#METABOLOMICS WORKBENCH nemkovt_20161205_094612 DATATRACK_ID:786 STUDY_ID:ST000509 ANALYSIS_ID:AN000780 PROJECT_ID:PR000382 VERSION 1 CREATED_ON December 5, 2016, 12:43 pm #PROJECT PR:PROJECT_TITLE Metabolic changes to maternal rat liver tissue during and post-pregnancy. PR:PROJECT_TYPE global MS analysis PR:PROJECT_SUMMARY Assessing metabolic changes to maternal rat liver tissue during and PR:PROJECT_SUMMARY post-pregnancy. Liver tissue was harvested post-mortem from rats or mice without PR:PROJECT_SUMMARY pregnancy (Nulliparous - NP), time course during pregnancy in days (P2-4, PR:PROJECT_SUMMARY P11-13m P18-20), lactation day 10 (LD10), in during involution of the liver (I2, PR:PROJECT_SUMMARY I4, I6, I8, I10) and 4-weeks regression after preganancy (R4). PR:INSTITUTE University of Colorado, Denver PR:LAST_NAME Nemkov PR:FIRST_NAME Travis PR:ADDRESS 12801 E 17th Avenue, RC-1 South, Rm 9403G, Aurora, CO, 80045, USA PR:EMAIL travis.nemkov@ucdenver.edu PR:PHONE 303-724-5798 #STUDY ST:STUDY_TITLE Metabolic changes to maternal rat liver tissue during and post-pregnancy ST:STUDY_SUMMARY Assessing metabolic changes to maternal rat liver tissue during and ST:STUDY_SUMMARY post-pregnancy. Liver tissue was harvested post-mortem from rats or mice without ST:STUDY_SUMMARY pregnancy (Nulliparous - NP), time course during pregnancy in days (P2-4, ST:STUDY_SUMMARY P11-13m P18-20), lactation day 10 (LD10), in during involution of the liver (I2, ST:STUDY_SUMMARY I4, I6, I8, I10) and 4-weeks regression after preganancy (R4). ST:INSTITUTE University of Colorado Denver ST:LAST_NAME Nemkov ST:FIRST_NAME Travis ST:ADDRESS 12801 E 17th Avenue RC-1 South, Mail stop 8101 ST:EMAIL travis.nemkov@ucdenver.edu ST:PHONE 303-724-5798 #SUBJECT SU:SUBJECT_TYPE Animal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - NP_2 time_point:NP SUBJECT_SAMPLE_FACTORS - NP_3 time_point:NP SUBJECT_SAMPLE_FACTORS - NP_57 time_point:NP SUBJECT_SAMPLE_FACTORS - NP_58 time_point:NP SUBJECT_SAMPLE_FACTORS - NP_91 time_point:NP SUBJECT_SAMPLE_FACTORS - NP_102 time_point:NP SUBJECT_SAMPLE_FACTORS - P2-4_10 time_point:P2-4 SUBJECT_SAMPLE_FACTORS - P2-4_11 time_point:P2-4 SUBJECT_SAMPLE_FACTORS - P2-4_12 time_point:P2-4 SUBJECT_SAMPLE_FACTORS - P2-4_13 time_point:P2-4 SUBJECT_SAMPLE_FACTORS - P2-4_14 time_point:P2-4 SUBJECT_SAMPLE_FACTORS - P11-13_16 time_point:P11-13 SUBJECT_SAMPLE_FACTORS - P11-13_17 time_point:P11-13 SUBJECT_SAMPLE_FACTORS - P11-13_18 time_point:P11-13 SUBJECT_SAMPLE_FACTORS - P11-13_25 time_point:P11-13 SUBJECT_SAMPLE_FACTORS - P18-20_7 time_point:P18-20 SUBJECT_SAMPLE_FACTORS - P18-20_15 time_point:P18-20 SUBJECT_SAMPLE_FACTORS - P18-20_23 time_point:P18-20 SUBJECT_SAMPLE_FACTORS - P18-20_61 time_point:P18-20 SUBJECT_SAMPLE_FACTORS - P18-20_69 time_point:P18-20 SUBJECT_SAMPLE_FACTORS - P18-20_76 time_point:P18-20 SUBJECT_SAMPLE_FACTORS - LD10_9 time_point:LD10 SUBJECT_SAMPLE_FACTORS - LD10_22 time_point:LD10 SUBJECT_SAMPLE_FACTORS - LD10_31 time_point:LD10 SUBJECT_SAMPLE_FACTORS - LD10_99 time_point:LD10 SUBJECT_SAMPLE_FACTORS - LD10_103 time_point:LD10 SUBJECT_SAMPLE_FACTORS - I2_79 time_point:I2 SUBJECT_SAMPLE_FACTORS - I2_90 time_point:I2 SUBJECT_SAMPLE_FACTORS - I2_92 time_point:I2 SUBJECT_SAMPLE_FACTORS - I2_93 time_point:I2 SUBJECT_SAMPLE_FACTORS - I2_104 time_point:I2 SUBJECT_SAMPLE_FACTORS - I4_71 time_point:I4 SUBJECT_SAMPLE_FACTORS - I4_72 time_point:I4 SUBJECT_SAMPLE_FACTORS - I4_96 time_point:I4 SUBJECT_SAMPLE_FACTORS - I4_101 time_point:I4 SUBJECT_SAMPLE_FACTORS - I6_66 time_point:I6 SUBJECT_SAMPLE_FACTORS - I6_77 time_point:I6 SUBJECT_SAMPLE_FACTORS - I6_81 time_point:I6 SUBJECT_SAMPLE_FACTORS - I6_94 time_point:I6 SUBJECT_SAMPLE_FACTORS - I6_95 time_point:I6 SUBJECT_SAMPLE_FACTORS - I8_63 time_point:I8 SUBJECT_SAMPLE_FACTORS - I8_67 time_point:I8 SUBJECT_SAMPLE_FACTORS - I8_74 time_point:I8 SUBJECT_SAMPLE_FACTORS - I8_75 time_point:I8 SUBJECT_SAMPLE_FACTORS - I8_97 time_point:I8 SUBJECT_SAMPLE_FACTORS - I8_98 time_point:I8 SUBJECT_SAMPLE_FACTORS - I10_60 time_point:I10 SUBJECT_SAMPLE_FACTORS - I10_64 time_point:I10 SUBJECT_SAMPLE_FACTORS - I10_70 time_point:I10 SUBJECT_SAMPLE_FACTORS - I10_73 time_point:I10 SUBJECT_SAMPLE_FACTORS - R4_24 time_point:R4 SUBJECT_SAMPLE_FACTORS - R4_26 time_point:R4 SUBJECT_SAMPLE_FACTORS - R4_30 time_point:R4 SUBJECT_SAMPLE_FACTORS - R4_32 time_point:R4 SUBJECT_SAMPLE_FACTORS - R4_62 time_point:R4 SUBJECT_SAMPLE_FACTORS - R4_83 time_point:R4 #COLLECTION CO:COLLECTION_SUMMARY tissue was harvested, flash frozen in LiN2, milled with LiN2, and weighed on dry CO:COLLECTION_SUMMARY ice for metabolomics analysis #TREATMENT TR:TREATMENT_SUMMARY Tissues were harvested at the appropriate time point during or post-pregnancy #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Frozen and milled liver tissue was suspended to 10 mg/ml in an extraction SP:SAMPLEPREP_SUMMARY solution containing methanol/acetonitrile/water at a ratio of 5:3:2 (v/v/v). SP:SAMPLEPREP_SUMMARY Suspensions were vortexed at 4C for 30 minutes and centrifuged at 10,000 g for SP:SAMPLEPREP_SUMMARY 10 minutes, 4C. Supernatants were isolated and analyzed by LC-MS. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Kinetex XB-C18 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS arbitrary units MS_METABOLITE_DATA_START Samples NP_2 NP_3 NP_57 NP_58 NP_91 NP_102 P2-4_10 P2-4_11 P2-4_12 P2-4_13 P2-4_14 P11-13_16 P11-13_17 P11-13_18 P11-13_25 P18-20_7 P18-20_15 P18-20_23 P18-20_61 P18-20_69 P18-20_76 LD10_9 LD10_22 LD10_31 LD10_99 LD10_103 I2_79 I2_90 I2_92 I2_93 I2_104 I4_71 I4_72 I4_96 I4_101 I6_66 I6_77 I6_81 I6_94 I6_95 I8_63 I8_67 I8_74 I8_75 I8_97 I8_98 I10_60 I10_64 I10_70 I10_73 R4_24 R4_26 R4_30 R4_32 R4_62 R4_83 Factors time_point:NP time_point:NP time_point:NP time_point:NP time_point:NP time_point:NP time_point:P2-4 time_point:P2-4 time_point:P2-4 time_point:P2-4 time_point:P2-4 time_point:P11-13 time_point:P11-13 time_point:P11-13 time_point:P11-13 time_point:P18-20 time_point:P18-20 time_point:P18-20 time_point:P18-20 time_point:P18-20 time_point:P18-20 time_point:LD10 time_point:LD10 time_point:LD10 time_point:LD10 time_point:LD10 time_point:I2 time_point:I2 time_point:I2 time_point:I2 time_point:I2 time_point:I4 time_point:I4 time_point:I4 time_point:I4 time_point:I6 time_point:I6 time_point:I6 time_point:I6 time_point:I6 time_point:I8 time_point:I8 time_point:I8 time_point:I8 time_point:I8 time_point:I8 time_point:I10 time_point:I10 time_point:I10 time_point:I10 time_point:R4 time_point:R4 time_point:R4 time_point:R4 time_point:R4 time_point:R4 alanine 324000000.00 227000000.00 258000000.00 231000000.00 330000000.00 216000000.00 277000000.00 282000000.00 283000000.00 267000000.00 358000000.00 270000000.00 249000000.00 260000000.00 303000000.00 376000000.00 356000000.00 333000000.00 359000000.00 318000000.00 316000000.00 321000000.00 379000000.00 383000000.00 363000000.00 406000000.00 392000000.00 307000000.00 327000000.00 289000000.00 321000000.00 315000000.00 227000000.00 280000000.00 273000000.00 236000000.00 212000000.00 298000000.00 270000000.00 312000000.00 233000000.00 291000000.00 302000000.00 250000000.00 283000000.00 250000000.00 238000000.00 283000000.00 321000000.00 231000000.00 308000000.00 264000000.00 303000000.00 270000000.00 339000000.00 270000000.00 arginine 563000.00 593000.00 891000.00 396000.00 574000.00 430000.00 494000.00 725000.00 362000.00 648000.00 509000.00 813000.00 864000.00 837000.00 777000.00 742000.00 565000.00 738000.00 879000.00 619000.00 653000.00 784000.00 524000.00 497000.00 442000.00 520000.00 1350000.00 807000.00 824000.00 824000.00 916000.00 578000.00 1110000.00 836000.00 813000.00 774000.00 690000.00 728000.00 700000.00 683000.00 697000.00 560000.00 541000.00 506000.00 511000.00 507000.00 356000.00 469000.00 481000.00 494000.00 501000.00 542000.00 432000.00 349000.00 589000.00 485000.00 asparagine 3230000.00 4700000.00 3900000.00 3260000.00 3250000.00 3360000.00 4700000.00 4250000.00 3870000.00 3020000.00 3130000.00 4480000.00 4070000.00 4440000.00 4140000.00 5220000.00 5120000.00 5870000.00 4670000.00 2940000.00 4120000.00 3750000.00 4100000.00 4950000.00 4240000.00 4700000.00 3640000.00 7130000.00 5060000.00 4920000.00 5030000.00 3800000.00 4500000.00 3810000.00 4020000.00 3440000.00 2580000.00 3890000.00 3700000.00 3900000.00 3960000.00 4340000.00 3690000.00 3860000.00 4080000.00 3930000.00 3300000.00 3610000.00 3170000.00 3700000.00 4570000.00 3760000.00 4280000.00 3510000.00 3460000.00 3400000.00 aspartate 30000000.00 28100000.00 32900000.00 32700000.00 26000000.00 35800000.00 50900000.00 50300000.00 63100000.00 37600000.00 40700000.00 42500000.00 51900000.00 50000000.00 39000000.00 57300000.00 46700000.00 45600000.00 35100000.00 31900000.00 27100000.00 25200000.00 47700000.00 31800000.00 38800000.00 43300000.00 42700000.00 36800000.00 27400000.00 30800000.00 28400000.00 37900000.00 34500000.00 31000000.00 25400000.00 37100000.00 33400000.00 34100000.00 36200000.00 33500000.00 35800000.00 57500000.00 33000000.00 43100000.00 34500000.00 23400000.00 46000000.00 38900000.00 34100000.00 35600000.00 30200000.00 32800000.00 33600000.00 35900000.00 30100000.00 38600000.00 cysteine 9180000.00 8310000.00 4910000.00 7380000.00 5190000.00 6360000.00 8250000.00 7310000.00 8370000.00 5680000.00 5030000.00 7580000.00 7320000.00 8330000.00 8060000.00 6880000.00 9020000.00 8060000.00 7820000.00 6250000.00 8750000.00 6710000.00 4410000.00 6060000.00 6690000.00 6160000.00 7120000.00 6690000.00 7020000.00 8620000.00 7900000.00 6440000.00 8250000.00 7190000.00 7820000.00 6690000.00 6850000.00 6900000.00 5060000.00 7150000.00 5850000.00 7040000.00 5950000.00 5510000.00 5220000.00 5150000.00 4420000.00 4060000.00 5410000.00 6840000.00 4560000.00 6900000.00 5820000.00 4120000.00 6920000.00 4620000.00 glutamate 176000000.00 134000000.00 108000000.00 191000000.00 217000000.00 183000000.00 158000000.00 165000000.00 135000000.00 140000000.00 173000000.00 151000000.00 238000000.00 205000000.00 161000000.00 317000000.00 272000000.00 225000000.00 234000000.00 141000000.00 190000000.00 178000000.00 136000000.00 160000000.00 112000000.00 101000000.00 144000000.00 134000000.00 129000000.00 155000000.00 116000000.00 163000000.00 131000000.00 138000000.00 148000000.00 133000000.00 127000000.00 144000000.00 128000000.00 200000000.00 192000000.00 176000000.00 151000000.00 233000000.00 191000000.00 151000000.00 189000000.00 204000000.00 170000000.00 189000000.00 152000000.00 213000000.00 158000000.00 123000000.00 184000000.00 168000000.00 glutamine 490000000.00 319000000.00 348000000.00 426000000.00 399000000.00 403000000.00 395000000.00 400000000.00 401000000.00 393000000.00 483000000.00 394000000.00 462000000.00 411000000.00 362000000.00 503000000.00 578000000.00 542000000.00 543000000.00 459000000.00 426000000.00 492000000.00 463000000.00 516000000.00 333000000.00 387000000.00 407000000.00 469000000.00 455000000.00 387000000.00 282000000.00 391000000.00 313000000.00 395000000.00 378000000.00 493000000.00 457000000.00 434000000.00 364000000.00 400000000.00 465000000.00 463000000.00 363000000.00 493000000.00 415000000.00 313000000.00 553000000.00 452000000.00 667000000.00 542000000.00 411000000.00 472000000.00 467000000.00 481000000.00 488000000.00 339000000.00 glycine 35400000.00 38100000.00 42500000.00 42800000.00 36100000.00 44700000.00 43900000.00 40200000.00 43100000.00 32200000.00 43100000.00 36700000.00 40000000.00 38100000.00 41400000.00 38100000.00 39700000.00 43600000.00 50000000.00 46500000.00 43300000.00 32100000.00 37000000.00 33900000.00 39800000.00 41300000.00 34400000.00 48600000.00 45200000.00 44300000.00 33800000.00 38400000.00 38000000.00 36600000.00 33700000.00 37400000.00 35700000.00 35800000.00 35400000.00 32200000.00 44200000.00 46300000.00 36600000.00 43600000.00 39500000.00 33500000.00 48000000.00 40800000.00 43100000.00 38700000.00 40300000.00 36200000.00 40200000.00 33700000.00 41200000.00 36600000.00 histidine 32600000.00 27200000.00 35600000.00 28200000.00 26500000.00 29900000.00 30300000.00 29800000.00 35300000.00 29200000.00 30400000.00 27500000.00 28600000.00 28600000.00 29200000.00 24200000.00 24300000.00 24200000.00 25500000.00 32700000.00 26000000.00 40100000.00 52000000.00 40400000.00 40600000.00 45800000.00 35500000.00 51600000.00 42100000.00 39700000.00 31200000.00 36200000.00 36700000.00 31800000.00 31000000.00 33200000.00 36500000.00 34700000.00 34400000.00 29700000.00 31500000.00 36000000.00 28000000.00 32300000.00 31200000.00 35700000.00 34300000.00 33900000.00 27100000.00 32100000.00 37000000.00 35800000.00 34800000.00 22800000.00 33300000.00 34800000.00 leucine 225000000.00 192000000.00 189000000.00 