#METABOLOMICS WORKBENCH zys1986062186_20240710_200014 DATATRACK_ID:4997 STUDY_ID:ST003349 ANALYSIS_ID:AN005485 PROJECT_ID:PR002083 VERSION 1 CREATED_ON July 23, 2024, 12:55 pm #PROJECT PR:PROJECT_TITLE Data accqusition for targeted metabolomics PR:PROJECT_SUMMARY To obtain the metabolic alterations during endurance exercise, we performed a PR:PROJECT_SUMMARY metabolomics study that enrolled 19 race-walking athletes using untargeted and PR:PROJECT_SUMMARY targeted approaches. In total, 859 metabolites and 411 lipids were identified in PR:PROJECT_SUMMARY the untargeted methods, and 465 metabolites were quantified from targeted PR:PROJECT_SUMMARY methods. This extensive dataset offers a valuable resource for understanding the PR:PROJECT_SUMMARY systemic metabolic changes induced by race walking and assists researchers in PR:PROJECT_SUMMARY identifying biomarkers of athletic performance. PR:INSTITUTE The First Affiliated Hospital of Dalian Medical University PR:LAST_NAME Zhang PR:FIRST_NAME Yunshu PR:ADDRESS No.222 Zhongshan Road, Xigang District, Dalian City, Liaoning Province, Dalian, PR:ADDRESS Xigang District, Dalian City, Liaoning Province, 116000, China PR:EMAIL zys196062186@163.com PR:PHONE 041193635863 #STUDY ST:STUDY_TITLE Targeted metabolomics of human race walking ST:STUDY_SUMMARY To obtain the metabolic alterations during endurance exercise, we performed a ST:STUDY_SUMMARY metabolomics study that enrolled 19 race-walking athletes using untargeted and ST:STUDY_SUMMARY targeted approaches. In total, 859 metabolites and 411 lipids were identified in ST:STUDY_SUMMARY the untargeted methods, and 465 metabolites were quantified from targeted ST:STUDY_SUMMARY methods. This extensive dataset offers a valuable resource for understanding the ST:STUDY_SUMMARY systemic metabolic changes induced by race walking and assists researchers in ST:STUDY_SUMMARY identifying biomarkers of athletic performance. ST:INSTITUTE The First Affiliated Hospital of Dalian Medical University ST:LAST_NAME Zhang ST:FIRST_NAME yunshu ST:ADDRESS No.222 Zhongshan Road, Xigang District, Dalian City, Liaoning Province ST:EMAIL zys1986062186@163.com ST:PHONE 0411-83635863 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 79_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 79_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 79_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 79_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 81_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 81_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 81_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 81_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 83_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 83_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 83_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 83_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 84_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 84_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 84_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 84_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 85_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 85_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 85_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 85_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 86_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 86_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 86_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 86_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 87_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 87_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 87_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 87_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 88_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 88_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 88_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 88_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 89_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 89_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 89_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 89_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 90_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 90_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 90_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 90_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 91_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 91_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 91_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 91_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 92_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 92_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 92_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 92_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 93_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 93_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 93_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 93_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 94_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 94_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 94_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 94_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 95_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 95_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 95_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 95_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 96_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 96_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 96_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 96_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 97_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 97_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 97_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 97_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 98_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 98_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 98_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 98_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 99_1 Sample source:blood | collection time:rest RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 99_2 Sample source:blood | collection time:stat RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 99_3 Sample source:blood | collection time:rec3 RAW_FILE_NAME(Raw file name)=targeted-walk.zip SUBJECT_SAMPLE_FACTORS - 99_4 Sample source:blood | collection time:rec22 RAW_FILE_NAME(Raw file name)=targeted-walk.zip #COLLECTION CO:COLLECTION_SUMMARY Sera were collected from 20 male student-athletes with the informed consent of CO:COLLECTION_SUMMARY every participants, and the study was approved by the ethics committee of CO:COLLECTION_SUMMARY Shenyang sport university (No.2022-6-30-01). Samples were collected at four CO:COLLECTION_SUMMARY different time points. The first point was fast samples collected before the CO:COLLECTION_SUMMARY race walk at 8:20 am (name as REST). The second point was collected at CO:COLLECTION_SUMMARY immediately after the race walk exercise at 10:30 am (name as STAT). The third CO:COLLECTION_SUMMARY point was collected at the 3-hour recovery period after the exercise at 13: 30 CO:COLLECTION_SUMMARY pm (named as REC3). The fourth point was fast samples collected at 22 h CO:COLLECTION_SUMMARY post-exercise on day 2 at 8:20 am (named as REC22). Blood were collected in CO:COLLECTION_SUMMARY plastic Vacutainer blood tubes, allowed to clot for 40 minutes, and then CO:COLLECTION_SUMMARY centrifuged at 13000 g for 10 minutes. The sera were frozen in dry ice CO:COLLECTION_SUMMARY immediately after collection and then stored at − 80°C untill analysis. CO:SAMPLE_TYPE Blood (serum) #TREATMENT TR:TREATMENT_SUMMARY There is no treatment. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The aliquots were thawed at 4 °C for 60 minutes and then gently blown with a SP:SAMPLEPREP_SUMMARY pipetting gun to allow uniform distribution of the sample. Then, 120μL of serum SP:SAMPLEPREP_SUMMARY was transferred to a 2 mL EP tube (Aixgen USA), and 480 μL of methanol was SP:SAMPLEPREP_SUMMARY added. The samples were vortexed for 5 min then allowed to stand for 10 min at SP:SAMPLEPREP_SUMMARY room temperature and centrifuged at 13000 g at 4 °C (Thermo Scientific, USA) SP:SAMPLEPREP_SUMMARY for 10 minutes. The upper extracts were transferred to a 1.5ml tube and SP:SAMPLEPREP_SUMMARY lyophilized for 3 hours in a vacuum freeze dryer (Labconco Corporation, USA) and SP:SAMPLEPREP_SUMMARY then stored at 4 °C until injection. Prior to analysis, the extracts were SP:SAMPLEPREP_SUMMARY redissolved in 500 μl acetonitril-water (1:3,v/v). Quality control (QC) samples SP:SAMPLEPREP_SUMMARY were prepared by mixing equal amounts of samples. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Solvent A: 90% aqueous acetonitrile Solvent B: 50% aqueous acetonitrile CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Shimadzu Nexera X2 CH:COLUMN_NAME Waters ACQUITY UPLC BEH Amide (100 x 2.1mm,1.7um) CH:SOLVENT_A 90% acetonitrile/10% water CH:SOLVENT_B 50% acetonitrile/50% water CH:FLOW_GRADIENT 0% B to 70% B, the elution time was 15 min CH:FLOW_RATE 0.3 mL/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5500 QTrap MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Polarity switching for MS was used. