 312872.5 1450077.375 528151.8125 10037964 488563.1563 884517.25 3727210.5 1044687.25 601617.6875 128476.7891 632745 479909.7188 2909375.75 2130903.75 442386.1875 515502.2188 4233628.5 3880475.25 747285.3125 874680.625 4317888 17713938 234505.7344 419937.4375 830454.375 439200.875 3156734.75 1639902.5 411439.1875 1545703.375 960328.5 1079504.625 400148.4375 280379 872622.125 67207.7891 635169.3125 391023.1563 94912.6328 186647.4219 197061.7031 1477936.375 3218940.5 180149.7656 1479029.75 2413333.75 26845.3242 17375416 1292803.125 265872.2188 1391859 169472.5 1120754.5 383374.8438 9817198 1403993 dimethylguanidino valeric acid (DMGV)* 416664.1563 37532.6914 206271.5781 87600.0703 516419.5938 2721224.75 91059.8984 88499.9844 149083.9219 580282.5 123200.1016 263287.8438 1423559.625 263910.2813 272417.375 917063.5 101724.3438 208538.4688 555661.25 108624.6641 76121.7813 192533.1094 250238.7969 644989.0625 346973.5625 89748.4141 158211.8281 293010.2813 213757.75 473819.4375 292955.875 89400.7656 114391.4453 517798.625 36658.4453 3680213.5 11262412 2472783.75 479646.9375 17603576 1361959.125 260894.375 267425.5625 50986.3711 24411906 3204959.25 623907.75 9811520 498077.7813 36723540 6799602.5 917398.625 1333234.875 697262.25 518881.3125 43010.6523 47933.4023 9978158 4966827.5 481934.2188 2870640 4098712.25 11945082 12142862 4462773 12120879 7033495 831488.1875 455666.1563 677610.8125 12180804 744436.25 221992.0156 3156062 5827749 1252105.25 785135.6875 16342384 8476378 3789264.25 404804.0625 430112.2188 112747.125 525846.1875 36175.0313 404816.8125 7516994 673561.875 23080.9043 4503656 879089.625 1291909 919753.6875 417193.25 12534436 85771.9531 80068.6641 23019106 253853.2031 8056599 2450658.75 1362818 5528463.5 4678910.5 13655114 556148.4375 23584102 153149.9375 11950186 292411.2813 783864.0625 1304956.875 2265928.75 13352517 10690102 725185.1875 3285109.5 1094268.25 112996.2422 9057060 412646.3125 1195727.625 6370532 9071079 28576324 1504645.25 112144.4219 341736.8125 378606.8438 401985.7188 544015.25 443579.2188 4323701 122743.7656 26628874 182349.7031 180591.5313 73413.7656 987752.5 1308272.875 708114.1875 6532193.5 1347597 165148.9531 2489770 104167.3438 221479.5 3103875 25590448 9148792 4480271.5 352887.3438 7143036 343671.8125 480884.5625 13078427 4150895.5 3165787.75 6282826.5 4533678 17176090 603606.0625 4192899 18149210 41117.9883 64117552 2671895.25 8949830 505412.625 926724 254479.375 22017854 3829180.5 4648042 2966168.25 1347597 1339398.375 76533.7734 30898052 2305191.75 4790542.5 4684471 7827758 13052830 95679.1875 724719.1875 10104450 4847828 648028.4375 1126459 462224.625 120864.1875 12316337 15040367 4485340 1496436.5 16095362 23529970 96384.0234 11669300 1953327.5 5033933 3745966 2338360.5 510247.4063 5063855 8408417 18958728 14490878 490638.9063 9621601 17716594 27447822 541210.3125 8426995 5462197.5 25088512 503043.125 4072781.75 5072112 1856675.125 2307162.25 5972527 50073.7305 1780806.625 1992079.375 11846798 672265.1875 10725631 204361.75 18671204 1570507.75 4677794.5 891834.1875 292139.5938 2414182.75 9217841 721346.9375 8288644.5 4165485.5 22443.752 20936626 2630742.75 17719892 4536759 5140219.5 837333.9375 310236.0625 23600752 9940731 5-hydroxymethyl-2-furoylcarnitine* 1058595.75 833090.125 5351818.5 356035.2188 870784.1875 510437.375 773168.9375 1420364.5 407555.5 1195943.5 2248120.5 3211597.25 827217.375 495526.0625 2908274.5 473387.1563 551449.875 103855.1172 5935676.5 1436823.25 1834084.5 1993185.5 1855155.25 2247634.25 1181944 3124673 273961.7188 120371.4297 2571438.75 7638758.5 248397.5781 323113.0625 2003180.125 598956.9375 419357.8438 1138362.5 2024586.625 2105429.25 469418.5313 6303892.5 1038636.063 2977932 867452.125 1167944.5 2826800.5 1081604.125 885095.0625 1139065.625 651378.5 1052268 617079.5 1290006.875 461982.7188 998343.0625 5540872 3648814 889328.25 1619018 601536.25 6171384.5 7654580 3456776.75 7936047.5 2007187.75 2915155.5 7162940 585460.0625 1120962.125 3084631.75 2926850 1181944 678847.1875 205686.2344 9927758 287999.875 6772271 17644780 1146048.625 2158790 5675191.5 "hydroxy-N6,N6,N6-trimethyllysine*" 1046753.5 868802.9375 1667791.375 1062346.875 687111.125 1573495.125 423548.2813 1193663.375 1545916.125 3141277.75 1142633.125 1294219.375 1374407.375 