186000000.00 167000000.00 210000000.00 194000000.00 241000000.00 197000000.00 190000000.00 236000000.00 263000000.00 206000000.00 234000000.00 219000000.00 190000000.00 200000000.00 254000000.00 186000000.00 188000000.00 201000000.00 171000000.00 222000000.00 200000000.00 164000000.00 184000000.00 156000000.00 202000000.00 198000000.00 219000000.00 198000000.00 166000000.00 210000000.00 180000000.00 200000000.00 191000000.00 168000000.00 171000000.00 133000000.00 221000000.00 187000000.00 178000000.00 180000000.00 181000000.00 211000000.00 189000000.00 170000000.00 182000000.00 194000000.00 184000000.00 187000000.00 185000000.00 169000000.00 162000000.00 179000000.00 187000000.00 isoleucine 74500000.00 66400000.00 64500000.00 54700000.00 55100000.00 58000000.00 71700000.00 79100000.00 65400000.00 62900000.00 68200000.00 80000000.00 74500000.00 88300000.00 66500000.00 67300000.00 78600000.00 98400000.00 66300000.00 71300000.00 67800000.00 85000000.00 107000000.00 89900000.00 63400000.00 85500000.00 83800000.00 98700000.00 90200000.00 91600000.00 72900000.00 85800000.00 89300000.00 91800000.00 82200000.00 71900000.00 91100000.00 73900000.00 74000000.00 111000000.00 80800000.00 75900000.00 81500000.00 82100000.00 109000000.00 89100000.00 76100000.00 81100000.00 95000000.00 93500000.00 101000000.00 103000000.00 92000000.00 89000000.00 99800000.00 82500000.00 lysine 13300000.00 14200000.00 14200000.00 13800000.00 12200000.00 13300000.00 14500000.00 14200000.00 17700000.00 15500000.00 13200000.00 22400000.00 15900000.00 19200000.00 16900000.00 16700000.00 14000000.00 23100000.00 16800000.00 14500000.00 18900000.00 17700000.00 24500000.00 23300000.00 15500000.00 19300000.00 38100000.00 34500000.00 27100000.00 23100000.00 20400000.00 17100000.00 28100000.00 17100000.00 15900000.00 24200000.00 20600000.00 17200000.00 14600000.00 14800000.00 14300000.00 20100000.00 12500000.00 14000000.00 13100000.00 13000000.00 13800000.00 14000000.00 17300000.00 16900000.00 17200000.00 14500000.00 14500000.00 12200000.00 15800000.00 14200000.00 methionine 16000000.00 20400000.00 15000000.00 18800000.00 19400000.00 20800000.00 26400000.00 20400000.00 24800000.00 19000000.00 24200000.00 23500000.00 25200000.00 19200000.00 22200000.00 28800000.00 24000000.00 23100000.00 24800000.00 19900000.00 27200000.00 22200000.00 27600000.00 24300000.00 19700000.00 21600000.00 16300000.00 21000000.00 17900000.00 17600000.00 20000000.00 10100000.00 14000000.00 13200000.00 15700000.00 12300000.00 9410000.00 17800000.00 11500000.00 22100000.00 22200000.00 24600000.00 17600000.00 19100000.00 18200000.00 15700000.00 24100000.00 19900000.00 27900000.00 23300000.00 20700000.00 18400000.00 17200000.00 16100000.00 23700000.00 15000000.00 phenylalanine 28500000.00 25600000.00 23800000.00 24700000.00 22500000.00 27600000.00 24900000.00 31100000.00 21300000.00 24800000.00 28900000.00 33000000.00 31700000.00 30000000.00 29000000.00 27000000.00 24700000.00 33000000.00 24300000.00 23800000.00 27900000.00 20700000.00 24500000.00 23600000.00 20100000.00 20500000.00 21200000.00 21900000.00 23300000.00 25600000.00 23100000.00 21800000.00 26400000.00 22500000.00 24300000.00 24600000.00 23600000.00 19300000.00 16000000.00 25300000.00 23900000.00 20200000.00 22100000.00 22600000.00 24600000.00 21500000.00 21000000.00 22100000.00 21900000.00 24000000.00 24000000.00 22700000.00 21900000.00 21900000.00 22000000.00 21800000.00 proline 173000000.00 168000000.00 152000000.00 122000000.00 154000000.00 132000000.00 203000000.00 154000000.00 236000000.00 142000000.00 178000000.00 155000000.00 153000000.00 139000000.00 151000000.00 217000000.00 197000000.00 166000000.00 168000000.00 174000000.00 182000000.00 222000000.00 267000000.00 274000000.00 183000000.00 212000000.00 216000000.00 186000000.00 198000000.00 199000000.00 166000000.00 125000000.00 160000000.00 145000000.00 147000000.00 113000000.00 103000000.00 159000000.00 121000000.00 166000000.00 116000000.00 151000000.00 146000000.00 114000000.00 146000000.00 131000000.00 138000000.00 138000000.00 177000000.00 142000000.00 151000000.00 141000000.00 157000000.00 170000000.00 168000000.00 133000000.00 serine 19100000.00 25300000.00 24800000.00 37000000.00 25800000.00 29300000.00 37800000.00 37300000.00 33300000.00 13300000.00 27600000.00 37400000.00 39200000.00 37500000.00 38100000.00 25800000.00 24300000.00 28500000.00 26100000.00 40800000.00 29300000.00 15600000.00 16800000.00 17800000.00 29000000.00 20100000.00 53000000.00 60900000.00 43900000.00 46800000.00 24700000.00 29000000.00 50200000.00 21500000.00 16400000.00 21500000.00 17100000.00 20900000.00 25200000.00 14800000.00 30700000.00 52000000.00 21900000.00 30200000.00 25800000.00 19000000.00 33200000.00 39400000.00 22800000.00 26700000.00 25100000.00 18000000.00 20700000.00 18500000.00 27800000.00 24400000.00 threonine 41400000.00 38600000.00 49700000.00 53600000.00 49500000.00 54700000.00 68300000.00 46500000.00 45500000.00 23600000.00 35900000.00 61900000.00 51300000.00 56000000.00 41300000.00 37700000.00 48600000.00 50500000.00 45900000.00 78000000.00 74700000.00 19000000.00 22500000.00 18500000.00 10900000.00 12400000.00 69000000.00 101000000.00 81300000.00 97800000.00 82600000.00 34600000.00 95400000.00 38700000.00 31100000.00 32700000.00 28400000.00 45100000.00 52200000.00 28000000.00 41200000.00 62700000.00 37300000.00 46000000.00 50900000.00 40500000.00 42300000.00 58800000.00 33200000.00 47500000.00 53600000.00 41500000.00 41300000.00 34900000.00 52400000.00 48300000.00 tryptophan 20700000.00 24200000.00 23900000.00 22800000.00 22500000.00 20400000.00 22800000.00 24800000.00 25200000.00 22300000.00 25900000.00 25700000.00 29900000.00 24700000.00 27900000.00 17600000.00 18500000.00 22100000.00 24500000.00 24900000.00 27800000.00 20900000.00 21200000.00 22500000.00 19600000.00 21600000.00 24800000.00 17800000.00 23800000.00 28000000.00 24100000.00 23100000.00 19900000.00 24700000.00 24300000.00 27500000.00 21000000.00 20600000.00 21400000.00 19500000.00 29100000.00 25400000.00 22900000.00 22700000.00 25900000.00 29600000.00 23500000.00 26700000.00 24200000.00 28200000.00 23200000.00 24300000.00 21600000.00 23400000.00 26200000.00 26100000.00 tyrosine 43000000.00 40200000.00 29400000.00 34200000.00 30700000.00 36800000.00 41300000.00 47100000.00 51700000.00 33900000.00 43000000.00 46300000.00 47000000.00 38400000.00 43000000.00 36500000.00 31800000.00 38300000.00 28900000.00 33100000.00 33500000.00 39200000.00 41400000.00 42700000.00 43400000.00 36900000.00 31200000.00 39900000.00 37600000.00 41200000.00 42800000.00 33800000.00 43700000.00 33000000.00 38400000.00 38900000.00 29300000.00 35700000.00 28500000.00 45200000.00 40000000.00 47700000.00 35200000.00 44500000.00 45500000.00 36600000.00 31900000.00 46700000.00 38600000.00 46200000.00 43800000.00 34500000.00 37600000.00 32400000.00 40400000.00 38600000.00 valine 1930000000.00 1540000000.00 0.00 2160000000.00 1670000000.00 0.00 0.00 1950000000.00 2160000000.00 943000000.00 0.00 1780000000.00 2450000000.00 2210000000.00 1470000000.00 1730000000.00 1390000000.00 707000000.00 1140000000.00 2070000000.00 1150000000.00 2030000000.00 1390000000.00 1420000000.00 1620000000.00 1730000000.00 1670000000.00 2350000000.00 2030000000.00 1630000000.00 1330000000.00 1120000000.00 944000000.00 771000000.00 769000000.00 890000000.00 835000000.00 1070000000.00 1240000000.00 799000000.00 2380000000.00 0.00 1430000000.00 2150000000.00 1340000000.00 1760000000.00 2180000000.00 2100000000.00 1330000000.00 1160000000.00 1500000000.00 1700000000.00 1400000000.00 1680000000.00 1640000000.00 1580000000.00 cystine 165000.00 221000.00 93300.00 154000.00 95500.00 219000.00 139000.00 112000.00 117000.00 109000.00 62300.00 221000.00 75100.00 124000.00 212000.00 149000.00 198000.00 88600.00 113000.00 99200.00 97400.00 167000.00 574000.00 181000.00 65100.00 48400.00 68600.00 78700.00 85700.00 49600.00 120000.00 363000.00 106000.00 59100.00 146000.00 59200.00 57500.00 129000.00 117000.00 200000.00 93900.00 134000.00 179000.00 128000.00 102000.00 374000.00 139000.00 92300.00 79900.00 132000.00 319000.00 109000.00 99000.00 150000.00 66500.00 219000.00 kynurenine 396000.00 324000.00 99800.00 242000.00 303000.00 345000.00 512000.00 254000.00 454000.00 217000.00 342000.00 763000.00 161000.00 305000.00 354000.00 263000.00 218000.00 232000.00 267000.00 94200.00 425000.00 63100.00 264000.00 167000.00 209000.00 111000.00 167000.00 146000.00 118000.00 76100.00 283000.00 120000.00 103000.00 116000.00 93900.00 253000.00 21700.00 212000.00 219000.00 465000.00 236000.00 437000.00 235000.00 178000.00 222000.00 70200.00 133000.00 157000.00 445000.00 159000.00 311000.00 281000.00 335000.00 259000.00 206000.00 286000.00 AMP 120000000.00 117000000.00 105000000.00 121000000.00 122000000.00 111000000.00 101000000.00 123000000.00 135000000.00 126000000.00 127000000.00 114000000.00 125000000.00 125000000.00 138000000.00 106000000.00 133000000.00 161000000.00 121000000.00 131000000.00 138000000.00 122000000.00 138000000.00 137000000.00 155000000.00 153000000.00 157000000.00 170000000.00 158000000.00 158000000.00 122000000.00 155000000.00 132000000.00 130000000.00 166000000.00 164000000.00 148000000.00 152000000.00 111000000.00 103000000.00 119000000.00 152000000.00 111000000.00 148000000.00 137000000.00 134000000.00 157000000.00 159000000.00 159000000.00 138000000.00 107000000.00 140000000.00 100000000.00 120000000.00 138000000.00 103000000.00 Hypoxanthine 113000000.00 82100000.00 39200000.00 32000000.00 73000000.00 83500000.00 128000000.00 58000000.00 60500000.00 52500000.00 76400000.00 86900000.00 73400000.00 59000000.00 72100000.00 123000000.00 67900000.00 43800000.00 84400000.00 21600000.00 74800000.00 57100000.00 93500000.00 49600000.00 53600000.00 22200000.00 21300000.00 53700000.00 23700000.00 43600000.00 89000000.00 32600000.00 25900000.00 26900000.00 52200000.00 85900000.00 30400000.00 59700000.00 81700000.00 145000000.00 113000000.00 78700000.00 74000000.00 57300000.00 71200000.00 38300000.00 91100000.00 46400000.00 101000000.00 72800000.00 125000000.00 116000000.00 188000000.00 94400000.00 57100000.00 117000000.00 Xanthine 9010000.00 7310000.00 5050000.00 4820000.00 6910000.00 5620000.00 6670000.00 5490000.00 3510000.00 4620000.00 6480000.00 5790000.00 6000000.00 6640000.00 7560000.00 8420000.00 9650000.00 5020000.00 6950000.00 4220000.00 9220000.00 8520000.00 7520000.00 7220000.00 6050000.00 3870000.00 3400000.00 6970000.00 4250000.00 7070000.00 10300000.00 5070000.00 4990000.00 7170000.00 11000000.00 6370000.00 6320000.00 4830000.00 6690000.00 10100000.00 9480000.00 4430000.00 9180000.00 8420000.00 10800000.00 8010000.00 8120000.00 6870000.00 5770000.00 7480000.00 11000000.00 9420000.00 9860000.00 5560000.00 6770000.00 8970000.00 Guanine 701000.00 669000.00 302000.00 491000.00 547000.00 728000.00 1250000.00 399000.00 682000.00 758000.00 446000.00 863000.00 774000.00 404000.00 577000.00 797000.00 523000.00 654000.00 957000.00 299000.00 683000.00 633000.00 585000.00 615000.00 514000.00 298000.00 398000.00 432000.00 399000.00 422000.00 714000.00 300000.00 325000.00 277000.00 207000.00 820000.00 403000.00 718000.00 962000.00 1360000.00 891000.00 1010000.00 613000.00 743000.00 663000.00 398000.00 1290000.00 427000.00 825000.00 812000.00 745000.00 839000.00 1150000.00 642000.00 538000.00 1250000.00 Allantoate 387000.00 363000.00 394000.00 324000.00 366000.00 364000.00 405000.00 427000.00 481000.00 497000.00 504000.00 428000.00 351000.00 424000.00 404000.00 538000.00 584000.00 690000.00 445000.00 356000.00 442000.00 495000.00 792000.00 663000.00 442000.00 485000.00 688000.00 764000.00 637000.00 516000.00 685000.00 625000.00 832000.00 654000.00 785000.00 522000.00 647000.00 496000.00 480000.00 414000.00 454000.00 508000.00 358000.00 549000.00 555000.00 553000.00 444000.00 539000.00 549000.00 538000.00 465000.00 491000.00 429000.00 336000.00 387000.00 545000.00 (S)(+)-Allantoin 604000.00 512000.00 298000.00 348000.00 431000.00 399000.00 827000.00 627000.00 1590000.00 606000.00 493000.00 604000.00 519000.00 479000.00 502000.00 408000.00 582000.00 560000.00 407000.00 313000.00 267000.00 501000.00 873000.00 596000.00 744000.00 546000.00 440000.00 381000.00 488000.00 526000.00 926000.00 480000.00 637000.00 738000.00 763000.00 597000.00 708000.00 456000.00 626000.00 718000.00 516000.00 1140000.00 600000.00 611000.00 732000.00 671000.00 487000.00 541000.00 584000.00 740000.00 687000.00 664000.00 571000.00 427000.00 543000.00 715000.00 5-Hydroxyisourate 8260000.00 5210000.00 4740000.00 7250000.00 7090000.00 7150000.00 5730000.00 5930000.00 6070000.00 5760000.00 6820000.00 5370000.00 5860000.00 4960000.00 4800000.00 