#METABOLOMICS WORKBENCH zys1986062186_20240707_232631 DATATRACK_ID:4988 STUDY_ID:ST003348 ANALYSIS_ID:AN005484 PROJECT_ID:PR002083 VERSION 1 CREATED_ON July 24, 2024, 10:51 pm #PROJECT PR:PROJECT_TITLE An integrated LC-MS analysis of the biometric characteristics of different time PR:PROJECT_TITLE cohorts of race walkers PR:PROJECT_SUMMARY To obtain metabolic changes during endurance exercise, we conducted a PR:PROJECT_SUMMARY metabolomics study in which 19 race walkers were recruited to collect blood at PR:PROJECT_SUMMARY four time points: before, during, after, and after rest until day two using both PR:PROJECT_SUMMARY non-targeted and targeted methods. A total of 859 metabolites and 411 lipids PR:PROJECT_SUMMARY were identified by non-targeted methods, and 465 metabolites were quantitatively PR:PROJECT_SUMMARY identified by targeted methods. This extensive data set provides a valuable PR:PROJECT_SUMMARY resource for understanding systemic metabolic changes caused by race walking and PR:PROJECT_SUMMARY helps researchers identify biomarkers of exercise 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 0411-93635863 #STUDY ST:STUDY_TITLE An integrated LC-MS analysis of the biometric characteristics of different time ST:STUDY_TITLE cohorts of race walkers - untargeted ST:STUDY_SUMMARY To obtain metabolic changes during endurance exercise, we conducted a ST:STUDY_SUMMARY metabolomics study in which 19 race walkers were recruited to collect blood at ST:STUDY_SUMMARY four time points: before, during, after, and after rest until day two using both ST:STUDY_SUMMARY non-targeted and targeted methods. A total of 859 metabolites and 411 lipids ST:STUDY_SUMMARY were identified by non-targeted methods, and 465 metabolites were quantitatively ST:STUDY_SUMMARY identified by targeted methods. This extensive data set provides a valuable ST:STUDY_SUMMARY resource for understanding systemic metabolic changes caused by race walking and ST:STUDY_SUMMARY helps researchers identify biomarkers of exercise 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 #FACTORS #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)=79_1 SUBJECT_SAMPLE_FACTORS - 79_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=79_2 SUBJECT_SAMPLE_FACTORS - 79_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=79_3 SUBJECT_SAMPLE_FACTORS - 79_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=79_4 SUBJECT_SAMPLE_FACTORS - 81_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=81_1 SUBJECT_SAMPLE_FACTORS - 81_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=81_2 SUBJECT_SAMPLE_FACTORS - 81_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=81_3 SUBJECT_SAMPLE_FACTORS - 81_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=81_4 SUBJECT_SAMPLE_FACTORS - 83_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=83_1 SUBJECT_SAMPLE_FACTORS - 83_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=83_2 SUBJECT_SAMPLE_FACTORS - 83_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=83_3 SUBJECT_SAMPLE_FACTORS - 83_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=83_4 SUBJECT_SAMPLE_FACTORS - 84_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=84_1 SUBJECT_SAMPLE_FACTORS - 84_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=84_2 SUBJECT_SAMPLE_FACTORS - 84_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=84_3 SUBJECT_SAMPLE_FACTORS - 84_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=84_4 SUBJECT_SAMPLE_FACTORS - 85_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=85_1 SUBJECT_SAMPLE_FACTORS - 85_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=85_2 SUBJECT_SAMPLE_FACTORS - 85_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=85_3 SUBJECT_SAMPLE_FACTORS - 85_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=85_4 SUBJECT_SAMPLE_FACTORS - 86_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=86_1 SUBJECT_SAMPLE_FACTORS - 86_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=86_2 SUBJECT_SAMPLE_FACTORS - 86_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=86_3 SUBJECT_SAMPLE_FACTORS - 86_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=86_4 SUBJECT_SAMPLE_FACTORS - 87_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=87_1 SUBJECT_SAMPLE_FACTORS - 87_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=87_2 SUBJECT_SAMPLE_FACTORS - 87_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=87_3 SUBJECT_SAMPLE_FACTORS - 87_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=87_4 SUBJECT_SAMPLE_FACTORS - 88_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=88_1 SUBJECT_SAMPLE_FACTORS - 88_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=88_2 SUBJECT_SAMPLE_FACTORS - 88_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=88_3 SUBJECT_SAMPLE_FACTORS - 88_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=88_4 SUBJECT_SAMPLE_FACTORS - 89_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=89_1 SUBJECT_SAMPLE_FACTORS - 89_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=89_2 SUBJECT_SAMPLE_FACTORS - 89_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=89_3 SUBJECT_SAMPLE_FACTORS - 89_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=89_4 SUBJECT_SAMPLE_FACTORS - 90_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=90_1 SUBJECT_SAMPLE_FACTORS - 90_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=90_2 SUBJECT_SAMPLE_FACTORS - 90_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=90_3 SUBJECT_SAMPLE_FACTORS - 90_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=90_4 SUBJECT_SAMPLE_FACTORS - 91_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=91_1 SUBJECT_SAMPLE_FACTORS - 91_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=91_2 SUBJECT_SAMPLE_FACTORS - 91_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=91_3 SUBJECT_SAMPLE_FACTORS - 91_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=91_4 SUBJECT_SAMPLE_FACTORS - 92_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=92_1 SUBJECT_SAMPLE_FACTORS - 92_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=92_2 SUBJECT_SAMPLE_FACTORS - 92_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=92_3 SUBJECT_SAMPLE_FACTORS - 92_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=92_4 SUBJECT_SAMPLE_FACTORS - 93_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=93_1 SUBJECT_SAMPLE_FACTORS - 93_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=93_2 SUBJECT_SAMPLE_FACTORS - 93_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=93_3 SUBJECT_SAMPLE_FACTORS - 93_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=93_4 SUBJECT_SAMPLE_FACTORS - 94_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=94_1 SUBJECT_SAMPLE_FACTORS - 94_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=94_2 SUBJECT_SAMPLE_FACTORS - 94_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=94_3 SUBJECT_SAMPLE_FACTORS - 94_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=94_4 SUBJECT_SAMPLE_FACTORS - 95_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=95_1 SUBJECT_SAMPLE_FACTORS - 95_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=95_2 SUBJECT_SAMPLE_FACTORS - 95_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=95_3 SUBJECT_SAMPLE_FACTORS - 95_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=95_4 SUBJECT_SAMPLE_FACTORS - 96_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=96_1 SUBJECT_SAMPLE_FACTORS - 96_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=96_2 SUBJECT_SAMPLE_FACTORS - 96_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=96_3 SUBJECT_SAMPLE_FACTORS - 96_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=96_4 SUBJECT_SAMPLE_FACTORS - 97_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=97_1 SUBJECT_SAMPLE_FACTORS - 97_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=97_2 SUBJECT_SAMPLE_FACTORS - 97_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=97_3 SUBJECT_SAMPLE_FACTORS - 97_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=97_4 SUBJECT_SAMPLE_FACTORS - 98_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=98_1 SUBJECT_SAMPLE_FACTORS - 98_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=98_2 SUBJECT_SAMPLE_FACTORS - 98_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=98_3 SUBJECT_SAMPLE_FACTORS - 98_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=98_4 SUBJECT_SAMPLE_FACTORS - 99_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=99_1 SUBJECT_SAMPLE_FACTORS - 99_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=99_2 SUBJECT_SAMPLE_FACTORS - 99_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=99_3 SUBJECT_SAMPLE_FACTORS - 99_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=99_4 #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. One CO:COLLECTION_SUMMARY athlete quite during the study (No.80) and the data of heart rates in each CO:COLLECTION_SUMMARY timepoint is shown in Table 1. CO:SAMPLE_TYPE Blood (serum) #TREATMENT TR:TREATMENT_SUMMARY There is no treatment involved in this study #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_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) CH:SOLVENT_A 100% water CH:SOLVENT_B 5% water/95% acetonitrile CH:FLOW_GRADIENT 2% B to 100% B in 10 min. CH:FLOW_RATE 0.4 mL/min CH:COLUMN_TEMPERATURE 50 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS - #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples 79_1 79_2 79_3 79_4 81_1 81_2 81_3 81_4 83_1 83_2 83_3 83_4 84_1 84_2 84_3 84_4 85_1 85_2 85_3 85_4 86_1 86_2 86_3 86_4 87_1 87_2 87_3 87_4 88_1 88_2 88_3 88_4 89_1 89_2 89_3 89_4 90_1 90_2 90_3 90_4 91_1 91_2 91_3 91_4 92_1 92_2 92_3 92_4 93_1 93_2 93_3 93_4 94_1 94_2 94_3 94_4 95_1 95_2 95_3 95_4 96_1 96_2 96_3 96_4 97_1 97_2 97_3 97_4 98_1 98_2 98_3 98_4 99_1 99_2 99_3 99_4 Factors Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Valeric acid(FFA(5:0) 2264173.964 2391405.299 1874030.823 1867282.458 2654014.614 2758072.912 1689148.791 1655179.873 2460643.032 2004699.295 1945819.152 2366704.677 1746462.898 3538488.067 2678539.724 2618095.49 1523076.698 1948469.829 1441003.2 1592372.799 1735889.679 1726415.331 2588186.363 1934405.53 3292978.882 1472991.105 2119519.799 3001191.455 2821226.374 1679463.726 3108439.82 3836951.404 1671063.86 1899285.699 1419966.777 1675263.661 1443619.102 2155113.863 1742471.858 2960400.438 3330783.877 2594828.576 2157254.04 2177058.244 2405691.514 3199676.884 2855525.385 1698652.52 1455807.649 1785308.907 1415410.984 1800531.325 2617215.476 2632841.015 2372276.81 3017374.128 1788454.348 2354442.815 2243874.744 1886165.6 1635851.878 2590005.614 2459944.084 2264523.974 1881129.614 3455847.145 2545857.473 2348063.596 1771802.152 2345027.749 2527223.55 2708582.252 1981092.667 2044006.169 2133871.159 2000156.076 2-Hydroxybutyric acid+3-Hydroxybutyric acid 82106615.6 202587168.9 199083195.4 110114735.6 51648541.87 64527079.09 30056615.44 32373303.82 62617589.82 125176885.9 239820174.2 64705467.83 70124958.87 127847538.6 33206906.46 53663526.44 61565663.14 229095031.1 45863667.29 48232044.43 124861520.3 168443448.7 43831949.9 59394501.8 86160073.83 140150151.7 63689022.17 112508341.9 114111870.6 277411643 44627438.59 82859697.34 46514304.24 118955616.8 24011506.18 86789936.75 37036057.37 232846627.6 68436873.28 50028702.46 62919891.6 143076157.6 34167722.31 55637239.74 60932881.86 51707637.63 43268774.89 91793349.15 59929984.84 234876503.6 57776432.06 70089526.92 49699910.09 87437727.62 42608675.43 71721702.96 70796148.21 167305986.8 101948162.7 67513062.99 63851019.75 264836742.7 41970104.51 38646154.59 74466905.69 224541458.4 51932136.99 88624093.41 55629999.34 91877724.28 68034045.41 103081349.3 55775876.43 247190391.5 52578039 62638343.31 Fumaric acid 4307945.921 12818056.21 5655962.042 5538634.495 4645913.374 8928434.115 3921877.197 4341835.348 3475127.694 7168137.706 3443416.787 3028711.93 3009089.045 6986367.232 3302073.062 3900972.701 3658902.484 5309055.658 3506743.673 3677330.961 6969586.968 5383542.111 3888866.859 4017745.186 4559528.227 4334977.183 2752905.993 4978078.86 6804658.638 4981144.821 4897233.185 5254314.84 4059271.552 7011522.088 4903313.823 3534752.838 3211069.192 6503290.951 2729349.017 3177009.095 3902880.677 5691038.761 3842395.489 3860312.29 3688802.529 5416694.351 2906371.96 2723242.545 4983047.271 8218079.433 3592587.44 5052184.8 3480083.057 4976592.8 3220984.588 3662890.278 5598541.519 8005805.101 4749420.014 5501943.862 4164730.425 5896978.085 3644210.603 2868098.31 4415718.482 4594738.397 4030589.349 4341207.465 4046004.758 5300301.83 3438029.805 3918068.809 3300543.617 4446276.863 2613238.891 2919306.24 alpha-Ketoisovaleric acid 11732173.1 13302237.51 10326178.14 10734679.2 12766939.81 10594102.36 7590216.639 9951325.454 10178621.13 11230150.27 10268694.71 9506359.105 10670586.19 12070690.47 10818517.83 10183965.28 9283712.66 12665688.23 9253591.042 10366225.4 12354486.4 10553601.3 10342019.88 9205679.82 11760844.88 9704620.675 9153743.288 12750263.9 11814239.87 11240154.74 9646427.432 12927972.95 8342839.606 8732424.04 7465613.741 13387053.12 8558925.799 9927531.79 7676710.678 8920023.89 10645387.35 9217367.832 8911442.097 10916990.16 9122711.043 8958948.177 8897650.037 9926147.453 13569902.89 13253973.44 13048383.45 12378894.36 8771822.47 8224995.919 7859486.869 9193196.681 12436256.74 12103743.36 8999446.477 11033307.84 10180565.78 11655755.7 8364747.409 11026786.44 12300249.48 12770610.54 12519770.98 13435925.25 10317912.98 10171640.01 11669415.01 14405011.07 10230683.59 12129552.68 8494156.906 10511832.48 Acetylglycine 11878752.99 16598772.04 16945895 18305126.79 9925868.979 12905778.48 16821145.39 19665502.21 18616196.01 12537717.6 11090624.18 12150673.78 27987678.2 12650837.93 12094472.07 12280399.68 19800678.26 12570693.38 11748397.17 8921687.446 10461424.04 9930850.692 9837143.075 10307108.08 10720436.13 10201857.06 11757594.4 10978969.79 9981434.845 13086682.9 11640769.12 10904643.95 12495309.11 22824824.31 12040975.99 15131508.24 9980647.564 14145118.04 12436723.63 25941986.31 11330787.95 17698188.33 18606420.69 11007868.12 11025818.1 11294125.95 12605682.91 12928926.83 19557755.17 16170585.98 10491207.73 14852535.85 10269229.61 12681246.14 15323235.44 9933602.261 12737814.46 11204610.91 18423283.3 11774501.81 10847039.75 10589429.33 13037433.19 10743414.35 14036348 11772744.26 12628217.72 13567374.15 19608384.92 14353499.23 13028878.56 14511479.04 13055541.77 11360138.39 10639928.45 10635069.01 L-Valine 419241868.8 332989967.1 447194411.3 300730479.3 283411912.2 299737947 374729429.8 228884824.5 365441372.2 282206689.3 294378151.7 432342078.7 375710188.2 401829936.6 389954202.6 333287582.6 328271044.3 285243468 362654085.1 307117550.1 445057602.3 317511069.3 334781132.5 324223778.3 303074533.7 263486357.4 414220774.3 360219687.7 385287024.7 315833302.7 384298412.6 477513369.9 268046735.9 206467942.7 253051086.2 276400545 281911251.3 308018153.7 347409524.8 338134963 395332024.6 297002992.7 425611818 360816853.3 465264928.5 389848194.2 448178425.7 340327779.4 308445839.3 411731002.8 439754888.6 360074305.5 377941248.9 247238945.6 432541518 258419233.4 423879660.9 279356331.2 364271918.8 339428020.8 426834261.7 347235734.9 341215881.3 351456274.5 362989258.9 327368855.8 426990873.8 427860000.9 295455942.4 311202092.2 300110595.4 513674304.5 307516592.4 262123495.9 266488622.7 304143660.7 Succinic acid 9364608.956 29766917.27 15545007.63 12235326.58 7046624.327 16810462.8 8975038.275 9508225.783 8773327.478 13788879.8 7931608.502 9075315.734 9053455.916 14731525.36 7618975.05 7210782.375 9965980.748 