785606.125 949812.125 1116272.875 863493.1875 937015.375 965072.0625 1924356.625 948119.5625 1558589.625 1977653.375 945684.3125 2448208.75 834637.75 1720062 577453.8125 1167560.5 1568508.5 1157249.25 782217.375 1648319.875 1743584.75 1703678.5 803635.9375 1336984.625 2147385.25 951538.1875 1364219.875 741749 1838948.125 883425.375 1272543.125 1927639.25 1304171 1426486.625 1008766.563 1046350.125 1074850.25 15488409 4639159 1478857.625 5374280 15154838 10773482 996414.125 676692.4375 503381.6875 11753557 6716251.5 1920408.625 12008659 1004902.875 16669566 520761.3125 10937931 572398.25 4596133 858248.3125 10811654 867321.125 970456 1159985.375 21688658 5820020 758726.75 1998193.375 4678673 6287687.5 7584995 10892685 10225801 7054107.5 552380.5625 3187119.5 635203.375 6224306.5 1560628.875 476793.4375 1622143.5 506738.7813 14567520 8954784 5220878 4506904.5 20428822 10953280 12360139 385770.7188 1421044.5 1881243.75 10071423 1963350.625 669615.9375 5613068 3335255.5 843767.5625 633324.9375 681079.3125 2224220 8378453 2276839 1661689.25 912243.0625 2023385.75 2042326 10765150 3037626 2843203 10609200 25378716 659154.3125 11661137 10286923 2293646.5 1776962.75 3981904.5 7245698 19763526 1199805.375 11089343 954009.75 14948319 1513793.25 547812.0625 3847332.25 1134312.875 1471227.5 19421444 2331157 2735132.75 22437044 6017899.5 430693.2813 781204.3125 1074372 1201409.75 9363768 1402963.625 3233042.75 5312449.5 570165.4375 4818433 26668216 4188999 1534348.75 2547359.5 4773718.5 1184579.625 1419080.875 1109731.5 5162208 1111347.625 16323719 3948790.75 4380635.5 1613789.25 2368497 3151355.25 2613375.25 1608033.75 14755890 2209194.75 1282969.75 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63626.2148 231493.4063 254169.7188 556103 510245.2188 252797.7344 867263.625 503214.5313 253307.7344 54729.8633 801040.625 197990.5781 277292.875 172515.0781 139074.6563 85883.4609 360907.6563 131417.2969 178009.6719 296830.2188 2184315 245988.9688 118065.6094 294184.1875 462355.0313 320900.1563 64576.3008 133152.375 719404.375 310955.7188 611330.9375 301722.7188 76934.4531 626507.4375 263972.4375 S-carboxyethylcysteine 323104.1875 788563.375 413424.4688 241512.1563 487992.5938 275169.4375 422458.5 423446.9375 453639.5625 1257209.5 529050.625 288082.5938 456994.6875 193741.2344 616212.0625 281331.1875 392987.0625 551952.875 428299.5625 339928.0313 199958.1875 732779.25 509786.4375 631580.6875 3805227.75 276259.0313 194637.8906 294953.625 388200.0313 131361.5781 368182.2188 271182.7813 326417.4375 418749.8125 515324.6563 547365.9375 377298.5313 423250.75 434673.6563 362919.5625 245346.4688 232666.375 278356.2813 276923.7188 285064.2188 716230.25 314776.75 807266.625 414159.4688 381884.1875 617837.5 409808.25 352031.5313 193975.2031 329240.5313 425957.375 631200.1875 185209.2969 117639.7266 670643.25 199987.9688 151893.7344 415675.5625 229320.125 458522.8438 57699.5859 863333.875 433377.375 308030.25 59979.5664 293025.4688 55275.0313 199050.3906 61646.1758 486298.8125 331683.4688 184649.375 110504.4922 149144.9688 287507.7813 553737.8125 443072.9688 562321.4375 216101.1563 64862.8594 208479.625 82148.4609 334350.75 84964.6953 100767.7109 87614.4453 109724.6406 378839.25 533041 444107.8125 243117.4219 632082.5625 256629.0625 839338.875 100754.5625 151992.75 213547.7969 137927.3281 139416.9375 130957.7109 337666.4688 181405.5313 91596.9688 88022.7813 520574.75 432925.2188 170814.4063 177627.1719 149691.7344 152693.75 105785.9375 506739.75 189767.5 163354.9688 335644.9375 659083.875 201638.8125 304945.8438 456708.1563 270687.4688 130304.9063 243441.6406 200580.3125 729203.3125 224048.6719 846312 197664.9219 920694.75 172343.1719 106544.7031 273902.9688 114771.1641 111824.4219 1165893.625 549467.9375 88142.6875 279020.9688 446822.5 140472.375 172188.0781 135193.7656 176599.9531 332955.5 235326.9219 251698.4375 211167.8125 73054.7969 423206.7813 1256690.5 324799.4375 60012.7891 484103.9063 351756.7813 139408.75 88797.1563 72023.0469 269854.0625 190844.1875 727718.875 291382.75 253021.7344 145251.625 174115.1875 217337.375 144681.8594 231713.6094 566686.375 158729.2188 503440.875 237281.5 270682.3125 233571.4063 101153.8906 217514.4688 515274.0313 865336.9375 174358.2656 676055.75 208915.125 201916.2031 388723.5938 