9300000.00 8520000.00 6750000.00 8070000.00 6780000.00 6240000.00 7260000.00 6220000.00 6000000.00 5230000.00 6610000.00 4610000.00 4760000.00 5910000.00 5390000.00 4010000.00 4390000.00 3700000.00 4600000.00 5550000.00 4870000.00 4350000.00 5010000.00 4720000.00 6610000.00 5320000.00 6410000.00 5250000.00 6340000.00 5480000.00 3600000.00 7070000.00 5790000.00 8270000.00 6590000.00 5400000.00 6280000.00 5590000.00 4510000.00 6990000.00 4640000.00 Adenylyl sulfate 20100.00 0.00 8770.00 18400.00 10700.00 14600.00 4600.00 13800.00 10400.00 16800.00 18900.00 2620.00 0.00 5480.00 17400.00 19200.00 27000.00 3510.00 14500.00 7940.00 29700.00 9580.00 19900.00 5880.00 16400.00 12200.00 4230.00 20700.00 14900.00 3470.00 9950.00 9960.00 18700.00 16700.00 14000.00 4350.00 3320.00 0.00 3630.00 3900.00 23400.00 8260.00 0.00 9950.00 11500.00 0.00 11000.00 0.00 0.00 6490.00 0.00 16000.00 15200.00 0.00 4440.00 0.00 5--Phosphoribosyl-N-formylglycinamide 3150.00 0.00 0.00 25000.00 0.00 21800.00 102000.00 51800.00 0.00 20100.00 84300.00 70200.00 135000.00 172000.00 123000.00 31700.00 24500.00 17800.00 58100.00 385000.00 189000.00 17900.00 23800.00 13200.00 396000.00 352000.00 499000.00 166000.00 264000.00 482000.00 656000.00 564000.00 411000.00 336000.00 269000.00 41800.00 24500.00 133000.00 330000.00 28400.00 7140.00 27700.00 116000.00 22900.00 324000.00 171000.00 0.00 80600.00 0.00 53500.00 50700.00 45800.00 14100.00 0.00 26400.00 87200.00 Cytidine 6220000.00 7350000.00 6050000.00 5830000.00 5780000.00 6030000.00 6940000.00 8710000.00 6520000.00 6020000.00 7140000.00 11100000.00 9190000.00 8950000.00 10100000.00 14700000.00 15700000.00 12500000.00 11100000.00 6980000.00 9450000.00 9170000.00 13600000.00 10200000.00 8220000.00 7100000.00 10800000.00 14700000.00 8480000.00 12600000.00 10700000.00 9350000.00 14200000.00 9200000.00 8190000.00 7020000.00 7380000.00 6840000.00 5410000.00 8090000.00 8140000.00 6060000.00 7340000.00 7440000.00 9220000.00 8600000.00 7140000.00 6790000.00 5500000.00 8310000.00 7420000.00 7350000.00 6540000.00 4830000.00 6550000.00 6920000.00 2--3--Cyclic CMP 82600.00 34500.00 52400.00 69700.00 64300.00 104000.00 90800.00 99400.00 65000.00 89800.00 93700.00 233000.00 74000.00 62800.00 83300.00 182000.00 139000.00 124000.00 129000.00 47800.00 151000.00 81900.00 120000.00 100000.00 47000.00 79700.00 66300.00 208000.00 127000.00 79400.00 178000.00 60800.00 97600.00 157000.00 152000.00 50000.00 36900.00 71800.00 91800.00 75000.00 53800.00 28400.00 52900.00 74500.00 99300.00 47500.00 71300.00 43700.00 71000.00 75700.00 105000.00 60800.00 76000.00 34700.00 45400.00 112000.00 Pyridoxal 152000.00 125000.00 31100.00 85300.00 152000.00 52600.00 180000.00 202000.00 60200.00 95800.00 130000.00 163000.00 156000.00 107000.00 223000.00 301000.00 283000.00 240000.00 255000.00 52400.00 230000.00 279000.00 257000.00 396000.00 196000.00 194000.00 97700.00 147000.00 202000.00 253000.00 374000.00 47500.00 178000.00 250000.00 220000.00 218000.00 92500.00 120000.00 146000.00 155000.00 196000.00 64400.00 87300.00 164000.00 95000.00 66600.00 267000.00 40400.00 42600.00 221000.00 191000.00 141000.00 47000.00 65800.00 111000.00 162000.00 Pyridoxamine phosphate 1850000.00 2250000.00 1710000.00 2300000.00 1870000.00 1790000.00 1870000.00 1650000.00 2140000.00 2070000.00 2330000.00 1860000.00 1900000.00 1770000.00 2350000.00 2600000.00 2860000.00 2280000.00 2680000.00 2720000.00 2560000.00 2630000.00 2840000.00 3070000.00 2230000.00 2380000.00 2660000.00 2560000.00 2160000.00 2070000.00 2290000.00 2450000.00 2620000.00 2740000.00 2450000.00 2750000.00 3070000.00 2350000.00 2310000.00 2520000.00 3300000.00 2680000.00 2460000.00 3220000.00 2500000.00 2440000.00 3230000.00 2850000.00 3140000.00 2800000.00 2420000.00 2400000.00 2440000.00 1780000.00 2370000.00 2090000.00 Nicotinamide 163000000.00 143000000.00 98600000.00 96200000.00 111000000.00 159000000.00 221000000.00 142000000.00 158000000.00 147000000.00 158000000.00 230000000.00 135000000.00 120000000.00 115000000.00 195000000.00 101000000.00 86000000.00 162000000.00 44800000.00 150000000.00 77600000.00 196000000.00 88300000.00 93400000.00 40300000.00 62600000.00 89100000.00 50400000.00 73700000.00 130000000.00 67800000.00 60400000.00 53600000.00 95100000.00 137000000.00 50300000.00 114000000.00 104000000.00 185000000.00 129000000.00 147000000.00 111000000.00 86400000.00 127000000.00 78300000.00 164000000.00 94600000.00 174000000.00 149000000.00 145000000.00 153000000.00 203000000.00 114000000.00 137000000.00 168000000.00 Adenine 11000000.00 10100000.00 5530000.00 7200000.00 8010000.00 9910000.00 12900000.00 5840000.00 9870000.00 11300000.00 8890000.00 16500000.00 9620000.00 6590000.00 10700000.00 13900000.00 10100000.00 10200000.00 10300000.00 5260000.00 9460000.00 13400000.00 17700000.00 12100000.00 8400000.00 6900000.00 6000000.00 12200000.00 6260000.00 9190000.00 9160000.00 6840000.00 4880000.00 7040000.00 7320000.00 11200000.00 6980000.00 15100000.00 10300000.00 11900000.00 12600000.00 11800000.00 9990000.00 9810000.00 11400000.00 7490000.00 15700000.00 7330000.00 10100000.00 10300000.00 8920000.00 9680000.00 12200000.00 9330000.00 9330000.00 9700000.00 Adenosine 83500000.00 84400000.00 37100000.00 56800000.00 64700000.00 87200000.00 126000000.00 41200000.00 88900000.00 107000000.00 73800000.00 167000000.00 79800000.00 40500000.00 73600000.00 123000000.00 73300000.00 77300000.00 87100000.00 28600000.00 71700000.00 94800000.00 159000000.00 86400000.00 49000000.00 28500000.00 27600000.00 45600000.00 31500000.00 48300000.00 63000000.00 32100000.00 21400000.00 29700000.00 38400000.00 90200000.00 32600000.00 111000000.00 80700000.00 102000000.00 66200000.00 98600000.00 75700000.00 66700000.00 82300000.00 48200000.00 137000000.00 47200000.00 85300000.00 75800000.00 65500000.00 69500000.00 91900000.00 65500000.00 76700000.00 75900000.00 Guanosine 964000.00 823000.00 444000.00 696000.00 1070000.00 1040000.00 1730000.00 634000.00 789000.00 1040000.00 925000.00 1060000.00 981000.00 662000.00 1030000.00 1440000.00 889000.00 670000.00 1350000.00 282000.00 909000.00 706000.00 901000.00 620000.00 475000.00 351000.00 310000.00 785000.00 403000.00 527000.00 925000.00 323000.00 367000.00 342000.00 572000.00 980000.00 442000.00 940000.00 1160000.00 2050000.00 1580000.00 1350000.00 903000.00 852000.00 815000.00 460000.00 1600000.00 565000.00 1300000.00 1100000.00 1060000.00 1280000.00 1380000.00 823000.00 781000.00 1520000.00 Inosine 19700000.00 13000000.00 5750000.00 4810000.00 12600000.00 13100000.00 21500000.00 9640000.00 9800000.00 8080000.00 13700000.00 14600000.00 12400000.00 10800000.00 12500000.00 22800000.00 11800000.00 7720000.00 16100000.00 3300000.00 10900000.00 9400000.00 16400000.00 7810000.00 8080000.00 3070000.00 3390000.00 7600000.00 3510000.00 6750000.00 14200000.00 4660000.00 3770000.00 3350000.00 7740000.00 14500000.00 3580000.00 9240000.00 13700000.00 24000000.00 19900000.00 11600000.00 12900000.00 8520000.00 9980000.00 5790000.00 12500000.00 6710000.00 15000000.00 10800000.00 21500000.00 18800000.00 31000000.00 16300000.00 8100000.00 20200000.00 Uracil 4360000.00 2790000.00 1740000.00 1580000.00 2460000.00 1970000.00 3740000.00 2260000.00 1800000.00 2220000.00 2660000.00 2990000.00 3060000.00 2850000.00 3610000.00 5600000.00 8080000.00 3140000.00 3160000.00 2380000.00 2400000.00 4200000.00 4380000.00 4840000.00 3460000.00 1980000.00 1420000.00 2500000.00 2510000.00 3660000.00 3740000.00 1850000.00 2070000.00 2300000.00 2320000.00 1440000.00 828000.00 2250000.00 2890000.00 3080000.00 2300000.00 2430000.00 2460000.00 2350000.00 2480000.00 4320000.00 2530000.00 1870000.00 2000000.00 1990000.00 4460000.00 3700000.00 4700000.00 3710000.00 1910000.00 3170000.00 NAD+ 16400000.00 15900000.00 16300000.00 17200000.00 16700000.00 19700000.00 11100000.00 16500000.00 14700000.00 17400000.00 15800000.00 8180000.00 17600000.00 15100000.00 10600000.00 15100000.00 16200000.00 18700000.00 17100000.00 17100000.00 16200000.00 15600000.00 14300000.00 15400000.00 18400000.00 19200000.00 19100000.00 9910000.00 18800000.00 16200000.00 10600000.00 20300000.00 16600000.00 18100000.00 12400000.00 18000000.00 21300000.00 11400000.00 12700000.00 15300000.00 15600000.00 16900000.00 14700000.00 16500000.00 16800000.00 14600000.00 17900000.00 17200000.00 13300000.00 14000000.00 12200000.00 13200000.00 12700000.00 11200000.00 13800000.00 12000000.00 NADH 4170000.00 3970000.00 4130000.00 4410000.00 4240000.00 5000000.00 2890000.00 4190000.00 3810000.00 4320000.00 3940000.00 2090000.00 4360000.00 3770000.00 2660000.00 3780000.00 4080000.00 4920000.00 4320000.00 4380000.00 4130000.00 3870000.00 3470000.00 3900000.00 4760000.00 4930000.00 4780000.00 2520000.00 4730000.00 4050000.00 2760000.00 5090000.00 4190000.00 4640000.00 3140000.00 4590000.00 5410000.00 2860000.00 3170000.00 3850000.00 3880000.00 4260000.00 3750000.00 4230000.00 3910000.00 3690000.00 4580000.00 4290000.00 3320000.00 3570000.00 3080000.00 3320000.00 3120000.00 2860000.00 3520000.00 2990000.00 Glutathione 468000000.00 560000000.00 467000000.00 427000000.00 476000000.00 469000000.00 534000000.00 578000000.00 569000000.00 463000000.00 580000000.00 481000000.00 659000000.00 691000000.00 554000000.00 607000000.00 660000000.00 707000000.00 588000000.00 697000000.00 541000000.00 652000000.00 656000000.00 548000000.00 758000000.00 765000000.00 724000000.00 628000000.00 775000000.00 850000000.00 579000000.00 814000000.00 662000000.00 671000000.00 522000000.00 559000000.00 603000000.00 567000000.00 649000000.00 653000000.00 569000000.00 631000000.00 526000000.00 701000000.00 631000000.00 558000000.00 567000000.00 593000000.00 503000000.00 597000000.00 633000000.00 640000000.00 582000000.00 455000000.00 626000000.00 512000000.00 Glutathione disulfide 9740000.00 7580000.00 7020000.00 8170000.00 7830000.00 8460000.00 6170000.00 7960000.00 7910000.00 8060000.00 9350000.00 11000000.00 5370000.00 6090000.00 12200000.00 7240000.00 8350000.00 6010000.00 6150000.00 8230000.00 6740000.00 7420000.00 7790000.00 6010000.00 5640000.00 4290000.00 5190000.00 7240000.00 6190000.00 3880000.00 5680000.00 5500000.00 5100000.00 7270000.00 12900000.00 4320000.00 4430000.00 8350000.00 6070000.00 7720000.00 10800000.00 6280000.00 7620000.00 6660000.00 9200000.00 6990000.00 9090000.00 7940000.00 7620000.00 10500000.00 8750000.00 7290000.00 6730000.00 9850000.00 8480000.00 8530000.00 5-Oxoproline 345000000.00 242000000.00 262000000.00 328000000.00 282000000.00 300000000.00 285000000.00 286000000.00 244000000.00 298000000.00 355000000.00 276000000.00 333000000.00 293000000.00 256000000.00 356000000.00 371000000.00 386000000.00 414000000.00 337000000.00 307000000.00 348000000.00 339000000.00 377000000.00 243000000.00 295000000.00 295000000.00 344000000.00 299000000.00 278000000.00 198000000.00 280000000.00 227000000.00 301000000.00 281000000.00 346000000.00 335000000.00 313000000.00 267000000.00 315000000.00 383000000.00 381000000.00 258000000.00 367000000.00 314000000.00 233000000.00 419000000.00 327000000.00 486000000.00 384000000.00 298000000.00 341000000.00 334000000.00 305000000.00 345000000.00 245000000.00 S-Glutathionyl-L-cysteine 6590000.00 6690000.00 5480000.00 5890000.00 4490000.00 6900000.00 5500000.00 5610000.00 6630000.00 7660000.00 6150000.00 7510000.00 4840000.00 4440000.00 8010000.00 5930000.00 6390000.00 5060000.00 3450000.00 5200000.00 6220000.00 6250000.00 8740000.00 5860000.00 3030000.00 3390000.00 3840000.00 4910000.00 4940000.00 3260000.00 4960000.00 5790000.00 7050000.00 5580000.00 7150000.00 4230000.00 4140000.00 5600000.00 5570000.00 6270000.00 7220000.00 6970000.00 7100000.00 7930000.00 7440000.00 7190000.00 9580000.00 8680000.00 8000000.00 8680000.00 8900000.00 7650000.00 7810000.00 6760000.00 4460000.00 7170000.00 gamma-L-Glutamyl-L-cysteine 2180000.00 1930000.00 1500000.00 1390000.00 1780000.00 1520000.00 1330000.00 1880000.00 1270000.00 1720000.00 2270000.00 2010000.00 2760000.00 2810000.00 1840000.00 2780000.00 2440000.00 2520000.00 1950000.00 2530000.00 2060000.00 2190000.00 1820000.00 1930000.00 2250000.00 2350000.00 3060000.00 2240000.00 2320000.00 2450000.00 1520000.00 3430000.00 2700000.00 2240000.00 2040000.00 2410000.00 2320000.00 2000000.00 1450000.00 1470000.00 1580000.00 1490000.00 1440000.00 1960000.00 1870000.00 1900000.00 1510000.00 2180000.00 1310000.00 1480000.00 1500000.00 2240000.00 1860000.00 1600000.00 1870000.00 1580000.00 gamma-Glutamyl-Se-methylselenocysteine 992000.00 876000.00 583000.00 651000.00 582000.00 622000.00 1170000.00 732000.00 1210000.00 625000.00 689000.00 939000.00 965000.00 881000.00 912000.00 1080000.00 1230000.00 1110000.00 866000.00 808000.00 560000.00 