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS ng/mL MS_METABOLITE_DATA_START Samples 79_1 81_1 83_1 84_1 85_1 86_1 87_1 88_1 89_1 90_1 91_1 92_1 93_1 94_1 95_1 96_1 97_1 98_1 99_1 79_2 81_2 83_2 84_2 85_2 86_2 87_2 88_2 89_2 90_2 91_2 92_2 93_2 94_2 95_2 96_2 97_2 98_2 99_2 79_3 81_3 83_3 84_3 85_3 86_3 87_3 88_3 89_3 90_3 91_3 92_3 93_3 94_3 95_3 96_3 97_3 98_3 99_3 79_4 81_4 83_4 84_4 85_4 86_4 87_4 88_4 89_4 90_4 91_4 92_4 93_4 94_4 95_4 96_4 97_4 98_4 99_4 Factors Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:rest Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:stat Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec3 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Sample source:blood | collection time:rec22 Glycine 208649.88 184743.6 199446.5 235739.09 192919.78 179362.88 191570.8 162064.75 255057.38 226678.51 235500.93 163369.62 214534.3 170870.3 204115.74 167055.91 131114.58 233520.97 223191.65 194592.56 196937.95 153375.08 193579.87 156340.68 154723.39 165891.29 175882.87 253843.26 205127.63 241371.6 143217.12 225863.33 145446.87 184307.78 160245.09 129850.47 209670.8 182125.64 233091.7 229827.49 136523.87 268870.75 174956.05 191650.87 220220.58 163956.31 274768.61 222999.85 258457.36 166981.21 233669.98 148889.94 170726.18 159618.03 173245.76 236605.89 176614.12 177427.41 205756.01 205352.58 269753.18 215544.57 195995.69 152637.08 186847.28 219517 270817.29 238813.49 140125.09 247263.42 139237.36 194787.84 157663.06 173834.04 189111.11 184653.52 Alanine 455732.49 422352.87 445047.86 402048.19 414644.75 395305.05 549969.6 460410.34 339457.16 315614.13 470239.82 476164.34 348517.55 438163.05 518058.96 419720.45 367278.23 409721.77 382457.09 516547.34 542361.56 360087.92 427724.06 357389.05 397866.02 424940.33 488289.73 343035.96 342298.13 421757.61 432139.09 501173.74 283526.89 416586.69 417996.29 357120.67 408470.13 397821.46 530996.11 488791.74 302538.47 432628.17 375409.8 434517.48 532672.15 473685.54 375487.97 314367.96 423326.95 366713.82 409439.72 345033.98 388103.09 391625.49 374827.22 407454.23 342548.81 438522.02 428448.74 392312.12 340651.22 426618.06 474408.44 386973.47 537994.75 435229.38 401837.06 464853.45 327846.84 452208.01 337863.63 472935.66 434581.43 397544.43 328247.29 325057.22 Beta-Alanine 1636.24 2868.19 2041.51 2191.05 2180.24 7215.16 3509.17 4287.45 2517.9 3722.77 2381.36 2757.86 1626.86 2809.1 1516.16 2229.44 2814.51 3111.48 2706.96 2484.34 3419.23 1737.53 4627.19 1261.78 5908.67 4043.29 2104.93 1025.73 2429.46 2663.51 1554.82 3347.03 638.85 3282.26 2409.93 2416.74 2681.48 390.04 993.03 2509.85 788.75 3116.08 836.97 3646.73 2990.4 1364.53 3285.45 3289.89 701.89 4067 4509.45 3308.46 3812.78 2912.42 2007.88 5183.89 1380.53 2552.13 953.11 1665.83 2975.87 230.5 3360.99 1843.3 2080.71 664.37 2405.4 399.84 1547.9 4420.59 982.91 419.12 1429.81 900.1 3699.92 1830.35 Sarcosine 3240.29 2933.72 2196.44 2671.84 2760.95 3432.26 2544.82 2200.26 1751.94 2225.22 2253.25 3054.3 2562.53 2970.24 2523.9 2719.72 3119.34 4939.13 2368.94 3298.12 3150.75 2636.01 3141.36 2570.9 2819.29 2131.08 2535.15 1823.18 1896.65 1928.61 4158.14 3191.55 2006.59 2062.09 2450.3 2502.35 5214.03 2036.5 4271.77 3294.75 2078.5 3798.88 2789.5 3044.59 2961.52 3183.6 1694.58 2428.98 2953.08 3217.57 3479.16 3536.81 2074.35 2923.52 3409.72 4502.08 1852.29 2717.97 2317.42 2009.52 2749.01 2852.49 2728.8 2108.55 3381.21 1925.72 2409.68 2591.06 2767.31 3342.46 2643.05 2674.76 2068.58 2578.55 4057.88 2348.34 Serine 137262.48 134521.18 138859.8 145228.45 186430.07 145774.77 162700.24 125696.96 142318.18 170037.96 133133.11 130580.39 104772.23 147127.24 121552.88 128993.27 118702.91 131258.76 115708.47 126824.39 138815.78 114210.12 165986.45 152437.11 122416.65 148749.67 153474.86 167145.21 122671.99 108628.92 133158.81 134369.36 100300.6 103273.98 129609.51 99373.05 139404.67 127547.6 166667.61 186607.63 94922.04 169751.17 135964.4 124320.8 164615.86 132294.57 113169.96 121101.8 159584.47 122062.65 124813.03 131411.3 124217.95 121636.27 109362.74 119524.52 125459.59 127881.71 141642.52 158718.16 185997.94 139785.85 145938.32 144089 149514.77 146813.25 143317.98 173546.4 126229.48 137615.75 127282.69 133045.17 130375.54 113387.14 136850.59 149204.37 Aspartic acid 12043.83 4720.51 7720.63 6714.15 10228.46 8304.85 7895.85 8179.64 6186.84 7556.98 10270.81 8801.25 10862.26 9152.32 13668.99 7116.11 6803.9 7260.41 6004.47 10150.43 8615.48 7087.29 12137.33 6528.49 13502.46 10892.74 11353.75 8027.66 6540.41 10425.92 12127.87 7739.53 9835.55 9508.65 9826.82 11069.62 8110.04 8046.26 14303.18 7384.29 8543.91 9905.32 8655.77 12706.63 17292.1 10696.25 7757.39 7357.31 9860.16 10691.9 10319.78 12574.68 13295.37 8247.13 8653.34 8334.45 9182.38 9318.78 10531.82 8518.03 9315.37 10725.57 5678.53 8458.84 9256.29 5758.32 7064.9 7434.65 8518.27 8114.76 8314.4 11897.74 4363.46 5126.63 9054.33 6767.26 Asparagine 58613.47 44711.28 64208.95 53509.71 66515.07 55752.01 73454.83 59286.18 52632.51 71384.47 56519.89 53033.12 56093.31 59022.1 49650.33 59534.45 55205.96 52734.73 46915.15 55510.32 45366.37 50419.96 56613.2 50596.25 43865.5 57960 68418.12 57889.05 51756.12 46310.39 46519.89 68708.67 36560.48 39874.24 49154.9 45425.93 53348.81 44361.99 70659.24 74200.24 41961.72 84839.42 61354.65 53639.68 93382.97 73081.64 50436.85 61204 71122.98 50502.93 67016.82 59237.3 46364.01 56974.71 66465.63 52494.23 46564.53 52560.67 49470.76 71546.35 66694.12 53418.29 64904.49 65720.62 74020.17 48411.57 60472.12 74891.28 46842.37 70145.94 55747.41 59525.13 61849.1 54404.28 59069.88 56350.74 Threonine 147283.2 151519.98 155827.16 179096.32 166897.76 156447.83 238041.67 159637.57 159987.38 145655.78 180668.58 180619.43 131556.82 144677.97 147398.6 161273.34 129906.18 152195.55 181011.27 139092.05 152620.36 116693.41 156131.33 129911.53 121687 184956.68 133623.71 163073.32 131485.34 167643.37 168215.08 126846.94 106525.74 109158.24 150183.45 98518.14 136743.45 151476.64 152321.42 174920.61 110191.53 184721.84 152367.09 149585.75 241616.5 142844.34 138001.48 154662.31 179558.03 159363.48 129882.5 133518.38 119085.34 150582.9 127733.78 145161.86 131246.21 128478.37 133002.92 164117.81 166740.73 173497.42 174168.78 204211.6 201147.58 154860.7 173833.21 206218.13 124765.34 144476.25 122804.98 131123.2 155286.1 141305.54 143328.17 172038.37 L-Proline 124731.08 116897.47 152934.1 150949.02 142241.81 161693.06 208675.71 171468.72 108644.75 151714.22 184974.46 178863.18 109770.98 195330.24 173939.46 152104.54 143135 133181.87 187729.37 112403.82 143789.7 118807.45 147984.67 126665.12 143029.93 173436.51 149502.46 141868.76 129822.32 158231.53 177178.76 124342.08 121032.81 155187.54 115865.9 111622.93 148220.3 178304.52 102368.65 162369.93 101485.62 165969.5 128366 137210.69 217806.59 188897.96 113048.24 134284.91 181727.71 144897.67 150935.76 144242.76 149642.26 121594.86 132129.96 140127.75 159523.16 109070 144641.95 137603.36 162137.1 162853.78 171530.71 168527.73 218864.77 130973.49 187646.29 176158.78 119354.33 134318.53 139908.53 192221.53 143737.49 139281.84 137164.29 152826.58 Hydroxyproline 43803.25 28156.49 23150.99 36708.51 32379.5 35373.16 36729.53 24674.92 26752.97 32072.57 33996.3 35102.66 19275.65 35001.25 28341.62 22356.56 30370.55 39721.87 33355.39 38985.05 26378.67 16616.49 35158.93 28629.96 32067.07 32044.37 23739.83 28384.66 30931.91 27997.15 27584.68 18546.03 23823.85 23378.46 17250.79 24308.2 32067.88 24924.16 38508.81 30430.81 14664 42268.99 32536.01 35709.96 44543.1 27440.61 24156.53 33458.92 33218.15 32296.23 21564.01 30699.03 23256.68 20341.7 29919.61 33375.42 25231.99 23818 15805.02 15525.36 51283.15 41947.48 42636.88 27247.46 56710.22 31352.76 54394.66 38509.47 18807.18 25144.26 16245.35 41738.93 15487.69 44340.8 38347.47 26970.4 Glutamic acid 65912.56 51401.81 79085.04 50668.84 70113.06 67114.74 58345.3 53167.57 44316.81 63802.38 55216.3 56974.06 44380.21 73813.17 78668.78 63007.21 56046.51 45919.05 45770.53 135578.54 66738.53 87421.22 72757.72 80637.74 89176.53 81571.47 72832.11 58593.91 78924.23 98915.56 87516.08 60662 74732.23 98971.55 87184.34 50665.18 73989.98 58505.8 101930.72 44514.14 73256.49 55856.76 55755.01 69825.92 73651.39 56383.71 50026.34 70501.87 68356.77 68200.98 64588.8 118623.8 114733.01 95407.82 58737.75 63483.61 75312.76 69279.07 48067.26 73177.16 55587.09 80696.42 70035.03 90223.88 62850.64 62838.55 74780.65 56946.58 60215.74 41476.46 70956.01 75527.74 59237.8 43545.04 46468.02 49897.56 Pyroglutamic acid 33992.96 14550.65 15092.64 12216.04 18058.37 22188.95 15780.21 28810.77 26979.9 16422.05 17407.06 23639.59 14810.66 17567.54 19826.72 16798.73 16897.01 25284.28 31837.73 15416.57 14613.21 13139.53 16817.34 18704.98 17664.08 25101.62 16136.64 25208.96 13946.73 19834.58 20130.43 30279.16 15022.63 14861.44 20562.11 16466.95 27158.63 22538.8 21811.33 21498.12 13877.37 24920.16 11271.86 21177.9 19646.6 13474.92 28293.96 22145.28 19656.64 25086.21 16404.86 14520 18105.44 20703.07 19524.87 26720.56 15024.65 17884.78 19449.44 17666.78 15990.2 12831.53 10242.01 16605.26 14816.87 16803.18 17557.09 18376.59 21852.07 25270 12039.47 13765.5 16206.7 11228.09 22057.8 16908.7 Glutamine 663484.32 542333.95 634363.04 634888.29 679743.47 711703.35 671770.61 631112.51 718845.39 591268.21 636039.68 702968.85 670600.42 674217.28 631349.07 632985.36 632815.81 692376.12 816628.75 557110.13 654761.21 530045.05 630943.07 540522.12 528052.37 513234.06 609511.27 721446.66 645224.38 644374.77 613454.21 754877.35 511049.8 618076.89 603598.78 473608.03 665130.38 724445.07 782698.53 734693.91 554671.84 653342.03 628158.59 547130.65 702945.73 593820.93 700752.06 702090.81 647632.47 664680.93 691414.16 636695.18 507417.82 651678.92 639998.85 679711.45 687340.8 617856.62 701062.6 735234.12 715362.95 677346.23 681004.94 658285.9 650367.31 750106.32 636086.96 738841.5 726856.16 766130.29 569548.72 647094.01 632001.52 734936.14 685577.47 787602.14 Methionine 52825.18 26691.27 54300.06 53982.15 50556.69 45987.82 55353.62 45203.08 39095.06 42061.62 61298.07 51237.38 41153.9 45163.97 