161194.0938 494783.2188 456508.5938 349536 903058.25 143413.6406 319327.2188 158855.7031 917880 103459.3672 582798.3125 1899383.875 100614.9141 959136.625 144368.375 297228.2813 246973.0938 140054.4063 210689.875 175721.7813 56826.75 440962.4688 203764.7188 481533.3438 221341.1719 88404 298192.125 312015.8125 357102.5 286607.2813 1125813 414182.8438 264091.9688 349258.8125 139699.125 1252641.5 220426.0156 259150.5469 179388.4219 87558.375 261444.875 209998.1406 516506.3438 336620.2188 634939.9375 123003.125 500660.5313 513683.9063 250004.5313 241948.5469 522696.4375 388006.4375 122405.8516 308834.875 512407.0938 415191.4688 194891.5156 279549.0938 93712.7891 366904.0938 651493 558019.125 649378.625 73300.1797 184827.5156 762477.0625 1951998.5 113047.5547 1358370.125 351139.7188 3866580.25 106476.5078 271077.2188 611727.5625 202732.8125 91333.6094 382745.5313 123603.4141 104250.7656 85634.1484 161608.6094 280110.5313 123592.6953 828586.75 198319.3906 631466.0625 107595.2578 116310.6406 308523.5 86985.7656 263601.3125 175469.875 539864.3125 103578.6875 189477.4531 960293.4375 481668.75 296031.8438 319351.25 101407.3594 238881.6719 207129.3281 317195.6875 714268.6875 140737.4375 451126.5625 51933.7188 94963.4219 272869 92037.5781 1162097.75 323174.8125 N-acetyl-2-aminoadipate 209824.9688 197207.1875 182977.1094 246550.7969 204532.5938 391581 236254.2344 192596.3438 371089.875 412864.0625 284705.9688 299674.375 260458.0156 166793.9219 149460.125 292749.6875 238660.6094 130015.5 203194.7656 198462.9688 196066.0469 216357.3438 326218.2188 303262.2188 379329.0625 163373.7813 328291.8438 140645.4844 276201.7813 192210.125 93628.0859 227814.2656 264600.6563 313175.0313 266273.4063 134789.4844 403505.3438 355383.4375 175094.5625 144808.2813 215801.0781 342696.25 199791.9688 193486.0156 288145.5313 259237.7344 365277.7813 174496.125 164975.1094 178497.4375 1370201.125 1208973 373416.3125 581233.5 1969134.375 1544949.375 274320 293301.8438 79647.5 2177890.75 630226.875 85624.5547 3179972.25 278951.875 1534172.25 177735.2188 972487.4375 117650.1484 420523.9375 155472.9531 1651525.75 79358.2656 345246.4063 201251.1406 2142671 906119.1875 145969.4063 438255.25 867180.5 1240760.875 1493794.625 1970327 1159373.875 1041029.563 189449.5313 1781838.75 117764.7813 571156.75 137638.5313 185376.1406 859168.3125 76742.5781 673407.3125 935325.0625 637297.75 2919927.5 4961286.5 1715545.375 1167366.125 182340.7969 340378.9688 334024.3125 1469088.25 298856.0938 227472.1875 728808.9375 321036.3125 195863.0625 155672.7813 192006.3281 261695.9063 624834.625 290327.5 313229.25 179544.2031 481070.6875 450936.125 1957976.5 320629.3125 275726.1875 832478.25 2731762 74253.1016 5254112.5 1342623.375 411623.0313 314577.5938 508141.5313 757608.8125 2028343.375 1697923.5 3812112.25 289977.6875 835972.5 112859.1094 89911.8828 661915.25 262663.25 254582.7969 1668657 232076.3438 465286.3438 1401136 470024.2813 93432.4922 153197.2969 92235.6016 237247.3125 830532 1679094.25 404525.125 796321.3125 101741.6484 693978.3125 2500870.25 540346.0625 1037371.438 528317.75 679704.1875 110221.0859 357033.8125 194658.4063 551533.625 200018.1406 2216958 1000687.188 728600.625 368781.8438 284614.0625 299552.8438 449621.6563 577064.375 2136589.25 552694.5 207695.7656 395586.375 799179.3125 693966.625 190479.9844 442697.1875 181249.3281 1083795.25 252469.25 4903531.5 899952.6875 215554.375 790256.125 280252.9375 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164154.0469 530297.5625 2000628.75 821129.9375 826559.0625 1562007.625 1416485.25 486265.2813 103790.2734 1181594 540799.1875 2522199.5 152729.2344 315358.625 707641.375 182638.8906 4079910.25 1222446 3-hydroxyoctanoylcarnitine (1) 992266.75 1344574.25 1410338.875 820143.875 194997.6719 1367617.375 316838.0313 1392139.375 453518.2188 4233925 871614.625 2001186.25 875105.8125 359743.7813 744439.9375 1298093.625 991554.9375 1563650.875 2613176.75 380227.75 3296599.5 3713365.25 1451671.25 3155008.25 462836.7188 3280536 2774547.5 1870537.125 1504985.625 1515967.375 1031788.375 499486.3125 5223917 3021794.5 1137303 226679.3125 769976.125 2117606.25 382615.3438 1496425.375 716667.5625 3285959.5 717501.25 745762.25 5912075.5 295257.6563 2143991.25 617462.0625 1031151.25 246780 14385872 12486466 