900000.00 1220000.00 1060000.00 833000.00 912000.00 912000.00 613000.00 970000.00 814000.00 776000.00 977000.00 873000.00 723000.00 652000.00 624000.00 751000.00 574000.00 911000.00 1020000.00 523000.00 933000.00 680000.00 611000.00 794000.00 772000.00 734000.00 782000.00 536000.00 680000.00 1010000.00 919000.00 1100000.00 1220000.00 629000.00 823000.00 gamma-L-Glutamyl-D-alanine 1900000.00 1030000.00 856000.00 644000.00 1400000.00 874000.00 830000.00 1190000.00 900000.00 1340000.00 1730000.00 914000.00 1090000.00 1030000.00 955000.00 1910000.00 1710000.00 1640000.00 1860000.00 1340000.00 1290000.00 1830000.00 1730000.00 1650000.00 1490000.00 1630000.00 1130000.00 979000.00 1300000.00 1230000.00 1040000.00 919000.00 926000.00 1160000.00 1260000.00 1250000.00 1150000.00 2080000.00 950000.00 1420000.00 768000.00 710000.00 1010000.00 900000.00 1200000.00 774000.00 900000.00 844000.00 1640000.00 997000.00 909000.00 1140000.00 1310000.00 1270000.00 1180000.00 856000.00 gamma-Glutamyl-gamma-aminobutyrate 963000.00 701000.00 624000.00 692000.00 752000.00 809000.00 1150000.00 941000.00 768000.00 542000.00 1250000.00 1220000.00 1080000.00 1050000.00 718000.00 1290000.00 1200000.00 912000.00 988000.00 848000.00 680000.00 707000.00 840000.00 694000.00 909000.00 897000.00 790000.00 749000.00 838000.00 862000.00 843000.00 699000.00 628000.00 696000.00 903000.00 753000.00 986000.00 745000.00 688000.00 613000.00 905000.00 1060000.00 501000.00 783000.00 864000.00 859000.00 855000.00 982000.00 491000.00 606000.00 716000.00 705000.00 545000.00 462000.00 561000.00 482000.00 (5-L-Glutamyl)-peptide 102000.00 0.00 40700.00 61200.00 90200.00 11500.00 35300.00 15500.00 10300.00 0.00 27500.00 27200.00 4860.00 30700.00 0.00 674000.00 570000.00 501000.00 542000.00 13300.00 277000.00 0.00 186000.00 236000.00 123000.00 130000.00 0.00 5050.00 12900.00 2410.00 147000.00 0.00 5540.00 0.00 5440.00 0.00 5330.00 0.00 18800.00 5550.00 31800.00 91400.00 18600.00 9320.00 31600.00 43400.00 14900.00 0.00 14500.00 12800.00 29600.00 26900.00 10300.00 18800.00 8460.00 41900.00 (5-L-Glutamyl)-L-glutamine 1720000.00 1060000.00 1210000.00 1190000.00 1260000.00 1730000.00 1200000.00 1470000.00 1330000.00 2860000.00 2200000.00 1460000.00 1590000.00 1520000.00 1160000.00 1620000.00 2000000.00 1770000.00 1230000.00 1530000.00 1330000.00 1530000.00 2070000.00 1470000.00 1560000.00 1240000.00 1660000.00 1310000.00 1790000.00 1250000.00 1050000.00 1850000.00 1630000.00 1470000.00 1170000.00 1600000.00 1820000.00 1470000.00 1170000.00 1380000.00 1770000.00 1450000.00 1060000.00 1710000.00 1500000.00 977000.00 1670000.00 1890000.00 2520000.00 1810000.00 1230000.00 1830000.00 1520000.00 1380000.00 1110000.00 1440000.00 5-L-Glutamyl-taurine 174000.00 407000.00 295000.00 114000.00 83700.00 185000.00 347000.00 368000.00 304000.00 773000.00 745000.00 668000.00 936000.00 689000.00 1150000.00 1760000.00 1830000.00 2100000.00 2200000.00 2330000.00 1280000.00 1810000.00 1680000.00 1910000.00 1010000.00 2130000.00 2540000.00 1790000.00 1650000.00 1210000.00 1190000.00 2480000.00 1940000.00 2360000.00 1840000.00 3060000.00 3220000.00 3310000.00 1730000.00 2000000.00 2520000.00 2590000.00 2250000.00 2690000.00 2070000.00 1740000.00 3190000.00 1960000.00 2330000.00 2180000.00 1180000.00 1730000.00 1910000.00 1770000.00 1730000.00 1820000.00 L-Homocysteine 126000.00 74500.00 41500.00 124000.00 53200.00 72500.00 30700.00 110000.00 44800.00 31300.00 152000.00 80900.00 95400.00 76100.00 141000.00 163000.00 140000.00 161000.00 140000.00 159000.00 93500.00 136000.00 104000.00 134000.00 49300.00 44200.00 131000.00 51800.00 141000.00 77000.00 146000.00 114000.00 97500.00 112000.00 138000.00 76700.00 95900.00 58600.00 116000.00 72800.00 97000.00 68700.00 105000.00 142000.00 63900.00 111000.00 81100.00 62200.00 113000.00 120000.00 71800.00 130000.00 91200.00 28800.00 24400.00 74100.00 Cystathionine 890000.00 1110000.00 1320000.00 1040000.00 895000.00 903000.00 1430000.00 1220000.00 2090000.00 773000.00 904000.00 1260000.00 692000.00 723000.00 1020000.00 932000.00 1100000.00 1110000.00 1050000.00 1190000.00 1460000.00 623000.00 901000.00 1010000.00 844000.00 848000.00 2330000.00 1530000.00 785000.00 1040000.00 1030000.00 988000.00 1260000.00 831000.00 775000.00 874000.00 619000.00 976000.00 695000.00 735000.00 558000.00 1240000.00 909000.00 649000.00 857000.00 698000.00 635000.00 860000.00 852000.00 968000.00 919000.00 864000.00 931000.00 724000.00 972000.00 850000.00 N-N-Dimethylglycine 13800000.00 13200000.00 16400000.00 12400000.00 17800000.00 14500000.00 11500000.00 16600000.00 13300000.00 14100000.00 18000000.00 12900000.00 12400000.00 15100000.00 11800000.00 11500000.00 11900000.00 18300000.00 14600000.00 15600000.00 17900000.00 11700000.00 15800000.00 15700000.00 14800000.00 19100000.00 16800000.00 18700000.00 17900000.00 18100000.00 17500000.00 13800000.00 12000000.00 14700000.00 12300000.00 9780000.00 8910000.00 18500000.00 13100000.00 11900000.00 11600000.00 12700000.00 15600000.00 11900000.00 15600000.00 13400000.00 16200000.00 11800000.00 20900000.00 13800000.00 11200000.00 16100000.00 12300000.00 10300000.00 15300000.00 13200000.00 D-O-Phosphoserine 36900.00 62000.00 22000.00 189000.00 142000.00 126000.00 79900.00 82200.00 46100.00 28700.00 59700.00 38700.00 145000.00 116000.00 29200.00 122000.00 139000.00 68600.00 155000.00 133000.00 193000.00 124000.00 25700.00 60800.00 73500.00 113000.00 71600.00 0.00 85100.00 88400.00 47600.00 91100.00 99400.00 102000.00 105000.00 37400.00 20000.00 51700.00 83100.00 102000.00 118000.00 198000.00 69200.00 118000.00 71100.00 97400.00 138000.00 163000.00 78000.00 101000.00 46100.00 106000.00 53700.00 0.00 135000.00 66800.00 S-Adenosyl-L-homocysteine 10700000.00 10100000.00 5780000.00 7020000.00 7560000.00 6380000.00 10900000.00 6850000.00 6280000.00 4990000.00 8050000.00 8140000.00 7220000.00 6530000.00 9740000.00 9840000.00 9840000.00 6830000.00 7850000.00 6940000.00 7600000.00 11800000.00 12200000.00 11500000.00 7660000.00 6410000.00 8000000.00 8930000.00 8370000.00 8550000.00 9830000.00 6000000.00 7060000.00 6850000.00 7630000.00 7770000.00 5940000.00 5720000.00 5450000.00 7540000.00 8330000.00 8760000.00 6730000.00 7350000.00 6840000.00 7230000.00 7020000.00 7120000.00 5950000.00 6780000.00 8080000.00 7400000.00 8460000.00 8230000.00 5030000.00 6310000.00 S-Adenosyl-L-methionine 1460000.00 1300000.00 2100000.00 1380000.00 1810000.00 2030000.00 1150000.00 2180000.00 1330000.00 2220000.00 2620000.00 2240000.00 2080000.00 2660000.00 1870000.00 1990000.00 2410000.00 3110000.00 2900000.00 4640000.00 2030000.00 2320000.00 2870000.00 3050000.00 3870000.00 6080000.00 6090000.00 4370000.00 4470000.00 4080000.00 3400000.00 4850000.00 5320000.00 3720000.00 2510000.00 3400000.00 3770000.00 4380000.00 3600000.00 3270000.00 4090000.00 1730000.00 3700000.00 4090000.00 4000000.00 3090000.00 3580000.00 4070000.00 3050000.00 2810000.00 3090000.00 2460000.00 3310000.00 3030000.00 3600000.00 4620000.00 Sarcosine 324000000.00 36600000.00 258000000.00 34600000.00 330000000.00 216000000.00 42800000.00 282000000.00 283000000.00 267000000.00 358000000.00 270000000.00 32800000.00 260000000.00 303000000.00 376000000.00 356000000.00 333000000.00 359000000.00 318000000.00 316000000.00 321000000.00 379000000.00 383000000.00 363000000.00 406000000.00 45400000.00 307000000.00 327000000.00 289000000.00 321000000.00 315000000.00 51400000.00 31400000.00 40100000.00 236000000.00 212000000.00 28400000.00 24700000.00 312000000.00 233000000.00 46500000.00 302000000.00 250000000.00 283000000.00 26400000.00 238000000.00 283000000.00 321000000.00 231000000.00 308000000.00 264000000.00 303000000.00 270000000.00 339000000.00 270000000.00 Folate 2350000.00 1540000.00 1410000.00 1430000.00 2200000.00 1700000.00 1800000.00 2410000.00 2480000.00 1090000.00 2680000.00 2140000.00 1780000.00 1910000.00 2850000.00 237000.00 535000.00 411000.00 427000.00 1770000.00 547000.00 1920000.00 2150000.00 1910000.00 5720000.00 3650000.00 1540000.00 2470000.00 3630000.00 4450000.00 3870000.00 7470000.00 5700000.00 4800000.00 3120000.00 1010000.00 2010000.00 1800000.00 2830000.00 2830000.00 1740000.00 1190000.00 2650000.00 1490000.00 4500000.00 3340000.00 758000.00 2340000.00 662000.00 1610000.00 2400000.00 1040000.00 2610000.00 841000.00 2790000.00 3330000.00 Tetrahydrofolate 594000.00 534000.00 352000.00 419000.00 507000.00 515000.00 643000.00 396000.00 330000.00 450000.00 644000.00 611000.00 613000.00 593000.00 674000.00 664000.00 448000.00 285000.00 512000.00 292000.00 475000.00 353000.00 469000.00 367000.00 309000.00 365000.00 473000.00 559000.00 454000.00 349000.00 541000.00 383000.00 413000.00 319000.00 420000.00 475000.00 260000.00 333000.00 476000.00 553000.00 552000.00 514000.00 394000.00 650000.00 545000.00 219000.00 447000.00 651000.00 515000.00 477000.00 546000.00 300000.00 687000.00 351000.00 542000.00 666000.00 10-Formyltetrahydrofolate 17000.00 32400.00 17600.00 6490.00 31300.00 28900.00 43000.00 37300.00 20100.00 15800.00 22100.00 56200.00 21300.00 16000.00 30000.00 18400.00 20000.00 13100.00 39700.00 9710.00 31100.00 24700.00 31000.00 24900.00 29600.00 13700.00 19000.00 23500.00 8560.00 9120.00 60600.00 25500.00 24100.00 24300.00 22000.00 34600.00 12900.00 28200.00 54800.00 80200.00 26300.00 30000.00 50200.00 9720.00 35300.00 19400.00 30900.00 13200.00 7050.00 24400.00 27400.00 29400.00 42500.00 6140.00 25700.00 46900.00 Dihydrofolate 31400.00 14900.00 24200.00 11100.00 4670.00 25200.00 13300.00 9490.00 3950.00 11400.00 15300.00 21600.00 15500.00 10500.00 15600.00 21100.00 9840.00 3580.00 15200.00 21000.00 20000.00 9280.00 25000.00 29400.00 16900.00 11600.00 27400.00 17500.00 13400.00 21400.00 5600.00 3710.00 10400.00 5600.00 4890.00 2780.00 8640.00 12600.00 28200.00 17000.00 15700.00 28700.00 20300.00 37900.00 26400.00 17900.00 46000.00 39900.00 9800.00 9480.00 27500.00 5010.00 36500.00 16100.00 20900.00 17400.00 5-10-Methenyltetrahydrofolate 31500000.00 30500000.00 30300000.00 31800000.00 27100000.00 27000000.00 27700000.00 29000000.00 23700000.00 24300000.00 39000000.00 25200000.00 29400000.00 23300000.00 31700000.00 23200000.00 31200000.00 21700000.00 18500000.00 26200000.00 16700000.00 19000000.00 9800000.00 5560000.00 6800000.00 16000000.00 7550000.00 6270000.00 5710000.00 3680000.00 4040000.00 17400000.00 6490000.00 2970000.00 4780000.00 6440000.00 6340000.00 8870000.00 5680000.00 4340000.00 10300000.00 16100000.00 6630000.00 26000000.00 12200000.00 8070000.00 27600000.00 10500000.00 14100000.00 9940000.00 17800000.00 16900000.00 17400000.00 13300000.00 21100000.00 13600000.00 Ornithine 3120000.00 3200000.00 3110000.00 3050000.00 3590000.00 3450000.00 5280000.00 3280000.00 4760000.00 3030000.00 3110000.00 4160000.00 3810000.00 3720000.00 3210000.00 3790000.00 3300000.00 2980000.00 3220000.00 2990000.00 2800000.00 3420000.00 3570000.00 4080000.00 3010000.00 3020000.00 6450000.00 4640000.00 4710000.00 4250000.00 5230000.00 2320000.00 4670000.00 3760000.00 3400000.00 3090000.00 3020000.00 2980000.00 3320000.00 3990000.00 3350000.00 5130000.00 3180000.00 3050000.00 3270000.00 3740000.00 2510000.00 4190000.00 3510000.00 4070000.00 3990000.00 3250000.00 3640000.00 2500000.00 3810000.00 3920000.00 L-Citrulline 6370000.00 8970000.00 5570000.00 5690000.00 6330000.00 5650000.00 9670000.00 5540000.00 5980000.00 5340000.00 5960000.00 4700000.00 5890000.00 5120000.00 6030000.00 6810000.00 6500000.00 4110000.00 2830000.00 4850000.00 4790000.00 7280000.00 6510000.00 6390000.00 2950000.00 2750000.00 5840000.00 5320000.00 5080000.00 5450000.00 6450000.00 4730000.00 7210000.00 5870000.00 7140000.00 4580000.00 4680000.00 6060000.00 5100000.00 5900000.00 6440000.00 10100000.00 6260000.00 7060000.00 7670000.00 8570000.00 4730000.00 6240000.00 6910000.00 9040000.00 11400000.00 7510000.00 6180000.00 6170000.00 6050000.00 5060000.00 N-(L-Arginino)succinate 1040000.00 998000.00 756000.00 833000.00 599000.00 1020000.00 996000.00 1150000.00 995000.00 864000.00 671000.00 1050000.00 697000.00 1080000.00 1190000.00 734000.00 591000.00 540000.00 458000.00 666000.00 831000.00 674000.00 705000.00 701000.00 594000.00 430000.00 935000.00 589000.00 686000.00 766000.00 841000.00 985000.00 1210000.00 1340000.00 1210000.00 638000.00 718000.00 1220000.00 940000.00 1190000.00 984000.00 1170000.00 1270000.00 965000.00 1380000.00 1420000.00 590000.00 949000.00 1120000.00 1540000.00 1430000.00 1310000.00 1360000.00 929000.00 861000.00 1480000.00 Urate 2510000.00 2830000.00 2390000.00 2550000.00 2080000.00 2060000.00 2120000.00 2990000.00 2100000.00 2840000.00 2760000.00 2600000.00 2530000.00 3000000.00 3350000.00 2770000.00 2970000.00 2700000.00 2690000.00 3330000.00 