9770375.288 9141285.497 8478844.987 6981780.55 9311485.358 8246842.71 7726725.221 8474256.283 10372094.66 11802534.29 7082491.397 8499597.392 13983676.04 13483894.12 10044968.4 8232875.65 10891155.06 10739143.15 10397207.78 7590697.05 11767380.53 7757554.512 10106317.02 10541441.06 14515025.62 9988374.283 7161085.568 8849975.396 13634047.62 9366135.678 8621315.321 7868343.088 14443824.96 10714108.74 8766330.411 8525377.196 10679854.87 11078565.31 9158234.041 9648651.193 12273921.86 11590853.2 9244266.218 7090785.535 12494415.82 7360650.397 6405260.933 7851022.674 10707998.4 8243024.548 9206136.226 8341862.871 14369105.29 7729519.475 8610114.39 8170472.549 10627287.3 9151413.48 7087592.709 2-Hydroxy-3-methylbutyric acid+3-Hydroxy-3-methylbutyric acid 24366.97627 67960.76535 40624.60576 15055.12687 46352.87639 181504.5166 15367.95634 17584.73312 27563.48511 64664.81127 23285.40507 159061.6811 78529.53087 151581.5086 6117.650751 42720.21911 170268.5299 106858.2037 25902.71388 43522.96968 7090.993628 35251.69787 165830.2986 8802.017075 103243.9059 266385.6231 125512.1253 68841.01585 127761.1078 75487.32149 5591.119165 8335.171885 65122.83487 10686.8232 88948.25905 73971.26228 235664.6622 65480.36414 79857.77428 207114.278 90719.1223 88019.74639 72057.2391 30268.85585 178642.6915 47101.05699 112842.0179 138616.8863 73135.93819 57232.13759 46035.35034 102729.766 266618.1514 113414.3123 79100.4659 26459.32925 48146.21599 167146.0052 383601.2225 37468.49274 86325.22515 159183.4539 65169.47512 53635.03601 93448.91228 43316.12604 8579.409339 47153.54314 180321.3223 67817.85794 101477.8795 54905.95061 83747.99262 205209.6548 395084.4256 12113.93034 3,4-Dihydroxybutyric acid 21805492.65 26013922.94 28619858.75 21370602.82 18537841.31 20937540.78 19786021.72 17939627.38 19916558.93 21852985.54 19965938.12 23201125.46 19999765.12 23206397.08 19889339.68 19406993.89 20559416.46 20684091.02 20536775.05 17553457.54 23059937.64 20457870.59 21622886.13 17792497.25 18392317.73 21762849.79 21538096.13 21662742.99 22625750.31 24176371.55 24491789.69 18996567.98 17634522.38 18579694.36 17222155.4 20700351.65 17696695.81 20569678.13 18160313.5 19150183.62 19474099.32 19107461 20992577.1 20705674.14 18938295.65 21353589.25 20108117.18 22689122.52 17809505.93 21368916.21 20572967.44 17703164.2 20690087.75 19135536.62 19929650.66 19688452.2 21525480.51 21346001.34 19857134.58 20404971.26 18706945.55 21309086.31 21497995.67 18269258.94 18885864.02 21768749.5 20901181.45 21988870.15 19031659.55 19537336.44 19102115.96 22941134.92 20662692.86 21934955.1 25261545.25 20686452.52 Iodide 1367861.021 1494636.046 1556809.824 3718487.916 5220562.077 4304435.743 3045347.851 2454406.742 3105225.298 4071233.745 4705626.614 3355788.213 2499703.531 4219743.823 2593756.695 1996218.419 2568395.682 3502651.2 2562365.262 2210417.49 2344545.767 2862232.921 1940158.141 2043542.042 2476955.863 2401646.079 1800766.769 1856654.365 2746730.192 3038444.753 3355995.044 7629860.178 1715979.801 1084952.657 1584889.44 1373557.551 2399553.842 3322681.56 1981579.141 3283610.702 2661561.959 2669831.884 2404670.477 2042880.57 3301281.921 3830537.281 3378444.844 2567414.646 2880184.587 2137324.913 2331912.649 2334975.744 3698042.71 4480593.574 2857987.445 1597365.903 2423373.332 2908971.16 2933172.124 3735826.993 2331313.794 2519520.539 1598758.289 3250479.019 1640975.676 2348375.872 1595825.89 1891388.267 1327716.423 1594853.183 1682268.1 1560247.467 2081940.424 2707132.019 2669967.046 3255468.947 3-Methyl-2-oxovaleric acid 155778731.1 141879218.6 196531126.7 149335697.8 106715807.3 131386879.4 125922737.6 140623484.1 142079299.6 127863214 109262790.5 149581653.4 133113480.3 134773987.2 130976126.2 151140690.1 122073590 133346415.1 113170403.6 139909323.4 188757236.6 114776556.2 133191516.8 162335672.8 158908517.3 116134045.4 150676916.7 193330769.8 198650805 133252720.4 129086862.3 196825169 104430123.5 92504249.61 66468720.57 157814987.5 126250393.2 111510846.5 129719940.7 115325575.7 142249533.8 98083323.9 132299227.8 172216176.4 146751844.1 117355890.3 111995408.1 168273064.5 152117483.1 172870451.9 149824984.7 192703874 123593887.3 96866311.92 110688767.9 140131702.3 137419832.9 109083782.7 117654882.3 160307923.3 179845840.2 130763815 122284132 157119480.9 163585408.3 117501097.3 158067518.2 182556198.8 145984288.9 112661793.7 171874009.4 190846457.1 143306339.4 135504465.6 109618638.3 124585757.9 4-Hydroxyproline 45861477.8 69847234.73 85540083.8 84525486.42 36073648.62 49455343.26 65646775.63 85833196.64 74866664.88 49047534.07 37435132.58 43368715.22 138508398.8 45057563.26 43090447.57 44714786.28 77924494.03 49406813.78 52481346.62 32852362.38 42251618.49 35356931.8 47996260.05 55029009.62 53786105.54 45982467.65 66657708.46 40757651.4 41663661.26 57378349.3 64222113.12 53837016.8 32778805.99 61891271.94 29569912.5 65213654.98 31819474.01 38659057.93 38001428.41 132429367 27989763.78 59076309.85 63159658.89 32448363.95 46524107.75 49552337.75 54149881.2 52951103.43 64269874.83 52417525.35 40914215.23 46592964.55 40577469.06 39255848.21 61210545.45 34217040.81 61923117.87 38454145.5 67136869.98 49093371.19 36512389.77 41604665.71 46531858.96 52134809.52 54351696.34 49187581.87 42583573.23 59726319.46 59182492.22 53088908.14 48385812.1 47237126.37 37496165.08 42315894.71 35285915.57 38425097.2 Glutaric acid 18135719.97 20680064.1 21182898.73 16033166.39 15075951.48 17535166.09 15512421.42 15102599.05 16538429.37 17320690.38 16224712.9 18609205.66 15954044.46 16152328.3 14641514.36 14779299.25 16633852.9 14761529.79 17241250.2 13593668.44 16443621.49 15625445.61 16128025.02 13955219.43 12283542.61 15161622.79 16239808.98 16888018.98 15382101.87 18546688.23 16926774.76 15118886.91 14800377.86 16598404.69 13081622.57 16233821.75 13584503.39 19610348.78 13802540.85 16623067.92 14069399.59 18347924.45 16437672.65 13772656.65 13569289.51 15829925.48 15481174.07 15411995.98 13058423.71 16404394.15 18036404.75 13378806.26 16910263.34 16675582.59 18428777.18 14314632.14 18872999.24 17474471.79 14488970.99 16785465.1 15100248.78 17040037.28 16469937.72 15687892.15 14781047.74 17768033.55 16713037.16 18143014.76 14228465.89 15254146.79 15039305.49 18053971.8 14960025.98 16890541.45 17318969.55 14434280.59 Methylsuccinic acid 18135719.97 20680064.1 21182898.73 16033166.39 15075951.48 17535166.09 15512421.42 15102599.05 16538429.37 17320690.38 16224712.9 18609205.66 15954044.46 16152328.3 14641514.36 14779299.25 16633852.9 14761529.79 17241250.2 13593668.44 16443621.49 15625445.61 16128025.02 13955219.43 12283542.61 15161622.79 16239808.98 16888018.98 15382101.87 18546688.23 16926774.76 15118886.91 14800377.86 16598404.69 13081622.57 16233821.75 13584503.39 19610348.78 13802540.85 16623067.92 14069399.59 18347924.45 16437672.65 13772656.65 13569289.51 15829925.48 15481174.07 15411995.98 13058423.71 16404394.15 18036404.75 13378806.26 16910263.34 16675582.59 18428777.18 14314632.14 18872999.24 17474471.79 14488970.99 16785465.1 15100248.78 17040037.28 16469937.72 15687892.15 14781047.74 17768033.55 16713037.16 18143014.76 14228465.89 15254146.79 15039305.49 18053971.8 14960025.98 16890541.45 17318969.55 14434280.59 3-Hydroxyhexanoic acid 6138788.229 11328473.77 6491654.73 6977766.451 4806387.336 6375008.276 4094968.17 4115960.685 5703352.992 8705263.677 5401081.571 5355191.376 5491819.823 6996415.419 5045084.052 5349694.536 4704648.2 5372288.964 3594074.518 4063045.536 6319935.45 6297035.267 4513541.522 4937381.108 5264776.645 5302232.305 4046440.273 5564699.021 8167186.16 8559035.497 5639730.266 7929830.33 5281620.792 5762816.272 3861880.244 6753335.267 4300414.644 6070552.428 5009088.402 4808430.219 7985909.994 7401111.75 5523899.382 6551715.087 4743190.184 6224590.048 4081969.655 4839705.637 7148783.619 10572231.74 7195559.321 7502992.242 5783968.094 6158860.543 4863675.94 6023357.198 7925676.435 8473854.075 6986855.728 7505959.341 7072440.819 8252576.986 5846550.03 5459255.671 8005012.84 8016590.487 6680680.605 7726821.503 6762478.587 7075223.534 5565083.668 9764867.908 4859319.702 7813935.548 4319780.615 4805668.619 Malic acid 89732177.9 240348287.3 94846339.31 103140816.3 86102204.82 174391441 63111520.44 83283994.45 75031231.73 142740913.7 68081026.1 64296340.91 79071415.21 143766089.2 83286414.02 86030698.77 73086788.82 113764477.7 67802145.24 66357340.67 118821097.8 123046546.9 66831370.87 81421514.28 84270135.28 85924548.78 64541032.68 93733191.54 140403848.3 129949589.1 82468916.02 115097394 92571101.41 147012479.8 82657015.08 85659625.11 71833389.93 121160324.6 59542023.16 64803394.87 85348456.46 114508802.7 62302272.99 82781255.83 71247472.68 93968771.78 54584149.86 65029095.19 99542116.45 137124360.1 73736265.06 104856611.8 68134230.74 96744092.92 60991270.56 73636907.31 124054916.9 152407840.8 88077560.4 116385617 71954906.37 97761665.1 57766842.65 64053054.2 83469326.69 101361007.6 76674682.03 88495648.58 83752000.79 98744685.84 66712088.43 76681554.05 73480888.36 95103916.21 55922047.95 60617633.83 Threonic acid 517381108 544891077.7 471260005.3 481133091.1 479644542.8 508333256.4 432523398.1 386728755.8 394557549.9 509399495.9 467869918.6 348514137.2 352319884.5 366525885.7 367482432.5 286700583 282748113.4 353006684.6 309538317.3 228552512.2 265951480.5 323760637.9 307599907.5 293445110.4 312553580.4 402508029.8 373150825.2 378720156.7 327155284.2 420184683.7 340788861.9 306391374.3 416217086 391535001.6 438147208.4 367069469.9 341605605.2 495361367.4 426730206 413465077.5 332320361.3 391404341.3 314346683.3 266158530.3 197276802 234980217.5 228640860.8 206676717.4 406043827.2 344175209.7 320745661.1 323163986 316738614.5 464404715.5 351422443.3 335115830.3 286749410.7 397910504.2 390153015.9 241017081 224623394.1 340760006.7 247123323.9 208022474.4 233247399.9 301628484.1 294049021.5 232770504.5 269948360.6 273528665.2 304292410.9 227285491.1 303897631.2 322017989.2 413313321.4 330591326.3 6-Oxopiperidine-2-carboxylic acid 5397915.407 6459306.536 6204634.294 4497894.245 4520392.762 5600709.581 5462361.848 4453371.731 4382442.502 5177142.702 4921974.558 4878739.245 5414746.2 6335590.76 5330008.598 4532677.383 5205837.375 4785659.902 5555442.448 3376834.016 5287481.905 5000442.82 4825293.719 4477699.281 4245582.723 5432540.027 4438627.005 5228402.207 4654241.649 5932937.54 5449838.655 5564760.059 5289342.469 5144723.175 5668697.332 5268507.843 4609534.304 6117082.418 4638852.676 5123774.954 5252429.678 5870551.453 5986747.545 5040801.458 5268356.318 5264639.566 5919157.681 5522272.36 5053524.52 5639646.797 4835268.164 5488142.857 5630838.706 5586967.118 5423720.238 3989928.71 6139564.99 5004043.519 6227508.148 4682482.038 5366482.919 5510580.6 4815924.002 4320102.375 4667722.824 6184589.3 6250964.699 5588362.409 5104624.796 5928246.492 4991672.896 5469100.555 5147269.537 5551376.49 5414532.056 5303908.202 3-Methylglutaconic acid 21222587.42 22009374.72 23187804.63 18493806.48 19715090.76 21229474.89 19175414.43 17923030.11 19820903.33 21103656.95 19308103.47 25669785.65 18770135.92 20583200.48 19390821.24 21718854.64 21382155.03 17789927.26 22651099.11 18944917.01 22417936.77 18824447.4 22530423.15 18907370.9 17739803.97 19378252.05 20574064.98 24058992.07 21094244.16 20305938.2 22556216.54 17656227.25 18485723.96 20372873.31 15131675.88 20308709.62 19444816.25 19852434.83 18685008 20358000.27 17128862.91 17801249.33 19260912.16 21146984.01 18238577.75 18138279.52 19979100.04 20026520.19 16542090.87 19185370.36 20215812.86 18632174.31 20817885.98 19425430.32 20545474.4 19134207.01 21867748.32 21620543.07 19279085.62 23913166.28 19793366.38 19424826.24 23518461.63 20834391.51 18492924.7 20224152.15 19179683.77 22784224.84 20963019.55 16274864.61 20188574.56 26463701.87 20028485.96 19840880.44 22077103.54 20472917.77 Oxoglutaric acid 19070844.81 30307378.51 23766032.97 24509648.25 24230820.73 27826838.05 16324160.09 20318853.94 21201904.13 27910628.04 21057237.85 14697316.93 19043138.8 24918753.43 17524207.78 15930865.6 16755959.11 22346356.51 16918128.39 14133718.8 21872415.36 22121683.19 17822438.19 17065343.61 18820624.59 17684231.94 16868638.38 20807405.68 23332769.16 25018021.36 18983448.86 18311103.25 20364682.17 24444180.75 20217525.16 19283128.65 15893928.67 22258492.16 15414392.92 15037221.46 18048113.1 19238941.02 15535827.36 15143484.54 14732239.86 18300589.65 13480737.45 16962974.53 23217395.84 24886837.46 18703051.22 20726342.18 15985202.73 20452500.41 15591893.15 18026163.34 23926512.08 25710664.86 20094302.29 21816077.01 18015291.32 20606157.88 17120327.54 13289468.4 20987748.68 25040076.21 20420381.26 20043322.28 21222106.2 19950049.4 18172948.31 18171299.26 18183160.85 21726992.19 17323275.39 17101468.99 2-Hydroxyglutaric acid 65750044.16 81892310.07 59364316.47 72597093.81 55991164.83 70725043.28 51869073.81 48901132.48 49108361.16 57764099.83 46388688.05 46029663.07 55396305.29 63860138.8 53207896.96 54515132.62 46220769.95 58455008.12 49248777.13 42678140.6 64640107.75 58171914.15 48539402.69 61446596 51675548.24 53508533.98 49140007.68 52175500.38 57388694.59 62396720.25 52803264.34 61311040.49 59151013.16 61047330.75 60999530.65 57137812.37 51577971.01 66790934.61 47236900.54 49203889.51 56398629.39 60155630.02 45625188.32 52825557.9 50326203.5 50373324.78 44335057.75 46128018.67 70025271.47 67169957.83 62208668.97 64317672.38 50970701.14 54614461.23 45094869.32 49303843.83 61324390.52 67813262.48 54024831.35 64179118.57 49958386.13 52725999.24 41808479.47 48180039.39 53387235.37 59219788.14 48678426.38 53884776.84 51695886.35 55555091.87 43970513.56 51391928.8 45152055.78 60556982.01 45090882.83 46576913.44 Ribose 22607464.7 25316886.91 34606940.94 21205821.59 19319788.87 20156388.74 23390651.23 15703690.94 22994874.74 30401110.17 24038367.35 16905428.79 18727595.81 24069011.72 27448372.03 17508880.27 19321753.57 26498509.85 26102672.75 14355277.37 20592182.42 27044140.01 30599666 20919848.34 14300324.2 16752962.3 20075919.14 13349378.62 16310512.04 18670172.12 21000030.91 17286444.17 22124386.56 20058053.83 31924626.66 17178951.93 16136412.91 21485084.87 20002978.63 14677524.55 24402466.45 30330188.01 25777148.76 16040558.73 21741154.08 26229239.05 28991497.75 22751792.31 20357787.57 22292484.26 21083531.83 18133213.85 23530873.72 29938206.63 26160584.45 17104607.8 22159071.01 34008236.88 29241325.21 19994469.26 17948344.81 24496597.67 21401937.09 17420625.92 19079711.9 26086348.43 25165958.47 16307614.8 22517580.54 27148536.57 28273512.92 16868254.69 22397218.67 32554702.65 31049352.06 21680874.54 Imidazolelactic acid 10902795.11 16436886.7 10263752.4 11874531.39 8252868.154 9888130.148 8148563.25 5855680.165 8065204.451 12785810.14 8550093.262 7656788.907 7438333.492 10640392.72 7743673.528 7410365.297 7051806.688 10660588.6 7095886.792 5014772.242 9844000.48 11937843.09 9025854.868 8682092.201 4703515.031 5149115.01 4607990.216 4159756.889 13479546.69 17998560.53 12069220.18 12150288.46 7221270.354 7590401.29 8683731.208 7255573.549 5118281.648 7976112.436 5874432.881 5258581.039 9477293.774 11231583.2 8442797.653 8812536.601 10241250.55 10114357.04 9997952.606 8957679.987 16588032.95 22603258.62 15284569.6 14331951.35 5863254.629 7702701.225 6999337.964 5752060.054 8518620.98 9955915.37 8283276.246 6550460.893 10478488.24 12169384.74 9257746.514 8999219.898 7675018.187 10851191.42 9988554.22 8720905.336 10801958.16 14321331.86 11914967.31 10175005.66 9525702.107 9175193.472 9709066.547 8754381.322 Allantoin 481998.1585 833715.441 1126489.948 1201370.99 545572.4404 384972.9876 