1443015.625 3104351.5 22018220 6227879.5 491170.8438 2112329.5 974673.5 4528769.5 3560775.75 3832996.25 14106045 3229188.25 12969059 959052.3125 9896520 1301288.375 9829854 3276196.5 7161688 2005941.875 2366933.25 1446817.5 8152428.5 6998134.5 3356181.5 2415339.25 5022750 8512558 10225982 16323768 8083498.5 14768123 1623423 3987827.5 2440202 12099295 2380777.5 827857.25 2828913 1248117.5 8539385 5863175.5 5301277.5 5284992.5 17766856 8304797.5 10239823 643209.1875 2639654.75 2201734.25 10975649 1987234.125 1229167 11547160 3180196.25 2523421.75 1063032.375 3204982.75 1030628.625 6747069.5 3949103 4297651.5 1673156.25 4229898 3434438.5 23571360 8218032.5 3842761.25 9275557 34228076 816022.9375 11598554 4363639.5 5134364 2934467.25 7643790.5 2766045.75 41156636 2196629.25 3167316 2312552.25 11037302 2145613.25 2223651 3349016 2151153.25 1739801.75 22691792 1338886.875 3024627.75 20701430 5435325.5 1700965 215977.1406 2754865.75 2154931 12757630 3212912.75 3207006 7355669 1148095.25 13088466 18570042 2648841 3903403.5 2149113.5 3765080.25 3394140.75 1370889.25 1733068 2452833.5 1839294.25 23366456 3276196.5 20205882 7170201 4614751 4373995.5 3224922 2718680.75 12508804 4549920 941966.0625 1536370.125 10045871 4406575 1168379.75 4429283 5051941.5 7010982 1606082.375 12840835 8502668 1693547.75 8249547 1850778.75 6600676.5 15371628 4723325 4052685 2737875.75 2871457 4212010.5 7672230.5 1566534 15338537 2674808.25 1872334.625 25411106 1239671.875 10871398 7267826 625552.125 1971434.25 1876476.375 4272523 12436708 6124251.5 8202401 1087375.375 3102282.25 13121106 7221615 5028975.5 4843813 8330438 7251856.5 4353472.5 1738340.125 1797657 28964252 19863916 2636375 2139547.75 1705546.625 5464511.5 1970784.875 3188365.25 3579507.75 11298111 3305213.5 12421995 17327536 3392033 4116853.75 17672072 5293800 3174767.25 3325623.25 10653856 5243401 2724518 2037030 2040621.75 11779362 7914884 7283114 6648041 900802.6875 9844694 10717416 4516556.5 4489121.5 12127412 2649194.5 4693679 753076.1875 3271857 15685056 3522016 2214662 13753635 3737477.5 3012850 2028281.625 5283500 9112701 2174095.5 5171898 2017301.625 15385589 2771938.5 2177908.5 1186077.25 6962527 2545022.5 3217016.5 3597259.25 1377174.75 965717.3125 2721018.75 8875449 1803499.625 4517302.5 6564532 3680444.75 9941056 4359468.5 2255330.5 637529.8125 3289741.75 6095468.5 1663160.375 7165935.5 4709981 1901357.625 9319429 12255460 3-hydroxyoctanoylcarnitine (2) 394840.4063 532863.4375 628995.75 448131.5625 91277.0391 709227.125 122195.1172 558233.9375 227619.1563 1630991.375 456255.3125 936868.125 498489.4063 130031.5703 313158.6563 679812.25 438526.5 823969.6875 1298310.875 208116.0938 1858446.5 2029520.625 637995.9375 1545112.125 178317.6094 1968380.625 1638045.5 997580.3125 716919.0625 730471.0625 630542.625 372352.875 2364037.75 1414469.375 654024.4375 91552.4531 437758.8125 875692.8125 233910.1719 652841.25 358336.4063 1121502.5 332608.5625 293876.25 2445897.75 121427.8281 697821.5 297463.5625 307565.8438 150331.75 5293950.5 3647508.75 525035.125 1123486.25 6277939.5 1677235.75 154650.4531 1083821.75 450367.6563 944717.625 1692432.25 1626777.375 4641505.5 1824219.375 3196430 456980.9375 1970272.875 583726.125 3605679.75 1464905.625 2516819.75 964542.125 885750.625 607980.625 2731247.5 2574847 1232169 905785.3125 1539168.125 2723168.25 3589698.25 6464514 2448763.25 5154744.5 763366.4375 1319122.375 973579.8125 4545265 893152.875 404372.4063 1206828.625 528602.3125 4079298.75 2194596 1576130.5 2954451.25 5238572 2746358.5 1866759.5 384402.625 728762.625 916870.8125 3588892.5 781245.375 602178.125 4798654.5 1073636.375 1004652.063 480210.2813 995521.0625 613111.875 2365699.25 1594250.5 1601988 841532.875 1558343.25 1312705.5 9170493 3253218.5 1174758.75 2304980.75 8634786 355236.0938 3652838.75 907185.4375 1830960.125 1103503.375 1907869.375 914042.25 10205433 713642.5 766042.375 1363315 3365528.25 809606.5625 730691.875 1154763.125 968197.9375 885374.125 10580937 879419.4375 1159970.25 8010405 1140545.25 929210.8125 155853.3281 1135925.875 961471.6875 4267096 1199882.375 998619.375 2064138.5 469839.6563 3927544.25 5182418 1169089 1315379.625 746138.3125 1512201 1417200.25 593073.4375 788901.25 802442.4375 909351.4375 6146093.5 1232169 8183210 2874061.75 