3030000.00 2020000.00 1780000.00 1690000.00 1720000.00 2020000.00 1980000.00 2260000.00 1960000.00 2000000.00 1630000.00 2400000.00 2370000.00 2430000.00 3330000.00 1890000.00 2220000.00 2370000.00 1850000.00 1670000.00 2680000.00 1720000.00 1870000.00 3070000.00 2710000.00 2530000.00 3100000.00 2750000.00 2440000.00 2720000.00 2450000.00 2170000.00 2220000.00 2300000.00 2380000.00 2490000.00 Putrescine 41500.00 42600.00 52800.00 49200.00 46500.00 32300.00 60300.00 61200.00 56100.00 64200.00 40700.00 64400.00 62300.00 83400.00 52800.00 227000.00 220000.00 417000.00 312000.00 75200.00 163000.00 64000.00 125000.00 121000.00 77900.00 94500.00 100000.00 96400.00 94500.00 73800.00 76300.00 55900.00 53100.00 41700.00 31400.00 75000.00 33800.00 55500.00 45000.00 41700.00 34800.00 26100.00 47000.00 41900.00 33500.00 44700.00 39000.00 35400.00 53000.00 64200.00 45300.00 38700.00 47200.00 40900.00 38700.00 43000.00 Spermidine 113000.00 133000.00 101000.00 64800.00 103000.00 73000.00 124000.00 126000.00 105000.00 156000.00 159000.00 207000.00 176000.00 180000.00 153000.00 329000.00 254000.00 280000.00 242000.00 154000.00 145000.00 196000.00 209000.00 179000.00 164000.00 219000.00 164000.00 200000.00 203000.00 151000.00 95000.00 181000.00 117000.00 128000.00 122000.00 137000.00 145000.00 138000.00 157000.00 165000.00 119000.00 114000.00 121000.00 92200.00 98400.00 118000.00 75900.00 101000.00 101000.00 86700.00 116000.00 98200.00 80500.00 162000.00 147000.00 96600.00 Spermine 22700.00 24300.00 10900.00 4110.00 19400.00 17100.00 23800.00 13600.00 18600.00 20400.00 16800.00 21800.00 16200.00 14900.00 5500.00 19600.00 10800.00 13900.00 15400.00 6420.00 9510.00 7900.00 17100.00 10500.00 11100.00 10100.00 3260.00 3560.00 8010.00 7580.00 4670.00 2940.00 5830.00 4850.00 4310.00 4340.00 3350.00 3790.00 6390.00 7950.00 4570.00 4600.00 5250.00 3390.00 3970.00 11000.00 3710.00 2520.00 1270.00 7820.00 5140.00 5570.00 2720.00 13900.00 2650.00 7710.00 N-Acetylneuraminate 1370000.00 1580000.00 1350000.00 1260000.00 1710000.00 1270000.00 1520000.00 1640000.00 2300000.00 2300000.00 2410000.00 1710000.00 1610000.00 1790000.00 1570000.00 2050000.00 1500000.00 1630000.00 1650000.00 1500000.00 1960000.00 1050000.00 1530000.00 1110000.00 1060000.00 1050000.00 1430000.00 1400000.00 1320000.00 957000.00 1990000.00 1280000.00 1230000.00 1460000.00 1430000.00 1260000.00 1460000.00 1060000.00 1300000.00 1490000.00 1170000.00 1270000.00 1220000.00 1090000.00 1740000.00 966000.00 1500000.00 1590000.00 1690000.00 1610000.00 1320000.00 1660000.00 1660000.00 1110000.00 1780000.00 1510000.00 alpha-D-Glucosamine 1-phosphate 48900.00 9420.00 25400.00 13900.00 69000.00 79700.00 39400.00 14300.00 12300.00 7900.00 30600.00 116000.00 26200.00 17800.00 32900.00 249000.00 224000.00 141000.00 181000.00 21400.00 187000.00 118000.00 121000.00 179000.00 70700.00 30200.00 122000.00 131000.00 68100.00 218000.00 200000.00 31300.00 24500.00 100000.00 186000.00 9100.00 41300.00 42800.00 20200.00 81900.00 45900.00 73100.00 36700.00 107000.00 25800.00 54300.00 177000.00 31900.00 52300.00 95200.00 118000.00 99800.00 29800.00 12400.00 42400.00 21100.00 D-Glucosamine 2800000.00 2290000.00 1720000.00 2490000.00 1890000.00 2560000.00 2140000.00 1870000.00 1790000.00 1870000.00 1080000.00 1970000.00 1460000.00 1450000.00 2340000.00 1420000.00 1760000.00 1520000.00 1080000.00 1180000.00 1000000.00 1310000.00 1530000.00 1870000.00 1330000.00 908000.00 797000.00 893000.00 907000.00 766000.00 1160000.00 1040000.00 701000.00 1670000.00 1980000.00 1510000.00 888000.00 1500000.00 1270000.00 1620000.00 1680000.00 1260000.00 1220000.00 1270000.00 1310000.00 1810000.00 1470000.00 1070000.00 1420000.00 2240000.00 1560000.00 2010000.00 1510000.00 1410000.00 1270000.00 1810000.00 L-Arabinose 958000.00 1200000.00 903000.00 1080000.00 1210000.00 1300000.00 1440000.00 1230000.00 1480000.00 1220000.00 1240000.00 1370000.00 1480000.00 1150000.00 1300000.00 1640000.00 1340000.00 1270000.00 1400000.00 1140000.00 1560000.00 1230000.00 1870000.00 1450000.00 1380000.00 1400000.00 959000.00 1210000.00 982000.00 1140000.00 1160000.00 538000.00 823000.00 867000.00 1040000.00 735000.00 567000.00 1050000.00 668000.00 1280000.00 1210000.00 1380000.00 1040000.00 1090000.00 1130000.00 983000.00 1310000.00 1300000.00 1550000.00 1290000.00 1150000.00 1100000.00 1090000.00 843000.00 1320000.00 1050000.00 1-4-beta-D-Xylan 335000.00 284000.00 341000.00 289000.00 282000.00 321000.00 317000.00 254000.00 255000.00 383000.00 400000.00 242000.00 212000.00 252000.00 320000.00 368000.00 434000.00 361000.00 333000.00 318000.00 462000.00 495000.00 548000.00 545000.00 357000.00 319000.00 275000.00 432000.00 318000.00 347000.00 358000.00 409000.00 273000.00 364000.00 298000.00 218000.00 224000.00 401000.00 321000.00 295000.00 426000.00 282000.00 305000.00 329000.00 381000.00 418000.00 390000.00 474000.00 410000.00 369000.00 316000.00 359000.00 514000.00 444000.00 291000.00 393000.00 gamma-L-Glutamylputrescine 60700.00 69500.00 22100.00 34300.00 60200.00 39400.00 31500.00 25100.00 19800.00 81100.00 41900.00 34500.00 52300.00 29300.00 23900.00 78200.00 52100.00 30100.00 179000.00 32300.00 80100.00 22700.00 99900.00 36000.00 54100.00 41900.00 94600.00 89300.00 79400.00 27400.00 103000.00 74200.00 73200.00 47500.00 74300.00 118000.00 79000.00 100000.00 109000.00 121000.00 146000.00 91600.00 67200.00 76800.00 79700.00 63200.00 80600.00 57000.00 79700.00 83000.00 81200.00 59400.00 118000.00 50300.00 86900.00 112000.00 Homocarnosine 282000.00 1900000.00 191000.00 176000.00 177000.00 163000.00 119000.00 236000.00 239000.00 382000.00 207000.00 304000.00 497000.00 144000.00 224000.00 2370000.00 209000.00 67000.00 106000.00 170000.00 110000.00 2820000.00 269000.00 119000.00 184000.00 121000.00 273000.00 85800.00 192000.00 159000.00 75000.00 166000.00 389000.00 106000.00 77200.00 197000.00 158000.00 116000.00 159000.00 126000.00 125000.00 169000.00 176000.00 157000.00 168000.00 249000.00 133000.00 219000.00 222000.00 178000.00 2640000.00 210000.00 286000.00 169000.00 228000.00 247000.00 Phosphocreatine 78400.00 657000.00 177000.00 152000.00 165000.00 101000.00 91700.00 144000.00 138000.00 136000.00 223000.00 182000.00 195000.00 135000.00 72100.00 450000.00 129000.00 269000.00 106000.00 293000.00 200000.00 4120000.00 70600.00 115000.00 129000.00 143000.00 556000.00 195000.00 287000.00 460000.00 76000.00 196000.00 498000.00 272000.00 206000.00 279000.00 246000.00 195000.00 151000.00 128000.00 282000.00 365000.00 178000.00 260000.00 183000.00 160000.00 180000.00 283000.00 125000.00 183000.00 1420000.00 191000.00 83600.00 88200.00 269000.00 119000.00 Creatine 265000000.00 812000000.00 122000000.00 161000000.00 206000000.00 184000000.00 169000000.00 183000000.00 177000000.00 312000000.00 192000000.00 225000000.00 419000000.00 166000000.00 137000000.00 953000000.00 143000000.00 190000000.00 162000000.00 174000000.00 193000000.00 1130000000.00 128000000.00 127000000.00 94800000.00 112000000.00 204000000.00 86600000.00 93600000.00 91700000.00 86800000.00 131000000.00 149000000.00 125000000.00 138000000.00 199000000.00 130000000.00 144000000.00 174000000.00 146000000.00 326000000.00 342000000.00 182000000.00 317000000.00 187000000.00 127000000.00 191000000.00 196000000.00 189000000.00 173000000.00 894000000.00 256000000.00 262000000.00 151000000.00 240000000.00 188000000.00 Creatinine 11200000.00 11700000.00 11000000.00 9790000.00 9540000.00 10400000.00 10900000.00 9710000.00 13500000.00 9790000.00 11600000.00 9400000.00 10600000.00 12000000.00 12400000.00 12800000.00 11500000.00 13000000.00 10300000.00 10900000.00 10200000.00 12400000.00 14600000.00 12000000.00 12400000.00 9460000.00 11100000.00 8890000.00 10400000.00 9110000.00 8570000.00 9630000.00 9560000.00 9060000.00 9290000.00 9410000.00 11900000.00 8790000.00 8230000.00 9820000.00 12200000.00 14000000.00 8720000.00 10800000.00 9840000.00 8890000.00 9740000.00 10700000.00 13800000.00 11200000.00 13100000.00 13100000.00 12500000.00 6770000.00 11800000.00 8560000.00 4-Acetamidobutanoate 1830000.00 1410000.00 931000.00 1690000.00 1100000.00 1960000.00 1490000.00 1900000.00 1940000.00 2220000.00 1730000.00 1700000.00 1640000.00 2080000.00 2140000.00 1360000.00 1890000.00 2140000.00 2160000.00 1540000.00 1570000.00 1810000.00 2340000.00 1880000.00 2010000.00 1150000.00 1330000.00 1380000.00 1370000.00 1040000.00 1770000.00 3470000.00 4510000.00 3290000.00 2800000.00 1750000.00 2950000.00 2400000.00 1570000.00 1910000.00 1850000.00 1420000.00 1770000.00 1950000.00 2690000.00 1900000.00 1550000.00 1320000.00 1750000.00 2270000.00 1810000.00 1500000.00 1980000.00 925000.00 1490000.00 1980000.00 N-Acetyl-L-citrulline 742000.00 961000.00 393000.00 485000.00 763000.00 642000.00 575000.00 607000.00 667000.00 1300000.00 840000.00 960000.00 734000.00 475000.00 473000.00 1110000.00 632000.00 633000.00 2490000.00 321000.00 1000000.00 331000.00 1800000.00 439000.00 709000.00 357000.00 729000.00 944000.00 436000.00 345000.00 898000.00 667000.00 584000.00 494000.00 604000.00 2080000.00 639000.00 1210000.00 831000.00 889000.00 1170000.00 602000.00 613000.00 573000.00 829000.00 406000.00 794000.00 367000.00 803000.00 664000.00 494000.00 580000.00 1170000.00 335000.00 915000.00 670000.00 N-Acetylornithine 1810000.00 1430000.00 821000.00 1250000.00 1960000.00 1290000.00 2130000.00 1650000.00 1420000.00 858000.00 1930000.00 3210000.00 2570000.00 4300000.00 1560000.00 1420000.00 1820000.00 711000.00 1210000.00 1230000.00 951000.00 2470000.00 2730000.00 2480000.00 3280000.00 2870000.00 2700000.00 2060000.00 2440000.00 2310000.00 2540000.00 1880000.00 2460000.00 2480000.00 1860000.00 1530000.00 1210000.00 1250000.00 1580000.00 1590000.00 2760000.00 2420000.00 1250000.00 2610000.00 2360000.00 3050000.00 1700000.00 2660000.00 1130000.00 1530000.00 1720000.00 2500000.00 2190000.00 1190000.00 1050000.00 1260000.00 N-Succinyl-L-citrulline 1720000.00 1060000.00 1210000.00 1190000.00 1260000.00 1730000.00 1200000.00 1470000.00 1330000.00 2860000.00 2200000.00 1460000.00 1590000.00 1520000.00 1160000.00 1620000.00 2000000.00 1770000.00 1230000.00 1530000.00 1330000.00 1530000.00 2070000.00 1470000.00 1560000.00 1240000.00 1660000.00 1310000.00 1790000.00 1250000.00 1050000.00 1850000.00 1630000.00 1470000.00 1170000.00 1600000.00 1820000.00 1470000.00 1170000.00 1380000.00 1770000.00 1450000.00 1060000.00 1710000.00 1500000.00 977000.00 1670000.00 1890000.00 2520000.00 1810000.00 1230000.00 1830000.00 1520000.00 1380000.00 1110000.00 1440000.00 Guanidinoacetate 2300000.00 4030000.00 1440000.00 1770000.00 1480000.00 1720000.00 5250000.00 2550000.00 3810000.00 2310000.00 3260000.00 2600000.00 3560000.00 1940000.00 2730000.00 2660000.00 2420000.00 2140000.00 1680000.00 1670000.00 2090000.00 2060000.00 1590000.00 1760000.00 1080000.00 1150000.00 1160000.00 2170000.00 2410000.00 1730000.00 1640000.00 2140000.00 4100000.00 1830000.00 2850000.00 2560000.00 1920000.00 2220000.00 1550000.00 3450000.00 2130000.00 2630000.00 1890000.00 2850000.00 2470000.00 1820000.00 2810000.00 2460000.00 2230000.00 2500000.00 3210000.00 1760000.00 3650000.00 2810000.00 1560000.00 1400000.00 trans-4-Hydroxy-L-proline 1760000.00 2020000.00 2770000.00 2810000.00 3800000.00 3830000.00 5600000.00 4900000.00 5620000.00 3910000.00 4490000.00 3930000.00 4920000.00 3890000.00 3290000.00 2450000.00 3580000.00 5460000.00 3710000.00 3620000.00 3710000.00 1390000.00 3580000.00 3690000.00 3710000.00 3020000.00 3550000.00 2210000.00 2400000.00 2080000.00 2110000.00 2330000.00 2480000.00 2570000.00 2820000.00 2670000.00 2630000.00 4400000.00 4120000.00 4150000.00 4890000.00 5300000.00 4790000.00 4590000.00 4380000.00 3910000.00 3780000.00 4420000.00 4710000.00 4530000.00 1510000.00 3160000.00 3290000.00 2790000.00 3600000.00 2440000.00 Pantothenol 1560000.00 1070000.00 801000.00 861000.00 1420000.00 935000.00 519000.00 1170000.00 728000.00 873000.00 990000.00 788000.00 746000.00 803000.00 765000.00 1190000.00 1210000.00 791000.00 1320000.00 881000.00 1110000.00 771000.00 1030000.00 1230000.00 1420000.00 1330000.00 1670000.00 1690000.00 1150000.00 778000.00 880000.00 999000.00 2380000.00 1920000.00 1430000.00 1060000.00 1350000.00 1400000.00 1230000.00 835000.00 875000.00 753000.00 866000.00 1210000.00 805000.00 694000.00 1020000.00 1080000.00 808000.00 1260000.00 1040000.00 860000.00 634000.00 868000.00 722000.00 865000.00 Taurine 29400000.00 91400000.00 84000000.00 33700000.00 28900000.00 35400000.00 28700000.00 28500000.00 37700000.00 117000000.00 54600000.00 26100000.00 38000000.00 29700000.00 25800000.00 68500000.00 48000000.00 145000000.00 73400000.00 35400000.00 68000000.00 48000000.00 97800000.00 69100000.00 19200000.00 55300000.00 64600000.00 77400000.00 51000000.00 17900000.00 26200000.00 38100000.00 33000000.00 32500000.00 39800000.00 132000000.00 111000000.00 73200000.00 22900000.00 24300000.00 31100000.00 33000000.00 36700000.00 32400000.00 30000000.00 22400000.00 91100000.00 27400000.00 23800000.00 39300000.00 36300000.00 36500000.00 48100000.00 46200000.00 31600000.00 28400000.00 Hypotaurine 18800000.00 31900000.00 17800000.00 18100000.00 38300000.00 26800000.00 34300000.00 21200000.00 19700000.00 14700000.00 21300000.00 19300000.00 32600000.00 30200000.00 19000000.00 45900000.00 36200000.00 48800000.00 67400000.00 47800000.00 82200000.00 25600000.00 20000000.00 17900000.00 38400000.00 93200000.00 154000000.00 81500000.00 88000000.00 72400000.00 75000000.00 91100000.00 99100000.00 47400000.00 73100000.00 64100000.00 43300000.00 69000000.00 42100000.00 19000000.00 19200000.00 23100000.00 33500000.00 32100000.00 39700000.00 24400000.00 22500000.00 23100000.00 9780000.00 42500000.00 25200000.00 17700000.00 19800000.00 12900000.00 18400000.00 25600000.00 L-Selenomethionine 38500.00 0.00 18900.00 28300.00 6340.00 14700.00 22400.00 14700.00 0.00 45400.00 19700.00 62000.00 17000.00 10700.00 49600.00 13500.00 12200.00 11900.00 58000.00 17300.00 37000.00 32700.00 13800.00 22800.00 25000.00 9900.00 0.00 0.00 0.00 0.00 0.00 24200.00 18100.00 0.00 0.00 14900.00 19300.00 0.00 16400.00 0.00 0.00 0.00 0.00 4620.