215326.108 309142.7794 1127486.782 1172202.895 1267655.479 863471.0925 448148.7347 814861.4918 877604.0385 508935.3656 982256.5862 1322130.449 977392.8119 569152.7958 1036753.63 1266104.35 660797.011 717393.0971 218515.8012 442923.7596 562559.8015 772821.5112 780044.861 1074053.689 1270290.098 626583.3057 449262.7673 624989.8254 1278867.292 445730.0616 459316.8791 1197182.76 599874.7873 572934.2816 553737.8826 816240.3652 767386.2587 526803.7318 656620.3041 1106820.458 773320.4163 711492.6948 907198.1469 957916.4196 818319.945 524439.1074 583573.872 1292131.849 919819.6222 561776.6444 859698.8371 961535.3218 1109393.755 581551.0284 628588.8487 769892.9239 693126.0845 415687.9901 388985.1811 875756.4858 887413.7019 431906.9252 666925.5044 583193.1888 739770.6531 358251.6665 924366.1614 1209188.75 1143764.502 268191.6112 Valerylglycine 283089.8926 276496.8474 3342.778539 272016.0026 99322.82056 45040.16364 116596.9474 3812.432363 191922.1483 158339.2991 158066.6196 107778.753 127536.9132 184858.7597 370951.5379 114316.0566 114410.1051 51557.06099 149941.0687 51352.8707 217014.018 244388.7995 254723.2186 157979.799 176325.4402 127445.357 244698.9575 248511.5741 79184.01636 134464.3318 96339.83805 229226.3104 177745.9453 133001.4157 179469.9339 160361.7688 382113.1139 126816.8722 141018.83 333176.4616 188216.9433 183969.1213 185038.95 60935.15656 213858.0601 318037.3438 156873.9629 332392.3776 311954.3162 210315.0001 182169.2711 184277.6974 117081.0311 238500.9954 132154.6119 154946.596 207292.1958 271800.9129 280942.9301 332024.2845 125831.1949 215902.6025 67445.48182 182169.4694 122902.0967 181366.7476 6461.336614 47957.60491 51315.25397 14897.23412 3634.081024 148651.0992 173120.4059 57651.96951 211501.0591 95664.34246 3-Hydroxyoctanoic acid(FFA(8:0-OH) 656751.8524 1181227.076 1111022.678 1538523.191 878240.1758 1051121.945 811930.8979 946794.8133 1052160.672 1296935.316 835550.9397 1586963.918 671820.7014 955813.3198 552892.1979 853717.0661 816501.5165 1288090.602 1850112.225 854576.2779 836599.4112 1043027.836 996196.6271 1027025.85 685397.0445 795880.8617 787940.2927 588369.217 1406532.199 1808745.84 1835827.405 2194353.372 1126875.701 1100046.179 1321956.468 745677.7059 955635.1121 1239265.53 970761.8968 1463824.826 1846255.37 1520526.237 1258263.121 1007171.459 1472737.347 1868240.641 1624010.347 1864952.467 498064.0165 745506.1057 722689.0321 544157.9835 812380.2158 992743.5503 770935.6082 649144.511 740304.3756 1042503.216 921876.9395 1220503.147 317624.2485 705753.4989 568102.2242 784825.7208 623813.9974 800172.8582 402821.1328 1187612.864 737531.3176 1027093.764 900706.442 1588561.067 1217172.915 1271903.856 1369788.321 2717550.157 Aminoadipic acid 16555783.05 30372568.47 29680785.22 30732731.46 12779123.12 20204619.36 29677152.02 30337763.25 32939153.06 21626237.14 15899273.22 19927816.04 53664109.92 21612808.63 20192581.31 18932988.68 36917370.69 20706498.31 21002871.29 12824824.89 18285630.63 17068363.5 17059118.81 18157697.37 21474518.02 21276696.23 25618665.88 19975737.31 15259353.28 23901414.33 20928359.69 20081311.69 19567172.56 36211155.21 15333336.93 21848887.79 11724097.76 23520796.02 20467189.39 44311723.58 15618025.4 31416676.33 32185054.74 17193243.47 21169716.58 23880190.93 25307682.98 20473382.94 34818393.8 24902477.52 16786819.71 24078270.77 16237298.96 19990959.88 27214778.27 12317918.54 21228825.19 19131026.81 35951268.84 15092052.57 19965104.37 20277246.41 21291487.14 18500736.12 23510079.37 18282646.68 20204433.21 19924441.28 31975244.77 23262112.43 19961718.03 20895664.75 18964105.71 19218864.6 16426243.79 17947602.69 N-Acetylthreonine 16555783.05 30372568.47 29680785.22 30732731.46 12779123.12 20204619.36 29677152.02 30337763.25 32939153.06 21626237.14 15899273.22 19927816.04 53664109.92 21612808.63 20192581.31 18932988.68 36917370.69 20706498.31 21002871.29 12824824.89 18285630.63 17068363.5 17059118.81 18157697.37 21474518.02 21276696.23 25618665.88 19975737.31 15259353.28 23901414.33 20928359.69 20081311.69 19567172.56 36211155.21 15333336.93 21848887.79 11724097.76 23520796.02 20467189.39 44311723.58 15618025.4 31416676.33 32185054.74 17193243.47 21169716.58 23880190.93 25307682.98 20473382.94 34818393.8 24902477.52 16786819.71 24078270.77 16237298.96 19990959.88 27214778.27 12317918.54 21228825.19 19131026.81 35951268.84 15092052.57 19965104.37 20277246.41 21291487.14 18500736.12 23510079.37 18282646.68 20204433.21 19924441.28 31975244.77 23262112.43 19961718.03 20895664.75 18964105.71 19218864.6 16426243.79 17947602.69 3-Hydroxymethylglutaric acid 76271186.15 83413681.63 87878852.25 72200945.93 72239375.94 73003662.17 67183043.9 71417882.88 74858757.81 78637364.23 68629341.78 95574848.28 68128628.14 72379159.47 70490828.96 77811820.55 80896433.33 63360102.21 80392283.05 65296544.54 90358371.05 67576052.06 80461629.78 70185648.34 56018136.76 64210049.82 72408099.36 88869156.27 83462789.4 73381688.37 82755479.86 65926573.46 69198852.29 75580013.21 55357147.55 71750435.06 72311923.61 77714140.14 76400882.51 74840678.86 64434629.91 70670467.57 77021744.1 76647258.14 61010477.59 68349482.48 74350797.04 74715261.21 58615050.37 76191134.71 72483409.81 67999372.5 75785169.71 68310983.39 73304776.04 65570296.28 76230675.9 80332318.18 69480870.95 86711627.49 73103382.36 73165205.72 86140334 77025921.1 65910852.45 77340509.96 72858267.56 91214600.03 77020603.99 64939921.92 76756828.67 100586501.9 70647583.81 76770054.52 82326255.08 73833476.33 Acesulfame 2360854.991 2246097.128 326184.6198 21311364.41 0.905845232 1.051147941 1.095232461 97469.74632 572231.3197 220999831.4 64002701.85 1363130.487 38947241.85 19824660.83 3312675.161 1283146.168 44842473.18 26843480.62 7981741.256 6560193.522 90165930.43 61402190.67 20906101.47 17748147.34 35102473.18 109254248.5 108366859.1 26881299.81 6162154.259 5075410.138 1363880.636 1.035312251 0.943671513 50124714.24 24070996.26 15465694.71 954919.5007 554941.7658 59302737.38 1178703.318 3505292.932 1854636.168 391081.2965 4031142.674 640641.3234 770001.8127 3100883.169 60645.7556 21697968.12 22240809.85 5368808.648 0.96475279 286246.6692 148089.5312 40260.81621 27540251.24 50111579.45 125060614.2 32355562.09 155036.6359 3634137.612 3124781.543 1180332.11 9580739.828 12240705.4 14710663.51 2728640.54 1.048595256 0.956588198 1.028062917 8775908.251 6775510.604 0.965400328 14664.08335 1.09910971 37989040.4 1,5-Anhydrosorbitol 852802165.2 908132391.2 860379313.4 654368111.9 528618978.7 662150233.7 671660604.6 489048079.5 484884413.3 503317699.2 514790691.1 581008989.5 602405114.4 575089778 490030475.4 481904623.7 542486980.9 439578301.4 558732792.4 409282335.8 408616979.7 402610511.6 408951038 375171402.9 281253275.4 382917511.7 364251909.9 295360205.3 323000102.1 415225523.2 399544009.8 406965468.8 451872585.8 440322836.5 562708508.1 560169679.3 375851373.8 506560105.6 380163657.2 501672785.2 391778958.1 408456250.4 377331696 297773702.5 585522677.9 479134388 605621091.9 588976119 482209920.8 610738001.8 601795459.1 475329490.5 562015311.2 474646803.5 564216068.1 436430138.5 780160719.3 651630466.8 810834216.4 605272631.4 447750246.1 584659067.1 443784920.7 421936140.7 372878574 503951448.5 491741998.7 482834662.6 364203866.2 479564412.2 368595829.4 456548239.8 476916478 472164634.8 608432314.7 474305827.4 Ribonic acid+Xylonate 128451002.7 193893305.3 175566716.9 131553921.1 129444718.7 152286820.6 135467580.7 88061435.76 96628659.39 138343210.5 127583482.4 109767035.8 86537836.75 102653763.4 100564165.7 68550630.54 69359047.39 100830979.2 120334443 54736495.75 95427243.74 123528905.6 115343109.2 89891322.16 66066494.81 104203866.4 120452888.3 88750507.21 78682546.84 138114184.8 119638862.3 92964823.77 112281723.1 113700201.4 182234543.3 101369227 88502325.58 165902451.8 108179769.9 129964147 117179607.6 165529179.6 115668072.4 77205310.01 76573645.27 85482668.43 91033044.42 83359371.69 87806465.58 118154744 110863009.6 93486291.01 104936847.1 128359785 138653907.6 82186329.4 80381950.03 117128568 124798505 71490802.11 65187562.87 126156057.2 84672075.95 71112753.16 62500132.26 111714713.2 108910944.3 66186051.13 76181360.87 127276529.4 104271171.2 71377654.78 92798728.96 130495497.6 144935401.3 118334590.8 Desaminotyrosine 3593.676773 33591.32118 10621.14257 28828.21651 12452.80932 16310.18836 20671.22909 7682.483334 9566.425111 36208.70061 12734.12152 78244.97772 14736.37489 25000.84017 14745.61535 7201.338374 30399.0593 169612.7749 15722.33791 15128.14775 18528.13138 29416.1483 119055.6896 14100.73604 22551.13349 34517.42309 14996.69192 95122.0814 39275.30796 20695.71718 223182.0869 53090.23008 26074.33962 56519.72496 12030.48853 53260.93545 38417.12116 75891.47843 59750.78703 31961.82217 10506.09927 22403.06694 45159.65342 60517.05305 31328.70921 30660.51519 8387.466942 8533.063586 14112.13771 14604.49676 51273.26334 22871.37387 13690.4379 26908.32015 12616.42547 35846.1757 20442.64687 50073.7012 37183.98619 21061.51044 26437.12981 21021.76467 15544.85893 69130.48076 18118.64889 18596.97899 30916.67602 16371.49862 72729.98387 25348.39499 8330.208154 10638.51423 15602.79866 70933.95552 69762.25473 71341.3343 Phenyllactic acid 117662.5736 48488.93437 79727.26221 92564.10762 56228.38534 40133.11755 78997.4777 46100.97249 68485.43092 135029.4348 81936.48057 42725.11427 38988.56849 26048.51139 39384.2421 56602.07124 20396.131 59912.36607 11545.31402 36228.18998 48701.53015 52033.68622 113392.8749 119940.4773 74116.52933 67582.94763 79594.61681 44288.96391 49236.58998 35707.56422 52627.6745 38577.572 43068.37119 96840.32748 19418.84456 8335.208389 167966.9171 15834.99884 58336.44217 95283.31971 51509.04037 115149.1277 90043.05626 83709.38907 41156.51003 218902.2772 278850.6533 50347.11955 45268.05069 47558.79279 46042.89168 86798.25273 55103.6307 89961.79234 58842.27997 84399.20946 157482.6093 107103.8785 67999.88603 9510.461638 50832.32314 90199.66962 38881.58201 161945.6794 39640.16186 35358.04402 106647.6425 71339.79928 72855.41077 12530.09019 102646.7237 76715.25495 75838.64115 44213.06808 43648.427 41308.61443 N-Acetyltaurine 3934656.252 12991826.41 8160481.847 7153525.872 4750892.461 9258611.332 7588957.328 8638517.375 9314107.567 9008713.537 5820664.27 4658372.039 10291733.98 4528730.21 4760927 4441919.513 6355656.48 5805870.18 3229363.599 3966248.053 4983606.706 4983186.312 4651436.26 4493273.773 4126406.566 5496159.651 3790081.804 3529244.011 4300859.392 7456954.701 5029986.093 3052779.148 5186496.664 9515763.291 4179457.422 5709597.42 2090365.59 6100761.077 4920975.004 9147869.306 2783531.431 9312528.622 7016428.129 6620037.972 4147279.258 5310375.523 6899421.418 4853640.951 9168385.626 8068846.413 5527533.205 5849651.291 4809166.955 6779483.883 6370153.491 3809772.21 8050625.778 7766880.279 16339050.7 4467690.307 5165026.649 7352895.643 5800183.804 3939541.306 5781895.784 4296786.162 5166661.686 4142374.057 7042825.357 8517760.062 5219431.385 6553629.234 4647739.995 5358973.324 5360014.639 4748112.805 9-Decenoic acid(FFA(10:1n1) 4752355.437 21379480.05 9208739.658 7126019.438 2134235.609 5062755.204 1266926.048 3082398.779 1187612.888 3593194.044 8236413.238 3806832.233 1918283.881 5603524.022 704845.2738 2529355.574 3356727.652 21897230.66 3648281.68 2981137.582 5912471.667 9391158.494 3877247.414 3927005.42 1945505.272 4268681.538 1969844.61 2727481.313 3532598.67 13949953.77 1165233.779 3228116.503 3887830.446 10939228.64 869862.9199 4244751.121 2724493.404 8414661.229 3765003.685 1892790.231 1260674.251 6929091.092 1196554.452 4287961.35 1238461.017 1968760.959 2135173.39 4374024.521 9922708.639 20024679.84 2740308.103 6463439.157 1368866.946 5802179.746 1364724.952 4209479.731 6180233.076 20480312.53 10666842.34 6753015.892 2011033.098 6732357.538 2988938.105 2380384.589 3168868.232 5587201.52 1386870.099 2704226.241 6173002.69 5243953.694 7107446.295 7140547.043 3095539.114 8910258.582 2277923.258 4258105.483 Hexanoylglycine 78872.16473 80759.52656 57133.70903 86826.48828 15079.98377 145803.7359 172315.5236 124798.2725 21994.36709 18129.62106 8594.126462 17202.74585 19390.34198 110958.6152 4131.98663 8275.177737 142795.6649 70894.35621 26321.25993 54025.49375 102755.9756 90573.55828 11694.22228 43052.94256 18855.68222 24774.43612 27766.22512 95600.39686 49980.14985 90075.66343 90111.97659 94087.43239 23197.05568 20297.23459 56576.6217 103161.7273 26580.18993 91470.70492 20310.98589 103694.0545 114254.0341 83138.97859 65974.59527 56021.95775 47281.27237 24453.69995 90599.07467 113342.359 119427.0015 32518.20597 62263.89336 97098.15546 121524.5245 85843.69673 86083.02126 19970.15696 48873.81996 47914.87921 106207.0384 11597.59346 134199.3373 78859.26791 81554.64129 54822.49482 93386.31449 62367.98657 99959.39169 26711.29498 35834.42996 89103.32446 29269.83568 91298.69555 73495.06694 32821.06671 109611.167 38288.49195 cis-Aconitic acid 233997817.2 418071419.1 255476090 250034163.8 237043824.2 345761678.8 212715211.9 185895130.9 217922435.3 325727607.7 221147700.2 169610965.7 264636886 384569729.8 264519267.4 280758264.6 190122244.7 388458117.7 260977338.4 228482048.8 309380535.7 339105316.8 252757053.7 239615379.6 275085275.7 313865951.3 232670423.4 298296215.7 342300582.7 406645074.1 291815163.9 189303949.7 251552461.9 339420471 273431591.1 252518353 238258260.5 350247923.5 227755164.8 164242717.7 232193601.8 309421342.9 147062984.7 225749864.5 238993568.4 312224368.4 248839481.4 207204914.2 251174318.5 326963861.8 239897326.4 251640866.9 223190630.9 308274292.8 209520807.2 212048698.6 185328789.5 260160995 256888776.5 269212721.8 218920950.3 304823816.8 199815692.7 183455388.6 253236590.5 308369323.2 244815270.7 236594824.7 247320406.9 219698557.7 234237607.4 250462076 291169185.5 352655801 220778606.1 209741683.1 Formiminoglutamic acid 4483169.879 6605081.572 5995374.383 5644940.778 4338137.623 3909753.335 5640403.52 4157964.349 5740785.843 6367593.442 4640865.408 3280134.975 8057157.885 5192263.499 6397927.429 3206703.686 5773572.557 5101819.276 4526624.608 2297457.558 4055379.822 5102482.161 4531669.963 3555932.638 3195780.854 3373951.163 3444449.307 3346048.074 4234039.471 5755145.25 4576531.426 4576773.075 3403787.987 4222652.273 4374913.209 3627579.691 3187531.734 4956061.216 4726605.03 6403707.889 4611671.805 6093264.859 5886090.256 4310593.58 4867043.246 5446164.357 5870256.446 3532475.768 7091029.715 5451297.574 4521960.189 4133285.698 3376088.142 4858999.92 4675525.331 2428119.886 3376136.426 4904749.244 6345208.824 3604181.19 4407679.288 5614365.473 4802338.101 3147432.04 4525831.141 6556305.215 5683505.887 4507016.94 4879199.94 4610351.142 3413127.999 4496721.574 3592704.159 3758698.839 3830029.169 3957714.879 Suberic acid(FFA(8:0-DC) 3572339.918 3806825.776 4194908.818 3059600.805 2806634.136 3278986.933 3070966.565 2872949.737 3041480.395 3145122.454 3190785.51 3397839.395 2791614.688 3749389.203 3170826.276 2946066.771 3226710.127 3262736.816 3240483.082 2991919.456 2923946.436 2953516.311 2944976.961 2826857.035 2747018.452 3366279.948 3570870.896 2450410.76 2348832.486 3806848.968 3251803.899 3149458.202 2732487.835 2612260.5 3559214.109 3487177.078 2857762.606 3335671.761 3138995.761 3355958.495 3427538.993 3764617.87 3870028.454 3225175.085 2930291.176 3789089.291 3401151.496 2855411.406 2783406.793 3791055.753 3639670.573 2850161.483 3680409.762 3274703.884 3830366.29 2824165.166 3195341.952 3391496.85 3298376.548 2865029.018 2387203.966 3673306.595 2513604.377 2689372.194 2614644.277 3968024.987 2627666.439 3385035.44 2636821.936 3826326.04 2699035.334 