2313293.5 1712960 1071656.125 1258238.125 3271415.5 1903134.25 446187.5313 628173 3160562.5 1706449.75 528200.25 1706542.125 1896717.625 1854001.625 573642.25 3602321.75 2925754.75 694097.25 3580171.5 715171.25 3032128.75 4860897 2252768.5 1206099.875 977444.875 1037757.625 1821991.5 1799548.75 533893.375 5120353.5 684048.75 680380.875 6867120 524671.5625 3318902 2346208.25 206876.9844 723888.4375 595439.9375 1520125 3144857.75 2071306.5 3153856.75 416699.5 1488509.5 6070446.5 2421468.25 1857389.75 1917109.875 2401019.75 2396437.5 2018884.625 546466.3125 811642.625 8562694 6515184.5 1144946.125 742271.6875 771227.25 2207901.25 629949.4375 1267263.875 1083044.25 3929491.5 1179574.25 3530213.25 4652615.5 1467848.25 1662049.25 6205764.5 1436370.875 1515212.375 1670601.5 3964017 2293389.75 850994.9375 675019.1875 1058698.125 4535973 2081290.75 2011876.25 1953319.125 478210.4063 4033162 2686215.25 1179605.375 1763493 7593249 807205.75 1048791.125 341679.4375 1170384.75 7338028 1388481.25 1071755.75 6719724.5 1806181.375 1084921.625 897098.25 2000730 2390787.25 831093 2548235.5 1028480.563 4649786 1065453 740732.375 531828.75 2224758.25 1187201.375 1334894.25 1613537.75 527049.625 457130.2813 1042190.75 1238951.875 681095.4375 1979485.125 1826664 1457931.125 2731234.5 1825289.25 906623.8125 227331.8438 1567837.125 1700588.75 722173.125 2081078.625 1927230.25 797129.625 2280071.75 4506534 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name cas hmdb kegg pubchem platform S-1-pyrroline-5-carboxylate 2906-39-0 HMDB0001301 C04322 11966181 Pos Early spermidine 124-20-9 HMDB0001257 C00315 1102 Pos Early 1-methylnicotinamide 1005-24-9 HMDB0000699 C02918 457 Pos Early 3-phosphoglycerate 80731-10-8 HMDB0000807 C00597 724 Pos Early "5,6-dihydrothymine" 696-04-8 HMDB0000079 C00906 93556 Pos Early hypoxanthine 68-94-0 HMDB0000157 C00262 "790,135398638" Pos Early quinolinate 89-00-9 HMDB0000232 C03722 1066 Pos Early N-formylkynurenine 1022-31-7 HMDB01200 "C15605,C02406,C02700" 910 Pos Early N('1)-acetylspermidine 14278-49-0 HMDB0001276 C00612 496 Pos Early "N6,N6,N6-trimethyllysine" 23284-33-5 HMDB0001325 C03793 440120 Pos Early N-acetylputrescine 18233-70-0 HMDB0002064 C02714 122356 Pos Early AMP 149022-20-8 HMDB0000045 C00020 6083 Pos Early 5-methylthioadenosine (MTA) 2457-80-9 HMDB0001173 C00170 439176 Pos Early arginine 1119-34-2 HMDB0000517 C00062 6322 Pos Early argininosuccinate 156637-58-0 HMDB0000052 C03406 60150382 Pos Early aspartate 56-84-8 HMDB0000191 C00049 5960 Pos Early beta-alanine "107-95-9,56-41-7" HMDB0000056 C00099 239 Pos Early carnosine 305-84-0 HMDB0000033 C00386 439224 Pos Early phosphocholine 72556-74-2 HMDB0001565 C00588 1014 Pos Early creatinine 60-27-5 HMDB0000562 C00791 588 Pos Early cysteinylglycine 19246-18-5 HMDB0000078 C01419 439498 Pos Early cystine 56-89-3 HMDB0000192 C00491 67678 Pos Early cystathionine 535-34-2 HMDB0000099 C02291 439258 Pos Early gamma-glutamylglutamate 1116-22-9 HMDB0011737 C05282 92865 Pos Early glycine 56-40-6 HMDB0000123 C00037 750 Pos Early guanidinoacetate 352-97-6 HMDB0000128 C00581 763 Pos Early hypotaurine 300-84-5 HMDB0000965 C00519 107812 Pos Early inosine 5'-monophosphate (IMP) 4691-65-0 HMDB0000175 C00130 8582 Pos Early isoleucine 73-32-5 HMDB0000172 "C06418,C00407,C16424" 6306 Pos Early 2-aminoadipate "1118-90-7,542-32-5" HMDB0000510 C00956 92136 Pos Early citrulline 372-75-8 HMDB0000904 C00327 9750 Pos Early saccharopine 997-68-2 HMDB0000279 C00449 160556 Pos Early leucine 61-90-5 HMDB0000687 C00123 6106 Pos Early lysine 56-87-1 HMDB0003405 "C00739,C00047" 5962 Pos Early methionine 63-68-3 HMDB0000696 C00073 6137 Pos Early nicotinamide 98-92-0 HMDB0001406 C00153 936 Pos Early ornithine 3184-13-2 HMDB0000214 C00077 6262 Pos Early phenylalanine 63-91-2 HMDB0000159 C00079 6140 Pos Early phosphate 7664-38-2 HMDB0001429 C00009 1061 Pos Early proline 147-85-3 "HMDB0000162,HMDB0003411" "C00148,C000763" "8988,145742,614" Pos Early serine 56-45-1 HMDB0000187 C00065 5951 Pos Early serotonin 153-98-0 HMDB0000259 C00780 5202 Pos Early taurine 107-35-7 HMDB0000251 C00245 1123 Pos Early urea 57-13-6 HMDB0000294 C00086 1176 Pos Early trans-urocanate 104-98-3 HMDB0000301 C00785 736715 Pos Early glutamate 56-86-0 HMDB0000148 "C00025,C00217" 33032 Pos