51486.22 52603.66 44909.38 36670.57 42047.26 45536.07 44118.81 46887.04 50212.92 40630.07 32644.61 46572.91 41811.18 36891.99 45243.08 44463.66 47762.71 49164.58 29876.63 29619.32 40405.03 34645.2 44532.62 33693.32 60472.29 58833.25 31154.76 60993.21 45840.71 45628.36 72169.91 52937.17 29800.68 57029.38 69176.85 38916.71 43686.05 51437.27 34942.73 39050.03 43758.77 41880.42 32296.71 46650.41 42088.67 53194.79 51174.13 50247.57 56395 53352.15 66865.95 47746.03 53590.8 53633.41 41367.62 46542.28 41587.47 52035.71 44050.84 43731.95 43974.19 44276.98 Valine 296613.73 191639.59 299056.99 305088.33 248960.24 331137.13 276617.82 310285.07 220289.03 232392.08 263703.21 347297.83 268714.35 279893.91 276744.49 320279.14 304902.2 233481.44 237333.48 217071.25 202167.26 230018.6 289777.43 240323.25 260886.82 191930.74 233880.26 205370.19 217068.75 216491.98 319651.34 303268.05 185751.28 218921.53 219956.08 235773.39 229467.95 204244.2 332129.6 260439.46 231736.6 326348.05 234838.55 270915.96 300636.83 267043.83 190042.17 264133.51 303700.55 294614.6 312189 301919.24 232642.21 263825.28 309289.34 248978.6 200601.69 243178.96 214651.32 299772.48 269230.12 285227.04 277199.44 280409.95 328487.41 197501.63 273641.76 297776.74 235987.33 294166 227553.04 263791.76 293943.36 319178.35 358757.76 238702.66 Histamine 30.97 22.26 16.07 14.8 16.4 16.4 12.33 19.02 20.6 13.18 15.29 14.28 13.38 13.45 13.81 13.56 12.24 11.38 15.32 15.01 12.89 13.9 12.93 13.89 12.29 11.83 15.14 13.79 11.59 15.09 14.52 15.27 10.87 12.91 12.8 13.72 12.23 12.15 12.53 12.74 12.12 11.8 12.32 11.94 15.01 21.96 35.31 11.32 13.13 14.91 15.89 25.13 35.08 15.95 12.25 11.63 14.02 12.65 11.94 13.44 9.83 16.68 15.2 12.4 18.05 19.65 15.91 12.03 10.21 14.8 11.75 11.89 10.38 12.68 10.81 11.73 Leucine 201154.81 102788.78 211991.65 189650.88 181006.18 236265.35 183582.41 202057.41 129709.77 149420.86 176105.48 224754.76 162682.15 206297.15 177347.72 234673.73 195751.55 138922.28 161352.58 135345.68 114517.88 130104.44 186548.02 140266.79 154041.88 126197.75 140471.5 127659.95 142702.78 132611.03 185081.68 197548.01 101284.81 130776.68 136514.9 123315.42 127322.64 130509.13 250520.15 210350.96 155360.66 211847.01 153776.14 174008.1 253727.94 175910.77 106941.18 213322.95 219840.95 200716.72 218444.93 234029.26 164818.57 180274.58 199215.49 165310.56 127913.78 166970.31 137807.07 242294.41 187179.06 208958.97 200703.42 228456.25 208471.72 131367.81 186690.22 214495.54 181496.14 210038 171133.85 195252 199814.01 214237.79 218203.35 153752.28 Isoleucine 85764.75 54165.21 100295.39 91122.22 88747.17 109099.55 83294.94 94956.47 57233.95 71412.42 95339.53 109590.6 68299.23 100366.84 89997.89 102395.93 93913.1 65275.85 69948.44 53671.78 51815.72 54102.83 89410.47 71484.22 65374.37 56224.08 59734.14 54873.87 65800.27 63616.07 87248.28 87332.17 48042.22 55904.71 56178.83 58709.28 56155.69 55085.71 148359.97 95543.39 71933.9 115053.53 87515.67 85685.02 121471.32 87991.83 49427.06 110745.5 125089.58 97877.44 93877.5 123923.32 84710.67 84649.66 103546.88 80351.59 54262.44 75770.14 62906.12 112890.04 92291.91 95792.98 90469.25 104464.92 99268.88 60282.45 87230.12 113591.51 80847.98 97609.57 78223.21 92644.46 88068.43 91176.17 108580.57 74695.43 Arginine 29448.13 20003.11 35121.89 37874.14 44321.86 29809.63 39677.57 34097.25 37157.23 39115.44 35158.74 41067.9 25910.71 50748.94 32533.76 29260.71 30472.98 32723.41 36133.1 25249.93 25867.72 24807.14 39218.47 35597.78 22578.8 30589.87 29276.98 36200.64 37775.67 34869.25 36217.66 28782.53 26997.65 29966.44 26597.03 24980.9 30703.98 30591.41 35836.38 25918.94 22032 49328.81 38469.08 27546.95 52373.91 37145.56 33848.68 40790.88 61655.99 33525.07 29188.59 46080.66 30369.35 36081.47 38042.58 32194.6 25967.71 27286.86 29835.85 52438.57 46799.93 41658.03 34907.72 37569.24 41692.04 41751.69 39768.6 39465.6 26816.41 30907.92 29328.11 38457.27 32110.15 30139.81 27409.34 30940.06 Homo-L-Arg 1181.09 849.93 911.55 690.75 1821.07 686.12 1350.25 1661.82 1028.52 689.53 549.79 1122.94 787.83 598.99 1056.8 749.17 842.31 1112.71 1367.66 966.1 1030.44 757.26 681.03 2051.02 1064.18 1616.3 909.12 1180.07 772.92 690.57 1183.66 1105.09 466.48 852.69 911.65 1340.08 1165.36 1123.1 1375.95 3.77 774.21 1050.48 1461.7 920.87 1180.48 828.02 966.57 1144.28 914.47 1599.67 569.77 528.56 979.01 933.01 983.33 1307.83 1004.84 830.13 1314.56 1157.39 689.61 1499.15 754.47 1298.74 1013.42 718.18 664.52 798.58 997.49 1067.9 562.76 679.08 882.04 912.92 1297.7 717.34 Lysine 281099.27 182726.11 351365.28 328173.5 335450.86 276608.5 330160.53 296593.82 225028.06 247264.01 288800 374905.62 269274.61 384124.37 310326.99 321230.51 269643.27 223236.59 273671.03 223804.63 217167.5 227776.52 300763.22 338673.67 188735.51 220661.17 259920.47 244978.56 257352.32 238481.93 339922.2 247284.44 213606.22 232660.96 249495.88 175096.86 192363.49 193964.31 367845.78 325303.46 228683.01 355411.69 296549.68 241129.49 441858.36 269740.21 203027.59 269383.42 516608.42 289594.78 269677.68 341107.84 223988.45 349072.49 299667.15 213105.66 203434.39 252824.66 192302.25 686837.99 312112.43 279416.89 357314.04 349974 326814.22 248226.9 287656.06 341105.03 302133.51 280566.05 231939.42 310953.78 306863.34 326582.36 226333.34 232226.21 Tyrosine 109943.43 54982.35 111215.36 97866.37 86912.2 86887.15 112371.41 96245.85 68570.74 85964.86 96104.78 103765.98 67074.94 111010.56 104879.53 104527.06 83202.6 79472.46 83509.81 117771.21 72281.51 99680.55 115445.81 97808.24 86773.61 97357.42 91859.34 73665.31 103386.86 92618.69 106486.3 92557.16 86514.18 88124.44 92116.03 82017.02 87795.55 98380.88 131737.34 85270.74 78476.69 103529.66 78460.45 79747.06 109803.12 98393.63 62538.96 107264.55 99180.09 79562.74 83290.14 98408.97 87181.19 82507.52 2728248.11 79982.45 73583.15 97122.44 68951.88 101573.08 99366.77 98936.4 106533.5 114751.72 98359.99 70188.08 97828.61 92260.75 76481.9 89978 95886.06 104717.05 98244.03 91514.29 80175.23 80573.39 Phenylalanine 109955.92 53068.69 86796.2 87064.97 81199.97 86729.06 69273.23 81917.89 63038.02 67246.66 81333.35 93805.43 72262.11 87584.8 73356.47 82836.86 80268.91 70932.91 78193.45 134563.05 79569.06 76553.11 86547.92 67781.38 81769.67 57408.4 83510.63 65538.36 72641.75 76671.45 83291.2 96496.62 63529.26 62950.82 78426.18 72702.19 81568.53 78369.75 145534.39 83560.74 66115.31 95422.96 75709.54 89423.91 84967.31 77570.6 57715.01 81645.26 96763.68 72405.09 94348.2 87242.91 68198.34 85891.39 80658.01 80243.67 80239.58 104158.12 76828.91 86573.2 83098.31 80213.64 89389.3 90393.69 87126.36 83783.39 84580.83 88176.8 84717.43 84608.01 83299.98 99881.4 85087.49 90260.37 88744.98 75802.39 Tryptophan 89877.62 63630.51 85728.29 69812.66 76130.11 88173.82 85318.77 88733.23 60176.89 72962.71 76867.33 98890.9 83480.81 71429.42 82125.25 98122.36 86359.1 89619.98 76710.92 95107.86 95420.2 81392.83 70357.54 64452.79 81313.74 77508.45 78641.3 75100.61 86880.7 73053.25 100939.24 104588.35 58861.98 70698.02 76592.32 85841.65 98659.37 85953.98 99895.16 79388.09 56919.31 71807.05 67116.63 86254.35 90615.65 80319.82 52645.36 81367.61 84929.82 77291.31 76604.39 76259.26 76515.78 71823.04 91006.15 89120.26 81391.56 77229.66 65659.41 81584.88 63915.67 70742.13 82628.17 83504.52 96407.78 67085.36 79208.53 83099.21 89613.45 84714.83 77099.43 83532.95 79504.05 90343.43 97240.6 80133.26 Kynurenine 2022.12 1391.65 1563.95 2005.95 2036.19 2023.37 2156.9 2696.8 1473.91 1674.32 1517.85 2105.33 2057.59 2101.93 2597.42 1928.26 2154.96 2057.33 2895.81 1962.66 1806.34 1817.47 2073.76 1654.06 2225.73 2098.02 2672.37 1831.22 1990.59 1572.58 2779.35 2267.82 2334.81 2234.6 1890.92 2225.2 2095.9 2561.31 2427.51 1527.23 1103.88 2043.12 1665.4 2190.74 1607.94 2718.47 1516.34 1522.28 1638.76 1930.7 2126.9 1970.78 2004 1918.25 1938.2 1972.97 2495.05 1411.85 1560.5 1464.14 2005.71 1990.81 1761.05 1734.53 3146.86 1484.35 1635.06 1651.68 2111.93 2037.59 2055.3 2289.54 1366.14 2276.43 2241.02 2231.85 Taurine 68315.03 85610.78 52890.59 41468.46 37741.34 49748.5 44108.26 50683.06 45613.91 46494.46 47966.77 45455.93 52621.98 38230.53 71717.96 50057.35 45727.74 41094.36 45698.37 126787.1 119217.36 80351.28 51615.03 62639.64 72669.48 62428.3 77840.34 56567.24 59347.32 83735.53 85747.91 68282.61 48296.16 86704.98 68005.8 47342.38 61455.59 57141.73 84877.61 74643.81 64585.66 48063.79 36298.88 50810.7 52041.69 57478.98 47981.05 55187.89 56882.46 65665.6 72547.98 58636.03 94743.62 65833.79 54133.37 66548.3 67101.37 49403.43 59400.68 50279.87 40449.94 39700.51 45105.5 44389.99 52545.63 63962.52 51897.37 50933.03 50824.43 48934.41 33991.87 44037.38 40695.2 42496.87 43632.92 47511.48 Hypotaurine 2712.32 1948.24 1628.91 2647.57 2443.25 2087.39 2188.76 1767.48 2702.77 1680.34 1750.72 1810.71 1848.03 1443.25 2530.23 2302.67 1331.94 2470.68 2678.49 3797.88 2389.29 1732.93 2766.61 3683.14 3333.08 2897.97 3006.13 3317.82 2402.6 2647.28 2848.9 2040.56 2038.01 2121.13 2244.14 2103.94 2648.89 2891.36 1941.86 1794.78 1586 3500.31 2743.11 2623.9 1646.57 2045.74 2665.3 1858.6 1553.13 2104.24 2109.99 1902.53 2571.85 1943.97 2213.54 2663.02 3136.66 1762.57 1625.52 1624.89 2526.83 3060.36 2094.71 2251.53 1939.08 2694.17 1796.01 1715.78 1632.91 1758.89 1646.91 1473.37 1241.25 1267.22 2401.73 2108.91 Citrulline 30735.06 18291.08 24223.84 22263.11 18392.84 18378.38 16737.67 22941.79 26181.68 27636.79 37863.44 29455.85 24716.75 26727.48 30402.37 17061.68 23582.6 31708.06 25363.38 32795.84 22456.17 29101.2 28303.12 24452.28 33437.36 20324.08 29938.48 23681.74 40682.62 40571.56 44035.7 33420.25 32451.46 33832.16 26597.82 32065.8 38486.05 29113.73 35251.72 25109.8 23043.6 27593.79 20264.79 23107.86 22518.52 20973.02 26987.67 30676.18 38556.8 31830.74 27628.94 31931.76 33860.23 22200.37 28571.16 26533.13 15263.9 32727.78 25219.03 26946.84 21865 20578.14 21411.26 18021.88 20564.24 