3525217.305 2984410.637 3007003.894 3089879.309 2903095.313 N5-Acetylornithine 3574237.794 4606261.652 6129043.409 3960200.96 2829152.987 3207941.604 4667276.428 3614380.472 5305837.209 4619650.682 4095744.81 4821628.326 4708290.343 2901808.416 3789767.15 2828748.621 3374695.332 4208916.735 5238994.177 2310870.78 3932708.224 3340143.127 3372617.02 2779608.955 2972875.396 4905096.652 6395306.33 4216270.746 3033722.676 4347697.006 4786876.734 3479251.972 3039101.557 3760424.42 3985323.179 4066504.122 2735231.27 4260504.867 4203781.453 5205457.825 2351108.095 3423038.545 4731673.323 2193998.541 4449667.108 4376452.383 4842092.699 5217468.106 4436473.62 4466020.062 4437352.794 3868537.211 4263791.776 3871905.06 7062597.139 3108997.266 3690596.834 3312836.698 5101357.792 3071435.862 3274306.949 3577634.867 3745968.486 3626676.341 2967256.52 3581024.241 4408142.813 3208587.799 3783517.16 3754750.434 3735830.341 4699087.54 3128316.961 3150852.451 2790637.489 3543969.719 3-Hydroxypyridine sulfate 91243.06983 102802.4592 94945.21766 25121.95314 389970.8473 547281.4342 507783.2882 437905.4569 1052319.565 608631.1776 62118.10319 336228.2175 337919.6313 408255.501 89876.59796 0.999094671 622628.3911 219936.8919 286933.1221 21003.34757 233960.6847 127888.1999 225939.0894 36569.23161 22188.98816 0.982182359 174717.5463 0.995623911 24191.94794 0.95804976 218927.907 252788.1642 26090.94437 1.014074325 434696.6469 61746.45714 55593.67167 215115.3947 39744.98722 48923.66243 251885.3979 192430.5267 181725.1612 53324.07368 204386.9962 300326.7645 258581.3613 469226.081 269713.4255 301817.8219 363646.2631 131809.0936 519402.8457 26025.68167 510113.6223 349253.6165 426395.1273 277185.2621 82188.98402 217170.5322 23096.60055 30548.38433 24567.94455 66218.4585 1.020304502 0.97332536 46362.19793 83075.31331 27749.03134 218675.0269 1.000012896 300864.0758 0.991582899 104595.5622 108843.7567 156251.0648 N-Acetyl-L-aspartic acid 28400245.61 27101664.12 29092410.46 25107390.02 32493316.27 33049314.27 27736179.66 27492414.66 20936514.99 29812515.84 26882632.58 26306727.8 26889973.53 27052531.87 30552367.4 27028486.62 20069376.45 26314488.94 28116559.34 22726774.73 27810080.91 32441311.42 26339180.62 27592990 22365544.25 27247564.91 30800279.75 24539443.9 24993724.28 27765310.09 27797725.98 23912142.21 32267068.82 25787073.33 30718787.2 26921788.26 26402060.8 31324892.22 23045923.04 22467322.97 27469703.48 31687749.11 29401737.49 26458036.82 27050622.65 28771187.65 29833661.3 31912809.14 29047960.59 34037197.37 32072776.12 24328610.57 23246506.23 33696493.35 25211371.43 28961676.27 25807949.8 28326569.34 24441908.96 23754630.72 21361280.67 25902596.81 21637755.53 21234432.28 23649538.57 30893562.17 30975868.05 28550264.44 23585189.2 26432823.49 27621218.25 25371990.16 22343268.08 23730440.09 28473461.02 24759196.61 Ascorbic acid 9041924.857 36492174.54 70214121.5 93462433.22 60317958.22 65064342.18 46770546.09 94072755.31 264451730.5 147742552.5 83880677.7 58231895.32 207880811.7 144214381.3 62383344.31 34303695.21 94083544.39 78835780.72 71931285.2 35622760.56 56925322.7 53167177.69 101459632.1 72245397.45 95541145.59 52730367.88 81051278.64 109657684.8 56210786.31 62378996.94 53496216.24 45622930.66 15942405.96 107821638.8 33517710.64 48458493.38 23906836.5 48075068.69 20667940.64 128070926.4 13629024.65 49257124.13 77420710.48 21034838.87 25328371.42 43781464.5 15628630.95 20160085.24 78891129.52 49342947.09 53377291.71 43941316.82 37267782.43 62109970.15 83779276.34 90885507.78 97448457.1 58759288.4 147636712.3 119558247.6 33948423.75 51352704.79 37421210.63 54010977.98 90373927.23 100825181 77209305.4 98308002.98 53804091.24 63517187.93 35316305.35 31531105.78 27271882.97 48747924.02 40751729.77 26551195.09 N-Formyl-L-methionine 777513.3298 1453033.14 911911.8322 912210.3205 551443.8594 783128.2495 478810.671 507195.0831 539949.2687 618481.5296 325154.7556 511186.9564 436698.6562 689364.9831 876174.9115 449492.9945 356862.6683 548776.138 494753.1618 313816.336 552651.8775 573782.4417 523586.8028 592815.5205 366272.2309 348732.9067 365672.5677 319679.518 427994.3934 535739.2659 387566.3304 352073.9712 511455.6295 570982.1524 350601.5483 423557.1131 678484.8075 627932.1769 455735.476 351929.74 1441363.426 2105187.435 1489805.506 1363240.411 507102.6658 807506.2121 481794.9413 381073.081 415004.0341 898610.0326 630477.701 498907.1347 510924.0815 667795.3594 695725.8198 809833.8933 642404.2097 709444.1832 355519.823 409465.2297 335386.6664 451964.2328 435582.3154 373041.3371 620024.1652 808364.7137 506220.1184 704137.0803 459380.2571 691552.6848 348682.0693 571678.3427 401139.8309 761182.3804 515482.7581 558696.8254 2,3-Dihydroxy-5-methylthio-4-pentenoic acid(DMTPA) 9469506.343 23513806.71 15492167.05 5723003.002 4567315.014 11398399.46 7404148.126 3519920.376 4227534.284 7883310.481 5689574.753 5583101.835 5392777.932 8541138.944 4241121.948 3652226.525 6502628.912 6286319.687 8110782.128 4428698.081 4959735.849 7214447.014 5640190.183 4154675.866 3909151.648 10008621.32 7069985.476 4157144.063 6643935.014 17556246.06 12520292.54 8111599.804 4629097.442 8031742.24 6385131.677 7565392.945 3651497.688 9673980.476 4013282.559 5069519.8 7199530.295 13122234.43 8610690.945 4589908.588 7789357.974 9619410.577 9891998.234 8706315.06 3899906.548 11092070.82 7255771.019 4259304.252 7207064.905 6844850.73 8098731.701 3979095.447 8294056.766 9062596.341 9206159.587 4672544.796 5631341.879 12838698.81 5645912.839 4478580.106 4079799.805 10522445.45 7875388.012 5671170.629 3727214.115 7708260.677 3831933.539 7001987.76 4503964.006 9430017.263 8989407.721 5422914.58 Gluconolactone 9256217.299 14438187.93 12799491.47 9469884.657 8163009.295 10054776.15 9222348.137 8140899.061 9196291.951 12922182.3 9748997.484 7291392.696 8298526.422 9584935.906 7107859.215 6873132.032 9369512.974 11318407.34 7687197.477 5330728.36 7413023.465 10368168.24 8384670.096 7426980.955 4515118.087 6344871.686 6143982.653 4582579.25 5965600.476 8344462.235 7867063.337 7758216.93 7124218.657 9575631.094 10197832.75 7099476.376 6145444.276 10868899.08 7710078.418 9032310.421 7590495.508 12421708.96 8506911.968 6267393.299 6911487.769 11003208 9989179.138 7521473.249 7371501.83 10083053.77 8255571.615 6525310.79 8553029.538 9998904.308 8967378.995 6593616.468 8635610.302 13667173.71 10457675.51 7628084.07 6229642.583 9671323.929 7286106.266 6085514.924 7297850.966 11703190.31 7835584.788 6632057.205 9042493.631 11927892.3 9259849.834 7381305.843 6920027.925 11575163.9 11712946.11 6726842.098 Aspirin 2060704.838 3876246.1 3613455.395 980755.7649 421179.1818 3429895.678 2703392.713 2930473.599 2001487.629 3108092.352 1375204.267 2063233.421 1888291.347 3070852.175 1824773.118 1996663.972 1930151.257 4255864.381 2221873.722 1937513.063 3222428.343 1203594.529 1733824.851 303888.6649 1739006.628 2436676.664 1646710.224 1507120.953 1740136.839 4196970.176 1845909.285 1577851.891 2785161.754 2652516.313 1019402.589 3595746.465 1389350.958 3600504.046 4193574.545 1695100.449 2349716.96 4059758.371 1381439.91 1817793.462 2628728.698 3494212.396 2338144.173 3596245.182 2830425.87 3245153.75 2248156.176 2145432.845 1621711.514 217957.314 1412556.841 1207144.697 2179154.487 3622506.198 4120734.005 2211720.037 2405649.169 3216351.536 4324649.985 1967987.892 2340713.854 3555682.658 1168805.843 1960047.64 2146810.553 3310686.779 1237239.522 2103185.085 2603071.988 3837085.738 2183760.445 3128697.64 Glucose+myo-Inositol 154001502.8 210198728.7 223105910 138720950.8 152400832.9 174832803.4 157657612.3 137722311.5 144385443 203969372.1 155684800.3 168361238.4 143312221.6 192806911.2 163522735.8 144400638.3 169630522.4 232362766.2 204228981.9 135057703.7 171186057.9 198493809.7 190991601.9 152193285.3 121597279.8 153909950.3 155863865.6 154517156.7 149779984.9 169450066 173795559 137627812.4 137938244.4 145522037.5 152654493.3 148356617.5 146651889.5 193723848.9 155065833.9 138724284 163600422.3 221372848.9 177888521.9 146835792.2 144234105 165705219.9 171652864.9 157057379.7 123137041 170242863.3 159397501.8 125384240.9 177286178.2 187981094.6 184509985.8 148977117.4 168573761.9 232452081.9 174650324.7 158829735 134517498.9 159379967.8 161368755 136862323.1 145553049.7 205078478.6 168567874.5 157598343.1 158943036.2 219197721.3 177389755.8 177841338.7 150042929.7 216921245.3 197466496.9 143567148.3 Paraxanthine 8731939.718 9368063.233 13150849.95 13996133.77 12746838.93 17762131.27 20278450.76 6758534.309 5779777.123 6135924.9 13486654.49 20113059.15 3101549.559 3110772.117 4759837.09 6255852.493 899710.2626 1041472.713 945379.0341 893191.9052 525095.4702 265109.9737 6517132.87 12411597.52 6365473.901 6066567.302 5097991.59 8929355.528 22535513.47 26137471.8 27504335.82 51970421.65 15997429.23 12517321.65 18585460.99 36480191.03 7512730.332 7770993.419 6100421.268 11744786.8 7456493.449 8174993.009 5079349.075 1816951.892 4427780.648 3844602.777 3777446.693 1218060.885 797253.4803 784459.068 836943.9793 4782054.88 4463144.441 3056809.309 2796006.394 991387.5987 9910365.952 11554089.88 15775265.3 13084823.99 10427410.14 12302382.35 10876066.82 18608163.97 3219781.337 1934660.236 1942744.169 930478.5608 7540532.161 8625690.384 6262681.522 4495322.365 17089198.24 17175797.89 20733101.44 34505041.1 Mannitol+Sorbitol 1292384.28 5373066.199 3441319.578 1215626.884 563519.5289 1360744.04 1646999.94 1702485.066 875838.7196 1832712.664 2014339.927 663517.6632 582585.3003 1212261.371 1540272.782 424035.6315 723288.2229 1044186.763 15771715.01 215267.6709 1016560.819 7869060.649 2211257.568 742587.1039 481094.6205 777103.0976 711723.9156 183325.4859 1350059.243 4174842.267 2259310.361 1377150.06 1147878.584 1107191.033 2554962.742 716930.7184 2402464.462 4290791.325 1448027.844 589157.5746 3263732.643 5791963.806 1635347.403 689989.7757 2006348.282 3858491.08 2297865.334 744691.772 804669.1613 2704930.046 5145598.886 720039.4363 1536809.818 2598464.163 1589462.756 594943.8503 690235.5128 1501895.795 788828.5305 596104.9795 821104.8818 1406949.632 1220706.428 582295.7712 1318607.523 3539161.46 1281787.224 558825.3906 2074433.06 9894766.338 1516324.491 586902.5253 2647754.616 11318937.55 3782104.065 14471210.23 Azelaic acid(FFA(9:0-DC) 4411092.509 5130451.851 5775195.228 3813342.954 4483074.301 5714974.619 4639168.794 6016864.31 5274556.663 4235198.832 4306775.028 4994719.341 5072623.362 5041326.549 4508505.881 3724917.419 5184866.437 4451923.683 4742057.895 4031365.078 4669413.699 5779274.031 3955375.651 3946491.656 4300787.957 4882931.755 4163596.212 4147884.491 4410266.102 5297944.284 4505645.462 5085344.843 3448539.762 3773269.395 4686265.851 4990912.904 3867461.745 5112116.239 3952898.473 5003167.048 4450249.934 5780144.995 5133560.573 5064603.131 4144280.427 4652626.589 5417861.64 4608757.627 3760572.696 5219194.026 5625525.051 3851515.733 5565601.778 4855923.812 4734831.074 4900143.701 4499499.377 4822355.471 4743458.623 4716893.083 3974594.215 5262645.226 3970744.739 4404253.9 4390862.358 5955150.893 4640239.544 5077311.458 4462794.289 5361833.835 3758401.981 5496699.833 4376060.751 4452954.616 4387544.469 4158337.932 3-Hydroxycapric acid(FFA(10:0-OH) 3323280.846 6176917.582 5869246.783 6200221.097 6891491.912 5609660.42 4959669.955 9755519.896 5942040.956 5543138.196 5724454.261 6793503.107 6697558.987 12441251.29 2702398.134 5387919.645 6121762.335 6461997.816 4235131.054 3345781.041 6294601.296 6958185.142 3873514.578 5795904.434 4831646.928 6891796.87 4644825.123 4593601.41 3352436.875 8264774.27 4768339.687 9721551.935 2618483.056 4533363.786 4404390.776 3733493.896 5829276.44 8205923.969 3983126.812 9340919.939 8470577.192 10285356.66 3996153.031 7197818.251 7580203.655 6554035.589 6120536.364 7289956.792 3232217.789 5506761.119 4908843.269 3813697.537 4994715.171 3771661.378 2954676.634 5349603.831 3559524.61 5418120.277 3992626.559 8359300.267 2788674.338 4428158.665 2630934.803 4915227.056 3495333.525 7247136.611 2676679.819 7431436.796 3859481.314 5682943.079 3470959.806 25343182.01 3850467.512 7016427.596 4543741.487 7703237.463 2-O-Methylascorbic acid 27679283.97 60530113.89 38212980.22 36756476.25 18505591.77 22896123.26 17680445.27 18152095.51 24319447.79 35573225.35 29559200.52 15620565.81 27955383.12 30110186.3 21192763.74 15807758.07 17951016.23 35818794 21051702.44 16767407.52 10930905.3 16733416.09 12322218.83 10542242.86 29748010.37 32423095.93 26875616.73 31863556.09 33972806.72 51723281.63 30403561.82 25428807.68 27564765.77 32756540.23 32724432.2 21940320.98 23711332.2 38128248.35 26834321.53 24043344.41 21121206.35 33679788.6 20934842.96 18541220.05 16527037.47 29451296.45 19566336.68 16740978.89 27423804.58 35190772.32 25397746.83 22639789.68 15905526.86 34437189.95 19795974.8 21364088.16 25456398.62 48127696.25 39317418.26 24337846.3 24555813.65 43631458.29 25672176.46 23093697.91 20817239.9 37558214.92 23299941.8 21170611.27 22204808.21 30087046.68 25493141.4 16623640.26 25808102.2 51733444.64 31258637.36 24425148.79 Citric acid 8738025703 10905081116 7897026512 9270880162 9416392013 10398001895 7989285566 8394532388 8568236547 9566580830 8563148677 7456226873 9673468288 10714567452 9537667064 10286985011 8732389313 11784798497 8725536490 8432336876 10652734193 10051994256 8612691746 8799147481 9756055006 9537577520 7950672808 10511580428 11400275533 11192045672 9118356741 10128750718 10610866375 10970586008 9822398402 9026712200 9479898593 10975643567 8522799646 8737508063 9210739129 9581644911 7191441222 9690884904 8930967331 8952224170 8351520646 8249423554 10768809639 10526142858 8620538799 10851187643 8403052838 10583755143 7195011065 8552037237 9665371967 11531007806 8069819378 10038293723 8494667908 9050932574 7115712937 7856999080 9243273126 9854181029 8915704541 9381708347 9872166440 9703618931 8597973190 9421076339 9472990012 10003067182 7512058099 8697383739 Glucuronic acid 10634803.01 18269012.78 16779109.13 14299337.03 14561290.13 16358208.82 11913393.03 8774390.775 15945874.59 22883252.52 18754247.67 16161941.27 8871340.812 12182656.72 9197997.065 7541121.11 11029372.32 14924461.88 14661842.52 6016987.235 8245420.945 10247732.24 8775318.646 7346459.376 5973638.528 10457350.98 10077731.91 8750205.486 8169477.405 15640718.2 11087431.06 12628883.42 12040808.82 13618316.04 15925307.41 9805065.896 8148396.105 17863948.88 8884565.804 15053112.93 13689123.88 18470441.4 11593215.67 8278721.888 16201072.19 13918508.46 16227377.05 15663736.02 14120026.24 18444845.95 16416274.98 12032541.29 10064221.92 14801157.16 11608547.16 8737616.666 9931925.497 18348211.71 16153243.65 10199921.56 9573879.504 21049650.73 10753041.98 9244662.987 6225728.158 12934284.49 11125172.66 9115084.587 9417184.494 12112163.1 10090623.26 11800695.54 9921964.9 14239493 15797747.86 14425129.88 Methyl beta-D-glucopyranoside 759537.636 773465.2239 1147706.286 740099.4397 672623.8141 962122.532 954481.6538 638864.3528 493645.3795 876981.7139 647727.4994 707997.643 304799.5879 362632.1108 396815.804 368569.4823 473124.2733 409478.7879 920743.2738 544774.9807 472249.0132 596310.5685 553098.0728 572824.0374 710433.6284 1174143.277 911256.7454 837793.3872 435568.5105 866508.4212 708841.6865 543938.3212 857182.9636 997385.7675 1309074.646 825389.5954 478567.9265 420527.7783 776482.6878 406949.7702 668320.9129 708586.6738 1596141.939 381662.8787 752639.0373 621214.8307 1620721.511 711962.9931 631233.7929 873932.9233 1723761.404 467725.191 707309.1105 717701.9329 1626295.043 460577.7379 597677.041 538949.1036 942488.816 683704.3522 590890.5426 715484.519 