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5770.00 0.00 14200.00 0.00 L-Methionine S-oxide 1460000.00 1890000.00 2020000.00 1290000.00 2920000.00 1640000.00 2980000.00 1720000.00 1830000.00 1630000.00 2170000.00 1950000.00 2290000.00 1930000.00 2050000.00 3140000.00 2370000.00 2720000.00 3720000.00 3000000.00 3610000.00 2960000.00 6580000.00 6480000.00 4200000.00 5960000.00 4890000.00 3110000.00 2270000.00 2300000.00 4090000.00 2340000.00 2010000.00 2530000.00 2390000.00 1550000.00 1350000.00 3600000.00 1600000.00 2320000.00 1350000.00 1610000.00 2480000.00 1360000.00 1860000.00 1910000.00 1560000.00 1890000.00 1870000.00 2850000.00 1990000.00 1940000.00 1550000.00 1480000.00 1940000.00 1430000.00 Cys-Gly 4450000.00 5230000.00 4490000.00 4220000.00 4700000.00 4460000.00 5070000.00 5450000.00 5560000.00 4540000.00 5640000.00 4660000.00 6480000.00 6720000.00 5370000.00 5680000.00 6200000.00 6900000.00 5620000.00 6800000.00 5430000.00 6300000.00 6350000.00 5240000.00 7180000.00 7340000.00 7190000.00 6100000.00 7700000.00 8440000.00 5740000.00 7950000.00 6470000.00 6380000.00 5260000.00 5380000.00 6120000.00 5640000.00 6580000.00 6400000.00 5660000.00 6170000.00 5410000.00 7010000.00 6280000.00 5850000.00 5380000.00 6090000.00 4950000.00 5980000.00 5850000.00 6370000.00 5790000.00 4300000.00 5930000.00 5290000.00 5-Hydroxyindoleacetate 0.00 0.00 0.00 56000.00 0.00 0.00 30500.00 4510.00 0.00 0.00 37600.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47400.00 8010.00 0.00 0.00 2400.00 0.00 5180.00 0.00 6460.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69200.00 7170.00 0.00 0.00 0.00 43000.00 18300.00 62100.00 3-Methyleneoxindole 1460000.00 1530000.00 1600000.00 1390000.00 1660000.00 1470000.00 1520000.00 1810000.00 1600000.00 1610000.00 1750000.00 1720000.00 2000000.00 1520000.00 1820000.00 1260000.00 1520000.00 1750000.00 1800000.00 1810000.00 2030000.00 1490000.00 1420000.00 1700000.00 1610000.00 1800000.00 1830000.00 1340000.00 1680000.00 2330000.00 2070000.00 1750000.00 1590000.00 1730000.00 1790000.00 2280000.00 1370000.00 1610000.00 1800000.00 1510000.00 2170000.00 1840000.00 1580000.00 1710000.00 2000000.00 2180000.00 1660000.00 1970000.00 1620000.00 2080000.00 1750000.00 1600000.00 1650000.00 1570000.00 1910000.00 1860000.00 Indole 1400000.00 1310000.00 1190000.00 1210000.00 963000.00 1270000.00 892000.00 1550000.00 1320000.00 1270000.00 1290000.00 1420000.00 1310000.00 1190000.00 1610000.00 1150000.00 1010000.00 1380000.00 1240000.00 1150000.00 1380000.00 1070000.00 1260000.00 1430000.00 1360000.00 1170000.00 1280000.00 966000.00 1230000.00 1510000.00 1380000.00 1340000.00 1280000.00 1160000.00 1480000.00 1460000.00 1380000.00 1270000.00 1420000.00 1560000.00 1620000.00 1480000.00 1210000.00 1450000.00 1520000.00 1340000.00 1130000.00 1420000.00 1480000.00 1350000.00 1420000.00 1650000.00 1170000.00 1340000.00 1580000.00 1450000.00 Ectoine 481000.00 407000.00 233000.00 295000.00 225000.00 215000.00 392000.00 464000.00 332000.00 609000.00 447000.00 402000.00 313000.00 426000.00 541000.00 854000.00 477000.00 1000000.00 345000.00 368000.00 206000.00 446000.00 429000.00 501000.00 287000.00 274000.00 356000.00 220000.00 353000.00 232000.00 259000.00 230000.00 295000.00 340000.00 268000.00 366000.00 354000.00 303000.00 277000.00 264000.00 189000.00 253000.00 146000.00 215000.00 303000.00 269000.00 244000.00 319000.00 335000.00 270000.00 485000.00 585000.00 462000.00 360000.00 260000.00 202000.00 L-Carnitine 261000000.00 319000000.00 231000000.00 184000000.00 192000000.00 187000000.00 271000000.00 230000000.00 252000000.00 225000000.00 225000000.00 160000000.00 178000000.00 179000000.00 254000000.00 282000000.00 297000000.00 241000000.00 275000000.00 202000000.00 289000000.00 210000000.00 129000000.00 126000000.00 118000000.00 89200000.00 198000000.00 197000000.00 138000000.00 217000000.00 116000000.00 174000000.00 158000000.00 173000000.00 189000000.00 167000000.00 212000000.00 143000000.00 176000000.00 170000000.00 169000000.00 201000000.00 141000000.00 149000000.00 153000000.00 187000000.00 217000000.00 196000000.00 171000000.00 148000000.00 224000000.00 222000000.00 248000000.00 210000000.00 202000000.00 176000000.00 O-Propanoylcarnitine 69200000.00 56300000.00 33900000.00 42800000.00 62200000.00 39000000.00 47000000.00 50400000.00 27300000.00 47900000.00 52000000.00 41300000.00 52500000.00 48400000.00 65800000.00 84600000.00 84200000.00 77100000.00 86300000.00 42500000.00 59300000.00 31300000.00 20900000.00 19700000.00 16400000.00 16100000.00 46300000.00 26300000.00 25000000.00 41000000.00 16000000.00 45500000.00 41600000.00 33300000.00 44500000.00 46200000.00 57600000.00 33500000.00 33300000.00 45200000.00 40200000.00 38600000.00 29400000.00 33100000.00 36900000.00 31800000.00 41700000.00 49000000.00 44400000.00 32400000.00 51000000.00 68000000.00 66100000.00 49300000.00 48300000.00 42300000.00 O-Butanoylcarnitine 20300000.00 37400000.00 33900000.00 17000000.00 32200000.00 15600000.00 20500000.00 27200000.00 17500000.00 30800000.00 25200000.00 38700000.00 23500000.00 23100000.00 23600000.00 31300000.00 22400000.00 24300000.00 23500000.00 34600000.00 28200000.00 13400000.00 9940000.00 9510000.00 13700000.00 15800000.00 29400000.00 13500000.00 13900000.00 28000000.00 11000000.00 25600000.00 28600000.00 18000000.00 17200000.00 16000000.00 15700000.00 20100000.00 17900000.00 16600000.00 14100000.00 7560000.00 17400000.00 10100000.00 18000000.00 18000000.00 8420000.00 15400000.00 6540000.00 7770000.00 14600000.00 13300000.00 13300000.00 15800000.00 18900000.00 12700000.00 Heptanoic acid 55500.00 57400.00 43900.00 90400.00 99500.00 68700.00 60500.00 37600.00 78200.00 37700.00 54200.00 114000.00 68300.00 65800.00 49200.00 48400.00 92400.00 58800.00 74800.00 76100.00 57200.00 64400.00 66900.00 285000.00 98000.00 75400.00 83300.00 63700.00 72000.00 62900.00 49600.00 60300.00 75300.00 82000.00 71400.00 146000.00 47300.00 47100.00 69900.00 51700.00 65400.00 142000.00 68400.00 70500.00 116000.00 90200.00 80500.00 60300.00 58300.00 45200.00 74800.00 40600.00 104000.00 62800.00 81700.00 68800.00 Octanoic acid (caprylate) 40400.00 43300.00 59600.00 49100.00 69100.00 34500.00 59800.00 31500.00 57800.00 35600.00 54200.00 95300.00 59600.00 84300.00 55300.00 60100.00 71000.00 53900.00 46500.00 66800.00 79100.00 44800.00 111000.00 485000.00 85400.00 54300.00 67800.00 54200.00 71300.00 55000.00 52000.00 49000.00 69500.00 96400.00 68400.00 255000.00 60400.00 39000.00 42200.00 39200.00 41500.00 263000.00 52900.00 52400.00 132000.00 73000.00 62600.00 52400.00 32400.00 56000.00 54600.00 57100.00 56600.00 69800.00 50300.00 40700.00 Nonanoic acid (pelargonate) 42500.00 45400.00 56300.00 34000.00 54600.00 39500.00 35200.00 44000.00 32400.00 40500.00 43600.00 37900.00 51400.00 33400.00 43600.00 44900.00 47100.00 47000.00 47400.00 42100.00 49200.00 48600.00 38200.00 35700.00 57900.00 51200.00 35000.00 49900.00 40100.00 52500.00 26100.00 36600.00 58700.00 47100.00 35600.00 48800.00 40600.00 46300.00 38800.00 31600.00 56300.00 25000.00 46200.00 45900.00 28600.00 52500.00 41000.00 38700.00 48800.00 58000.00 37800.00 46800.00 37700.00 46600.00 29000.00 46800.00 Decanoic acid (caprate) 432000.00 454000.00 418000.00 433000.00 458000.00 388000.00 430000.00 461000.00 408000.00 455000.00 418000.00 384000.00 417000.00 394000.00 412000.00 414000.00 419000.00 402000.00 399000.00 391000.00 381000.00 380000.00 423000.00 444000.00 414000.00 393000.00 368000.00 391000.00 333000.00 340000.00 366000.00 369000.00 377000.00 377000.00 395000.00 382000.00 469000.00 367000.00 387000.00 386000.00 342000.00 408000.00 338000.00 402000.00 427000.00 398000.00 361000.00 386000.00 380000.00 385000.00 372000.00 361000.00 382000.00 340000.00 417000.00 351000.00 Tetradecenoic acid 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 508000.00 0.00 474000.00 454000.00 516000.00 493000.00 517000.00 170000.00 465000.00 0.00 566000.00 506000.00 533000.00 510000.00 515000.00 457000.00 495000.00 518000.00 468000.00 465000.00 445000.00 472000.00 448000.00 456000.00 244000.00 533000.00 427000.00 480000.00 434000.00 161000.00 158000.00 161000.00 465000.00 140000.00 475000.00 423000.00 279000.00 468000.00 183000.00 0.00 263000.00 354000.00 437000.00 0.00 350000.00 496000.00 Icosatetraenoic acid 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85200.00 65300.00 308000.00 86300.00 266000.00 300000.00 154000.00 297000.00 539000.00 423000.00 477000.00 93500.00 249000.00 179000.00 91800.00 886000.00 367000.00 482000.00 788000.00 62200.00 264000.00 149000.00 310000.00 251000.00 92900.00 93100.00 113000.00 149000.00 296000.00 76000.00 222000.00 236000.00 326000.00 291000.00 332000.00 121000.00 138000.00 277000.00 159000.00 486000.00 226000.00 187000.00 333000.00 188000.00 446000.00 222000.00 294000.00 341000.00 hydroxy-dodecanedioic acid 231000.00 383000.00 167000.00 416000.00 359000.00 407000.00 279000.00 214000.00 295000.00 105000.00 209000.00 339000.00 342000.00 447000.00 424000.00 463000.00 402000.00 495000.00 338000.00 281000.00 417000.00 243000.00 988000.00 437000.00 369000.00 354000.00 322000.00 497000.00 352000.00 554000.00 251000.00 243000.00 532000.00 380000.00 490000.00 393000.00 195000.00 129000.00 151000.00 225000.00 166000.00 369000.00 189000.00 177000.00 264000.00 158000.00 207000.00 207000.00 173000.00 145000.00 233000.00 241000.00 321000.00 197000.00 305000.00 187000.00 3alpha-7alpha-12alpha-Trihydroxy-5beta-cholanate 57600.00 99600.00 67700.00 94700.00 61200.00 84000.00 58100.00 75000.00 90800.00 75600.00 117000.00 66900.00 88100.00 95000.00 74700.00 113000.00 115000.00 77700.00 87900.00 79500.00 73000.00 23300.00 109000.00 73600.00 70400.00 75400.00 68500.00 63700.00 81000.00 57800.00 72500.00 86600.00 139000.00 66000.00 70500.00 69500.00 78100.00 61300.00 54100.00 52600.00 66000.00 75800.00 60100.00 46100.00 110000.00 72100.00 73600.00 55800.00 74100.00 80300.00 67900.00 52300.00 70300.00 32300.00 111000.00 69700.00 Glycocholate 0.00 496000.00 0.00 0.00 5080000.00 0.00 0.00 9390000.00 7640000.00 1250000.00 3740000.00 24100000.00 8570000.00 13100000.00 19700000.00 2070000.00 3950000.00 1590000.00 4220000.00 6600000.00 3840000.00 10500000.00 1460000.00 2530000.00 30400000.00 2490000.00 1550000.00 8260000.00 5190000.00 30900000.00 14500000.00 3650000.00 6870000.00 9460000.00 12500000.00 1250000.00 938000.00 2060000.00 18200000.00 28900000.00 42900000.00 22700000.00 3430000.00 15200000.00 12200000.00 27600000.00 3110000.00 28300000.00 1830000.00 13200000.00 12200000.00 15300000.00 3750000.00 2470000.00 17000000.00 9830000.00 Taurocholate 0.00 0.00 0.00 0.00 0.00 0.00 832000.00 1810000.00 0.00 4500000.00 2900000.00 2520000.00 3490000.00 3120000.00 3380000.00 2850000.00 3190000.00 3190000.00 4380000.00 2420000.00 1820000.00 2780000.00 2260000.00 4180000.00 5870000.00 2000000.00 3490000.00 2120000.00 3140000.00 5190000.00 3070000.00 3180000.00 991000.00 1970000.00 1910000.00 3650000.00 1640000.00 1390000.00 3710000.00 1190000.00 2570000.00 3120000.00 1910000.00 1010000.00 1620000.00 1990000.00 1810000.00 3290000.00 1690000.00 2140000.00 1480000.00 1820000.00 2140000.00 1720000.00 2280000.00 2420000.00 Glycodeoxycholate 0.00 104000.00 0.00 0.00 0.00 0.00 0.00 0.00 1610000.00 20200.00 