Early glutamine 56-85-9 HMDB0000641 C00064 5961 Pos Early threonine 72-19-5 HMDB0000167 C00188 6288 Pos Early tryptophan 73-22-3 HMDB0000929 C00078 6305 Pos Early valine 72-18-4 HMDB0000883 C00183 6287 Pos Early adenosine 58-61-7 HMDB0000050 C00212 60961 Pos Early betaine 107-43-7 HMDB0000043 C00719 247 Pos Early cysteine "56-89-3,52-90-4" HMDB0000574 C00097 5862 Pos Early dimethylglycine 1118-68-9 HMDB0000092 C03626 673 Pos Early alanine 56-41-7 HMDB0000161 C00041 5950 Pos Early tyrosine 60-18-4 HMDB0000158 C00082 6057 Pos Early cytidine 65-46-3 HMDB0000089 C00475 6175 Pos Early cotinine 486-56-6 HMDB0001046 408 Pos Early caffeine 58-08-2 HMDB0001847 C07481 2519 Pos Early thiamin (Vitamin B1) 59-43-8 HMDB0000235 "DG00125,C00378,D08580" 1130 Pos Early adenine 73-24-5 HMDB0000034 C00147 190 Pos Early cytosine 71-30-7 HMDB0000630 C00380 597 Pos Early asparagine 70-47-3 HMDB0000168 C00152 6267 Pos Early hydroxyproline 51-35-4 HMDB0000725 C01157 5810 Pos Early picolinate 98-98-6 HMDB0002243 C10164 1018 Pos Early sarcosine 107-97-1 HMDB0000271 C00213 1088 Pos Early pipecolate 4043-87-2 HMDB0000070 Pos Early phosphoethanolamine (PE) 1071-23-4 HMDB0000224 C00346 1015 Pos Early 3-ureidopropionate 462-88-4 HMDB0000026 C02642 111 Pos Early gamma-glutamyltyrosine 7432-23-7 HMDB0011741 94340 Pos Early methyl indole-3-acetate 1912-33-0 HMDB0029738 74706 Pos Early 4-acetamidobutanoate 3025-96-5 HMDB0003681 C02946 18189 Pos Early 3-aminoisobutyrate "214139-20-5,10569-72-9" HMDB0002166 C05145 64956 Pos Early 2-aminobutyrate 1492-24-6 HMDB0000452 C02356 80283 Pos Early gamma-glutamylglutamine 10148-81-9 HMDB0011738 C05283 150914 Pos Early N-acetylneuraminate 131-48-6 HMDB0000230 C00270 439197 Pos Early N-acetylglucosaminylasparagine 2776-93-4 HMDB0000489 C04540 123826 Pos Early acetoacetate 3483-11-2 HMDB0000060 C00164 96 Pos Early creatine 57-00-1 HMDB0000064 C00300 586 Pos Early "cys-gly, oxidized" 7729-20-6 333293 Pos Early gamma-glutamylhistidine 37460-15-4 HMDB0029151 7017195 Pos Early 1-methyladenosine 15763-06-1 HMDB0003331 C02494 27476 Pos Early choline 67-48-1 HMDB0000097 C00114 305 Pos Early anthranilate 118-92-3 HMDB0001123 C00108 227 Pos Early gamma-glutamylleucine 2566-39-4 HMDB0011171 151023 Pos Early 3-methoxytyrosine 300-48-1 HMDB0001434 9307 Pos Early dopamine 62-31-7 HMDB0000073 C03758 681 Pos Early carnitine 461-05-2 HMDB0000062 "C00487,C00308" 288 Pos Early xanthurenate 59-007 HMDB0000881 C02470 5699 Pos Early methionine sulfoxide 3226-65-1 HMDB0002005 C02989 158980 Pos Early 5-hydroxylysine 13204-98-3 HMDB0000450 C16741 3032849 Pos Early 4-guanidinobutanoate "463-003,463-00-3" HMDB0003464 C01035 500 Pos Early glycerol 3-phosphate 29849-82-9 HMDB0000126 C0093 754 Pos Early imidazole lactate 14403-45-3 HMDB0002320 C05568 793 Pos Early kynurenine 2922-83-0 HMDB0000684 C00328 161166 Pos Early glycerophosphorylcholine (GPC) 28319-77-9 HMDB0000086 C00670 71920 Pos Early N-acetylglutamate 5817-08-3 HMDB0001138 C00624 70914 Pos Early N-alpha-acetylornithine 6205-08-9 HMDB0003357 C00437 439232 Pos Early xanthosine 146-80-5 HMDB0000299 C01762 64959 Pos Early theophylline 58-55-9 HMDB0001889 C07130 2153 Pos Early theobromine 83-67-0 HMDB0002825 C07480 5429 Pos Early gamma-glutamylphenylalanine 7432-24-8 HMDB0000594 111299 Pos Early 1-methylguanidine 22661-87-6 HMDB0001522 C02294 10111 Pos Early levulinate (4-oxovalerate) 123-76-2 HMDB0000720 11579 Pos Early hexanoylcarnitine (C6) 6920-35-0 HMDB0000756 6426853 Pos Early N-acetylaspartate (NAA) "997-55-7,997-55-7" HMDB0000812 C01042 65065 Pos Early acetylcarnitine (C2) 5080-50-2 HMDB0000201 C02571 7045767 Pos Early trizma acetate 6850-28-8 C07182 16218782 Pos Early "2,3-dihydroxypyridine" 16867-04-2 28115 Pos Early iminodiacetate (IDA) 142-73-4 HMDB0011753 C19911 8897 Pos Early homoarginine 156-86-5 HMDB0000670 C01924 9085 Pos Early 3-hydroxykynurenine 2147-61-7 HMDB0000732 C02794 89 Pos Early guanidine 50-01-1 HMDB0001842 C17349 3520 Pos Early N-acetylglycine 543-24-8 HMDB0000532 10972 Pos Early 1-methylhistidine 332-80-9 HMDB0000001 C01152 92105 Pos Early butyrylcarnitine (C4) 25576-40-3 HMDB0002013 C02862 439829 Pos Early isobutyrylcarnitine (C4) 25518-49-4 HMDB0000736 168379 Pos Early trigonelline (N'-methylnicotinate) 535-83-1 HMDB0000875 C01004 