533811.7572 525876.9858 404665.0502 796974.9286 1330280.971 770777.7426 160035.3875 860396.2927 926102.7628 482604.6741 561525.819 865822.2324 621638.5978 783939.0561 3-Hydroxyhippuric acid 311972.492 713820.0753 482630.9377 269438.2925 171725.9969 428807.8144 302011.4671 51475.44726 172282.6679 449879.8599 181497.1119 311672.8627 283034.8005 519646.9361 265131.1112 137319.4833 233270.6526 188129.611 251411.3226 137703.29 223927.3911 437258.0742 274989.5973 227208.1833 167152.4515 202785.2361 209483.9518 60692.02928 236814.1732 493099.5563 315109.5969 334419.2659 66657.48281 183357.5991 213730.4467 136601.1159 254887.4562 563501.9131 9609.252452 231095.8788 257246.5045 383527.183 322967.2647 128316.7371 252643.3829 595722.8874 406786.5988 353888.0398 100834.6875 373718.8526 348410.1734 144239.4664 370839.8201 495321.2331 378970.7939 288173.274 266839.3667 355905.3246 305162.816 250885.2923 269613.5416 588385.9943 10434.02436 298610.7738 208758.2712 442029.6622 300158.8429 350497.0828 162696.3023 416991.6725 202809.8483 364214.0281 304395.5265 753972.7052 537281.7334 328566.5719 Gluconic acid 121791339 188222091.3 158095543 83056676.31 86543965.98 115528993.8 92230373.26 64605028.03 105140338.3 203141544.6 168713279.8 117257371.6 111145489.3 156637922 130735348.3 84392795.78 112898987.8 156300540.6 168238617.2 85783500.75 129966895.8 185389771.9 149587050.2 111444606.4 85784110.75 144517499 117130402.1 92757741.1 142016321.2 229455476.1 236537549 117042211.1 93593416.31 94283246.56 129872274.5 82989651.95 97849363.36 202950014.6 104829383.2 105296255.8 137612478.3 227235746.3 148253842.6 88570133.33 156008115.9 272043229.8 208262256 120838014.7 105248725.3 167514152.3 156442977.4 101127691.9 120289880.1 150256618 127506712 85304562.15 119149521.8 201608980.1 145099252.7 86825429.96 114865564.4 212198331.9 103624279.5 84463963.55 109622355.1 224490926.6 144403914.3 124649543.5 96699782.13 162143271.3 110950583.7 124298528.5 93114433.85 162068029.4 169294630.8 90374829.9 1,7-Dimethyluric acid 156212.4251 634009.1207 181283.5995 841699.7255 202349.6168 309187.4162 388244.5734 189105.9864 145248.5545 50303.73155 249796.1512 405683.5189 35481.37938 2511291.969 157001.2919 290942.2528 3103.174731 18588.38379 3154.251072 2776.413822 2661.658533 20661.22595 139595.3666 601374.2299 267844.158 35768.39972 34217.34603 413507.822 1084954.032 684015.3235 613810.9591 1218562.739 975089.9715 910149.5354 569378.9102 1427005.418 415037.9074 124034.9504 175218.9292 163771.7782 61664.5909 153830.3994 98453.54497 22778.29066 46014.02866 250837.1768 1100020.742 3060.531233 253424.7786 176113.9306 32617.2072 52701.17671 1781661.527 49128.54886 38508.34089 89129.1372 141505.8499 589277.0339 414919.6648 538394.1848 456492.8798 321306.5994 611529.3983 667848.4788 25587.8058 733376.9943 553792.7256 9252.505131 136849.4742 81393.05103 104752.7844 6726.319572 634572.5301 1366604.966 504650.3615 1319335.58 Dodecenoic acid(FFA(12:1) 1210723.997 3317839.613 2064908.402 1482801.354 233463.2696 707788.4148 370225.0244 758886.4458 467689.4309 1310141.131 2191397.942 492158.3048 228584.8197 1868607.284 79579.9692 292888.836 708192.364 3129132.386 360153.465 22698.12496 1114327.568 945248.6567 111199.7431 494631.4023 450917.6469 1092549.651 302463.3861 1198707.185 831904.9028 2513114.774 426518.3395 316381.7274 513274.91 1308007.222 47462.82369 1815392.649 1025735.054 2466629.21 904320.456 361977.9484 587315.8839 2945620.701 140894.4046 299510.7381 549863.516 802010.8138 255851.8774 562601.0641 2345676.287 2701883.848 552166.974 747338.153 249125.649 537560.7681 24407.02695 296286.8251 1063760.867 2310160.193 1377562.601 564665.8841 1314086.335 3005178.047 395867.8394 345486.2982 996585.3804 1003018.038 224237.0835 386676.2327 1264641.255 883304.5725 1293790.587 1841058.254 594286.3799 1721686.709 439808.6388 754333.1036 4-Vinylphenol sulfate 22426.16895 2838.48773 26233.22041 37304.61166 16653.25411 46939.77284 32790.49916 3072.875744 65980.07304 83150.36216 83436.62164 108769.1795 40600.39074 33523.55993 20090.08114 3321.379118 42025.50201 23907.93368 3048.998651 6211.704776 3627.280969 56961.4801 66099.17243 93825.54033 6959.956848 19994.6867 23256.95512 20824.72098 16746.14665 25499.70638 1533.399905 25242.42509 32483.30072 4798.855965 1935.109533 37207.20283 2801.70607 13515.88765 3312.674211 1896.715644 41961.01675 47446.23178 62951.85741 3380.295765 5188.042508 40583.57241 51944.6377 80216.65704 26392.54998 41203.68419 50475.10669 3301.068477 18134.73649 11793.69411 2317.872769 2822.72689 1951.947755 43714.69628 52094.53805 24445.5645 5045.993707 27874.46386 16340.63759 34215.57827 45738.07648 36848.60961 49443.06789 55205.97038 3458.911362 14182.52505 2600.068202 1779.58083 36276.7181 2953.969704 48840.92372 46460.09361 Octyl butanoate 5258857.268 14054016.64 8067642.329 6536329.058 4768665.147 5549893.68 4171562.712 4391852.289 3174649.568 5404562.684 8301196.332 5185652.644 3339470.608 4582489.637 2761957.554 4168838.288 4584963.449 4413997.945 3780711.565 3739738.219 3632417.109 3669902.69 2685337.767 3011333.993 4499569.907 4392717.116 3512477.78 3732665.843 4686716.111 5735515.223 4600733.783 3871624.817 4610563.165 4662719.373 3899723.454 5411871.585 4560072.44 4650693.646 5472144.017 3518800.5 3331656.068 4367086.37 3741968.975 3881677.73 3572086.454 5816164.462 4465947.131 5108962.004 4838271.812 10357894.1 4449384.977 5673322.591 3511736.884 5205726.357 4002862.833 3981023.615 3601501.026 5368037.11 4640883.83 3940620.222 3877859.403 5297713.492 3453372.9 2926551.154 4028614.002 6622117.267 4265271.021 4448501.171 4201277.79 5357600.946 6073217.295 5170122.072 4805355.759 6945047.737 4291653.404 4097447.97 Cysteine-S-sulfate 1324011.864 1194810.868 1132643.712 222593.268 954528.5778 707684.4586 858723.1532 706322.5797 721769.7875 1755709.989 1597347.166 1337652.487 397649.7691 547088.0344 408332.0811 797903.519 494753.469 1454412.183 469110.1545 178223.9367 2194280.506 1145621.047 676219.6552 981813.8881 300683.5829 324792.5903 585380.7127 1549807.746 1887299.675 1255289.423 1290967.474 132156.4474 646467.6777 227373.8557 998391.4231 121788.0842 459399.9201 1705916.641 431987.0569 460522.4798 1933695.443 137253.8017 1402158.179 589470.673 97899.38981 1050989.244 1563395.595 1087925.892 764063.1141 2070043.05 802988.3353 1888372.865 307844.7877 1126156.125 1025441.107 191717.0321 1859851.178 865413.6762 1419281.028 1322626.753 1301091.201 1823475.473 1790279.056 476673.9075 458723.6854 1641319.901 2019701.965 1175304.849 136307.5782 795568.1324 1831058.503 1504673.043 1350834.914 1087457.674 1924020.338 614285.4467 N-Acetylaminooctanoic acid 22167.75184 18706.0834 20272.85216 12496.8573 7717.565533 8390.851633 32705.54267 31206.56212 10120.89345 14507.62617 5663.036648 46492.5287 55629.26819 39228.80397 30583.71746 6688.624901 19567.56458 23302.02067 18194.42501 21760.97625 7198.604224 29364.56081 12893.19738 20175.60285 13583.77231 25137.9842 30404.39194 5881.772803 9228.138421 21032.13199 46459.47756 51593.87672 3627.492703 13389.17503 11669.91283 40201.52268 24330.84586 21004.2963 15723.38399 33406.68779 36784.58761 36449.44144 33740.16046 10694.52138 41293.88645 17730.81956 35137.06992 38780.8633 19013.94174 19833.46003 36320.10584 7206.628091 44640.4363 9449.114582 9376.373372 32223.39782 59174.21108 2927.869001 32933.63496 17326.56378 13583.42491 19644.21961 16216.84446 20669.30058 8715.922675 30090.24708 12106.3916 22032.43105 10304.63628 23223.99467 20423.0098 20847.16254 11104.95384 6183.966749 38994.45402 23672.50443 Capryloylglycine 3442.770369 10901.10443 27825.52532 3780.055657 4468.53824 33567.4971 3748.592467 14976.47654 15510.90499 6029.70651 6786.160688 7994.664594 20170.69256 9495.527559 4462.693003 4511.314371 3168.165665 23623.06981 37112.8104 19797.0522 17018.20668 8411.603117 12954.34958 21183.10371 4648.425974 8166.771658 9030.113799 12859.16246 4228.099361 8100.973037 8587.703612 12534.0077 11905.33177 4624.614137 6668.704545 33758.08537 3514.642088 2721.013455 21718.26282 7967.377737 7463.706993 14672.62932 37447.51078 23726.26828 13645.0106 20095.52398 8433.289149 28255.31871 4497.369956 10014.37249 34374.2423 13715.48956 5982.570364 5524.902701 8602.961804 3684.497188 18923.19599 14078.33716 32495.10539 30840.7442 10610.67377 13445.74548 4347.741717 24826.40528 5093.98072 19232.33515 7707.13494 5493.361718 15075.04058 4677.640501 9566.430959 2437.288109 4189.143379 17575.5173 12754.49531 3854.777601 Indole-3-pyruvic acid 3176557.962 2842788.664 3360570.273 1050578.609 3440894.369 5564045.062 4238852.56 2027695.223 699279.5947 2011078.787 2546857.15 1883965.413 748532.7262 2532712.61 3897017.654 2584233.295 759314.3948 1296250.117 3389135.294 3816349.04 1566434.47 2544763.75 4076689.523 2535151.798 3725501.464 3274587.75 2885489.732 1872071.878 2968142.756 3385753.462 4790515.365 5433505.805 2200251.069 934712.3652 2803490.194 3851766.842 2037551.907 1585166.639 2292217.354 555541.208 4030619.616 3236606.161 4974989.212 3771036.999 5219333.274 6613126.613 6998364.388 6407133.757 741424.6523 2073172.132 3972633.343 1509458.229 3422320.972 2104869.719 2733613.44 2328618.179 2517533.279 3136276.926 1086887.037 3159065.691 3678843.495 2559220.701 2850275.278 2842652.171 2413872.75 2085855.965 2431985.161 2941104.894 1096856.558 4279364.821 2090643.718 3292410.44 1698434.079 2805205.804 2602541.762 4004285.119 O-Methoxycatechol-O-sulphate 1390902.826 1655918.35 938293.4277 2244356.625 3331372.975 4883836.251 2478121.97 3959693.679 2804616.277 3937677.251 1734359.456 2787411.166 1516207.829 1523739.251 1067797.922 1386404.083 2290187.253 2363102.655 1202231.927 1790902.983 2167922.621 2176547.624 1437345.398 3671622.667 5260112.619 4219133.038 2596612.251 8556544.306 2083122.628 2215447.4 1607324.079 5698285.871 7316.950655 4758061.497 4208887.504 3299385.592 1884173.282 2746980.139 2111740.177 2843923.66 3431978.682 2990024.474 2113246.691 2761785.528 1937323.655 3549921.332 1977628.184 10024008.15 3736276.137 4274560.357 2421027.165 3700408.712 3141197.856 4354659.816 2016441.217 4429884.09 2274680.129 2957096.362 1809083.612 3004272.907 2265984.01 2139157.682 1555977.639 3481285.123 1374893.02 1773541.01 1736416.5 3601164.897 2542061.506 2432705.969 1795431.262 1387035.77 2588746.874 2911720.246 1954223.261 5501528.279 4-Methylcatechol 2-sulfate 4067188.545 3030557.021 1569364.79 14606782.06 65205175.68 46547615.53 27681064.99 19214814.29 23040991.51 30290348.99 15271656.91 17796249.57 14488655.65 14196748.18 10502783.44 31566498.45 52378861.93 70760439.48 30902008.37 35771067.51 42794690.47 44473886.18 32465273.98 141323466.5 10354449.35 8795154.478 9126967.444 170699441.7 10931991.61 10421360.22 9352844.608 47252981.86 53026868.18 43744382.87 31499035.64 19922997.82 13011247.04 8983667.844 4921471.001 19927152.58 57754263.86 54065376.12 34655245.11 60645700.13 2298235.594 8661180.353 3711691.998 8575059.126 38034339.31 25343028.51 12561464.03 210250324.3 25154538.93 54430349.7 27776329.35 80832583.7 16920395.5 22207593.66 9780855.138 63817306.48 11074110 9106310.239 14135039.35 41800306.74 33940114.39 28768458.51 29525774.94 26697059.02 17106644.99 11394519.07 13550424.63 24669637.47 11124410.34 9532952.837 5834689.897 65747942.43 4-Methylcatechol 1-sulfate 4463219.022 3976269.981 2644521.649 1387458.676 898194.314 1087447.838 972294.757 4201725.479 18375624.83 14802570.12 7357291.94 1400222.455 7162637.693 8052760.414 3951631.62 10220510.18 29843268.24 30198246.53 13287592.98 5171352.121 5911542.083 5576511.787 2978287.508 9849419.877 780982.4548 550723.4869 810652.6448 866959.9553 4966694.253 4341662.019 2644287.33 18895894.26 1547047.808 1397858.75 1857999.822 903581.9091 5197744.687 6783684.268 4704353.507 11006783.05 3495581.941 3167859.919 2169217.599 8215438.169 2332927.443 3094582.619 1940922.98 7059028.433 2781559.389 3064626.968 1689634.915 4391913.374 4097026.063 3361552.899 2183359.798 14069170.1 21077954.12 26572187.65 13596648.25 8672186.192 5408852.019 3677578.682 2191464.122 4531232.472 1077676.378 1069358.332 809578.7994 715157.5277 3123846.878 2929167.194 2020912.998 1015601.778 3863818.275 5248377.94 3335138.395 2052444.634 gamma-Glu-Gly 2357320.331 6930087.102 3746539.776 1852934.407 1308461.698 1540522.9 1881946.124 1328636.676 1293369.75 4592215.224 2205570.862 1531479.008 2365791.357 2098971.662 2156684.414 1643960.414 1193390.644 1991410.578 1754370.491 1131950.232 1533024.675 1099818.894 1493407.679 1161760.15 1205566.744 1842529.918 936898.7975 757433.9964 1059511.874 2496923.367 1007648.064 1067731.694 1218955.838 1128428.632 1806641.052 1757581.447 844545.5463 2593150.951 2168268.118 1906973.839 1891574.314 2588668.675 1530755.428 1087510.675 1694409.609 3531904.533 2070517.688 644854.5802 1866938.072 3480285.147 2243939.08 1320488.46 836428.0356 2836491.486 2704451.61 1262461.824 894183.6573 1807456.383 1446377.987 805859.7606 1099871.548 3323095.323 1710783.549 1229599.417 1346677.51 3625369.107 2981370.2 766569.3649 1865856.027 1296399.086 874648.5863 605295.4474 1127378.415 762246.6957 731298.5735 2603184.891 Pyrogallol-1-O-sulphate 4699527.774 5243835.035 4819545.874 5359853.964 3646384.433 3723439.293 4104131.061 2286553.994 3136085.383 3795367.752 3699455.933 4091043.706 2926162.907 3909743.993 3897773.342 2652681.856 2142584.12 2975212.62 2457437.972 1710891.251 4757566.063 4443366.979 3053711.284 2728264.013 1315035.611 1874599.458 1616645.049 1628714.987 3262265.542 4130344.662 3291364.97 144754.9722 3732204.728 2282829.654 4862156.812 4947735.039 2346985.73 4380955.061 2414358.848 3415259.417 4367308.464 3632794.247 3046145.233 3694928.512 5225179.062 3947714.429 5924508.998 4355687.937 4030581.473 5266231.191 3983765.109 4471199.006 2767543.449 3791842.204 3526993.695 2318376.67 4730496.456 4184350.788 5143875.627 4218726.019 3099295.997 4139514.54 3744090.935 2970248.464 3946405.885 3681482.716 5655866.365 4907169.197 3645288.43 4328336.434 3844578.379 5624017.47 3035836.094 3270093.622 3510686.331 3332389.346 Pyrogallol-2-O-sulphate 59947.77343 41153.39451 30231.72773 70221.96012 30902.70816 26770.68561 28110.07078 23130.23081 41874.30929 21537.52155 125177.1627 92304.56615 21669.41696 31061.56712 19472.0334 25085.73022 25692.89164 71310.72339 26480.26629 25580.55428 22640.47254 97818.85056 29060.53904 4713.716019 12457.45711 51025.29638 3939.003656 39527.95901 0.99893211 182844.014 22216.15011 23414.6576 12028.04061 29211.15596 11270.30883 375788.3856 45644.43757 153948.4558 17395.34021 22833.84461 28770.98478 102680.946 28191.89949 25943.85528 156089.286 202779.1378 233159.4959 96522.03018 25684.70952 231656.8578 291214.7193 96957.45348 163949.7107 52983.6279 17093.15375 12591.67416 88808.00647 167785.557 76892.62707 7443.899228 57741.12585 31014.27533 35684.28159 4924.126953 32433.02579 30486.69028 66800.27609 37628.41743 23731.06061 36787.11395 31315.70916 13582.79406 36724.26177 160267.9308 4653.68543 39882.49248 2-Methylcitric acid 24578967.33 37603761.57 30193481.54 29498299.48 24688546.02 27178578.65 21745836.11 17856289.74 23593115.21 39705147.81 29766161.08 21682539.71 21154230.95 29493494.64 31188650.27 22321019.09 19791360.28 29686172.38 27771002.88 16876441.19 31034024.75 38437062.85 32589416.22 22581358.56 21065050.39 26462348.18 23029963.52 23351812.7 28805782.03 37854720.88 29207803.05 24264051.15 22634106.19 22195183.23 28453727.09 19459899.69 20060284.52 29795226.53 24737347.87 17082896.23 26272793.62 30595770.79 27400034.49 23901690.49 23409365.81 29804448.29 31566623.38 27985368.93 