338000.00 3860000.00 1200000.00 1690000.00 3670000.00 258000.00 739000.00 126000.00 498000.00 1630000.00 450000.00 775000.00 41200.00 117000.00 6850000.00 462000.00 143000.00 568000.00 363000.00 3640000.00 1240000.00 294000.00 581000.00 488000.00 885000.00 30400.00 38800.00 106000.00 1850000.00 1040000.00 4500000.00 4000000.00 700000.00 2920000.00 2000000.00 2470000.00 221000.00 4990000.00 39500.00 835000.00 1440000.00 1230000.00 482000.00 100000.00 1520000.00 1080000.00 Glycochenodeoxycholate 1610000.00 342000.00 27300.00 2350000.00 1160000.00 2870000.00 1980000.00 1600000.00 1060000.00 50000.00 221000.00 3880000.00 1450000.00 2220000.00 1890000.00 184000.00 520000.00 24300.00 174000.00 447000.00 214000.00 331000.00 0.00 20800.00 1520000.00 210000.00 72900.00 175000.00 282000.00 3870000.00 1820000.00 447000.00 645000.00 178000.00 473000.00 30800.00 62500.00 126000.00 2400000.00 1760000.00 2710000.00 1810000.00 268000.00 1950000.00 891000.00 4140000.00 183000.00 2320000.00 42800.00 567000.00 1820000.00 1640000.00 396000.00 98100.00 922000.00 937000.00 21-Hydroxypregnenolone 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1320000.00 2590000.00 1730000.00 3160000.00 5110000.00 5660000.00 4070000.00 3920000.00 3130000.00 3970000.00 3120000.00 1310000.00 1730000.00 778000.00 1250000.00 524000.00 6000000.00 1010000.00 3550000.00 3050000.00 5140000.00 4940000.00 2940000.00 1560000.00 1890000.00 5010000.00 4060000.00 1270000.00 2080000.00 3580000.00 1780000.00 1790000.00 2150000.00 1180000.00 1570000.00 885000.00 1980000.00 2960000.00 675000.00 2330000.00 2110000.00 944000.00 764000.00 356000.00 1920000.00 716000.00 Pregnenolone 0.00 0.00 0.00 0.00 40600.00 0.00 0.00 25100.00 0.00 17900.00 112000.00 850000.00 252000.00 461000.00 631000.00 397000.00 217000.00 33000.00 196000.00 78300.00 122000.00 362000.00 467000.00 181000.00 107000.00 12500.00 160000.00 88200.00 472000.00 364000.00 314000.00 430000.00 414000.00 154000.00 175000.00 442000.00 370000.00 132000.00 464000.00 468000.00 624000.00 85500.00 39900.00 158000.00 135000.00 319000.00 561000.00 349000.00 403000.00 131000.00 86300.00 280000.00 86400.00 75600.00 251000.00 176000.00 N-(Tetradecanoyl)-ethanolamine 16400.00 4210.00 6120.00 6300.00 5140.00 5480.00 3770.00 13300.00 18800.00 19600.00 32400.00 53900.00 16300.00 41100.00 42900.00 40500.00 40200.00 44000.00 28900.00 29800.00 39700.00 43000.00 83000.00 73500.00 73800.00 65700.00 60500.00 68200.00 89200.00 71900.00 62800.00 31100.00 31500.00 58700.00 60300.00 28700.00 19100.00 34200.00 34100.00 22400.00 49000.00 42000.00 18000.00 49500.00 31400.00 32900.00 28400.00 30600.00 36500.00 37400.00 25300.00 11300.00 44600.00 29000.00 14900.00 15900.00 N-(Pentadecanoyl)-ethanolamine 38700.00 27400.00 0.00 0.00 0.00 45500.00 26800.00 57000.00 29900.00 19400.00 29800.00 89700.00 93600.00 69000.00 75800.00 65200.00 46200.00 68400.00 57800.00 62200.00 60100.00 51300.00 95900.00 87100.00 55700.00 47700.00 79700.00 98500.00 88900.00 99400.00 79000.00 62300.00 106000.00 88400.00 74200.00 58000.00 89200.00 55500.00 71800.00 38000.00 127000.00 128000.00 73500.00 114000.00 84600.00 52700.00 118000.00 84500.00 38700.00 49100.00 39000.00 16900.00 108000.00 44800.00 50600.00 71300.00 N-(9Z-hexadecenoyl)-ethanolamine 243000.00 157000.00 104000.00 231000.00 163000.00 107000.00 98500.00 208000.00 361000.00 465000.00 369000.00 512000.00 483000.00 362000.00 384000.00 232000.00 289000.00 458000.00 287000.00 296000.00 344000.00 257000.00 380000.00 493000.00 464000.00 433000.00 372000.00 492000.00 425000.00 458000.00 426000.00 410000.00 368000.00 414000.00 501000.00 358000.00 419000.00 324000.00 244000.00 300000.00 558000.00 527000.00 288000.00 567000.00 525000.00 315000.00 559000.00 473000.00 596000.00 597000.00 408000.00 275000.00 341000.00 255000.00 331000.00 285000.00 N-(11Z-eicosaenoyl)-ethanolamine 0.00 2560.00 0.00 6350.00 0.00 0.00 3380.00 3410.00 3910.00 6540.00 22000.00 3600.00 4230.00 6030.00 34000.00 17400.00 41100.00 4990.00 13800.00 14700.00 41700.00 14400.00 7010.00 303000.00 7120.00 7570.00 8130.00 4040.00 44900.00 4260.00 24700.00 7970.00 10700.00 45800.00 15200.00 32500.00 3070.00 3880.00 9300.00 24000.00 2050.00 2650.00 4170.00 7650.00 5100.00 3060.00 5350.00 15500.00 5940.00 9170.00 6830.00 7870.00 2860.00 2160.00 12800.00 2910.00 1-octadecanoyl-sn-glycero-3-phosphoethanolamine 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1300000.00 1570000.00 1810000.00 2500000.00 2120000.00 1810000.00 1010000.00 885000.00 1040000.00 1550000.00 1650000.00 2100000.00 1750000.00 1550000.00 1540000.00 1510000.00 1740000.00 1310000.00 3190000.00 2420000.00 2160000.00 1520000.00 1930000.00 2030000.00 2210000.00 2240000.00 1970000.00 1700000.00 1480000.00 1580000.00 1240000.00 1670000.00 2140000.00 1960000.00 1270000.00 1900000.00 2210000.00 1350000.00 2490000.00 1670000.00 1900000.00 1160000.00 1610000.00 988000.00 1120000.00 1920000.00 1190000.00 1-hexadecanoyl-sn-glycero-3-phosphoethanolamine 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 417000.00 0.00 1050000.00 957000.00 1140000.00 622000.00 1470000.00 880000.00 1010000.00 314000.00 732000.00 769000.00 928000.00 1060000.00 1150000.00 1070000.00 1300000.00 998000.00 2050000.00 1920000.00 1790000.00 1970000.00 1380000.00 1390000.00 1460000.00 1380000.00 1450000.00 1060000.00 1060000.00 906000.00 752000.00 627000.00 1430000.00 442000.00 707000.00 1040000.00 1180000.00 882000.00 955000.00 331000.00 824000.00 708000.00 983000.00 422000.00 420000.00 0.00 558000.00 738000.00 1-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4000000.00 10500000.00 14200000.00 5480000.00 11000000.00 7740000.00 7530000.00 3960000.00 7640000.00 0.00 10700000.00 7760000.00 9370000.00 8250000.00 8080000.00 7200000.00 7170000.00 8610000.00 8110000.00 6850000.00 7190000.00 9690000.00 10400000.00 8950000.00 9480000.00 6090000.00 9750000.00 11300000.00 9480000.00 8280000.00 9130000.00 4820000.00 8450000.00 4890000.00 9150000.00 9690000.00 8250000.00 10900000.00 0.00 7500000.00 3550000.00 4750000.00 9300000.00 3770000.00 11700000.00 8290000.00 2-tetradecanoyl-sn-glycero-3-phosphocholine 0.00 249000.00 0.00 153000.00 0.00 165000.00 187000.00 182000.00 354000.00 414000.00 700000.00 546000.00 585000.00 561000.00 578000.00 590000.00 490000.00 532000.00 556000.00 463000.00 413000.00 676000.00 977000.00 853000.00 863000.00 780000.00 1770000.00 1580000.00 1900000.00 1810000.00 1060000.00 914000.00 1130000.00 1120000.00 1210000.00 505000.00 542000.00 540000.00 491000.00 553000.00 433000.00 362000.00 450000.00 517000.00 679000.00 483000.00 399000.00 480000.00 388000.00 381000.00 492000.00 273000.00 367000.00 280000.00 298000.00 470000.00 2-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5530000.00 12400000.00 6160000.00 20100000.00 17100000.00 19300000.00 9160000.00 14200000.00 11500000.00 11500000.00 16100000.00 23400000.00 11000000.00 11200000.00 11500000.00 8480000.00 7230000.00 13700000.00 18600000.00 14300000.00 11000000.00 14300000.00 16200000.00 15400000.00 14300000.00 14000000.00 14300000.00 10800000.00 11400000.00 12800000.00 13900000.00 12000000.00 4460000.00 12700000.00 8530000.00 15300000.00 12800000.00 14800000.00 13000000.00 10800000.00 10900000.00 11900000.00 9450000.00 13500000.00 6740000.00 15500000.00 12100000.00 Triacanthine 199000000.00 288000000.00 235000000.00 161000000.00 234000000.00 138000000.00 233000000.00 230000000.00 219000000.00 237000000.00 210000000.00 192000000.00 209000000.00 207000000.00 215000000.00 253000000.00 329000000.00 290000000.00 242000000.00 210000000.00 191000000.00 141000000.00 113000000.00 97000000.00 67500000.00 84200000.00 120000000.00 150000000.00 134000000.00 190000000.00 77400000.00 273000000.00 121000000.00 52500000.00 171000000.00 189000000.00 101000000.00 157000000.00 182000000.00 0.00 160000000.00 159000000.00 165000000.00 0.00 54200000.00 54100000.00 142000000.00 26700000.00 0.00 143000000.00 92000000.00 172000000.00 72000000.00 0.00 64200000.00 114000000.00 N5-Methyl-L-glutamine 730000.00 283000.00 414000.00 628000.00 325000.00 371000.00 329000.00 426000.00 437000.00 532000.00 291000.00 342000.00 256000.00 469000.00 354000.00 460000.00 468000.00 415000.00 321000.00 472000.00 305000.00 892000.00 1130000.00 763000.00 669000.00 1200000.00 686000.00 311000.00 490000.00 720000.00 660000.00 672000.00 439000.00 488000.00 471000.00 593000.00 551000.00 415000.00 347000.00 507000.00 469000.00 646000.00 453000.00 549000.00 457000.00 437000.00 559000.00 727000.00 915000.00 328000.00 291000.00 570000.00 409000.00 296000.00 602000.00 556000.00 2-Methyleneglutarate 4060000.00 2710000.00 1920000.00 2580000.00 2710000.00 3080000.00 3230000.00 2580000.00 2730000.00 2380000.00 2100000.00 3070000.00 2690000.00 2930000.00 3970000.00 2910000.00 3700000.00 2430000.00 2340000.00 2450000.00 1620000.00 2690000.00 2830000.00 3190000.00 2360000.00 1790000.00 1790000.00 1670000.00 2090000.00 2430000.00 3270000.00 2410000.00 2040000.00 3180000.00 3780000.00 2500000.00 2030000.00 2990000.00 2640000.00 3280000.00 3460000.00 2610000.00 2930000.00 3360000.00 3270000.00 4130000.00 3000000.00 2580000.00 2510000.00 4460000.00 4040000.00 4400000.00 3510000.00 2560000.00 2850000.00 3470000.00 4-Aminobenzoate 16900000.00 16600000.00 16600000.00 18200000.00 15700000.00 14600000.00 17800000.00 15700000.00 15300000.00 16000000.00 24800000.00 16500000.00 21400000.00 21400000.00 21000000.00 37100000.00 21000000.00 35300000.00 32500000.00 35000000.00 29700000.00 34600000.00 38700000.00 26900000.00 40400000.00 48900000.00 37100000.00 46800000.00 45500000.00 28200000.00 18500000.00 21400000.00 21200000.00 29600000.00 18300000.00 20900000.00 29700000.00 28300000.00 13500000.00 18700000.00 16100000.00 15200000.00 18900000.00 13700000.00 22900000.00 32200000.00 17200000.00 19700000.00 17600000.00 16100000.00 13800000.00 20500000.00 14900000.00 16000000.00 15100000.00 15400000.00 cis-p-Coumarate 10800000.00 10200000.00 7030000.00 7980000.00 7610000.00 9170000.00 9810000.00 11300000.00 12900000.00 8330000.00 10900000.00 11100000.00 11400000.00 9390000.00 10600000.00 8880000.00 7790000.00 9080000.00 7050000.00 8140000.00 8320000.00 9430000.00 10200000.00 10500000.00 11100000.00 9270000.00 7660000.00 9760000.00 9240000.00 9830000.00 10700000.00 8310000.00 10900000.00 8180000.00 9670000.00 9760000.00 7120000.00 8870000.00 7310000.00 11300000.00 10100000.00 12100000.00 9220000.00 10800000.00 11500000.00 9000000.00 8040000.00 11500000.00 9470000.00 11500000.00 11100000.00 8760000.00 9520000.00 7970000.00 10000000.00 9170000.00 N-Acyl-D-mannosaminolactone 62300.00 69900.00 53700.00 152000.00 130000.00 209000.00 168000.00 90500.00 139000.00 33100.00 57300.00 122000.00 128000.00 147000.00 94300.00 54100.00 206000.00 35400.00 125000.00 195000.00 80900.00 23800.00 60200.00 81200.00 146000.00 57500.00 90600.00 45400.00 99700.00 104000.00 114000.00 94200.00 161000.00 209000.00 249000.00 62900.00 75800.00 163000.00 71000.00 204000.00 281000.00 175000.00 262000.00 294000.00 168000.00 321000.00 68800.00 43800.00 136000.00 285000.00 289000.00 118000.00 216000.00 49000.00 151000.00 255000.00 N6-Methyl-L-lysine 210000.00 259000.00 168000.00 162000.00 157000.00 239000.00 143000.00 194000.00 177000.00 254000.00 220000.00 326000.00 237000.00 273000.00 214000.00 665000.00 603000.00 1070000.00 284000.00 384000.00 324000.00 206000.00 433000.00 299000.00 399000.00 358000.00 3120000.00 814000.00 673000.00 689000.00 381000.00 1750000.00 1540000.00 1310000.00 2240000.00 962000.00 1750000.00 556000.00 457000.00 675000.00 511000.00 579000.00 630000.00 561000.00 793000.00 508000.00 451000.00 543000.00 897000.00 611000.00 714000.00 799000.00 717000.00 445000.00 620000.00 345000.00 Dethiobiotin 307000.00 272000.00 133000.00 43500.00 124000.00 71400.00 289000.00 275000.00 209000.00 286000.00 342000.00 332000.00 211000.00 216000.00 282000.00 392000.00 232000.00 270000.00 306000.00 80100.00 218000.00 259000.00 380000.00 368000.00 163000.00 197000.00 196000.00 163000.00 176000.00 120000.00 143000.00 72100.00 200000.00 166000.00 222000.00 247000.00 189000.00 178000.00 92800.00 127000.00 142000.00 112000.00 176000.00 84100.00 146000.00 132000.00 190000.00 136000.00 146000.00 189000.00 135000.00 253000.00 220000.00 202000.00 172000.00 98900.00 L-2-Aminoadipate 7770000.00 5820000.00 5130000.00 8770000.00 9610000.00 7820000.00 5850000.00 6410000.00 5170000.00 6860000.00 8160000.00 7820000.00 7150000.00 9920000.00 6340000.00 5540000.00 5480000.00 6400000.00 6690000.00 6470000.00 7940000.00 4610000.00 5400000.00 5360000.00 6470000.00 4970000.00 6140000.00 5700000.00 6370000.00 7210000.00 9730000.00 7870000.00 5640000.00 6330000.00 6510000.00 5340000.00 5380000.00 7300000.00 