5570 Pos Early "glutamate, gamma-methyl ester" "1499-55-4,1499-55-4" HMDB0061715 68662 Pos Early 3-methylxanthine 1076-22-8 HMDB0001886 C16357 70639 Pos Early threonylphenylalanine 16875-27-7 HMDB0029068 7010580 Pos Early gamma-glutamylvaline 2746-34-1 HMDB0011172 7015683 Pos Early 3-methylcrotonylglycine 33008-07-0 HMDB0000459 C20828 169485 Pos Early propionylcarnitine (C3) 17298-37-2 HMDB0000824 C03017 107738 Pos Early prolylhydroxyproline 18684-24-7 HMDB0006695 11902893 Pos Early 4-imidazoleacetate 645-65-8 HMDB0002024 C02835 96215 Pos Early 1-methyl-4-imidazoleacetate 2625-49-2 HMDB0002820 C05828 75810 Pos Early guanidinosuccinate 6133-30-8 HMDB0003157 C03139 439918 Pos Early gamma-glutamyl-epsilon-lysine 17105-15-6 HMDB0003869 7015685 Pos Early N-acetylarginine 155-84-0 HMDB0004620 C02562 67427 Pos Early N-acetylthreonine 17093-74-2 HMDB0062557 152204 Pos Early gamma-glutamylglycine 1948-29-4 HMDB0011667 100099 Pos Early gamma-glutamyltryptophan 66471-20-3 HMDB0029160 3989307 Pos Early stachydrine 4136-37-2 HMDB0004827 C10172 115244 Pos Early nicotinamide riboside 1341-23-7 HMDB0000855 C03150 439924 Pos Early gamma-glutamylmethionine 17663-87-5 HMDB0029155 7009567 Pos Early gamma-glutamylthreonine 5652-48-2 HMDB0029159 76078708 Pos Early nicotinate ribonucleoside 2625-49-2 HMDB0006809 C05841 161233 Pos Early N-acetylproline 1074-79-9 HMDB0094701 322640 Pos Early isovalerylcarnitine (C5) 31023-24-2 HMDB0000688 C20826 169235 Pos Early 7-methylxanthine 552-62-5 HMDB0001991 C16353 68374 Pos Early 1-methylurate 708-79-2 HMDB0003099 C16359 69726 Pos Early N1-methylinosine 20245-33-4 HMDB0002721 650095 Pos Early "N2,N2-dimethylguanosine" 2140-67-2 HMDB0004824 135501639 Pos Early N4-acetylcytidine 3768-18-1 HMDB0005923 107461 Pos Early cysteine-glutathione disulfide 13081-14-6 HMDB0000656 R00900 3080690 Pos Early 7-methylguanine 578-76-7 HMDB0000897 C02242 135398679 Pos Early 3-methylcytidine 21028-20-6 HMDB0240577 14237477 Pos Early N1-Methyl-2-pyridone-5-carboxamide 701-44-0 HMDB0004193 C05842 69698 Pos Early N1-Methyl-4-pyridone-3-carboxamide 769-49-3 HMDB0004194 C05843 440810 Pos Early gamma-glutamylisoleucine* HMDB0011170 22885096 Pos Early gamma-glutamyl-2-aminobutyrate 16869-42-4 Pos Early 2-methylbutyrylcarnitine (C5) 31023-25-3 HMDB0000378 6426901 Pos Early malonylcarnitine 853728-01-5 HMDB0002095 22833583 Pos Early glutamine_degradant* 2353-44-8 Pos Early homostachydrine* 1195-94-4 HMDB0033433 C08283 441447 Pos Early N-acetylcitrulline 33965-42-3 HMDB0000856 "C15532,C02851" 656979 Pos Early glutarylcarnitine (C5-DC) 102636-82-8 HMDB0013130 71317118 Pos Early beta-hydroxyisovaleroylcarnitine 99159-87-2 Pos Early 2-methylmalonylcarnitine (C4-DC) 149181-64-6 HMDB0013133 53481628 Pos Early tiglyl carnitine (C5) 64191-86-2 HMDB0002366 22833596 Pos Early N-acetyl-aspartyl-glutamate (NAAG) 3106-85-2 HMDB0001067 C12270 188803 Pos Early glycerophosphoethanolamine 33049-08-0 HMDB0000114 C01233 123874 Pos Early glycerophosphoinositol* 16824-65-0 167572 Pos Early ectoine 96702-03-3 HMDB0240650 C06231 126041 Pos Early deoxycarnitine 6249-56-5 HMDB0001161 C01181 22620 Pos Early 1-ribosyl-imidazoleacetate* 29605-99-0 HMDB0002331 C05131 440569 Pos Early tryptophan betaine 20671-76-5 HMDB0061115 C09213 442106 Pos Early N6-carboxymethyllysine 5746-04-3 HMDB0240347 123800 Pos Early dimethylarginine (ADMA + SDMA) 102783-24-4 "HMDB0003334,HMDB0001539" "C21189,C03626" "123831,169148" Pos Early gamma-glutamylalanine 5875-41-2 HMDB0029142 C03738 440103 Pos Early cyclo(gly-pro) 3705-27-9 193540 Pos Early succinylcarnitine (C4-DC) 256928-74-2 HMDB0061717 71464481 Pos Early N-methylproline 475-11-6 HMDB0094696 643474 Pos Early 2-hydroxyglutarate 40951-21-1 HMDB0059655 C02630 43 Pos Early cysteine sulfinic acid 207121-48-0 HMDB0000996 C00606 109 Pos Early "N1,N12-diacetylspermine" 61345-83-3 HMDB0002172 C03413 132680 Pos Early betonicine 515-25-3 HMDB0029412 C08269 164642 Pos Early ergothioneine 58511-63-0 HMDB0003045 C05570 5351619 Pos Early S-methylmethionine 3493-12-7 HMDB0038670 C05319 458 Pos Early 7-methylurate 612-37-3 HMDB0011107 C16355 69160 Pos Early N-acetyl-cadaverine 32343-73-0 HMDB0002284 10374713 Pos Early 5-(galactosylhydroxy)-L-lysine 32448-36-5 66995551 Pos Early cysteinylglycine disulfide* 70555-24-7 