27697170.29 35548774.18 31547098.08 27562216.44 23404459.17 33105423.53 22235256.68 22161281.98 26433487.4 42699076.2 30835272.43 23310204.41 24859681.35 36133083.97 26776912.18 24327895.69 22209748.68 28181510.05 27521000.85 22639681.17 25347780.32 31090772.13 27124875.9 28053168.49 23745902.09 33196393.54 28959262.36 26363676.52 Ethyl beta-D-glucopyranoside 624745.2289 906006.6422 511859.2093 336612.8802 978847.602 1037571.748 2329285.45 719672.4953 180699.9397 83494.5924 17120.19158 19656.11768 19220.31344 23913.02514 63910.71427 225580.5288 31266.49115 0.952948576 37942.83235 27167.04062 1685159.327 5051081.133 1683208.053 305194.1559 17110.77781 132768.2811 380273.2985 96475.80474 36030.85106 21821.84695 39629.7632 10092.43123 353994.6976 330317.6967 2232197.761 18241.33686 2179138.937 2693059.655 1257801.726 18731.41915 2493906.23 4525891.025 1686039.291 109011.1495 21309.84635 958646.7362 693504.3396 12445448.58 90411.81038 326861.9774 157429.6464 21135.55976 2208761.288 2963431.068 1792410.283 10579994.46 112839.3312 177679.2622 156247.0908 17843.13704 120138.5507 679372.4979 416755.2307 82594.73828 1978117.502 3305357.555 1393955.391 80756.4622 2830120.334 5439481.001 2345173.429 208013.3988 2419527.589 3764108.293 1577541.108 529047.4915 Methyldodecanoic acid(FFA(13:0-CH3) 399466.8281 784079.5611 16001.66894 8281.337922 515396.993 495612.6505 523666.7969 70640.47349 952283.4803 1121410.282 59243.50258 482788.2426 813614.061 38656.00317 8321.952678 98715.15989 690976.917 57066.58197 342576.4474 460840.2512 1169713.132 934135.5631 469622.28 8221.554817 1054643.663 1264033.261 368038.4743 657713.1132 779110.9849 28326.90381 1121173.534 699321.6734 607395.2084 643012.1337 287814.0792 661895.3019 995637.5887 1173352.236 543098.8359 8054.20283 927701.4923 25746.55893 584574.1455 8241.642956 858103.6464 1487078.087 729352.0034 90169.14835 546086.8674 1041348.863 852129.5979 641101.1833 1106220.605 554730.4356 363763.4693 311289.5284 597979.2947 87983.20164 1080890.1 320219.0036 1003854.194 2018415.858 487991.0297 402470.7933 990043.082 1543185.822 535261.8786 803848.4685 415823.2945 539752.5727 249389.0837 921466.6981 373411.0703 833000.5987 805671.3441 164979.5999 3-Hydroxydodecanoic acid 1653225.788 2293189.186 2119963.24 1679140.747 1503096.701 1779695.425 1455871.2 1495368.367 931744.1229 1145308.92 1185412.789 1100006.289 880237.5885 1203328.118 614212.9872 816027.2404 789219.5845 1009727.025 810358.5477 704098.2005 852407.7036 989171.8229 761810.0856 655617.2168 646328.2593 923667.043 640874.542 680259.4284 793951.2303 1266941.724 1028883.175 1039591.639 1197086.931 1189020.305 1227525.767 1425287.897 885132.3411 1148147.299 862365.3772 1064157.897 972084.0157 1439489.481 844484.5005 803185.0997 768964.9397 1003373.115 849404.026 882187.3003 716913.1048 1160091.26 850493.3609 771182.2036 827749.5504 494572.3184 676804.7266 674906.2758 893431.6191 932240.2163 863226.5936 838161.3866 701932.457 1060464.238 659378.5342 647795.0617 1014825.325 1343106.705 1006938.533 1299929.488 685460.4333 924614.7323 758342.2228 2903156.422 821814.8542 1213970.608 974119.4373 934284.7114 2-Hydroxydodecanoic acid 4086438.791 4773192.975 4622450.863 3586150.536 3408462.866 4308691.047 3965719.848 3674818.104 1501568.924 1638927.608 1824620.95 1672324.92 2037394.558 2013098.449 1764978.393 1856271.648 2094383.473 1898869.384 2040792.406 1918304.639 1345011.23 1434082.714 1468742.199 1385414.204 1240601.575 1285902.919 1293584.862 1186110.561 1670474.035 1905062.769 1975469.084 1853956.946 2329887.277 2181479.3 2519443.737 2891444.61 2142401.362 2399037.689 2144184.533 2081298.32 1599275.317 1834556.84 1678801.459 1556362.853 987749.4904 1184944.003 1084167.433 1072295.224 1235963.466 1505472.319 1394232.202 1265535.866 1564103.451 1408089.951 1545035.642 1494745.742 1744484.13 1799449.413 1725915.484 1594507.366 1497119.94 1636107.246 1385781.693 1429047.213 2319562.685 2372088.002 2294104.246 2272735.583 1601717.896 1810607.551 1711463.844 1677919.218 1874400.797 2051883.442 2027150.774 1661302.416 Methylpyrogallol sulfate 783259.8667 436012.0554 192900.8654 329445.3681 3190414.865 3749567.177 1849076.212 2103522.214 972559.6113 1576579.581 660506.0372 926694.7225 279428.6545 436799.0711 347794.2936 255649.6367 214561.8593 264942.4718 147138.5187 559862.737 417067.4961 411282.7509 168549.1173 530026.3263 963517.6511 848268.8925 876860.2436 2284951.748 618983.7682 369425.6373 302608.4709 1903662.905 3115727.238 2070505.516 5428040.654 3548937.519 934794.9855 452066.203 152905.4901 64906.96341 4285813.675 2031186.681 1192432.57 2125019.705 398884.5525 634054.4656 294279.66 257641.6565 751671.012 856673.276 401945.3231 924134.0045 5397197.027 3742419.08 1203532.654 1353705.301 578773.1411 416890.5085 68539.30955 321086.5036 159027.3649 193565.4848 151287.5925 831901.7541 167735.78 130306.5761 93192.24534 75568.20492 608654.8787 1686402.407 1119013.678 252015.2382 485668.6792 422007.4989 193387.7362 8805556.605 Cys-Cys 64307.93617 36884.81434 206992.2053 199271.7663 158326.7037 52042.93387 38434.97022 228347.555 215252.0584 269880.4583 276508.4264 232056.4612 46874.10942 245169.1477 212985.0383 261493.0444 51760.09193 172577.664 11427.9881 99620.47189 196254.4174 180887.1762 145738.5039 161558.8462 168037.7357 158163.8797 57223.13548 166036.1582 239204.5705 102955.7752 52893.56963 11366.59163 630473.7197 565017.6018 1024601.446 64697.12163 309870.7561 277937.3296 308959.977 128199.6611 11076.22614 117931.7311 11040.90932 11146.8907 154150.9418 95918.45087 78184.03824 191401.6414 88167.99638 303537.0058 69515.87916 180172.6924 123816.8559 152809.3486 158898.077 116605.6256 107537.8853 204739.842 276540.4216 343325.3495 173258.5176 247273.3674 73940.00854 36431.68714 142563.2983 69573.91027 26631.16554 63129.07072 22826.91064 28263.24616 194247.6475 56735.01431 99829.74194 232578.9711 304023.5678 298355.3242 Myristoleic acid(FFA(14:1n5) 83682.46417 51096.29502 49913.93689 2629660.899 1203960.762 81788.36938 30261.06042 24902.06868 41108.8489 65111.60973 17210.20581 39884.88621 27405.40255 10922.31168 131096.8617 100616.9398 84495.06973 46465.01236 55873.36245 46572.05639 1247532.91 1300694.003 557030.6154 107178.6457 46091.26059 40471.57522 28312.25178 24394.84325 784027.665 14896.71491 68904.31873 16931.69003 483123.574 1308477.756 131593.8374 1261828.159 1022364.595 75422.87281 1094206.886 77342.18182 20128.09506 62085.29768 48975.24908 18122.8652 264709.3297 34197.96017 25163.99594 1777515.504 1993674.5 2104585.468 58594.47213 772957.528 100771.5468 26704.70021 21123.7113 14995.4003 25184.25149 2059878.751 52492.21089 32202.09767 5445.441572 50262.08025 70863.88155 31883.8124 785490.6977 140479.5711 31841.06216 55243.57795 863467.5794 20914.60291 1503907.549 1954059.713 745053.2523 65103.51354 21587.76005 27836.72077 Dodecanedioic acid(FFA(12:0-DC) 613187.9973 1783315.37 3173490.504 762363.4251 976192.6755 1301277.675 933475.4334 963399.6801 3446313.369 3395077.473 13290848.82 5387908.551 2287693.302 5231573.278 612686.0268 1855453.395 2111681.62 5194135.306 1033521.203 1808676.924 2185464.619 2330587.919 702179.7965 1478529.58 2826696.759 2850308.882 1177180.191 5883101.359 3780488.212 9516161.305 4530910.115 2308333.478 1129373.985 5621757.738 1186657.446 6110357.452 1466854.316 4974324.102 1115837.627 1749944.657 2594208.787 6858663.678 1212378.992 1956059.614 2637162.714 3125032.784 2455458.768 1426300.779 1974146.688 8074694.558 2633583.69 3670648.355 1873333.039 1304127.162 668957.1916 1836587.353 2174477.634 5030242.269 2014568.564 1647537.057 3711710.111 10219451.57 1127468.421 2548269.968 2798003.92 9957086.194 1381772.778 3676117.169 789138.4433 2232407.84 1275250.623 3092784.003 1371262.942 5540522.266 1300570.366 1052876.225 Benzeneacetamide-4-O-sulphate 87140.01714 145076.7514 130644.4024 3555.735518 33262.38305 26271.28061 29293.60969 5826.20979 53656.11307 106908.5462 57387.11849 88008.8158 22736.25266 30392.79245 4197.103795 34800.2915 20549.97784 74642.84429 36795.93676 45909.85108 5041.68067 3919.819284 22800.5875 36305.54884 13451.96239 16850.90384 29173.70891 25390.91155 67756.62883 42801.73989 46121.82679 47581.21394 52352.14597 26014.00408 102799.9523 47145.4725 51178.55166 21271.97725 16873.06448 10711.97397 99958.99238 88147.01455 90252.76142 89838.16342 51294.04197 161771.4461 67429.43712 78426.16512 48668.62382 139130.8011 91438.02934 57134.38936 23054.15649 6000.587298 14170.95163 47606.73679 44034.789 69211.21715 21560.3889 46774.95062 104670.6262 105252.7203 64554.73781 73111.92725 52800.21703 43086.18135 2158.785642 1941.914618 28950.18865 68592.57002 42874.21358 28965.86748 41788.53278 42557.46702 13110.8548 5746.658979 C-Mannosyl Glycine 21928125.65 46046936.16 52832241.15 75876074.29 20005604.69 33756852.66 63142357.37 99093842.57 86884563.49 39895876.09 26264082.7 38550701.91 164682650.1 31796415.56 39035008.24 49890600.18 97537367.03 30856608.61 37850069.93 21682552.36 24926566.91 16067131.09 31998227.81 34413350.88 34120073.61 29390322.85 43390563.5 27317100.38 19252894.08 38380564.68 39705313.41 25568727.15 34492763.82 121127859.8 24610100.68 64883110.04 23255376.71 40979285.86 43332202.14 153931954.3 12312429.23 61750165.17 71158275.72 22029351.71 25375487.72 33272845.29 40371088.59 38388813.21 99417663.21 49568403.15 29239944.56 58514195.46 23921807.76 29116554.78 61787239.35 21314091.81 40043603.04 26724854.73 84438598.39 27618265.4 30870323.1 23853198.45 41790320.35 32921874.73 51728232.7 23207913.53 32743265.57 38284745.01 90096102.8 51460320.5 41301221.36 39584632.39 31653654.22 29365210.86 23541503.41 33037507.28 5alpha-Pregnan-3beta,20alpha-diol disulfate 257322.9796 486987.4802 450824.7101 290586.3089 211451.1544 346554.828 314656.6741 252050.7443 1676597.48 2145296.842 1677461.61 1834433.748 657561.0855 951020.4104 741387.7514 724456.6972 724649.4741 862840.4465 613949.098 450738.7701 394859.384 439580.0138 357551.6967 3714.838468 1150016.309 1165080.997 1157662.446 1288981.082 1451913.103 1562886.016 1248913.339 1052074.138 227130.2107 348512.4764 336462.0899 295816.542 1142578.022 1469537.875 1292193.59 1079053.509 1307618.497 1488777.005 1288980.544 946643.1887 702680.4563 937215.9109 758257.0139 886871.5238 375870.396 554722.8915 376112.6997 367573.9415 261695.4638 317891.2957 301289.7429 242182.0018 574672.9942 749461.5571 2893.374461 570869.4031 401912.1897 440119.0972 348471.8149 356616.1675 504952.6185 520054.2414 438900.3603 519081.5346 243738.5431 316928.2444 266315.9208 277250.8515 265839.9826 323677.6384 228700.9118 239498.9277 Thymidine 2722.843573 4776.322671 4063.1603 8494.658001 619.0209123 25154.80037 6489.514514 619.0209123 619.0209123 619.0209123 619.0209123 1963.670541 40004.39333 34968.54312 275647.0268 619.0209123 11227.42444 619.0209123 33620.25064 619.0209123 619.0209123 619.0209123 619.0209123 619.0209123 619.0209123 43181.89455 22035.76599 619.0209123 619.0209123 3093.455239 27361.06398 59458.32135 619.0209123 619.0209123 14683.73302 21326.02923 619.0209123 50015.75695 619.0209123 24818.03414 11028.81123 3800.328322 18599.29529 619.0209123 21363.24131 24141.85915 1238.041825 50904.796 619.0209123 11351.24324 13906.56949 619.0209123 2951.214262 619.0209123 13111.37388 619.0209123 15315.92063 619.0209123 18162.97005 619.0209123 619.0209123 2651.530596 619.0209123 619.0209123 619.0209123 8507.648244 27467.88132 46849.86122 619.0209123 19427.40091 619.0209123 3051.147905 619.0209123 619.0209123 21084.12055 619.0209123 3-Oxotetradecanoic acid 1786982.964 1432742.076 1613470.389 1289361.495 813021.8959 1000574.261 880549.0346 906246.3671 360749.8791 643018.4867 792312.5557 647932.2521 471376.1698 572843.9088 315487.0198 370746.6503 526966.5844 447048.2167 524119.6994 417790.4097 301974.7766 492269.5863 455599.6524 289962.7967 296344.3323 498449.7022 578317.9912 378643.7635 399036.6296 488260.5793 361647.3324 415015.4608 715151.2255 577899.434 764085.5611 809236.9266 714022.4799 560077.0181 489938.2719 762192.1147 477089.0816 483612.9132 611512.4877 434879.0284 670469.8871 847032.4089 775859.5526 813846.8287 538512.2844 860562.4294 631254.92 534574.3721 771830.266 456108.3284 603070.5031 889763.5441 475529.8056 560021.0459 499223.835 789950.5728 445505.1423 507578.3499 448344.7755 415845.387 734329.9913 776784.0836 901868.7857 768091.0721 661794.0779 660550.7897 598116.7815 905336.292 611576.1344 554347.6325 781403.9492 727629.0737 Methylmyristic acid(FFA(15:0-CH3) 4773675.089 9140961.211 6372808.995 7836481.917 3123430.113 3809099.188 2801521.302 3424842.815 5550826.607 11865452.94 26470178.84 4395949.154 5387645.906 13619266.96 2375649.426 3192420.35 4929023.589 14435142.32 2644920.77 2718196.031 8963312.995 8859708.491 3378341.838 2078037.234 4879485.864 7704925.244 2621482.311 2980619.1 5683018.437 10185135.56 6433624.704 3776816.737 1494748.574 3347727.318 1776675.745 5600713.247 7255032.428 10074906.76 4791340.116 2582666.557 7227944.76 13140596.69 3541947.692 3487014.547 6328250.308 10219126.62 4483506.115 4234100.927 7505416.238 8517591.924 5007981.498 4699412.714 8629692.737 7073472.79 2673938.697 2929534.996 4649691.931 12042870.92 7784322.045 2926946.819 9590983.087 16516707.66 4225475.996 4256217.542 9193182.168 12195202.82 2950211.277 5460862.744 2965665.606 5016432.36 4269834.294 7251197.488 3758175.731 11725597.32 4620261.977 4247864.09 Pentadecanoic acid(FFA(15:0) 11650628.47 28321678.21 24299005.85 27250926.42 12922421.49 11903758.21 8714220.849 13998380.21 14721127.84 28093134.17 79041398.51 13420677.55 11835485.11 30153765.75 8735818.303 11064172.19 11920730.81 40163770.89 6681830.364 7239085.609 20416121.03 26286969.62 10621959.59 9091059.802 13043201.03 21979498.31 9856239.036 18813177.33 14519158.05 29191937.51 17135536.69 11716939.7 11024283.25 16349507.39 5162822.838 14393271.73 19780470.39 23946994.83 21203712.7 7033940.507 15284525.64 37050143.58 10772260.22 12498717.32 14750795.43 29001570.26 13761905.96 13857438.08 18767003.6 22160124 14686094.08 12916922.08 16404887.86 22620842.93 7864863.128 9530134.599 11260427.05 43708742.99 28069830.8 11713288.8 21351188.42 35350402.14 13542176.4 11469188.07 18024619.03 28601795 8125627.943 12108882.59 9948891.212 14334647.23 21170287.9 15512931.93 14139586 26452739.17 12631868.74 16672719.71 Uridine 39941279.12 61114417.47 44588317.9 30060224.89 18876056.66 29862083.94 21343079.09 21319512.85 16989954.86 21077278.18 18555569.71 28017829.55 27371280.11 25441111.29 16872597.37 19284598.42 26735266.62 17903850.12 23884774.75 20080491.3 22673478.19 21107655.04 23247478.15 21597419.52 13385032.99 19990349.6 18949269.35 18977864.44 22771054.73 38866384.33 24896502.66 31384024.4 20151350.25 25699390.29 20355297.68 27848217.93 15743421.62 28372347.76 16145867.74 25370242.51 21453038.05 27345287.27 23998375.24 19421558.25 24633710.44 20819546.37 24846265.14 36895986.24 19779278.74 30123305.28 22453509.36 17555985.53 22998263.17 17139580.25 22630100.47 19656593.29 28379191.98 23851729.7 29634898.81 22949157.95 18707859.49 26586439.54 19618898.64 17276305.33 18284983.8 28327860.55 24387845.81 27266417.96 19895452.42 29438243.8 20801508.46 32039119.95 17706686.37 20450158.71 29858710.71 18522775.87 14-Hydroxymyristic acid(FFA(14:0-OH) 5765.838835 3315.654246 3482.007585 5703.161181 10857.54356 5141.090935 10872.7701 6340.485259 1325.881558 7544.786207 7597.44168 3468.750085 4005.164442 3115.355427 4555.512449 5491.187465 9346.068732 5616.778711 3855.579979 4828.468948 8060.328504 5298.451549 6886.049269 15188.77467 4344.905128 7864.704422 2785.122698 