23914.24 26089.97 27252.04 25809.59 22582.35 21357.8 22689.2 18215.65 21224.48 21908.89 26160.1 Ornithine 22199.46 21895.96 27819.38 20864.15 18318.66 23459.2 21489.49 18955.04 19823.78 28959.24 33174.45 28421.38 20920.09 35164.19 22114.73 26165.19 23360.58 20440.2 28743.68 22515.4 28308.1 25811.21 24630.75 36204.03 21642.9 19030.57 22047.01 24575.32 35563.54 33246.73 41689.32 22362.73 26412.93 23871.85 26601.35 19969.88 23071.28 28218.58 35351.74 33476.67 24491.69 28322.7 28292.04 22454.14 27536.47 20755.32 23471.92 32023.78 57081.15 29068 23341.02 30365.97 25272.26 32997.9 26364.78 21588.98 23437.11 23881.92 17589.3 48218.23 22814.21 22283.23 23866.52 20118.67 21868.1 22819.57 29038.64 35845.37 21077.01 18213.98 18132.8 21156.4 24287.83 22116.13 19840.44 28282.89 Cystine 47225.57 27080.08 37855.39 35908.06 32965.81 42996.63 34354.66 27670.57 37226.01 42436.68 44872.63 41938.77 48383.24 30881.69 32087.97 40509.58 45873.34 45354.14 34098.91 32519.54 44382.66 35095.34 28734.48 25410.42 33659.5 29047.67 43477.86 48891.38 46061.3 39256.39 52189.41 40651.05 25847.08 38324.79 38142.6 41254.08 50842.7 35908.35 58728.6 41961.44 36248.16 31440.81 29238.71 35974.88 32711.81 35989.59 27171.68 49235.26 38686.33 43641.99 37194.84 22728.34 27614.23 39208.3 33037.26 34143.66 30295.57 39473.11 40442.08 38957.29 40255.65 43771.16 54928.36 35109.16 33402.62 30595.8 40049.61 36248.34 46802.36 38890.48 29905.23 32760.55 43518.8 44084.56 35432.2 30617.95 Creatine 36194.38 28804.91 42440.71 53211.71 54903.97 58029.53 37849.83 38031.45 27494.62 49269.7 23330.91 30148.81 50007.94 20398.42 75781.66 23792.95 67560.4 60076.84 22022.36 55146.05 35000.03 45927.1 78891.53 56555.12 59487.04 35900.55 36089.53 38910.31 61681.41 31847 40979.98 71267.71 16219.79 70025.11 22753.03 65963.91 85440.45 31416.35 47996.45 29816.2 28191.74 78109.64 50129.32 52969.29 43930.32 28807.23 23190.94 55054.63 33740.12 40243.89 79206.65 21126.53 63404.11 29473.54 76563.38 69168.31 28533.91 31529.04 25430.08 27783.07 47614.42 47777.38 40884.39 48197.75 37135.21 27785.97 54150.68 24781.48 23088.1 53404.98 18640.03 89869.99 20016.99 67731.35 80687.48 19315.71 Creatinine 102610.32 78251.02 72076.18 64936.08 68690.95 85523.96 55393.21 77471.01 82830.71 62346.2 82277.26 89292.09 90414.51 74160.56 79045.89 81781.43 63334.57 71933.46 77654.37 142958.07 109015.1 110662.43 86160.8 68076.72 94431.04 58600.83 99825.25 102735.29 80859.22 114698.02 124138.31 122020.29 85896.69 107243.48 105822.69 76530.98 87704.67 108317.75 125486.97 85855.48 78414.26 73086.58 61159.24 87780.99 54301.83 86512.68 90802.3 71013.07 94409.69 105445.56 97107.28 82198.98 86857.95 91688.27 67149.58 83652.62 86822.39 100265.9 76735.62 74894.34 65081.41 54713.44 72623.68 50370.97 68759.65 79417.21 93946.42 93351.71 89682.34 86797.3 76096.75 73001.41 76252.57 64300.57 79957.38 70597.61 Carnosine 35.86 30.72 29.07 30.39 28.29 28.09 28.82 31.82 32.45 31.04 31.55 30.85 33.97 36.09 36.06 29.88 30.21 31.18 29.38 38.37 32.01 29.98 30.72 29.39 33.21 30.4 33.04 33.01 35.84 36.05 30.2 33.86 38.25 39.57 32.99 30.78 33.12 29.95 44.3 30.84 31.78 30.16 29.01 37.18 31.85 37.36 34.41 34.38 32.73 28.96 29.24 34.99 41.46 32.39 32.07 33.9 27.35 29.43 28.73 32.55 27.73 27.38 32.5 27.83 30.58 29.13 27.61 29.52 32.67 28.16 30.24 27.31 26.55 31.53 30.7 26.82 Melatonin 4.3 3.66 4.55 4.14 3.92 4.21 3.81 3.92 4.21 4.01 3.86 4.53 6.22 4.13 3.58 4.13 4.2 4.22 4.21 6.01 4.38 3.95 3.96 4.01 5.73 4.13 4.4 4.33 3.68 3.88 4.17 5.05 4.72 3.91 4.47 4.31 4.41 3.75 4.27 4.36 4.12 3.82 3.96 3.71 4.17 3.98 3.79 4.33 3.79 3.78 4.68 4 3.8 4.35 4.01 4.17 8.62 4.34 4.02 4.58 4.45 4.26 3.92 4 4.51 4.05 4.52 4.2 4.19 4 4.58 3.48 4.2 3.88 3.94 4.36 Serotonin 186.31 140.45 159.47 78.22 138.64 124.01 130.71 155.21 124.09 80.21 114.33 62.31 108.44 146.45 120.88 92.01 140.12 75.84 76.86 952.89 295.53 351.37 160.46 435.79 158.29 343.88 385.46 192.66 133.27 523.73 275.63 141.21 165.03 292.29 166.98 142.97 136.21 90.45 206.35 105.5 201.62 78.92 115.91 109.15 197.81 289.36 152.58 81.41 245.5 154.64 270.15 428.89 353.5 275.69 276.47 293.25 223.46 138.95 131.15 213.09 97.45 220.88 139.93 220.67 243.53 227.09 139.59 155.41 76.73 91.16 121.9 106.6 72.44 122.18 120.15 74.77 Thyroxine 137.09 142.93 66.09 144.77 121.67 144.76 102.5 110.97 92.39 117.34 124.25 153.22 109.42 99.3 89.65 96.62 139.1 129.01 116.14 143.98 141.29 87.68 127.18 107.85 134.7 107.4 110.29 99.99 135.96 139.5 152.25 113.79 84.97 88.05 109.73 123.19 115.48 143.56 165.13 128.69 74.6 102.39 113.12 124.64 83.88 90.47 92.88 113.89 132.33 165.24 109.08 94.21 101.14 97.61 126.83 126.97 141.04 135.68 128.82 67.27 122.99 95.26 141.23 93.56 104.03 103.44 114.89 120.83 177.38 119.36 100.92 108.14 89.78 160.29 118.96 108.98 Ophthalmic acid 39.41 4.72 8.9 18.13 24.87 9.22 21.87 14.57 8.77 3.05 13.54 23.01 22.84 11.49 16.16 16.31 6.55 16.46 21.24 46.84 3.82 10.82 13.46 8.4 6.56 11.57 28.06 8.78 5.4 5.88 9.76 11.07 3.44 12.23 6.44 4.02 6.55 30.46 38.14 14.89 0.515 17.27 10.36 4.7 7.63 14.2 13.61 11.11 13.44 2.03 16.53 4.74 15.71 7.93 1.03 4.34 10.15 22.19 7.5 8.27 36.93 12.24 18.66 15.98 14.61 0.515 4.43 9.87 14.43 18.34 10.44 23.86 6.37 8.47 29.72 8.25 1-Methylhistidine 8699.78 6036.94 5235.7 5030.91 4801.65 6717.5 4269.6 6738.49 5247.11 4213.22 5771.72 8523.77 6001.75 6016.12 7901.08 5907.65 5206.32 5866.81 4878.05 10554.17 6933.78 6177.01 6298.39 4747.28 8772.55 4736.64 7828.34 6301.97 5331.28 6893.1 9994.24 7565.65 6231.73 9949.54 5942.43 5633.07 6524.65 6218.11 12970.56 8555.29 5187.44 8027.86 6308.97 9390.76 6806.79 8100.25 6017.44 7969.59 8325.94 11195.71 8060.1 9152.5 9893.44 7551.57 7763.75 6722.16 5123.85 8856.26 4934.01 4966 4656.09 3817.19 5470.85 4113.55 7503.17 4836.86 3979.72 6743.65 8629.62 5515.46 5723.49 6214.53 5476.05 4840.21 6938.95 4561.61 3-Methylhistidine 11163.59 17462.18 1430.3 6792.44 5620.58 12502.33 5895.12 6547.08 6535.03 2618.52 6820.82 11726.24 2336.58 3537.15 8616.71 3165.89 3661.78 5583.76 4343.49 7739.79 17755.63 999.8 10947.55 3308.32 20127.09 6761.49 2502.33 6773.2 2278.6 7437 9345.88 2812.99 2606.81 6391.34 2557.23 4817.15 4234.52 4088.68 8589.06 9484.43 905.56 9513.76 4331.71 13984.43 3328.48 2917.47 4250.72 2970.96 4576.92 12264.85 1604.4 3013.1 5674.26 2184.76 3009.97 3740.57 2337.56 5728 4889.41 2231.27 4849.28 3167.37 8086.77 1002.54 21311.91 1642.01 5329.05 8768.07 2040.52 6991.05 1241.93 6021.75 5857.78 8809.94 25533.11 4062.7 N,N-Dimethylglycine 604.62 2921.92 611.89 736.85 496.23 600.77 388.34 406.73 364.6 313.67 456.66 556 420.26 473.94 368.93 456.96 372.96 300.35 511.01 670.23 3200.31 875.7 841.12 463.69 634.83 346.61 432.4 360.24 350.15 512.16 697.4 517.92 500.17 375.37 470.66 488.01 355.16 493.16 1128.31 3195.88 654.52 1014.02 444.12 525.64 414.89 496.9 279.64 386.7 477.49 619.49 505.26 475.91 368.86 458.52 432.67 379.18 505.45 533.07 2804.63 527.42 731.78 474.92 416.3 335.89 344.89 328.53 260.7 421.75 548.77 399.77 428.54 365.12 429.66 358.18 298.5 439.39 Symmetric dimethylarginine 724.39 369.18 443.52 478.94 626.68 518.2 461.71 526.49 604.76 569.96 410.13 459.59 642.8 532.2 640.04 427 535.49 506.41 458.64 794.09 437.83 500.37 557.33 544.62 726.01 477.26 688.73 872.77 508.93 444.93 517.66 812.47 447 682.44 469 608.76 630.68 580.71 719.47 511.15 397.02 489.94 423.93 552.84 407.4 569.46 588.6 474.76 433.45 474.07 523.32 542.12 644.06 414.74 478.8 478.75 539.05 581.61 487.94 389.87 452 439.6 573.2 426.53 469.78 545.09 344.09 534.22 653.13 663.52 608.36 670.8 426.89 484.66 595.86 497.13 N-Formyl-L-methionine 153.83 129.05 78.52 101.46 205.19 103.91 64.6 107.55 86 98.14 268.8 137.94 115.41 108.06 121.63 64.35 125.55 99.16 93.02 342.84 245.08 155.4 156.32 387.22 130.23 61.69 109.25 135.58 118.12 317.75 181.4 124.47 138.17 133.68 147.59 177.81 175.05 148.43 255.47 170.8 89.81 73.8 93.15 102.23 77.53 129.56 130.7 118.04 276.81 127.01 140.96 179.91 112.16 52.38 95.29 80.55 73.01 167.02 102.25 114.43 123.96 77.45 235.79 79.43 75.76 85.68 72.89 167.75 118.97 128.72 117.71 88.11 105.84 211.36 112.05 67.26 N-Acetyl-L-alanine 2091.65 1236.92 1138.72 1392.94 1332.33 1370.63 1284.77 1355.43 1387.05 1145.6 2433.44 1427.28 1387.72 1370.22 1345.1 1108.61 1317.87 1196.05 1328.25 2917.18 1571.17 1437.7 1635.13 1515.96 1608.64 1310.4 1690.31 1678.27 1464.41 3180.82 1651.37 1725.9 1474.11 1695.82 1413.3 1467.35 1396.44 1652.8 2742.28 1364.59 1188.54 1637.09 1394.17 1318.04 1196.27 1271.1 1433.78 1258.18 2974.27 1277.85 1499.72 1658.18 1485.49 1246.32 1425.61 1238.94 1367.35 2196.32 1313.36 1254.75 1322.57 1297.76 1322.43 1234.85 1450.91 1517.54 1149.83 2522.19 1381.66 1477.48 1375.25 1347.8 1220.52 1427.38 1300.33 1291.13 N-Acetyl-beta-alanine 522.56 254.91 497.03 351.35 546.49 533.7 526.38 274.66 818.71 401.19 395.02 457.82 409.95 725.58 544.26 353.79 755.91 389.69 647.18 577.11 473.53 579.7 422.11 485.28 570.97 768.39 329.35 925.38 394.08 446.59 648.86 639.93 673.82 702.69 494.56 843.98 518.46 572.63 282.22 490.89 270.61 273.04 338.96 445.7 609.59 168.33 786.87 271.36 289.71 318.13 492.36 534.56 569.18 432.94 933.12 313.37 525.11 688.21 404.84 493.01 92.2 412.07 701.23 343.19 573.83 658.11 400.39 370.43 299.03 446.71 501.22 958.54 352.33 659.31 435.87 479.46 N-Acetyaspartic acid 387.67 377.95 399.22 392.83 389.12 382.85 202.99 201.49 364.28 200.94 208.24 393.84 440.79 195.63 315.72 116.24 280.57 308.96 244.87 517.82 636.22 285.45 461.39 298.74 575.53 218.4 330.48 446.05 285.74 463.72 443.37 594.24 502.94 500.48 230.32 405.91 373.18 384.56 353.3 388.61 203.32 338.06 448.36 462.72 366.4 366.1 431.36 247.96 382.43 353.55 547.69 355.63 254.31 231.51 497.4 193 264.05 394.75 358.61 216.14 238.54 177.29 343.46 385.1 372.14 649.9 321.7 367.63 227.78 400.65 238.13 270.33 230.79 419.81 351.17 238.41 N-Acetylthreonine 1056.12 402.99 582.55 536.81 590.48 578.14 532.19 832.62 758.52 462.01 940.63 626.96 