HMDB0000709 22833544 Pos Early formiminoglutamate 816-90-0 HMDB0000854 C00439 439233 Pos Early 4-hydroxyglutamate 2485-33-8 HMDB0001344 C03079 439902 Pos Early gamma-carboxyglutamate 56271-99-9 HMDB0041900 40772 Pos Early norcotinine 17114-40-8 HMDB0001297 413 Pos Early hydroxycotinine 34834-67-8 HMDB0001390 107963 Pos Early cotinine N-oxide 36508-80-2 HMDB0001411 9815514 Pos Early argininate* 157-07-3 HMDB0003148 160437 Pos Early 2-oxoarginine* 3715-10-4 HMDB0004225 C03771 558 Pos Early 1-methyl-5-imidazoleacetate 4200-48-0 HMDB04988 6451814 Pos Early S-methylcysteine sulfoxide 6853-87-8 HMDB0029432 82142 Pos Early 2-oxindole-3-acetate 2971-31-5 HMDB0035514 3080590 Pos Early leucylglycine 686-50-0 HMDB0028929 79070 Pos Early valylleucine 22906-55-4 HMDB0029131 352039 Pos Early carboxyethyl-GABA 4386-03-2 HMDB0002201 2572 Pos Early trimethylamine N-oxide 1184-78-7 HMDB0000925 C01104 1145 Pos Early N6-methyllysine 1188-07-4 HMDB0002038 C02728 164795 Pos Early cis-urocanate 7699-35-6 HMDB0034174 1549103 Pos Early imidazole propionate 1074-59-5 HMDB0002271 70630 Pos Early alliin 556-27-4 HMDB0033592 C08265 87310 Pos Early prolylglycine 2578-57-6 HMDB0011178 6426709 Pos Early lanthionine 3183-08-2 98504 Pos Early (R)-3-hydroxybutyrylcarnitine HMDB0013127 53481617 Pos Early N-acetylcarnosine 56353-15-2 HMDB0012881 9903482 Pos Early histidine betaine (hercynine)* 534-30-5 HMDB0029422 3083620 Pos Early dimethyl sulfone 67-71-0 HMDB0004983 C11142 6213 Pos Early 2-piperidinone 675-20-7 HMDB0011749 12665 Pos Early N-acetyl-1-methylhistidine* HMDB0240340 53859791 Pos Early indolin-2-one 59-48-3 C12312 321710 Pos Early S-allylcysteine 21593-77-1 HMDB0034323 98280 Pos Early 2-aminoheptanoate 1115-90-8 HMDB0094649 227939 Pos Early benzoylcarnitine* 105450-08-6 Pos Early methionine sulfone 820-10-0 HMDB0062174 69961 Pos Early fructosyllysine 21291-40-7 HMDB0034879 9839580 Pos Early 3-methylglutarylcarnitine (2) HMDB0000552 128145 Pos Early phenylacetylcarnitine 287108-21-8 101724840 Pos Early N-carbamoylalanine 77340-50-2 426409 Pos Early N-acetylkynurenine (2) HMDB0240342 73817779 Pos Early N-acetylglucosamine/N-acetylgalactosamine "HMDB0000212,HMDB0000215" C01074 "439174,84265" Pos Early adipoylcarnitine (C6-DC) HMDB0061677 71296139 Pos Early 4-hydroxyphenylacetoylcarnitine Pos Early suberoylcarnitine (C8-DC) Pos Early azeloylcarnitine (C9-DC) Pos Early thioproline 34592-47-4 HMDB0062164 93176 Pos Early 2-methylserine C02115 94309 Pos Early (S)-3-hydroxybutyrylcarnitine HMDB0013127 71464477 Pos Early methylsuccinoylcarnitine Pos Early pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) Pos Early 2'-O-methylcytidine 2140-72-9 150971 Pos Early gamma-glutamyl-alpha-lysine 65254 Pos Early glycerophosphoserine* 3081457 Pos Early "N,N,N-trimethyl-5-aminovalerate" 14274897 Pos Early butenoylcarnitine (C4:1) Pos Early 2-furoylcarnitine Pos Early 3-hydroxystachydrine* C10151 46173781 Pos Early hydroxyasparagine** HMDB32332 C20631 15991574 Pos Early 3-hydroxybutyroylglycine** Pos Early N-methylhydroxyproline** 9860390 Pos Early "N,N,N-trimethyl-alanylproline betaine (TMAP)" HMDB0240365 Pos Early 3-formylindole 487-89-8 HMDB29737 C08493 10256 Pos Early gamma-glutamylcitrulline* Pos Early diacetylspermidine* HMDB0002172 C03413 132680 Pos Early 3-amino-2-piperidone 1892-22-4 HMDB0000323 5200225 Pos Early "N,N-dimethylalanine" 2812-31-9 5488191 Pos Early "N6,N6-dimethyllysine" 2259-86-1 HMDB0013287 C05545 193344 Pos Early indoleacetoylcarnitine* Pos Early N-acetyl-isoputreanine 131802901 Pos Early "N2-acetyl,N6,N6-dimethyllysine" Pos Early "N2-acetyl,N6-methyllysine" Pos Early 3-hydroxypyridine glucuronide Pos Early 3-hydroxyhexanoylcarnitine (1) Pos Early 3-hydroxyhexanoylcarnitine (2) Pos Early "N,N-dimethyl-5-aminovalerate" Pos Early dimethylguanidino valeric acid (DMGV)* 101535539 Pos Early 5-hydroxymethyl-2-furoylcarnitine* Pos Early "hydroxy-N6,N6,N6-trimethyllysine*" Pos Early levulinoylcarnitine Pos Early (S)-a-amino-omega-caprolactam 21568-87-6 C02837 440599 Pos Early (2-butoxyethoxy)acetic acid 106312 Pos Early S-carboxyethylcysteine 4033-46-9 Pos Early N-acetyl-2-aminoadipate C12986 443992 Pos Early 3-hydroxyoctanoylcarnitine (1) Pos Early 3-hydroxyoctanoylcarnitine (2) Pos Early METABOLITES_END #END