10607.27144 5674.038444 14185.54194 12694.00564 3850.149727 6453.261739 5054.819698 12798.49398 3448.142069 16455.91802 3986.184529 5630.037698 4825.794828 3864.759951 3320.197559 8754.518503 12463.80266 7506.659285 4999.780026 21756.32318 19798.36618 6800.361312 7554.014197 13456.4086 6677.128791 3127.932328 6345.699557 12255.10136 6786.152781 6169.407373 5959.203205 3667.077735 5792.893954 6001.105651 6739.156228 14647.94993 6060.222083 6070.385537 11939.46142 4992.273556 3188.301037 5524.104817 2659.337502 6524.121839 3390.028504 21950.26151 4500.814989 8427.824175 6617.874132 3-Hydroxymyristic acid(FFA(14:0-OH) 4998927.993 10661264.71 6470912.253 5494566.922 3705398.752 5874415.853 2087962.042 4517064.353 1862803.473 4159382.746 8004371.068 3225716.522 2699202.946 4856175.764 1401071.335 2066661.633 2378229.836 6445808.437 2051287.597 2058786.465 3496297.954 4456803.028 2139305.515 2256980.061 2212508.472 3512537.42 2001305.356 2870682.411 2603810.8 6884623.277 2129202.741 2068108.072 1815657.092 3607002.945 1451710.965 3621927.467 2522523.266 5620762.291 3011254.988 2081643.503 2248986.628 5740179.923 1818945.591 2572767.676 2312155.848 3480502.905 2276348.524 4341218.564 3557645.895 7584137.674 2257598.957 2800773.038 2416439.724 3269029.761 1746018.278 2207686.929 2804483.412 5102465.854 3295426.504 2425247.402 2603530.655 7643933.101 1937084.326 1662151.7 3291735.517 5875356.097 1808970.823 2717196.042 2927184.4 3340880.304 3233305.191 4734031.261 2226233.153 5917124.166 2160770.868 2411799.5 2-Hydroxymyristic acid(FFA(14:0-OH) 2690341.508 5108150.506 4777524.422 2542246.491 2293654.71 2940907.636 2232418.503 1623378.943 1946155.675 1666923.774 2663918.298 1599935.73 2284799.815 2998089.699 1183862.864 1582154.826 1535743.079 1920712.276 1451386.633 1391464.462 2054055.746 2113041.278 1809252.842 1740303.637 1502715.744 1954219.449 1498994.017 1706057.926 1466015.731 2738385.037 1679438.904 1529746.207 1034126.675 1972046.748 1105406.597 1669114.843 1580518.74 2687946.99 1662756.18 1631416.058 2162934.393 3684994.512 2249093.109 2019413.037 1407179.857 3560182.355 2234534.87 2463445.484 1474996.566 2527811.484 2008868.672 1352575.576 1559350.263 1710030.712 1126585.905 1744148.256 2039406.976 3332057.621 2171935.411 1522916.975 1621793.134 3657172.04 1705789.804 1222546.047 1765041.199 4068697.502 1782286.29 2862481.986 1556594.378 3095458.312 1652081.413 2594666.314 1606431.901 4061184.419 2634514.331 1843460.905 4-Hydroxychlorothalonil 1 1 1 1 1 1 1 5493 1 1 6193 1 1 1 1 1 1 6681 1 1 1 1 1 1 1 1 1 1 3825 1 1 1 1 4856 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5005 7823 1 1 1 1 1 1 1 1 6181 1 1 Ethylparaben sufate 2.525717422 2.911040013 6333.256616 0.923759961 0.923759961 199274.0242 20946.13902 0.923759961 0.923759961 0.923759961 0.923759961 2478.342714 11484.72594 36513.15829 0.923759961 0.923759961 36807.08364 0.923759961 14882.16929 0.923759961 0.923759961 0.923759961 0.923759961 42915385.19 0.923759961 0.923759961 7941.453795 0.923759961 0.923759961 0.923759961 148990.6833 529640.4299 0.923759961 0.923759961 130614.6288 24754.84756 0.923759961 0.923759961 0.923759961 6716.987254 1674591.962 0.923759961 381786.7047 0.923759961 1.948656634 0.923759961 12792.39429 5.190624179 0.923759961 69631.03507 4224.354309 0.923759961 94016.12898 0.923759961 33283.70285 0.923759961 31292.9366 0.923759961 0.923759961 0.923759961 0.923759961 11753169.73 0.923759961 0.923759961 0.923759961 0.923759961 1.847519921 2.003192451 0.923759961 116795.8601 0.923759961 4188.270869 0.923759961 0.923759961 12733.41331 0.923759961 Pregnenolone-3,21-disulfate 3255220.412 4819569.156 5027829.365 2971739.66 2412859.903 3057601.578 2565049.792 2271358.712 3761575.757 5054801.769 4139555.37 4019657.919 2969664.823 3731169.672 3510829.985 3507602.001 5210792.837 5519520.588 5091353.972 7234718.655 3198349.119 3636320.901 3054831.738 2710279.93 6136355.413 5952511.008 5475900.458 5687144.835 5030030.352 5919400.361 5139903.195 4460746.085 5020730.938 4835233.493 4787344.293 4678112.848 2864579.082 3400747.939 3032521.837 2550466.751 5005385.918 6241647.585 5299995.839 4802049.785 6426899.888 9061889.821 7043389.177 6662094.403 3742052.299 4807405.929 3622771.524 4651746.747 3509183.276 4145972.972 3691170.049 3640260.191 3963380.366 5920594.802 4194811.799 3882654.226 3520518.551 3817887.43 2914742.95 2804082.45 4215374.925 4253262.959 3779294.463 3516166.52 2401759.79 2747736.756 2332852.286 1840086.674 3272361.442 4383130.776 3930924.5 2740545.114 5,6-Dihydrouridine 3030022.848 4238471.826 3989956.112 2018881.686 1129037.399 2083029.517 1826326.584 1088560.691 875353.7504 1143312.932 1309687.41 1858807.441 1894016.456 2264336.35 1368253.743 1118317.471 2232512.543 1199962.002 2635558.654 1268257.204 1418761.291 1809185.408 1729313.182 1545962.825 850514.6321 1897031.051 1944082.986 1128777.821 1283384.888 3009430.874 2874512.209 1748894.12 1653635.813 1890082.782 2399100.79 2234049.749 1062189.221 2458257.375 1472389.328 1615816.142 2452279.743 2976382.696 2964533.948 1424685.514 2994252.915 2370459.392 3254293.852 3248459.125 1571331.512 2613444.865 2343019.606 1393139.189 1987726.197 1392846.338 2177926.16 909807.9638 2551510.732 2231444.996 3256907.346 1508756.244 1357518.342 2690128.303 1402488.304 1286945.995 1129907.437 2236238.59 1888474.279 1772852.938 1166430.992 1839649.557 1127618.719 1992328.16 1325541.486 1630720.628 2633882.499 1271067.406 NegX-RT32MZ129 130013066.6 222542278.9 135723998.9 127463619.7 126741176 181108854.1 121298007.8 61573614.73 106695014.7 155129715.1 114278251.3 86501588.64 127460929.2 192293339.2 130955668 137235827.6 121016930.6 190480162.8 130156594.3 116195557.8 153895385.4 164394619 119756236.7 85690728.27 139057008.3 158573150.8 124064169.2 148386516.3 169667730.2 199644729.2 141218857.2 146228409.1 130244144.9 166567668.6 146701271.1 134752315.2 104037358.6 181209882.2 115946954 105663732.8 127277163.8 152921667.3 104805160.1 118041261.8 113426774.1 143982022.8 114476503 101130190.9 125553825.9 167760466 85500151.43 128276841.6 114211481.6 148453220 106124965.4 72691879.74 149883252.7 196829141.5 123507907.7 135795742.1 106512077.7 149889149.8 98614759.66 92370733.16 122900798.7 151213808.1 118600477.2 118804148.1 121605978.5 142698434.6 115754043.5 126602207.1 142253028.7 173039567.2 112528552.6 106353343 C-Mannosyl Alanine 88957506.37 164742335 218393646 236401924.4 76288677.93 115053600.6 167285197.5 253902040.9 216577233.7 133128963.9 96916890.74 118532260.4 396705488.1 106326905 86758026.19 95891849.85 226210992.9 127476000.7 126358028.8 67846889.76 87472327.33 75831089.12 120737987.7 137066743.7 140472803.1 106964792.3 165654512.1 95452181.76 106891289 151454386.8 170365062.8 97973025.46 61268172.09 176317375.3 50638618.09 165417101.9 61549251.82 85468118.53 84303423.64 351150823.1 25016545.32 138577806.1 155522456.2 52849198 116141764.6 129568260.8 127542937.3 137307099.9 186150052.4 134183356.3 91038860.31 127437699.3 84589537.17 90098088.14 155277198.9 87498263.88 163399002.9 97203526.37 184016428.6 114657111.5 97825406.25 102681831.9 131079623.3 155161303.8 146915925.5 122193732.1 92652947.41 145763886 157869157.6 124589522.7 123433895.2 109034494.1 75313630.46 99591220.56 72279526.36 88035768.16 Hexadecadienoic acid(FFA(16:2) 913361.1443 3509374.651 2367736.182 1976830.773 1151191.427 1251341.027 392581.2296 1022314.664 502037.8044 844163.4592 4439661.265 597016.7703 620972.8883 1672580.861 382244.6356 295253.5808 414620.5519 1823569.336 359210.2183 322910.6626 871824.5977 1346640.231 643968.254 386957.8573 623786.1631 1132202.025 569681.2803 965063.46 441182.8023 1868398.882 444249.9466 618294.5086 427607.4101 1087884.489 21208.00114 1081332.227 792050.3585 1650560.227 967297.3489 250931.1564 770562.6496 2202172.369 391608.6139 754071.7327 601161.1103 1304917.148 633105.3903 1355109.747 887526.2599 1563578.172 712743.7428 410835.7591 553881.4901 1163064.676 344035.1051 482970.0727 759252.6312 2107860.715 1554145.092 436941.2484 421584.6855 1746494.785 611665.6033 208826.6706 994728.3615 2339273.181 546707.1778 527603.6732 630639.0746 1128208.274 1290066.391 1055656.795 470744.3798 1357149.244 773250.1646 1039909.693 Daidzein 93230.30829 63566.61543 34517.84824 477016.3169 99284.17849 101060.1429 99215.6085 59535.49622 35398.17173 12351.15446 12178.67731 454286.2449 121513.7506 96371.85975 261973.792 133143.144 72163.48587 7731.499565 100187.0848 137283.261 69803.25414 35594.93262 34950.93062 44001.5903 77719.83046 72229.30219 58863.72632 337221.1605 41272.41211 66717.84156 90447.25127 316700.6488 5006.860456 20984.55418 65512.85677 81516.18665 10442.47318 35335.84205 34454.21764 324593.2466 96961.77212 102387.4687 68980.59859 193051.7145 128129.3714 114497.5094 53675.83914 143127.0582 18374.84571 135073.9885 78376.16228 11810.22394 85204.0835 19069.31546 72298.77395 36736.70713 58908.87609 5572.508741 48669.44076 692963.6985 6049.28553 39055.24538 16697.47748 300780.7337 57615.12 161395.5659 34607.52183 119782.0926 38346.31687 58538.63747 59840.45562 68120.4514 36539.38638 64692.27924 63762.96064 433548.5394 Palmitoleic acid(FFA(16:1) 192405.5977 10508686.6 8488169.761 6399596.871 8323218.531 425713.7282 600374.868 2591413.118 389910.9567 361613.7799 54788022.83 191143.9519 747332.6744 8311923.825 482191.5624 856412.1726 475162.0038 21922298.68 492945.5871 782428.7453 111664611 5514401.051 3627880.256 1002544.882 606609.243 5218352.071 838400.5112 7314736.218 763871.9522 10945306.37 316547.8938 1265378.976 2224185.542 7039562.473 498000.1514 4116753.42 6936877.426 220017.5412 1070740.099 668861.7851 476905.6288 15769527.74 1097955.062 1475102.551 812092.129 447589.8078 155739.1995 399798.6383 4254790.155 7895984.76 237677.0241 1524408.977 376249.4356 4393909.028 752705.3756 4723147.667 1260856.846 15882283.51 11506861.76 612626.8953 1036511.611 9447537.702 4501241.198 1736375.91 5117550.79 11065621.69 546865.3542 816529.5336 155553.5369 2908253.53 6307406.446 141811.1478 4292476.581 9775169.863 2011267.478 21961847.3 3beta-Hydroxy-5-cholenoic acid glycine conjugate 3-O-sulfate 99251515.69 159365601 144487532.6 84922021.75 77433420.31 103365857.3 93838619.1 63516582.67 89624618.23 106561729.9 83214616.17 90645879.05 63925151.77 89278711.05 53660809.15 58921210.44 80743735.43 91619526.67 76162717.16 69664314.25 75980097.61 85979838.46 61953573.54 68669551.03 123894216.6 121594393.6 119073887.3 101893119.5 74041209.15 88527386.56 79466618.29 86519670.26 126745387.6 131541178.2 147156134.4 139287856.8 58663099.21 77176863.3 67107318.4 61180416.57 104153745.6 118142355.9 107856735.8 79383361.34 106645704.7 143772129.3 118826024.7 124004107.1 58700839.77 89941357.36 65968216.76 65988739.91 192882666.6 164236503.2 187703666 143934339.7 79517249.04 70313175.26 73143729.77 77050927.36 56342818.42 64911016.11 52212511.91 70709462.82 32426994.59 32767337.97 30615361.49 38460840.97 81371166.98 111431733.1 94618656.39 95536484.03 59229959.11 81575600.71 67963842.28 58895854.97 Ascorbic acid-2-sulfate 67883825.75 110851905.3 78292885.62 67677924.64 27191249.12 41754178.51 29262892.02 24237355.82 35850580.97 66690905.13 47716261.85 51384864.87 25715783.76 38614466.74 37935895.12 27001952.91 29407314.18 39286943.63 36890651.15 28573047.33 36522306.63 45065132.23 37813736.64 31123944.04 32140931.12 40995190.57 39364194.39 38390300.07 34780501.7 48777381.02 36580164.23 34121229.15 32068763.62 29713007.71 36053025.95 30044180.68 39935556.93 58983442.81 42128346.54 40793243.22 28936792.83 43578101.21 33881208.65 28085500.21 25717669.47 42214249.28 34045540.41 25276793.9 43443389.49 65137852.9 53061011.42 46227385.74 35293176.55 54646309.89 41400285.6 35968699.66 26325984.93 45006700.66 33009335.64 25136011.46 38727197.68 58393419.43 44949352.63 38111293.68 31925431.08 41080728.89 36068431.67 30770646.34 39896897.48 55272696.13 48038750.01 35423173.07 31615612.11 45099915.81 43958068.66 35504793.45 NegX-RT40MZ141 18942368.1 34471101.19 14739946.24 23742691.48 28278313.37 19356196.39 26836581.13 25691038.75 9683086.8 27159043.87 25370847.09 11330900.91 20802151.51 15140468.7 25176625.98 24740128.76 20921071.52 27768567.99 26953966.11 24221672.94 9289237.489 25346412.89 23202872.56 24529817.67 22459715.49 35270075.13 18621138.5 30154769.24 21569676.53 35879207.89 30175970.53 35852332.84 14604702.09 10079061.35 25010558.93 34988663.62 26201827.54 27890091.6 23609442.8 26242759.62 11751778.85 36188553.61 25455355.72 10436702.49 36485080.72 20855556.93 19411443.63 23198941.3 27889634.16 18366295.21 24428022.16 29356458.04 37624563.47 29597763.94 33923743 24467857.79 18339695.48 26374070.93 20912204.88 25116254.21 22832624.35 36143643.61 25034088.5 23715312.6 24009470.82 20865594.61 23962663.14 26561809.74 18673612.38 36201580.57 26289972.52 37110702.92 27896277.39 24706632.98 33602876.16 27452443.39 Palmitic acid(FFA(16:0) 3307765011 10984598031 8703766049 8341254260 4106725542 3867772406 1770513234 3489942529 2330292810 4586569689 13709977976 2844863558 2215758396 7911302336 1791633081 2463245091 1988696118 8797370881 1344575273 2356418094 3736847291 6064623975 2586527382 2208140836 2306383122 6023447035 3054623789 5069193825 2478595404 8980308119 2327981073 1946776925 2411975661 4983802517 813693251.5 4689667700 3456578832 7378392880 5302048782 2043676348 2475447657 9510896188 3200525621 2537912411 2461595432 3537184515 4549026366 4526099462 3215907637 6467181045 3745555297 2140576032 2111583642 4935811874 1986987019 1993068602 1640179344 7973502521 6756487222 3350425363 2588109220 8265936170 3550978590 2190120958 3261212085 8143558996 1787107691 2400486725 2416980183 5944330794 6202592892 5493065358 2707328842 6975177129 2844072827 4334622488 5-Methyluridine 4397469.688 4476543.237 4045945.864 4636763.146 3726730.643 4203426.71 3592099.751 3217448.65 2143412.686 3503017.383 2921288.127 3139175.454 3453804.492 3896786.925 3800066.89 3598615.642 3321629.912 3395046.015 3577739.298 3535621.464 3680262.923 3369790.19 3728128.348 3216175.576 3819042.305 3524363.511 3739048.421 3638739.067 3946982.401 4414524.58 3929385.446 4150387.564 3576209.988 3558507.474 3965144.389 3924863.455 4090333.495 4629697.793 3805570.375 3990973.058 3959583.802 4070463.71 4193791.755 4284591.992 3666298.797 4463880.382 4148724.628 4016145.918 2799133.492 3629515.837 3165239.023 2843635.407 2997309.821 3587569.341 3616792.656 3623637.189 2747092.377 3280248.234 2991673.405 3274361.654 2607121.099 2939970.475 2907331.727 2765125.081 3207919.761 3220602.714 3236509.829 3279853.345 3440499.086 3845130.99 3917714.264 3551327.204 2937506.716 3430985.813 3488036.701 3192484.703 2'-O-Methyluridine 4397469.688 4476543.237 4045945.864 4636763.146 3726730.643 4203426.71 3592099.751 3217448.65 2988369.293 3503017.383 2921288.127 3139175.454 3453804.492 3896786.925 3800066.89 3598615.642 3321629.912 3395046.015 3577739.298 3535621.464 3680262.923 3369790.19 3728128.348 3216175.576 3819042.305 3524363.511 3739048.421 3638739.067 3946982.401 4414524.58 3929385.446 4150387.564 3576209.988 3558507.474 3965144.389 3924863.455 4090333.495 4629697.793 3805570.375 3990973.058 3959583.802 4070463.71 4193791.755 4284591.992 3666298.797 4463880.382 4148724.628 4016145.918 2799133.492 3629515.837 3165239.023 2843635.407 2997309.821 3587569.341 3616792.656 3623637.189 2747092.377 3280248.234 2991673.405 3274361.654 2607121.099 2939970.475 2907331.727 2765125.081 3207919.761 3220602.714 3236509.829 3279853.345 3440499.086 3845130.99 3917714.264 3551327.204 2937506.716 3430985.813 