713.26 487.83 877.59 479.67 536.58 573.31 766.78 1579.65 741.3 862.99 757.96 620.63 911.52 584.37 1044.41 1035.38 751.72 1430.64 968.2 1123.93 748.92 1034.49 759.35 888.35 797.21 1017.97 3204.79 767.5 700.53 851.02 595.38 686.47 414.79 638.71 857.5 712.49 893.05 828.76 792.75 597.17 843.06 520.63 628.42 644.64 692.51 990.06 623.43 501.84 569.4 769.95 427.62 516.16 688.45 656.11 509.12 922 541.13 804.9 574.45 619.07 524.08 549.42 725.96 601.67 N-Acetyglutamic acid 1059.41 306.11 367.1 344.51 645.34 730.17 360.88 944.73 826.95 669.57 629.64 793.95 452.93 629.85 564.8 516.62 403.1 701.99 864.72 575.23 361.17 423.34 577.6 768.69 618.46 972.71 685.24 809.7 324.42 807.03 730.76 889.14 596.1 440.76 836.34 802.34 614.97 598.74 859.09 746.89 451.66 761.11 270.48 704.54 588.21 287.49 898.35 748.14 792.44 808.58 601.35 341.11 782.61 674.79 721.75 828.85 405.27 619.66 748.67 657.83 590.13 343.88 296.7 326.94 333.23 412.31 554.41 473.92 528.5 733.98 333.04 289.15 338.81 232.38 764.08 397.2 N-Acetyglutamine 28.82 21.64 22.82 9.41 10.57 15.73 16.5 31.59 16.48 13.46 26.33 21.53 14.45 17.33 11.25 16.11 24.67 15.8 24.29 29.55 19.23 35.66 19.31 16.19 25.14 18.89 19.35 19.21 18.82 20.06 15.38 15.89 20.5 21.54 14.51 26.08 17.59 20.39 59.14 10.22 22.19 13.24 22.7 14.99 21.67 14.64 14.81 18.88 20.39 13.94 9.76 15.25 16.1 13.34 12.47 14.88 17.64 23.36 8.46 19.11 11.44 35.24 18.8 16.78 18.39 24.64 5.64 31.3 19.09 13.8 7.93 15.26 12.5 16.31 9.32 22.43 N-Acetymethionine(NAM) 82.02 34.75 27.31 50.15 50.49 45.28 37.4 58.63 45.43 43.35 136.61 55.12 32.1 45.7 44.3 63.43 37.02 40.43 24.32 160.34 58.06 77.01 131.43 69.56 73.59 41.99 94.68 42.21 69.01 233.97 76.93 79.12 47.1 60.66 45.25 73.85 31.94 59.47 129.85 43.87 19.06 77.47 47.37 40.96 38.92 65.79 45.2 49.87 149.08 41.36 55.48 57.09 48.97 32.91 49.33 50.88 39.63 66.95 30.47 37.62 42.85 41.05 34.16 54.43 43.22 46.87 59.47 120.4 28.85 35.16 44.25 64.84 27.07 45.73 21.62 20.57 N-Acetylvaline 174.97 78.59 83.23 77.19 60.6 96.44 57.61 118.64 114.08 103.91 159.51 85.57 64.54 97.82 91.63 75.09 101.5 86.8 89.08 135.86 108.27 122.42 114.09 98.27 115.59 73.07 142.04 118.62 87.06 211.05 137.1 159.66 101.42 113.08 143.74 94.89 106.76 118.91 177.09 95.8 62 103.2 79.76 99.35 66.56 82.15 123.04 93.51 125.08 119.86 111.08 60.82 113.59 90.88 99.59 96.21 64.88 122.4 92.97 72.64 101.66 52.35 58.51 61.76 96.9 81.14 99.99 138.05 92.43 86.22 82.29 80.75 48.22 65.36 111.71 69.36 N-Alpha-acetyllysine 61.06 39.23 43.24 33.02 35.7 50.58 29.07 45.14 33.72 27.86 37.78 47.39 42.69 34.29 40.71 42.34 55.82 43.97 33.9 86.87 59.18 68.2 53.07 35.66 48.82 38.95 47.83 52.38 41.95 55.05 82.76 45.35 33.93 54.22 38.96 62.71 46.13 55.33 74.94 33.61 38.47 45.12 36.4 38.26 35.72 42.67 41.09 32.13 36.27 60.4 51.12 29.92 44.6 42.96 47.7 34.63 29.14 42.12 36.81 30.69 39.88 40.88 38.22 27.37 40.02 32.99 26.34 34.14 39.35 42.23 29.3 36.21 36.4 45.5 41.36 29.23 N-Acetylhistidine 55.65 30.26 44.43 45.65 36.94 38.46 38.97 46.68 37.91 28.79 50.08 38.83 52.65 41.22 38.62 43.21 38.47 40.56 36.57 88.94 36.33 58.23 47.3 40.46 51.62 48.54 56.08 44.71 34.96 63.65 47.6 68.81 42.29 49.02 52.17 60.33 51.4 50.23 28.96 32.77 50.64 50.26 30.26 45.37 38.59 43.43 49.49 47.82 46.31 43.65 51.15 44.76 41.19 34.19 46.1 41.36 46.09 48.54 36 42.36 40.57 30.85 38.38 35.18 44.31 33.4 30.01 49.12 37.77 50.53 45.76 33.27 42.8 37.72 38.38 36.25 N6-Acetyl-L-lysine 369.9 270.43 340.71 317.8 380.45 299.43 373.43 319.67 292 257.99 297.83 306.51 395.2 290.97 293.07 287.4 302.44 293.27 272.22 482.95 307.35 402.01 411.99 471.79 468.83 362.93 387.83 338.79 347.94 377.17 441.89 517.17 266.36 370.15 315.91 373.29 357.54 362.4 228.72 328.56 288.22 426.01 367.31 364.35 363.02 327.89 350.54 359.21 336.95 352.74 401.26 313.73 300.29 257.6 328.63 304.88 286.12 333.23 269.79 251.35 262.09 290.03 274.74 273.42 342.97 229.36 308.25 282.73 272.21 386.32 267.24 221.54 268.09 269.33 319.24 291.31 N-a-Acetyl-L-arginine 64.04 44.94 54.32 65.97 38.85 36.27 61.45 38.34 49.42 41.4 59.68 55.45 69.34 46.26 74.59 45.62 50.95 60.03 31.16 104.55 47.24 78.01 74.9 42.19 61.41 54.33 58.32 48.87 67.35 73 72.38 89.42 45.77 95.6 51.87 61.71 66.7 55.46 38.23 45.93 47.27 88.64 50.91 49.5 63.94 55.35 52.01 66.35 49.08 62.17 79.21 57.3 72.59 37.09 63.22 55.78 38.44 52.04 38.1 35.96 46.79 40.23 41.14 38.17 67.6 43.32 51.85 59.6 34.6 53.78 41.61 62.73 41.75 44.4 57.16 30.81 N-Acetyl-L-phenylalanine 46.52 68.31 34.31 64.18 36.05 34.37 45.86 63.27 40.4 59.37 50.38 76.04 44.61 16.62 68.49 30.42 16.3 44.66 33.97 51.13 28.49 77.21 47.46 46.7 63.67 53.47 46.07 77.49 54.62 74.02 80.17 53.82 61.26 45.12 80.56 85.31 63.49 48.32 37.48 57.47 32.43 35.34 71.12 58.1 24.91 52.55 24.42 58.18 37.98 79.04 62.56 70.36 37.96 67.32 39.16 34.44 36.64 80.65 54.81 52.21 30.6 31.65 63.73 16.71 30.68 63.99 24.58 73.35 56.83 48.31 29.66 39.4 88.32 38.44 36.77 28.76 N-Acetyltyrosine 67.41 16.185 47.81 41.34 16.185 41.22 45.09 66.43 60.16 50.45 53.5 38.66 52.17 65.76 60.96 61.96 41.87 51.67 40.34 61.26 48.08 50.9 69.9 48.65 52.77 62.09 44.17 51 16.185 42.71 55.47 52.98 61.22 47.43 50.21 74.12 53.57 64.92 62.12 39.35 49.25 59.65 16.185 65.83 56.29 46.37 16.185 45.82 46.57 105.22 69.14 46.6 54.33 55.35 47.98 41.49 43.05 48.22 16.185 36.11 40.47 50.68 43.11 32.37 40.76 35.1 35.23 43.13 55.7 37.39 48.31 16.185 16.185 45.18 57.47 43.66 N-Acetyltryptophan 15937.51 19981.96 6256.26 19402.62 12397.29 14530.91 58132.63 29714.51 17422.42 17677.31 4777.56 17507.92 13250.62 564.38 12773.37 1934.39 4533.58 11429.4 20149.75 15853.88 20255.29 6946.3 17796.57 12884.03 13899.63 64782.76 32160.93 20453.6 17552.24 6961.13 25873.6 14897.81 4003.44 14244.63 1967.48 5070.79 10361.24 24196.82 9788.1 20459.8 6520.7 18154.01 10868.5 14186.4 55717.37 31668.99 20971.19 17550.06 6877.42 21569.42 16218.22 5294.46 15144.12 1382.69 706.03 11326.78 21390.31 16220.25 22395.52 14320.42 15401.7 10944.47 14413.55 51394.98 25797.54 13209.84 19561.9 5605.81 19741.77 12702.73 4555.27 13554.02 2368.4 3002.16 15612.7 22150.52 N1-Acetylspermidine 16287.18 18023.66 17682.18 44047.33 20868.3 19981.23 20638.41 18085.4 22687.65 21807.98 19703.07 13348.71 19445.68 24009.9 18533.36 23782.98 21707.27 16555.91 18911.86 31112.45 33193.43 22633.56 57385.94 20965.66 24289.33 17488.54 34203.29 44350.2 34843.01 27407.74 20340.03 29448.33 26325.08 26337.39 31554.05 23429.46 22026.77 19346.74 16132.07 19965.33 17363.9 25636.56 18324.41 14186.48 15016.66 16356.74 23344.95 13990.96 17145.32 8178.38 17687.07 14620.97 12138.91 23728.46 13652.82 11322.96 17163.69 30413.69 17449.36 18537.4 35546.24 20383.85 23264.42 26882.65 18504.35 23876.87 19555.88 23212.96 19314.87 16952.1 22624.8 20091.41 31686.44 32683.73 15772.01 26608.1 O-Acetylserine 1401.9 885.94 849.43 227.87 963.1 1058.71 1062.02 954.65 794.27 951.15 1684.53 1041.09 909.93 1098.74 827.52 888.32 932.46 709.93 1274.53 1741.61 819.38 1162.68 1368 1205.97 1244.64 885.59 1207.37 926.46 847.67 2726.72 1817.9 992.68 1005.35 1027.78 935.67 1336.66 679.46 1386.78 1421.59 872.61 648.06 1107.24 620.8 1753.72 820.95 832.02 1007.89 1212.09 2160.93 1275.8 856.27 1153.7 852.9 1146.4 809.52 699.34 956.26 1400.34 626.21 455.74 770.96 747.9 497.89 554.44 1004.56 842.28 494.47 1672.4 719.61 789.46 765.25 702.35 816.63 958.39 918.09 906.01 Phenylacetylglutamine 880.61 1490.7 2606.95 1120.98 5834.83 4621.51 724.42 1459.43 3443.91 458.03 3582.21 504.06 4374.37 1815.66 2065.26 1139.87 2318.03 808.3 514.98 1089.42 2697.56 4461.92 1211.26 6104.96 5017.41 1052.1 2483.38 3322.57 543.31 4703.74 1162.29 9171.65 3723.31 3434.04 2101.37 3579.94 1098.23 991.82 904 1596.26 1751.35 853.34 2175.67 2538.53 1216.8 1355.68 2017.31 374.68 2381.05 570.32 4094.71 2318.28 1796.85 2227.58 3356.92 948.16 698.5 969.57 777.48 544.18 1326.99 1439.57 2659.19 3835.1 1174.76 2452.97 573.81 6569.57 701.29 2344.95 1769.41 2342.34 1802.43 1553.41 1631.6 717.68 S-Adenosylhomocysteine 276.25 110.49 141.97 112.73 127.54 124.04 136.37 192.86 136.83 91.5 142.59 130.32 154.68 100.93 201.83 140.93 114.09 154.02 175.82 245.71 173.61 196.14 161.83 113.01 191.22 168.66 175.35 310.27 136.85 184.55 146.05 157.44 118.06 198.97 159.39 190.86 189.81 179.6 215.8 135.01 154.68 201.82 137.03 182.42 123.45 134.64 153.29 226.84 126.54 181.28 138.15 188.11 186.25 103.54 139.49 169 141.51 114.44 98.52 111.76 76.35 207.26 166.85 138.3 141.29 127.79 89.67 148.45 119.66 146.7 168.27 172.11 111.38 110.76 147 88.54 Cysteic acid 44.86 7 36.42 38.88 36.28 8.07 26.07 30.29 48.34 16.49 50.34 16.58 16.43 16.59 33.46 33.96 15.13 48.69 1.4 10.02 38.51 12.95 41.91 51.45 19.17 24.85 37.42 16.67 128.27 24.3 31.54 20.33 32 64.07 15.22 30.08 24.99 28.78 56.87 43.83 27.87 41.46 3.38 14 17.12 158.09 30.91 9.52 21.46 9.4 151.51 26.3 45.17 20.39 11.58 18.82 33.34 16.63 38.29 36.86 13.78 21.3 33.87 34.56 15.43 14.63 7.71 53.39 17.27 4.2 12.28 5.58 13.88 12.59 18.17 28.27 2-Oxoarginine 94036.7 60562.84 56728.59 45866.21 61133.94 77423.51 35314.66 74189.67 71144.71 57839.17 75944.16 78179.67 65366.78 71271.19 70075.14 68507.2 51012.1 62017.42 83630.49 107619.89 83750.86 89471.44 73675.56 54306.02 96067.04 57687.45 103099.67 97287.72 56491.29 101855.76 109511.58 129381.48 89740.47 85596.1 98686.52 67819.99 70037.04 88184.12 119028.42 82847.87 62404.14 70356.15 42857.75 80050.95 51032.15 60449.6 99933.29 70084.92 82940.22 107648.02 101144.8 57103.3 85712.82 82935.97 56128.34 69734.54 69070.57 97401.99 77552.12 64215.84 66580.54 38787.3 44802.49 43221.18 57390.67 57183.93 83433.03 74857.64 86720.38 77617.96 48245.77 55398.42 57592.82 44961.61 72887.77 61615.18 Methionine sulfoxide 1516.3 1001.37 1997.81 1677.82 1663.93 1554.22 1505.21 1679.73 1378.49 1875.21 1717.28 1483.4 1338.35 1635.23 1564.61 2022.02 1451.18 1199.25 1205.38 1187.19 1090.17 1493.54 3251.11 1720.93 1729.01 1541.23 1129.68 1442.8 1510.5 1624.23 2902.51 1958.66 984.64 1534.89 