6430000.00 7530000.00 6820000.00 6130000.00 6160000.00 8780000.00 7960000.00 5110000.00 5410000.00 8500000.00 7520000.00 8740000.00 7570000.00 8310000.00 5560000.00 5500000.00 9150000.00 7970000.00 Threonate 18100000.00 15000000.00 7610000.00 6260000.00 12700000.00 13700000.00 23900000.00 9400000.00 10500000.00 8920000.00 10500000.00 13700000.00 11300000.00 10900000.00 9730000.00 18200000.00 11200000.00 7740000.00 12600000.00 3920000.00 13600000.00 14600000.00 20400000.00 8260000.00 9680000.00 4770000.00 4310000.00 12300000.00 4930000.00 8480000.00 14200000.00 6710000.00 5190000.00 6300000.00 8400000.00 11800000.00 6980000.00 10100000.00 16100000.00 23100000.00 18400000.00 14100000.00 15200000.00 11100000.00 15000000.00 7240000.00 17700000.00 8680000.00 20700000.00 14900000.00 20700000.00 21000000.00 35400000.00 15300000.00 11700000.00 17200000.00 Maleamate 2950000.00 2780000.00 3250000.00 3250000.00 2640000.00 3490000.00 5070000.00 4980000.00 6240000.00 3680000.00 4050000.00 4330000.00 5190000.00 5070000.00 3820000.00 5650000.00 4600000.00 4410000.00 3460000.00 3220000.00 2680000.00 2430000.00 4750000.00 3170000.00 3900000.00 4320000.00 4910000.00 3570000.00 2680000.00 3080000.00 2850000.00 3900000.00 3500000.00 3170000.00 2530000.00 3620000.00 3320000.00 3540000.00 3600000.00 3420000.00 3920000.00 6020000.00 3230000.00 4310000.00 3520000.00 2230000.00 4590000.00 3860000.00 3390000.00 3490000.00 3110000.00 3300000.00 3270000.00 3570000.00 2830000.00 3800000.00 S-Ribosyl-L-homocysteine 693000.00 636000.00 681000.00 614000.00 447000.00 593000.00 563000.00 595000.00 627000.00 699000.00 723000.00 632000.00 712000.00 533000.00 724000.00 620000.00 757000.00 647000.00 473000.00 657000.00 503000.00 622000.00 381000.00 208000.00 314000.00 561000.00 339000.00 385000.00 372000.00 275000.00 223000.00 685000.00 332000.00 184000.00 231000.00 331000.00 281000.00 335000.00 350000.00 243000.00 368000.00 445000.00 312000.00 681000.00 436000.00 356000.00 764000.00 447000.00 405000.00 377000.00 541000.00 493000.00 539000.00 367000.00 579000.00 475000.00 Catecholamine 334000.00 376000.00 68200.00 159000.00 152000.00 113000.00 396000.00 261000.00 261000.00 378000.00 352000.00 293000.00 427000.00 315000.00 419000.00 542000.00 512000.00 467000.00 158000.00 92100.00 110000.00 715000.00 847000.00 709000.00 163000.00 172000.00 170000.00 187000.00 134000.00 130000.00 177000.00 130000.00 205000.00 154000.00 132000.00 188000.00 98000.00 164000.00 162000.00 86500.00 177000.00 117000.00 108000.00 100000.00 142000.00 156000.00 165000.00 145000.00 195000.00 144000.00 329000.00 325000.00 244000.00 230000.00 175000.00 218000.00 D-Ribitol 5-phosphate 71000.00 56000.00 52900.00 44200.00 46200.00 57200.00 69600.00 45000.00 49600.00 36300.00 53300.00 38500.00 63500.00 55300.00 48000.00 79600.00 73400.00 66600.00 59700.00 54500.00 57300.00 79300.00 114000.00 80700.00 61300.00 104000.00 53900.00 49000.00 57600.00 53600.00 41200.00 80000.00 52200.00 46600.00 42800.00 36200.00 42600.00 35700.00 51800.00 51600.00 53400.00 44900.00 54400.00 43800.00 52100.00 52300.00 56100.00 63000.00 52300.00 45200.00 80100.00 64100.00 77400.00 63800.00 64300.00 62200.00 Riboflavin 346000.00 447000.00 356000.00 168000.00 129000.00 145000.00 430000.00 476000.00 489000.00 390000.00 400000.00 239000.00 310000.00 212000.00 218000.00 389000.00 430000.00 426000.00 465000.00 393000.00 436000.00 307000.00 404000.00 308000.00 326000.00 262000.00 520000.00 324000.00 337000.00 395000.00 325000.00 271000.00 414000.00 346000.00 272000.00 339000.00 219000.00 247000.00 395000.00 340000.00 181000.00 360000.00 400000.00 460000.00 328000.00 272000.00 294000.00 296000.00 276000.00 334000.00 380000.00 280000.00 281000.00 366000.00 423000.00 361000.00 alpha-N-Peptidyl-L-glutamate 455000.00 553000.00 442000.00 484000.00 391000.00 479000.00 536000.00 474000.00 585000.00 508000.00 571000.00 681000.00 573000.00 682000.00 586000.00 696000.00 729000.00 840000.00 696000.00 554000.00 662000.00 477000.00 521000.00 426000.00 437000.00 524000.00 562000.00 537000.00 518000.00 470000.00 486000.00 525000.00 667000.00 519000.00 459000.00 559000.00 708000.00 368000.00 424000.00 462000.00 467000.00 562000.00 474000.00 455000.00 578000.00 483000.00 570000.00 528000.00 550000.00 565000.00 437000.00 451000.00 428000.00 439000.00 521000.00 417000.00 N-Acetylmethionine 56100.00 70300.00 63900.00 75600.00 52700.00 81700.00 56900.00 87500.00 69700.00 84300.00 75400.00 82900.00 73000.00 77600.00 81100.00 71700.00 65600.00 82000.00 58600.00 71900.00 74300.00 67100.00 83700.00 68300.00 62500.00 74700.00 73000.00 91000.00 85300.00 86400.00 82900.00 119000.00 132000.00 95500.00 99000.00 113000.00 111000.00 91400.00 85900.00 94100.00 94100.00 91800.00 85000.00 97400.00 90500.00 70200.00 92800.00 85100.00 103000.00 93100.00 73000.00 59900.00 71400.00 54100.00 78500.00 86800.00 L-Noradrenaline 98900.00 163000.00 140000.00 94400.00 102000.00 79500.00 139000.00 104000.00 147000.00 155000.00 179000.00 91400.00 141000.00 110000.00 135000.00 156000.00 159000.00 152000.00 257000.00 128000.00 137000.00 117000.00 105000.00 87000.00 60200.00 102000.00 176000.00 120000.00 94900.00 89300.00 78500.00 195000.00 95700.00 54800.00 86700.00 129000.00 202000.00 106000.00 81200.00 92500.00 110000.00 126000.00 99000.00 84900.00 125000.00 158000.00 103000.00 143000.00 68100.00 79300.00 154000.00 122000.00 110000.00 90800.00 123000.00 130000.00 Protein glutamine 657000.00 689000.00 381000.00 491000.00 267000.00 387000.00 471000.00 567000.00 544000.00 679000.00 667000.00 535000.00 598000.00 628000.00 673000.00 621000.00 659000.00 549000.00 427000.00 482000.00 342000.00 847000.00 1260000.00 862000.00 532000.00 474000.00 389000.00 387000.00 294000.00 358000.00 302000.00 411000.00 384000.00 280000.00 299000.00 313000.00 389000.00 274000.00 315000.00 187000.00 420000.00 478000.00 312000.00 390000.00 322000.00 354000.00 440000.00 486000.00 345000.00 330000.00 685000.00 671000.00 742000.00 566000.00 287000.00 348000.00 Hydroxyacetone phosphate 296000.00 284000.00 314000.00 276000.00 332000.00 318000.00 205000.00 292000.00 222000.00 341000.00 354000.00 317000.00 358000.00 338000.00 304000.00 309000.00 293000.00 308000.00 304000.00 348000.00 347000.00 309000.00 285000.00 282000.00 281000.00 323000.00 333000.00 224000.00 295000.00 315000.00 262000.00 375000.00 356000.00 358000.00 373000.00 335000.00 352000.00 295000.00 340000.00 325000.00 333000.00 250000.00 382000.00 360000.00 390000.00 336000.00 373000.00 380000.00 396000.00 377000.00 354000.00 333000.00 315000.00 348000.00 404000.00 355000.00 N-Carbamyl-L-glutamate 89100.00 997000.00 119000.00 104000.00 841000.00 1210000.00 97000.00 1260000.00 138000.00 100000.00 128000.00 111000.00 127000.00 1210000.00 117000.00 128000.00 149000.00 175000.00 133000.00 149000.00 134000.00 120000.00 130000.00 83900.00 106000.00 132000.00 171000.00 154000.00 157000.00 153000.00 147000.00 1820000.00 230000.00 1610000.00 123000.00 165000.00 227000.00 144000.00 119000.00 157000.00 1630000.00 190000.00 136000.00 190000.00 186000.00 139000.00 154000.00 186000.00 1440000.00 151000.00 1140000.00 134000.00 120000.00 132000.00 206000.00 116000.00 2-Oxo-7-methylthioheptanoic acid 57000.00 95000.00 99600.00 66300.00 60400.00 37300.00 80500.00 67300.00 66600.00 69400.00 74200.00 48800.00 38800.00 53800.00 52700.00 27100.00 47800.00 31700.00 22600.00 103000.00 67100.00 45800.00 32800.00 62300.00 32300.00 61200.00 144000.00 85200.00 69700.00 75300.00 50500.00 107000.00 148000.00 50800.00 45500.00 72200.00 131000.00 37500.00 58200.00 32100.00 25200.00 104000.00 48600.00 33600.00 56500.00 59600.00 51900.00 70400.00 64700.00 44500.00 40700.00 80900.00 48900.00 51600.00 60200.00 62500.00 L-Homocitrulline 4970000.00 5440000.00 3870000.00 4560000.00 3960000.00 2960000.00 4150000.00 4990000.00 2940000.00 5320000.00 2840000.00 5030000.00 4010000.00 5590000.00 6960000.00 6330000.00 6330000.00 6490000.00 5330000.00 7190000.00 9940000.00 6770000.00 9730000.00 15600000.00 5300000.00 6730000.00 6640000.00 5890000.00 5290000.00 9040000.00 5290000.00 10300000.00 13800000.00 6130000.00 4780000.00 3980000.00 2580000.00 5490000.00 3910000.00 2930000.00 2140000.00 1890000.00 2090000.00 2150000.00 2630000.00 4730000.00 2590000.00 3980000.00 2400000.00 2470000.00 4320000.00 4700000.00 3410000.00 3850000.00 4280000.00 5340000.00 Homomethionine 220000.00 194000.00 53800.00 228000.00 196000.00 201000.00 120000.00 173000.00 154000.00 233000.00 177000.00 239000.00 236000.00 218000.00 138000.00 235000.00 132000.00 163000.00 262000.00 199000.00 325000.00 187000.00 306000.00 128000.00 378000.00 382000.00 102000.00 55900.00 238000.00 142000.00 227000.00 250000.00 283000.00 166000.00 168000.00 377000.00 243000.00 140000.00 84300.00 131000.00 296000.00 274000.00 148000.00 318000.00 139000.00 154000.00 234000.00 193000.00 319000.00 349000.00 64600.00 247000.00 72600.00 31600.00 196000.00 149000.00 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index quantified m/z PubChem ID KEGG ID alanine C00041 arginine C00062 asparagine C00152 aspartate C00049 cysteine C00097 glutamate C00025 glutamine C00064 glycine C00037 histidine C00135 leucine C00123 isoleucine C00407 lysine C00047 methionine C00073 phenylalanine C00079 proline C00148 serine C00065 threonine C00188 tryptophan C00078 tyrosine C00082 valine C00183 cystine C00491 kynurenine C00328 AMP C00020 Hypoxanthine C00262 Xanthine C00385 Guanine C00242 Allantoate C00499 (S)(+)-Allantoin C02350 5-Hydroxyisourate C11821 Adenylyl sulfate C00224 5--Phosphoribosyl-N-formylglycinamide C04376 Cytidine C00475 2--3--Cyclic CMP C02354 Pyridoxal C00250 Pyridoxamine phosphate C00647 Nicotinamide C00153 Adenine C00147 Adenosine C00212 Guanosine C00387 Inosine C00294 Uracil C00106 NAD+ C00003 NADH C00004 Glutathione C00051 Glutathione disulfide C00127 5-Oxoproline C01879 S-Glutathionyl-L-cysteine C05526 gamma-L-Glutamyl-L-cysteine C00669 gamma-Glutamyl-Se-methylselenocysteine C05695 gamma-L-Glutamyl-D-alanine C03738 gamma-Glutamyl-gamma-aminobutyrate C15767 (5-L-Glutamyl)-peptide C03193 (5-L-Glutamyl)-L-glutamine C05283 5-L-Glutamyl-taurine C05844 L-Homocysteine C00155 Cystathionine C00542 N-N-Dimethylglycine C01026 D-O-Phosphoserine C02532 S-Adenosyl-L-homocysteine C00021 S-Adenosyl-L-methionine C00019 Sarcosine C00213 Folate C00504 Tetrahydrofolate C00101 10-Formyltetrahydrofolate C00234 Dihydrofolate C00415 5-10-Methenyltetrahydrofolate C00445 Ornithine C01602 L-Citrulline C00327 N-(L-Arginino)succinate C03406 Urate C00366 Putrescine C00134 Spermidine C00315 Spermine C00750 N-Acetylneuraminate C00270 alpha-D-Glucosamine 1-phosphate C06156 D-Glucosamine C00329 L-Arabinose C00259 1-4-beta-D-Xylan C02352 gamma-L-Glutamylputrescine C15699 Homocarnosine C00884 Phosphocreatine C02305 Creatine C00300 Creatinine C00791 4-Acetamidobutanoate C02946 N-Acetyl-L-citrulline C15532 N-Acetylornithine C00437 N-Succinyl-L-citrulline C18048 Guanidinoacetate C00581 trans-4-Hydroxy-L-proline C01157 Pantothenol C00864 Taurine C00245 Hypotaurine C00519 L-Selenomethionine C05335 L-Methionine S-oxide C02989 Cys-Gly C01419 5-Hydroxyindoleacetate C05635 3-Methyleneoxindole C02796 Indole C00463 Ectoine C06231 L-Carnitine C00318 O-Propanoylcarnitine C03017 O-Butanoylcarnitine C02862 Heptanoic acid C17714 Octanoic acid (caprylate) C06423 Nonanoic acid (pelargonate) C01601 Decanoic acid (caprate) C01571 Tetradecenoic acid C08322 Icosatetraenoic acid C00219 hydroxy-dodecanedioic acid 3alpha-7alpha-12alpha-Trihydroxy-5beta-cholanate C00695 Glycocholate C01921 Taurocholate C05122 Glycodeoxycholate C05464 Glycochenodeoxycholate C05466 21-Hydroxypregnenolone C05485 Pregnenolone C01953 N-(Tetradecanoyl)-ethanolamine N-(Pentadecanoyl)-ethanolamine N-(9Z-hexadecenoyl)-ethanolamine N-(11Z-eicosaenoyl)-ethanolamine 1-octadecanoyl-sn-glycero-3-phosphoethanolamine 1-hexadecanoyl-sn-glycero-3-phosphoethanolamine 1-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine 2-tetradecanoyl-sn-glycero-3-phosphocholine 2-(5Z_8Z_11Z_14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine Triacanthine C08435 N5-Methyl-L-glutamine C03153 2-Methyleneglutarate C02930 4-Aminobenzoate C00568 cis-p-Coumarate C06738 N-Acyl-D-mannosaminolactone C03792 N6-Methyl-L-lysine C02728 Dethiobiotin C01909 L-2-Aminoadipate C00956 Threonate C01620 Maleamate C01596 S-Ribosyl-L-homocysteine C03539 Catecholamine C02012 D-Ribitol 5-phosphate C01068 Riboflavin C00255 alpha-N-Peptidyl-L-glutamate C03904 N-Acetylmethionine C02712 L-Noradrenaline C00547 Protein glutamine C02583 Hydroxyacetone phosphate C03505 N-Carbamyl-L-glutamate C05829 2-Oxo-7-methylthioheptanoic acid C17220 L-Homocitrulline C02427 Homomethionine C17213 METABOLITES_END #END