1447.56 1503.31 1435.39 1823.26 2389.9 1553.59 1881.62 2446.31 1430.62 1701.8 1693.83 1661.8 1699.61 1902.21 2044.77 1580.26 1730.3 1519.52 1087.72 1440.08 1648.54 1214.71 830.85 1236.82 1419.47 2015.77 1409.01 1300.5 1216.44 1489.81 1449.9 1154.69 1651.73 1545.55 926.33 1838.04 1193.82 1342.2 1782.52 1288.36 1421.95 1237.42 Alanyl-glycine 45201.75 41759.88 52080.78 52299.18 58904.13 52013.95 51301.63 48718.23 46697 977.62 52634.89 57020.02 58185.23 1955.24 51484.13 43299.44 59537.28 56026.13 65084.78 53180.74 69653.17 48272.28 51849.91 42945.91 44722.37 40452.43 2578.44 65491.37 63232.97 50643.26 977.62 51857.38 41447.94 55484.22 56195.08 34048.93 48410.18 58915.88 52247.22 64822.19 51180.24 56964.16 52482.39 44375.43 54789.02 45484.11 48112.18 45497.62 58572.82 54909.58 44379.49 53757.25 50732.42 74333.33 53900.64 53577.19 60557.18 42795.67 51720.29 61401.41 52733.54 66262.43 66052.01 60856.81 44594.68 56088.35 55188.74 66331.86 111448.95 54622.2 54060.37 48360.73 59941.24 47692.35 46915.24 56185.96 Glycyl-valine 219.61 263.08 293.15 582.25 426.72 453.89 575.09 646.98 550.19 320.11 353.85 304.5 249.17 324.26 505.16 135.08 356.68 218.13 253.05 447.86 271.93 274.46 603.69 763.16 599.1 1204.19 1100.13 1175.96 359.5 259.93 240.83 223.16 364.34 384.31 521.89 615.83 344.07 358.63 310.46 189.3 189.14 865.3 621.93 738.38 740.64 680.76 598.05 282.85 180.98 328.52 196.64 217.36 461.42 307.99 467.14 513.92 289.64 167.94 173.93 393.52 683.6 621.96 552.77 683.87 552.38 408.21 441.98 336.5 338.37 252.46 276.45 306.09 278.59 404.64 212.03 413.24 Leucyl-glycine 31.22 24.31 35.43 34.96 21.3 31.98 34.66 37.13 36.78 26.86 27.38 21.46 35.76 30.65 37.37 19.45 23.86 26.4 24.84 49.84 27.14 30.59 34.63 41.8 36.46 52.32 43.42 51.96 29.45 31.88 26.7 30.05 24.76 37.64 39.89 32.21 28.86 32.58 37.13 21.19 24.91 47.03 36.52 34.37 41.79 37.48 44.52 29.43 22.54 24.92 40.32 32.39 42.93 26.06 756.29 32.85 24.34 37.58 24.8 31.51 45.1 43.92 38.5 44.71 31.18 36.76 27.88 26.18 27.21 25.31 31.06 29.78 27.74 29.68 23.41 26.64 Leucyl-leucine 98.02 62.32 67.06 70.85 78.4 83.57 79.68 97.51 58.31 66.19 78.3 71.88 73.89 82.45 83.47 78.51 76.44 77.34 73.21 87.98 92.87 84.72 79 88.34 80.42 107.08 111.95 68.02 77.6 80.19 101.44 80.85 81.69 91.5 78.84 77.22 79.04 76.53 81.51 64.86 66.1 93.16 82.07 91.16 115.04 112.31 74.34 75.58 73.25 88.16 84.65 115.37 117.33 84.79 85.19 88.71 75.99 84.63 66.34 65.18 72.93 79.11 86.31 77.62 107.96 74.02 77.55 75.53 78.98 75.15 91.85 88.3 63.34 69.29 87.78 68.23 Indoleacetic Acid 1943.83 4500.84 1888.35 1658.28 2929.87 3904.53 1839.05 3479.77 1617.86 2247.75 2348.62 1983.29 3788.65 2331.47 2969.89 2131.65 4124.34 3246.67 1834.34 2213.36 3724.7 2484.83 1949.05 2800.42 4368.54 1883.36 3661.47 1809.37 1744.98 2830.66 2773.89 3527.15 2580.1 2585.17 2131.64 3897.68 2711.55 1695.16 3558.07 3496.18 1807.4 2580.86 3671.71 5213.61 1808.77 3754.52 2284.51 2409.69 2246.68 2011.88 3314.53 2117.9 3268.06 2614.49 4177.37 2824.28 2104.4 2759.1 2623.4 1727.46 2069.23 2095.92 3577.39 2769.97 4027.36 1341.13 1574.63 3187.15 2404.99 2799.74 2120.11 2735.14 2613.99 4280.66 3632.9 1712.21 Pipecolic acid 1231.49 1591.01 1802.44 1447.77 2005.9 1236.06 3576.36 1588.97 1729.47 1575.28 1589.35 1260.76 1267.42 2147.4 1465.7 1373.8 982.03 1218.1 1700.66 1274.18 1882.9 1637.14 1187.27 1724.68 1262.91 2808.13 1342.16 1812.76 1751.02 1448.69 1306.37 1294.76 1456.4 1053.87 1236.52 1025.45 1429.97 1674.96 991.89 1926.65 1275.22 1473.57 2302.57 1295.67 3878.27 1644.34 1751.6 1616.4 1344.74 1189.04 1258.03 1663.93 957.35 1302.55 1071.96 1870.21 1550.06 1182.59 1272.08 1343.59 1062.55 1420.42 1036.26 2659.31 1863.77 1425.49 1346.7 1352.73 3598.7 1405.85 1501.76 828.62 1265.22 879.26 1240.22 1716.9 3-Amino-2-piperidone 1806.55 513.99 942.48 611.69 911.85 1153.94 702.49 1328.51 1289.51 1244.99 1147.16 1210.98 624.85 1019.92 1311.73 1060.63 830.62 1166.96 2110.18 584.13 453.28 719.22 764.94 775.91 981.15 1259.11 721.16 1225.36 513.16 1229.4 1167.52 1368.25 754.01 676.78 1169.85 1075.32 1091.2 1346.04 442.08 1127.05 751.98 1690.76 429.86 1329.13 1102.55 630.07 1353.27 1644.21 1292.78 1957.28 942.84 654.64 1137.64 1282.04 1231.71 1221.68 628.88 855.56 984.72 1149.82 940.67 391.04 330.63 606.12 523.59 509.76 962.68 1010.19 784.89 1152.6 408.76 600.53 540.44 340.55 1068.47 893.91 2-Pyrrolidinone 3029.13 2314.54 640.32 2358.83 2979.68 2633.48 3004.16 3134.06 1910.58 2490.54 2983.53 2674.95 1986.59 1224.71 1102.19 347.98 1394.59 1597.56 1600.11 1334.16 2116.93 1418.96 1276.12 1554.65 1939.77 1081.89 1397.47 1446.19 2630.72 2297.73 1770.57 2366.9 1595.21 2401.96 1321.93 1269.93 2059.79 2043.24 58.44 1735.49 1297.46 1122.81 2269.13 1503.39 2376.95 949.42 1823.28 1720.01 1624.21 1349.22 2755.94 2647.64 2021.95 2206.04 2277 1906.26 1825.7 1362.12 1516.79 1325.22 732.27 2032.35 2179.34 1928.71 2746.02 2345.32 1742.03 1450.15 1582.11 1803.7 291.68 1448.55 950.54 1819.77 1268.75 1545.55 4-Guanidinobutanoic acid 2551.56 1952.35 1748.73 1614.94 1487.45 1979.64 1556.63 2140.79 1268.99 1881.68 1703.6 2508.88 2211.13 2040.65 1842.36 1864.7 1805.53 1952.82 2061.4 2514.52 1975.84 1792.61 1834.42 1595.86 2090.9 1519.68 2272.51 1451.3 2071.24 1891.62 2738.58 2769.51 1845 1713.04 1706.64 1793.38 2173.1 1807.7 1559.36 1771.24 1648.13 1799.82 1374.99 2166.38 1625.44 1878.93 1675.25 2093.13 1625.6 2521.92 2202.34 1970.44 1512.84 1707.41 1766.51 1946.57 1734.47 2279.25 1869.37 1679.5 1447.8 1084.65 1983.55 1221.85 1841.84 1348.39 1790.26 1700.04 2647.27 2571.74 1830.86 1810.48 1987.94 1652.61 2117.2 1800.83 alpha-Aminobutyric acid 27337.85 13555.33 24137.84 35396.36 24807.81 32666.02 33141.29 47975.09 19483.68 22574.17 16464.06 22600.42 20783.55 11075.83 20165.38 19481.38 19203.35 21426.28 34652.2 22759.61 14335.94 16439.43 26988.45 20683.91 25815.07 25106.91 39846.01 18428.04 21629.39 13778.7 19072.41 17316.37 9460.77 17248.37 15493.76 16807.22 16362.98 28975.48 30498.36 15848.36 17973.16 24518.15 23029.77 23893.79 30367.15 33639.46 16316.09 21663.49 16444.33 19182.99 17407.5 10701.16 18001.95 17876.73 649205.65 17291.35 34312.88 27624.21 14421.29 25300.64 31820.58 22201.41 21840.8 29554.34 27212.87 20408.96 16027.65 20876.98 30375.9 22156.33 16516.5 18523.91 16712.81 26234.07 24400.62 29710.02 gamma-Aminobutyric acid 42.52 89.63 45.07 73.54 24.12 65.09 75 108.27 95.87 56.14 11.74 36.91 3.7 72.6 66.3 14.91 51.73 153.86 34.36 126.45 60.99 31.07 46.59 121.77 80.03 78.17 46.75 140.19 51.53 68.64 41.41 78.99 29.51 56.1 74.2 89.33 71.87 84.01 164.56 50.6 124.51 29.12 61.8 40.07 4.22 14.39 34.19 79.31 79.4 11.66 73.75 46.43 33.02 77.55 17.85 24.78 89.2 101.13 119.93 90.92 79.83 27.24 113.19 105.68 80.67 7.58 15.36 16.2 68.68 26.86 67.51 50.79 76.15 91.88 105.21 118.5 4-Acetamidobutanoic acid 148.36 107.87 96.01 94.97 66.11 112.77 80.59 109.66 138.38 97.23 106.63 111.3 74.67 101.98 76.73 63.24 92.98 79.85 93.12 191.15 137.8 130.52 87.47 105.78 112.49 89.5 124.78 182.02 109.24 170.62 159.63 139.61 98.42 132.65 111.32 112.72 106.15 142.91 94.98 115.18 78.54 100.57 108.57 97.49 94.21 104.54 133.4 87.76 100.17 112.21 103.48 88.02 149.12 95.36 104.1 97.73 85.15 175.47 119.1 93.05 75.39 89.84 83.1 70.97 105.88 87.29 142.86 93.12 128.94 93.63 72.46 75.16 68.49 76.58 104.31 75.69 Aminoadipic acid 1813.61 1412.93 1700.3 1807.34 2210.43 2392.2 1887.1 1920.79 957.07 1239.48 1265.76 2582.85 1539.54 2730.24 2485.7 2194.88 2596.49 2026.88 1822.1 3008.9 2774.58 2724.46 3735.4 2682.32 6035.93 2297.6 3218.71 1939.71 2256.52 1646.83 3018.88 2097.38 2543.37 2627.75 2979.32 2327.41 1933.87 3771.18 3364.28 2253 2085.45 3650.33 1513.34 2633.15 2791.13 2431.56 1775.18 2525.91 2758.01 2969.47 2320.56 2895.76 2226.63 2223.2 2356.84 1743.14 2300.31 1827.56 1783.43 1179.99 1286.09 1775.92 2398.18 1762.74 2349.46 1745 2247.09 1154.19 1987.26 1887.5 1942.48 1883.8 1487.4 1520.53 1935.71 1541.86 Tryptophan betaine 20783.59 27763.45 8875.5 26624.92 20009.51 21685.51 116028.19 57337.97 30034.3 25278.31 8334.81 31268.46 19609.26 7389.88 18436.2 2937.76 6299.02 15746.43 32832.18 22782.58 34186.76 10175.76 24731.82 19721.8 24470.67 124859.65 62271.75 32686.82 26320.4 9630.61 37566.73 24525.27 7719.41 21402.66 2538.21 8015 16887.94 37416.78 20269 30135.49 9103.13 24905.48 16487.25 20173.71 119241.54 50806.34 29307.78 27089.04 8488.01 29090.07 20202.29 7481.58 20304.58 2316.53 6043.59 16534.57 30363.62 24526.72 30193.31 20663.53 23265.09 15057.39 22018.28 111268.49 43912.13 23314.98 28689.06 8864.76 27200.67 18437.52 5987.68 16971.35 3599.16 4545.11 20220.28 32002.17 Ethanolamine 10330.24 6146.57 4780.02 6704.2 5499.14 6108.09 5599.48 6865.31 7010.35 5206.16 6407.94 7585.42 7409.08 6444.09 5395.25 8378.65 7054.45 8414.94 7834.45 14466.39 9120.94 6124.49 7530.61 5510.83 6294.77 4062.8 8145.76 7747.62 8830.84 7756.59 8824.98 7911.19 6389.65 7396.46 7099.93 6406.48 8548.54 7667.73 5441.64 4678.88 4574.53 4451.37 4641.03 5176.16 4364.98 5491.89 5560.9 5347.03 5051.1 6243.09 5161.26 6790.2 5065.08 6541.3 5593.25 7161.72 8525.45 8523.77 5526.33 5112.48 4935.43 4425.6 6363.29 4394.43 6100.85 7753.37 4809.17 5407.54 7511.3 5801.09 6966.6 6010.18 6690 6685.61 6692.66 7068.98 Uric acid 463936.03 398716.53 406943.39 451859.49 563412.42 410156.59 472494.87 448401.02 491112.47 415069.18 369301.18 421475.05 418557.12 369079.27 481857.11 374155.56 318930.4 355812.23 613501.62 529946.17 418231.66 525431.56 412718.18 546055.18 429545.96 394893.21 487403.75 505559.95 411864.19 418064.21 453657.29 410261.75 351155.85 571619.73 349102.88 387554.73 380944.76 972365.83 695048.87 432601.97 497473.82 429222.15 441671.04 524795.1 379740.6 517609.92 513362.12 562498.67 455110.04 557488.39 405356.4 368973.57 536781.74 492607.15 354052.96 358688.57 576540.94 523760.43 306228.92 451843.75 400520.34 483927.55 404157.62 350658.58 534661.11 575092.97 340343.41 409402.38 500226.63 381192.18 325578.14 521191.32 333831.68 346318.2 422316.12 549561.39 N2-Methylguanine 25.41 25.77 23.09 30.68 29.77 21.34 11.28 22.93 35.63 16.83 23.79 36.08 20.34 31.58 25.44 22.58 26.14 27.02 32.27 34.76 22.39 19.19 22.91 35.97 25.42 19.89 31.16 44.38 35.58 28.57 31.91 29.05 14.58 23.09 28.68 19.81 25.51 31.68 71.83 24.83 22.96 31.54 24.63 27.13 16.28 36.48 28.53 28.76 21.52 39.79 29.23 29.21 24.64 25.51 33.71 26.01 29.25 26.11 24.17 19.64 33.69 26.46 15.1 19.19 12.02 20.74 35.94 18 26.4 27.89 25.62 23.35 20.41 23.57 21.89 24.5 7-Methylguanine 15.16 23.9 40.22 25.9 11.98 30.36 16.91 23.02 14.19 16.3 25.11 13.18 29.87 39.41 21.67 23.95 27.09 23.67 15.57 28.81 17.27 31.13 16.01 29.42 36.65 22.97 45.73 30.89 34.65 21.54 22.23 29.98 22.86 37.29 30.51 36.59 30.22 32.72 10.36 15.42 24.49 24.31 26.94 25.8 23.7 27.41 24.15 23.35 30.21 18.67 19.39 24.81 22.84 21.23 18.16 19.78 27.65 29.26 25.35 24.9 18.78 16.5 24.28 30.29 36.87 27.56 25.44 24.34 27.76 14.44 41.33 33.95 18.77 15.32 24.99 15.55 Xanthine 3413.88 1847.85 2434.99 2044.32 1850.63 2236.83 1581.22 3365.05 3232.63 2158.43 1513.28 1246.14 2353.47 2199.36 2056.14 1667.36 2229.49 3093.36 2083.87 9946.66 6101.05 3828.21 4016.3 2578.98 4764.23 1980.29 4352.36 5660.21 6055.3 4327.36 3475.68 5583.18 3416.39 4696.65 3525.87 4733.49 5881.92 5673.51 4074.48 2065.09 1784.87 1727.41 582.15 2595.82 1392.83 1658.99 1218.65 1125.43 1216.03 1432.75 1726.57 1141.3 2293.41 1704.9 1642.81 2455.63 3204.95 3517.71 2532.58 3274.9 2365.93 914.33 3232.51 1911.45 3094.68 2404.87 2880.36 2202.55 3984.17 1791.93 2784.68 3085.07 1077.73 2380.41 2635.78 1931.68 Hypoxanthine 1919.45 3876.81 4044.62 3230.63 1394.83 3592.63 3490.28 2927.81 2751.69 3056.87 2057.05 724.36 2458.81 3747.02 3195.99 1987.53 3484.54 2510.1 1348.09 9959.66 10194.25 7094.96 5765.2 4402.09 4113.05 4461.91 5582.7 6088.83 5021.59 3959.84 3630.97 5934.33 4764.3 4312.88 3182.12 5755.89 5612.1 4490.52 2531.65 1709.36 3253.13 2604.37 2503.15 2382.55 3055.2 1370.24 2107.91 1575.94 2369.64 932.75 2349.05 3865.99 3501.15 1492.24 2857.42 1862.78 2634.73 3095.59 3779.08 2622.58 2622.8 2247.19 3034.84 4095.11 1921.5 3782.81 2716.82 1389.54 1847.08 1661.54 3728.21 2597.9 1437.54 3121.17 2028.77 2342.79 Cytosine 44.47 23.08 50.98 50.74 25 45 31.78 18.6 44.67 22.15 18.06 29.32 57.29 32.97 70.88 29.32 31.45 13.82 19.82 30.68 16.4 23.19 41.89 8.4 13.29 25.08 12.79 43.65 30.51 15.1 48.69 37.82 10.79 35.77 14.05 24.33 9.28 30.27 2.88 13.06 21.97 50.54 22.45 38.19 40.09 27.94 101.37 30.17 38.61 74.91 43.73 62.47 36.89 45.12 38.77 28.75 19.17 15.19 17.21 23.31 10.12 15.72 13.12 34.75 13.64 5.45 17.72 14.05 79.73 28.93 28.14 53.65 70.58 28.92 76.39 87.13 Uracil 184.9 124.11 59.27 82.91 51.64 119.55 62.98 84.51 113.33 58.44 49.61 43.96 117.18 74.75 104.86 25.18 116.42 88.57 116.71 282.11 96.92 93.46 109.57 71.75 149.31 77.72 138.74 142.4 251.43 77.79 137.6 115.26 61.57 211.7 117.38 168.54 82.55 77.54 274.45 39.34 49.6 90.64 81.51 76.25 3.67 9.81 85.55 86.2 104.79 75.09 98.97 72.8 140.68 61.25 117.78 82.08 56.55 152.81 118.4 89.85 105 41.45 53.81 42.69 45.88 43.46 44.92 88.46 89.1 84.21 39.63 85.42 33.72 111.31 56.34 33.98 Dihydrothymine 413329.35 421554.72 506839.02 525717.87 640887.6 505867.97 491029.04 433469.85 567009.35 434067.78 446130.81 596631.15 611291.52 571427.62 542995.01 435290.93 586765.99 571128.77 690282.19 541037.3 620950.15 462316.46 514486.15 500295.89 507896.69 443727.14 541869.39 623827.31 546491.12 487057.02 413664.57 590183.32 399123.2 474551.92 489249.01 394713.74 510998.43 562484.61 601029.43 602519.96 497928.47 534493.09 502249.63 444351.26 604594.59 448432.68 581129.66 526624.79 653330.06 543250.81 499201.58 543078.35 398884.09 565152.78 546792.69 545977.8 602590.6 493688.29 503990.4 683584.52 489546.97 563062.19 617831.92 618835.77 452552.85 538070.23 549101.1 645700.58 712338.3 654859.88 512520.73 423760.33 611580.85 463629.39 433506.3 565838.63 1-Methyladenosine 46.3 47.6 39.67 41.89 39.37 35.36 40.08 39.07 45.26 32.87 45.12 47.5 48.34 39.97 39.91 49.88 40.38 39 41.53 58.84 48.04 46.33 42.39 34.99 46.33 39.96 42.42 42.07 45.42 44.82 48.67 46.58 39.92 64.92 45.58 44.36 42.32 43.57 45.16 34.61 46.81 40.43 38.94 43.69 37.8 46.66 42.07 35.16 39.91 38.98 38.83 42.88 48.45 44.21 40.99 47.39 57.64 39.33 36.96 35.73 35.17 50.93 44.61 36.76 48.14 51.18 33.52 43.15 51.49 38.76 45.68 51.15 49.07 40.02 40.18 43.6 N6-Methyladenosine 6.97 5.54 6.45 6.04 6.22 5.58 4.78 5.33 5.61 5.77 5.41 6.1 6.46 4.79 5.28 6.4 28.45 6.52 6.36 5.84 5.1 4.63 5 4.75 7.56 5.65 3.82 5.28 3.38 5.52 4.57 6.63 6.72 4.11 4.14 36.71 5.07 6.59 5.84 4.18 6.75 6.05 4.51 5.89 4.75 4.6 5.87 5.1 5 4.18 5.41 3.7 6.05 5.09 6.07 5.25 5.41 5.59 6.78 6.51 5.92 5.99 3.88 6.72 3.21 4.92 3.99 6.09 4.83 5.73 4.63 4.81 5.95 3.78 5.95 4.84 5'-Methylthioadenosine 18.85 15.62 17.24 20.75 27.03 21.99 15.58 21.54 18.52 16.65 15.38 17.59 19.4 19.98 23.89 22.65 14.87 19.14 20.16 24.23 14.04 30.65 23.54 28.22 28.11 32.53 29.66 23.77 16.27 23.58 34.41 29.8 24.56 25.05 28.32 29.69 19.82 30.6 24.77 20.67 20.19 21.95 15.83 28.31 18.11 21.01 21.64 17.83 18.94 21.11 22.01 15.71 27.12 22.75 20.32 18.72 19.14 20.29 16.7 17.95 21.24 16.87 14.74 18.9 17.15 16.08 15.85 15.63 18.86 18.09 15.46 16.5 12.21 11.01 15.82 17.44 1-Methylguanosine 64.16 66 52.68 68.05 54.84 58.78 52.22 55.89 68.86 53.31 51.26 69.22 56.08 62.62 63.56 51.11 57.94 52.28 64.84 104.53 105.22 77.97 86.86 60.81 65.71 60.02 81.27 90.81 76.12 85.63 93.37 74.34 61.25 81.77 72.71 76.89 68.27 80.57 31.32 45.54 57.31 59.19 48.76 52.84 54.65 43.57 58.23 52.56 55.55 56.26 44.72 50.88 62.69 52.57 50.88 49.94 71.76 66.63 75.94 52.36 60.92 57.82 51.72 47.21 51.84 72.12 60.56 53.9 80.75 58.18 64 66.73 49.5 58.27 53.89 64.63 N2,N2-Dimethylguanosine 40.95 38.2 37.66 47.84 42.58 42.26 35.19 40.65 47.39 35.04 38.03 49.92 41.97 46.78 35.94 40.97 38.63 35.86 41.3 74.51 54.55 49.3 52.98 48.46 49.29 39.47 51.46 55.03 53.9 54.6 57.18 56.02 44.78 57.73 50.13 52.65 44.41 48.13 25.24 36.15 38.87 42.73 39.93 47.26 39.69 39.25 40.44 35.03 39.65 37.77 38.5 37.7 41.27 36.62 40.4 36.73 42.28 49.39 41 39.28 43.19 39.1 46.8 36.12 37.86 40.89 43.81 38.75 52.67 40.57 41.2 43.37 35.31 33.29 35.8 39.89 Uridine 7083.75 5643.64 3672.97 4438.11 4255.67 4371.36 2969.31 4767.12 3552.75 2802.34 2474.64 2889.11 3912.93 3003.25 3585.11 3946.89 3858.35 5366.11 3091.8 10887.94 4266.81 4497.75 3613.27 2814.9 3490.64 2351.01 4716.03 5015.91 4669.3 2851.01 2487.64 4270.34 2669.99 4441.06 3413.92 3518.63 4977.78 3391.63 4808.61 2800.55 3545.99 2923.45 2608.19 5417.2 2179.51 1958.5 2439.27 2386.31 2321.16 2107.75 2285.12 2390.62 2906.46 3601.27 2974.88 4288.68 4874.36 6864.61 5407.91 4864.09 3895.67 4004.22 4448.89 4816.57 7040.98 4678.95 4280.58 4822.09 5518.8 3023.97 4517.11 5024.75 3893.03 5014.28 4928.15 3385.73 Pseudouridine 4467.59 2526.33 2645.82 2857.89 3559.44 3565.66 2720.53 3536.35 3921.43 2835.2 3169.3 3756.45 3502.25 2879.68 4511.02 2978.18 2890.27 2872.48 3686.95 4911.78 3563.23 3159 3305.41 3332.11 4624.91 2821.01 3938.66 4324.95 3409.46 3894.82 4414.22 3925.43 3204.7 4421.32 3664.49 3629.98 3400.23 4202.01 57126.38 2701.74 3395.32 3451.62 3203.15 4143.15 2303.11 3954.06 4561.2 3227.89 3215.44 5003.64 3656.59 2741.42 3901.46 2763.3 2949.17 3311.13 4349.66 4089.19 3039.42 2523.54 3049.32 5236.69 3351.79 2658.71 3534.77 3508.26 2334.81 3364.21 4566.77 3127.55 2998.13 3432.07 4156.82 3351.1 3063.77 3260.13 2'-O-Methyluridine 25.93 7.86 21.01 30.5 16.98 37.96 41.35 27.74 28.57 43.81 26.12 25.92 30.63 42.7 32.8 50 36.99 16.43 30.91 56.65 38.57 49.45 58.58 28.36 19.63 33.61 47.81 20.78 76.62 37.19 30.47 48.5 46.84 41.9 193.81 28.63 34.44 55.52 23.86 26.92 31.75 30.45 39.34 235.24 46.32 36.94 281.93 54.94 24.02 41.13 19.63 57.15 18.63 36.05 39.42 25.73 35.32 36.65 26.54 28.88 33.55 29.98 31.59 37.54 35.43 19.45 40 27.28 37.55 31.82 15.72 27.59 18.74 38.43 29.98 42.64 5-Methyluridine 123.01 205.65 96.98 124.34 111.8 95.19 79.11 128.21 150.43 201.24 116.47 146.56 112.08 69.75 40.41 135.86 84.69 88.12 171.18 101.5 197.07 166.97 84.97 203.74 100.42 42.18 120.05 58.8 169.46 118.21 136.91 129.27 110.77 107.6 76.75 126.28 48.52 178.2 112.94 113.23 76.74 71.22 170.17 47.38 88.8 125.96 99.97 156.28 102.5 134.76 63.64 98.29 33.44 79.09 61.03 6.11 139.64 126.16 132.28 139.54 197.79 95.87 170.82 141.7 185.37 117.79 74.95 128.43 154.75 176.8 72.57 83.67 47.89 34.5 52.18 117.41 5,6-Dihydrouridine 739.15 372.76 535.68 364.69 700.22 490.62 302.04 481.92 677.25 424.11 372.1 685.53 604.71 462.78 438.2 519.85 506.22 314.07 609.39 807.01 517.28 588.93 572.43 538.25 562.18 381.58 696.84 703.61 643.04 583.42 709.15 752.58 421.76 570.19 480.28 585.79 605.4 524.61 688.1 414.03 422.11 374.31 589.16 606.63 485.24 570.86 880.59 345.98 428.22 832.66 516.9 572.9 717.61 538.02 323.65 440.97 651.35 668.82 472.58 395.8 329.34 485.3 521.49 471.35 517.39 651.93 422.85 588.6 990.27 416.32 407.67 435.62 399.45 535.69 453.04 682.94 Cytidine 115.4 31.81 40.35 38.82 74.17 100.81 51.38 142.96 108.13 65.53 70.23 98.72 54.78 47.73 85.51 61.6 41.3 58.23 98.64 175.02 50.88 37.77 66.17 66.99 89.61 61.99 128.21 103.09 40.68 78.23 101.05 89.63 55.95 68.48 113.19 71.17 52.59 90.72 141.24 48.93 43.29 71.4 35.61 99.05 39.41 54.41 123.69 90.3 51.55 170.78 57.16 32.34 89.15 58.52 58.44 65.27 54.83 86.08 70.79 34.62 58.18 70.73 35.5 41.98 53.57 49.24 36.92 71.47 106.81 61.91 30.33 43.95 653.82 28.24 48.12 50.27 1-Methylinosine 94.85 68.84 73.48 87.12 84.61 92.78 75.4 93.2 106.09 71.39 85.98 87.36 97.48 107.44 81.15 72.24 73.96 62.11 77.16 70 102.54 99.08 121.64 113.71 111.04 82.14 123.76 147.24 86.53 125.65 136.55 110.01 104.43 109.98 104.75 98.56 100.24 131.68 40.62 92.25 67.58 94.24 70.22 94.01 76.6 95.89 97.11 70.14 99.61 83.23 99.8 80.72 94.04 68.32 81.2 66.32 92.4 101.86 72.92 69.74 96.83 70.27 87.72 93.14 73.25 78.88 86.19 101.63 88.92 75.87 84.71 75.46 68.41 50.99 80.26 100.16 Choline 16555.4 9295.85 12376.13 15574.37 12233.47 14173.34 10963.76 12897.19 11666.16 11940.86 13612.06 12764.25 11521.27 13427.38 11826.2 14484.82 13702.06 9491.24 11562.7 19981.25 9378.79 9675.94 14688 11538.88 12531.24 8067.93 11547.72 11758.03 11510.03 12625.57 13527.1 12332.75 10923.02 10580.45 14163.37 13637.27 9726.81 8791.18 14853.47 9285.87 9598.14 17023.53 12343.05 14001.33 10261.21 11451 11441.88 10218.81 12777.62 10193.15 12494.96 11937.19 8780.21 11669.79 14247.09 8112.29 9378.4 13449.47 9910.83 10729.97 13859.25 11585.94 14364.96 12080.4 12493.49 12159.3 11622.4 13255.1 14561.65 12552.22 13734.88 10779.4 12839.91 14998.39 9621.07 13982.14 Betaine 58948.17 34866.64 44683.48 50711.84 43765.43 41768.62 56501.81 51018.77 29344.21 55783.7 47396.97 41970.06 45854.12 63492.38 45698.64 61065.6 42734.61 41832.08 49248.36 66425.92 38609.25 41920.05 47905.8 39759.46 43939.15 48898 53443.28 31975.05 61827.12 44578.38 45722.96 54560.93 60253.9 44982.21 68457.43 44502.5 44659.43 49926.92 66003.74 45084.1 39679.47 61062.81 44472.41 40869.32 62411.86 64069.05 32567.56 60090.67 52014.81 46944.91 56190.73 63710.23 44180.19 62266.92 50035.4 39348.73 43960.2 53196.06 39593.5 39020.04 45293 40268.41 39530.22 49520.71 55008.32 29103.79 55794.81 47522.31 43328.05 48291.18 59738.81 48148.88 55747.8 43690.29 33314.89 54758.89 Carnitine 65442.01 40135.91 47353.25 43351.32 46222.58 53097.53 50406.79 67285.29 36536.21 49183.98 43037.36 59043.55 58232.37 42816.43 59335.51 38630.28 51931.42 54128.61 59216.19 58102.03 36172.94 41245.55 43728.56 40385.26 52012.83 51894.09 63847.14 39264.47 44270.59 41241.21 66221.31 63468.28 39818.69 50398.01 37962.83 49449.22 60332.74 51567.55 69638.67 44257.92 42259.84 55316.91 44902.41 56430.48 58544.22 65581.3 40846.24 53577.18 46350.1 67333.39 63255.54 44247.14 54374.52 43150.99 53132.58 55889.37 58367.16 68261.29 40810.01 44988.98 43917.95 40108.41 49721.1 48178.78 54345.66 34868.1 50162.08 40388.14 58456.67 62234.31 39350.02 55082.23 38134.1 48837.44 61808.68 55780.84 Trimethylamine 1089.37 639.66 1012.53 821.83 568.21 1455.74 1457.33 1728.64 1140.2 430.13 538.28 1504.76 1124.73 604.97 1111.34 729.51 703.4 632.12 624.44 516.29 242.28 412.7 1024.18 852.98 640.86 548.51 360.58 420.67 126.48 429.77 30.36 198.85 170.49 561.73 511.96 1249.82 1131.9 557.74 1042.27 350.86 580.65 1098.82 369.72 177.38 429.87 1107.65 1009.17 925.53 647.49 309.62 545.05 209.83 296.09 855.98 159.88 386.92 783.18 1279.92 1554.71 192.87 185.48 650.25 593.96 362.04 267.06 971.67 70.03 1.78 730.67 411.41 281.33 620.17 750.09 457.43 791.53 128.79 Trimethylamine N-oxide 1116.48 3552.35 1748.46 1761.71 2164.86 3562.87 2133.27 1249.22 555.3 1424.49 3634.21 1452.97 2953.41 2209.28 4128.47 1416.71 1890.21 1337.55 3046.67 2132.4 5001.52 2717.2 2326.53 1897.09 5375.7 3007.94 1740.63 626.08 1302.2 6727.82 4856.54 10169.22 2816.1 6665.26 5916.62 70421.83 2429.33 4489.85 7039.24 4677.89 957.81 4401.26 2171.44 2816.9 4369.04 4826.19 489.65 2679.38 5863.55 4897.51 6313.7 3728.49 4149.13 4369.5 3638.65 1274.16 3244.6 2508.01 2547.02 642.66 1081.13 470.7 1724.14 4303.88 1474.3 512 642.59 5880.04 1137.85 2838.79 4073.39 3919.57 1819.68 892.22 1438.89 4750.59 Niacinamide 231.87 212.17 190.42 188.61 169.2 203.33 136.29 115.33 116.28 174.08 161.42 180.65 181.35 119.6 189.64 276.49 188.79 152.28 179.61 687.53 274.11 288.46 231.41 292.58 291.42 208.47 178.99 145.97 126.21 420.53 262.21 94.52 136.64 299.23 203.15 95.94 156.42 138.65 315.35 105.18 216.92 81.91 195.15 158.8 121.49 211.58 143.66 116.79 187.68 158.5 180.19 305.56 1053.22 287.63 169.92 289.16 288.18 209.47 160.19 201.52 202.99 266.41 281.38 191.86 246.18 283.95 130.03 292.17 177.8 86.87 174.31 205.18 194.62 247.76 212.63 153.5 1-Methylnicotinamide 27.38 19.18 34.76 32.15 34.16 26.54 30.27 35.48 72.91 28.53 13.29 37.38 30.23 27.99 15.87 24.4 30.24 29.39 61.81 28.22 14.4 18.02 18.83 15.6 13.28 17.3 28.71 41.03 20.4 12.8 25.73 19.3 15.91 23.46 14.3 17.7 17.25 26.09 8.48 15.46 20.67 13.77 15.11 18.21 20.27 16.05 24.95 15.52 9.95 16.41 14.47 13.71 16.13 13.54 17.3 13.45 18.63 4.05 23.69 55.42 31.13 19.17 24.37 22.41 51.58 25.72 33.97 16.39 31.82 21.03 50.23 31.2 23.15 32.55 71.83 39.62 Trigonelline 106.44 122.22 47.41 40.53 38.35 79.23 142.84 61.52 79.77 58.88 60.74 65.13 94.24 140.1 45.63 80.52 57.57 133.92 61.76 109.51 115.65 130.79 37.72 37.74 103.93 187.54 105.6 76.78 165.78 74.35 84.27 124.27 226.42 62.35 86.55 98.05 162.19 100.33 119.69 104.27 90.18 375.08 271.13 195.43 311.79 293.71 446.78 207.06 252.19 378.53 333.83 612.13 105.64 99.1 356.65 205.02 71.58 58.75 43.29 25.72 31.98 29.06 37.77 62.02 23.23 68.8 19.34 38.79 324.62 61.06 96.21 32.61 90.49 31.77 34.45 64.57 N1-Methyl-2-pyridone-5-carboxamide 4407.52 2802.5 2371.39 2575.6 2253.19 2457.79 1258.55 2373.94 1898.62 1875.77 1077.6 3107.15 2119.83 1601.68 4055.08 1736.47 3913.89 1809.21 3360.21 4395.16 2690.98 2476.82 2696.97 1942.03 2940.47 1493.18 2822.35 2524.43 1967.8 1307.97 3693.47 2505.35 1636.57 3975.65 2252.1 4240.07 12820.36 3682.17 3280.21 2631.91 2377.37 2541.6 1887.5 2836.48 2235.03 2247.33 2028.49 2141.35 1109.85 2681.19 1913.72 2055.05 3853.64 1994.19 3138.08 1918.11 3430.2 2208.8 2314.86 2721.47 2172.44 1145.97 2142.28 2690.82 3672.31 1109.78 2033.33 1638.16 3293 2018.52 2009.19 2569.89 1662.54 3711.45 4156.07 3152.77 Guanidoacetic acid 2720.99 4338.47 3777.28 2369.5 2431.35 2171.89 3307.1 2273.19 4089.18 2789.34 5940.36 3050.36 3066.21 3291.32 2511.39 2204.53 1989.17 2940.85 3627.27 3329.85 4361.9 3820.63 2128.66 2260.27 2492.11 3720.67 2763.36 5096.83 2930.7 5577.66 3555.15 3406.08 3415.47 2568.43 2602.72 1795.82 3710.71 4358.59 3691.17 6111.15 3600.6 3079.64 2749.39 2713.65 4364.97 2967.53 4246.23 2765.25 6715.03 3069.23 3294.55 4846.45 2056.08 2792.18 2264.19 3140.13 3178.12 2903.36 5087.01 3487.28 1981.27 3018.13 2480.77 2856.05 2631.32 3789.06 2596.32 4926.13 3164 2663.84 2105.4 1733.66 2028.78 2280.71 2030.77 4159.25 4-Pyridoxic acid 27.1 37.89 15.24 19.21 22.4 22.59 16.35 19.67 20.31 13.33 14.03 18.43 27.04 18.03 39.71 15 16.56 14.56 16.87 57.35 41.6 35.92 23.04 18.76 27.19 19.49 25.84 20.83 26.18 23.01 26.13 41.25 18.35 58.37 23.22 19.6 15.23 21.68 15.13 24.18 22.95 20.99 18.09 32.16 16.81 20.73 19.53 16.61 13.71 14.62 25.06 16.55 40.89 16.65 21 14.92 26 25.06 14.2 25.87 19.88 18.52 23.88 18.15 19.93 16.74 13.22 17.4 24.28 28.56 9.47 68.66 16.29 17.86 14.5 20.01 Pantothenic acid 100.29 72.84 276.89 147.21 88.89 105.4 119.29 146.38 112.52 102.36 70.03 110.62 136.77 103.76 146.98 80.81 135.67 112.63 114.06 202.28 130.9 277.83 125.06 152.76 140.21 110.4 170.36 138.54 147.6 88.04 132.35 136.07 109.55 158.57 121.72 189.47 115.04 143.19 302.38 62.67 318.29 128.05 99.65 105.91 107.82 135.29 93.3 83.66 68.17 95.02 151.33 132.64 91.18 86.3 123.31 94.75 121.07 150.24 126.35 190.59 413.02 124.32 108.84 127.43 129.43 126.18 125.65 106.9 102.53 129.29 100.31 161 92.09 109.97 70.85 116.87 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name chemical_formula Glycine C2H5NO2 Alanine C3H7NO2 Beta-Alanine C3H7NO2 Sarcosine C3H7NO2 Serine C3H7NO3 Aspartic acid C4H7NO4 Asparagine C4H8N2O3 Threonine C4H9NO3 L-Proline C5H9NO2 Hydroxyproline C5H9NO3 Glutamic acid C5H9NO4 Pyroglutamic acid C5H7NO3 Glutamine C5H10N2O3 Methionine C5H11NO2S Valine C5H11NO2 Histamine C5H9N3 Leucine C6H13NO2 Isoleucine C6H13NO2 Arginine C6H14N4O2 Homo-L-Arg C7H16N4O2 Lysine C6H14N2O2 Tyrosine C9H11NO3 Phenylalanine C9H11NO2 Tryptophan C11H12N2O2 Kynurenine C10H12N2O3 Taurine C2H7NO3S Hypotaurine C2H7NO2S Citrulline C6H13N3O3 Ornithine C5H12N2O2 Cystine C6H12N2O4S2 Creatine C4H9N3O2 Creatinine C4H7N3O Carnosine C9H14N4O3 Melatonin C13H16N2O2 Serotonin C10H12N2O Thyroxine C15H11I4NO4 Ophthalmic acid C11H19N3O6 1-Methylhistidine C7H11N3O2 3-Methylhistidine C7H11N3O2 N,N-Dimethylglycine C4H9NO2 Symmetric dimethylarginine C8H18N4O2 N-Formyl-L-methionine C6H11NO3S N-Acetyl-L-alanine C5H9NO3 N-Acetyl-beta-alanine C5H9NO3 N-Acetyaspartic acid C6H9NO5 N-Acetylthreonine C6H11NO4 N-Acetyglutamic acid C7H11NO5 N-Acetyglutamine C7H12N2O4 N-Acetymethionine(NAM) C7H13NO3S N-Acetylvaline C7H13NO3 N-Alpha-acetyllysine C8H16N2O3 N-Acetylhistidine C8H11N3O3 N6-Acetyl-L-lysine C8H16N2O3 N-a-Acetyl-L-arginine C8H16N4O3 N-Acetyl-L-phenylalanine C11H13NO3 N-Acetyltyrosine C11H13NO4 N-Acetyltryptophan C13H14N2O3 N1-Acetylspermidine C9H23Cl2N3O O-Acetylserine C5H9NO4 Phenylacetylglutamine C13H16N2O4 S-Adenosylhomocysteine C14H20N6O5S Cysteic acid C3H7NO5S 2-Oxoarginine C6H11N3O3 Methionine sulfoxide C5H11NO3S Alanyl-glycine C5H10N2O3 Glycyl-valine C7H14N2O3 Leucyl-glycine C8H16N2O3 Leucyl-leucine C12H24N2O3 Indoleacetic Acid C10H9NO2 Pipecolic acid C6H11NO2 3-Amino-2-piperidone C5H10N2O 2-Pyrrolidinone C4H7NO 4-Guanidinobutanoic acid C5H11N3O2 alpha-Aminobutyric acid C4H9NO2 gamma-Aminobutyric acid C4H9NO2 4-Acetamidobutanoic acid C6H11NO3 Aminoadipic acid C6H11NO4 Tryptophan betaine C14H18N2O2 Ethanolamine C2H7NO Uric acid C5H4N4O3 N2-Methylguanine C6H7N5O 7-Methylguanine C6H7N5O Xanthine C5H4N4O2 Hypoxanthine C5H4N4O Cytosine C4H5N3O Uracil C4H4N2O2 Dihydrothymine C5H8N2O2 1-Methyladenosine C11H15N5O4 N6-Methyladenosine C11H15N5O4 5'-Methylthioadenosine C11H15N5O3S 1-Methylguanosine C11H15N5O5 N2,N2-Dimethylguanosine C12H17N5O5 Uridine C9H12N2O6 Pseudouridine C9H12N2O6 2'-O-Methyluridine C10H14N2O6 5-Methyluridine C10H14N2O6 5,6-Dihydrouridine C9H14N2O6 Cytidine C9H13N3O5 1-Methylinosine C11H14N4O5 Choline C5H14ClNO Betaine C5H12ClNO2 Carnitine C7H15NO3 Trimethylamine C3H9N Trimethylamine N-oxide C3H9NO Niacinamide C6H6N2O 1-Methylnicotinamide C7H8N2O Trigonelline C7H6NO2 N1-Methyl-2-pyridone-5-carboxamide C7H8N2O2 Guanidoacetic acid C3H7N3O2 4-Pyridoxic acid C8H9NO4 Pantothenic acid C9H17NO5 METABOLITES_END #END