3488036.701 3192484.703 Tetradecanedioic acid(FFA(14:2-DC) 3980372.388 4155277.253 3169608.73 1923514.522 2313463.911 3901872.732 3509949.983 2510189.493 4287561.108 5261602.848 4840693.145 5508780.678 1792719.303 1998911.686 1284493.46 622119.4936 2057723.574 1768866.365 1486314.464 2700890.592 4059016.386 3911925.511 2938482.17 1563521.334 3728496.957 3730236.794 2642248.796 2400349.29 4182025.468 5499793.815 3916804.366 1936924.313 1610918.484 1867600.534 2832663.47 2003948.793 3185709.329 3670529.007 1927275.445 1288562.434 5370067.544 5225009.238 3192559.274 1734365.789 3648846.958 3753899.97 2966835.001 3198990.98 4822408.985 7268723.602 4538078.393 2368814.899 7585254.348 5890580.151 5315797.193 2928511.483 2296477.186 2259941.775 1609628.608 1204580.845 4549283.696 8773959.824 4653546.888 2264792.75 2773470.846 4532866.367 3603844.082 2550441.04 9663878.247 10206368.28 6129869.25 2275534.794 3813776.855 3878966.174 3809582.747 2798820.487 NegX-RT295MZ165 3883961.7 4935655.947 5517999.574 5154501.577 2490651.524 3184833.054 2977889.529 2869833.369 5142602.192 5259067.878 5770288.752 5719167.536 3909128.5 3992161.491 3731811.814 4122339.043 3548277.897 3629634.816 3472003.633 3209973.913 5644832.951 6010859.352 5846935.771 4746142.518 3720248.443 4096657.882 3910251.605 4284233.194 6080447.827 6682048.921 6182623.4 4981513.567 4777729.066 5000680.507 5609579.25 4784268.166 10009777.67 11235558.69 9802953.502 7895640.023 5910894.524 6699207.809 6891461.659 5409318.285 5062077.542 6318552.331 5841435.825 6230830.862 6755986.383 7940464.136 6986763.672 7322440.152 8206669.114 8528481.514 8806779.608 8215558.147 4015778.91 4722891.091 4853939.443 3940214.492 4297684.5 4935586.578 4576963.511 3663225.755 2055360.784 1969031.381 2051152.399 2057859.915 9491930.891 10557024.48 10425374.13 8340332.762 7263009.396 8892717.788 8920352.263 8124137.744 Propylparaben sulfate 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Leu-Glu 410869.8585 594872.9198 512547.3213 304858.7134 150384.8597 246267.5155 354126.1634 160226.2568 320697.9361 338486.9749 148685.6302 409702.9545 241483.504 394758.3721 292793.4771 195776.6531 222686.3707 268812.4593 363781.4657 250191.5252 469937.6348 443433.0302 212256.2208 295988.6571 285730.7108 256241.5015 366718.0043 198336.9188 282580.4955 283671.6988 281618.0645 333908.5341 45870.12493 121791.3594 124450.6656 266358.6955 207656.4457 434048.4632 472477.5519 236650.9559 365969.2944 315918.0999 423515.3092 254471.5786 374725.7237 786927.925 417158.1911 273385.1063 97843.31119 428962.4603 364871.147 209876.8379 308372.31 298001.6733 468568.2713 305372.1722 265768.5937 312659.6982 226396.7627 290748.1742 388324.3946 218454.2767 267078.8809 265091.987 319605.5499 429153.0452 293312.2404 374989.3078 80397.11226 301379.9138 95927.45906 383406.9865 284145.4106 468349.9452 176180.5083 347689.9275 O-Sulfotyrosine 1969292.894 3259518.792 2467432.01 703288.873 1321506.537 2561773.403 1841792.596 1272343.164 1459896.681 1648753.312 1090569.636 1551840.196 1461284.514 2072907.094 1451054.42 1564226.469 1187736.534 1241307.337 1670156.079 1416768.067 1938443.322 1915977.706 1674611.193 1681924.091 1533472.786 1991841.879 1948066.773 2009647.411 1099918.879 1985302.036 1304131.104 1318403.2 1783281.749 2004655.009 1622594.807 1734444.35 1204329.649 1836082.443 1667887.447 1340487.667 1395276.944 1660237.804 1698026.216 1756643.488 1427410.267 1871803.161 1932255.528 1825231.046 1068028.125 1940454.003 1716889.463 1226362.996 1087545.612 1595608.309 1452680.111 803328.4402 1370480.415 2184458.996 1664650.174 1155255.276 1203705.757 1875045.208 1606433.329 834599.02 1147995.623 1759745.619 1467075.606 1452197.642 1227298.036 1679169.352 1407462.061 1586076.151 1282592.597 2406404.088 1918407.829 1088992.094 NegX-RT385MZ193 65437.42586 141133.881 80218.18894 197052.7547 21646.17089 60162.35971 39212.37182 93858.07178 84393.30322 80387.23921 42516.4883 15898.38644 75788.87143 54457.82636 12024.40328 90200.01955 9416.98903 90117.36101 268769.1258 84127.46117 82104.58443 37929.03865 108043.5458 117765.4736 8070.419865 147530.1125 22351.4874 67090.08258 174814.1259 83303.35568 38643.9423 33223.49586 54699.95935 65008.79636 82879.82695 100318.3977 60207.03433 35109.22478 214395.5272 6010.6108 9924.681513 11919.04086 176791.1582 40338.96188 102282.8946 106563.183 184982.3339 28024.8566 116030.0535 69731.62752 89619.58978 137494.8384 32789.64349 51361.78738 55776.6956 90195.3648 24794.65432 199602.0281 106244.9093 117932.4342 48361.59865 114005.1304 109794.78 32633.11558 87526.48942 170807.4105 62535.25975 114272.8802 59094.91904 193548.3104 133941.2766 33471.24934 176883.7344 93347.99957 52309.54784 52157.80045 gamma-CEHC 4741401.604 4808411.05 4512586.131 2540998.97 5438526.675 6387695.135 4987325.503 4136904.047 6238737.158 5816596.75 4390658.517 7233719.731 3369707.146 3187896.714 2226813.401 4688217.847 3422222.713 2786357.141 5584298.43 6572338.205 4465075.844 4381223.561 3753380.192 4793005.286 2981538.266 2440243.762 2415481.307 4207188.986 4145471.772 4124639.826 4111534.383 4786798.973 10718757.16 8299593.083 9408216.714 8475355.517 4509122.44 4551364.386 3638637.22 5164183.107 4719284.643 4787036.678 3720719.031 3133933.402 5693414.725 6387646.361 5535051.395 9823898.005 7024917.148 7855858.789 7268006.37 8385732.778 7559064.941 5581085.684 4985950.677 3346485.297 7824370.903 6184374.748 6062609.876 6923050.194 4243255.632 4395954.085 2846212.473 3063101.646 3611150.702 3442191.214 2678880.189 4718104.871 6570501.55 6205804.493 5430356.197 3869901.282 2082458.665 1934349.817 1946214.334 4096415.137 C-Mannosyl Serine 11598500.56 27477906.18 37279928.32 61026865 10854636.34 20133173.11 35699586.79 63613139.59 63073534.06 25300850.85 17156787.95 27525540.54 134908231.5 22413476.18 21333102.13 27885643.47 83014806.77 27756069.8 26610362.41 14217630.37 20321986.59 10112598.25 21831778.9 23972203.59 22731471.01 18980157.54 31869921.89 29541480.92 13312412.04 28651993.28 24278775.9 16538203.49 20083668.06 65206772.49 9045043.013 35805855.88 11488260.7 24240175.28 24083795.96 105111450.7 6127075.379 30289338.28 32884744.72 13443123.66 19117275.08 22779240.44 26622306.62 28287246.66 68554722.63 26029341.21 14796665.66 38631947.75 14644607.16 20635208.27 40637328.66 16853345.26 24005067.2 15617750.74 64340191.65 16908684.67 25333061.03 19727934.77 29468670.75 25883660.66 37277050.32 17023770.92 22758073.73 30364098.94 58264877.08 29443903.15 23536368.6 28129802.39 17698994.68 17166915.31 16109815.38 23041017.52 3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid 179975373.9 205581306 213840109.6 159003218.4 76072505.43 94872661.37 90465161.26 89762927.95 219860516.1 235752136.8 242303575.8 255350991.5 114035402 116277162.5 96590233.54 100151144.8 74793814.41 68431782.73 80576557.5 79063094.22 108898059.5 110460486.8 110325652.5 100455109.8 68078664.58 79396213.47 75126139.47 60457858.77 160170103.4 203296239.8 185308747.8 184762722.7 142123693.3 134006161.4 165857729.7 159396667.3 176257036.3 212386578.6 176763462.4 169427003.8 93183318.8 104582287.1 96055547.6 79796542.06 194056068.6 221272203.9 220852112.3 229322458.2 159852959.5 214099923.1 186469632.5 170781090.8 181140436.5 162377090.2 179884220.8 135839632.3 215473302.1 194247375.1 230835557.1 191111405.4 115801822.9 133697787.5 113654931.5 105197741.7 76765763.96 86865229.71 85322101.27 97406576.33 153760795 183000290.9 165379750.9 153766692.8 133583810.2 145327251 149411125.5 116064119.2 Heptadecenoic acid(FFA(17:1) 9068299.537 43961199.9 36597578.67 36775565.38 9398065.921 12926061.55 5521412.707 10459606.96 10058863.94 20256157.97 86429875.53 10366132.92 8420022.52 27970714.54 6055572.842 6896929.036 6055758.598 37632908.76 4305769.521 6159329.542 13181021.22 24795076.53 10222943.14 6883699.092 8995130.911 23110719.7 11281490.56 22364096.42 9436019.051 35437808.26 8726385.596 6286399.651 8930038.104 17058364.45 1883143.053 15155685.57 11987586.25 26585581.99 20968547.04 4928726.256 8370139.968 43670648.18 7223101.667 8616515.648 6058907.21 15612533.45 12686357.56 17196739.47 11848263.46 20903730.35 9838049.205 7642802.713 6643711.628 20935192.38 6793510.285 7178806.705 7193511.489 47257346.65 28268864.84 7075744.319 11045159.03 36041272.34 15398052.95 5429418.797 12558652.65 35793343.27 7985410.738 6782392.988 8242071.796 14702832.48 27392509.54 10127113.39 12512408.34 29949496.73 12496944.62 17123267.16 Methyl hexadecanoic acid(FFA(17:0-CH3) 11705025.1 28488234.35 19159573.32 24060241.26 7015807.081 10456875.31 4656698.964 11146533.03 16133031.48 29970396.86 76162018.15 11534545.23 9051455.445 30130493.23 5434809.444 5298513.017 8986621.434 35045620.43 4766308.657 6452927.315 19349060.78 26538155.24 8737266.676 7647477.075 12206407.18 22055255.82 8012857.19 17559605.29 9298343.213 20311683.33 10150257.55 5780510.296 6330622.118 15018535.12 2955606.418 12813175.63 11931897.76 25079821.12 10561103.3 4974272.249 10490811.29 33462382.67 6233372.588 9266526.012 11125066.83 18550639.77 8863751.33 11317111.59 14974047.47 22448313.99 8579750.566 10264073.2 11569922.94 25618727.59 5688634.433 8952792.678 9489026.338 33239429.3 20185496.63 8392823.965 17096655.06 35530862.82 10262015.13 9800431.421 20596414.13 31628106.88 5441303.797 8833263.947 12797562.41 13618578.13 14767918.74 13904164.12 12782111.87 34439643.49 12006272.99 13213438.18 Heptadecanoic acid(FFA(17:0) 18359226.8 59645033.07 43295038.17 61384982.5 25666238.93 22262158.45 10716627.34 25658733.51 20995236.51 44988090.03 132384295.4 15972999.56 12328009.02 38580864.41 13706706.18 16439066.79 11141045.16 64471115.67 8775381.003 14818927.22 30281495.99 45025283.04 19028585.64 15411772.43 15732031.42 30113363.98 17125739.81 36690454.47 18195245.7 38121393.84 12236350.56 10995024.46 17267953.48 32779003.81 5322754.821 23964999.23 23590624.92 43623187.3 32253627.01 9851286.173 14123718.7 50359016.12 15185617.23 16833334.4 14911772.36 25935528.64 21804256.99 23122287.89 25176447.45 42131977.74 19803066.26 18956318.73 12618930.95 44445792.04 11301633.73 13518560.62 10923591.04 66395697.31 32882204.77 21066036.07 21935057.8 47936350.74 26220584.62 17624326 25952225.05 40727857.27 9123250.156 12808657.45 20522230.08 30650974.38 36631282.14 23756646.39 21678312.45 58520186.5 16250915.7 32824833.3 3-Hydroxyhexadecanoic acid 123132911.8 177840565.1 158465233.9 126083331.3 111963992.6 125815600.9 88559333.37 109971388.9 82483741.43 71245742.51 112241346.8 77290035.89 104392767.7 125437449.7 59234615.18 88941950.75 84774097.95 109901605.7 66715168.4 71906312.84 93025693.12 99114783.75 75485551.92 77584165.45 84018248.52 107366052.5 92943868.52 99209456.27 81441504.32 114850345.4 70733019.62 82207611.67 102190005.4 120275499.1 80832203.98 124998936.8 103313482 135968325.5 90980136.86 101284017 101598618.6 137361758.3 89084082.11 88671771.07 93381779.91 118915039 91740894.88 116581233.6 95706082.76 134152352.1 100031895.9 90833535.9 84991357.2 106212792.4 70398616.35 95326509.27 78246038.69 111488376.2 88681384.89 74508728.12 86287924.81 133921564.3 78778696.34 70006477.01 111002091.7 177007353.1 80033622.19 128718908.6 100138512 115473303.7 107294323.2 117428615.2 92887771.03 143957812.9 104700585.5 102135859.2 16-Hydroxyhexadecanoic acid 428788.0987 1282113.312 1030421.069 871245.1345 227165.1823 636292.7388 360905.8986 365588.0632 312621.6678 348229.406 1094265.617 283945.3231 407828.6125 759027.4706 365874.5126 291625.5421 308468.8507 822447.3715 245207.6654 422015.387 294749.8374 480867.4058 417525.5768 289466.8487 355940.5659 591235.6469 402574.9668 406917.7115 371679.6895 845201.0802 380130.0951 381940.7256 483333.3754 605226.0081 225577.9477 612045.556 436399.9922 614790.3968 625224.002 262965.9138 410121.9222 1142011.011 396055.2468 256445.2137 284813.3938 528868.7713 579740.2509 813589.3044 353503.5199 531076.5537 399138.3552 272735.9006 386240.1621 563552.0901 359087.5351 230913.11 369649.9256 705298.3248 1029000.735 225504.4175 359998.9359 1277954.057 685419.2527 243965.8165 467223.2816 1930949.589 611235.9838 434543.5446 303139.4024 517968.833 790482.393 8766.294934 385926.9398 624101.9728 561042.9721 554530.4553 NegX-RT37MZ197 403307804.8 434117720.4 434868360.7 442267847.3 366137474.3 344850470.4 340230164.6 286738472.7 490970791.5 496425970.2 489926304.9 400244269.4 426824714.4 397484049.2 447529864.9 394216512.9 487673452.4 559012660 512321915.5 396400553.5 490959431 442675977.5 419940096.7 395730593.5 390518984.9 437301017.6 430960850 435149373.7 478210417.7 496244863.3 487938500.4 438549002.4 511008577.3 457562077.3 407939350.3 426457080.2 393047086.8 435419301.6 418068009 395405082.9 377829133.2 366158601.7 386478338.7 379050182.2 497964101.4 410446253.3 460274048.5 447146002.9 431522967.9 358062678.6 365965791.8 397736182.5 385521761.7 462939745.8 423183432.4 319692745.8 505379732.8 534027699.9 524046327.8 467452835.6 450494979.7 474644182.5 447580105.3 420862660 359060075.9 379314712.2 426345241.7 362890985.6 426534746.7 388307090.5 424645845.2 382007540.9 496456198.8 414669933.7 452472106.6 463438412.2 NegX-RT171MZ00 228266.0972 52750.95387 10241.99632 52604.1132 107878.4503 52746.7224 28927.20799 18862.56451 312648.0498 47644.10499 85745.3674 36576.74199 31507.20014 19717.42798 118597.1626 65193.55569 47085.54302 16455.35149 34719.4675 64120.73666 430175.9298 90212.43302 53190.15262 35453.98569 49951.38218 13893.65319 25262.60728 10034.84051 173484.2389 105300.3607 12290.18873 38730.72906 26828.4727 50981.40715 43953.77935 54568.41935 28899.76631 29734.43585 27957.06163 44642.30962 51301.01502 60578.97695 20358.41559 89423.06595 30188.72823 30604.96611 92591.34791 22557.64677 127693.1538 31669.56213 37538.75107 88944.71511 43542.61205 165258.9887 15551.2507 105900.029 720701.5622 20665.58155 17657.85161 92920.35418 41319.03706 28742.35251 62777.10503 38885.1787 39665.69648 61030.16649 1385893.988 82587.4724 85577.08127 64822.11673 42275.19912 82646.38331 294305.2847 24941.61875 75618.42268 77117.95719 5-Hydroxyhexadecanoic acid 504741.0198 782294.8239 461967.6387 390126.1653 410961.1269 447073.2554 307911.0342 343699.8454 250497.3454 401545.7842 450467.4283 364107.9516 83147.40925 543702.3345 123520.0687 287934.3344 360753.3442 371334.7269 242451.4954 402005.5303 232210.6257 286941.2296 422630.8798 236429.9818 299047.4069 338425.1237 345526.5941 179228.0375 296583.1566 346523.1316 286729.0446 278903.085 237179.3387 367212.7753 215727.705 598002.755 207637.1083 474434.6054 304180.3591 408042.643 265909.0286 530648.9019 439990.9911 251478.3891 202868.1429 510791.3744 385931.8219 299289.5879 313222.706 447573.2196 449625.7905 317834.9469 308835.7013 337287.5797 276890.3123 395766.724 486860.3963 129328.9758 254032.3094 232487.9129 283882.259 325543.132 215591.9807 296290.2422 413134.6425 479797.9795 282820.8969 518704.4696 234895.9978 368771.598 271432.2682 460423.3058 310061.2913 550053.8711 490552.391 235768.0785 Palmitic acid-[13C]16 56971571.56 71214531.95 64686239.38 65523205.26 57514903.07 59806726.19 46777316.36 58842453.52 51139176.94 53764571.06 67455231.75 52525033.36 48904959.17 61863701.07 50787015.48 52219876.45 47442604.67 60027610.03 39494753.02 49809207.61 54989821.02 58012056.92 48794126.72 48376886.76 50928275.39 60567082.1 57156880.9 60488215.66 53538714.57 61468096.29 43909483.81 43885914.79 53806017.78 56163088.2 35539564.03 61494707.68 55718319.68 63884207.63 58355203.58 49599651.25 50240301.11 69480198.99 54152768.85 53934662.87 52386429.34 51731510.79 56106297.03 59569002.15 51300407.28 65391298.61 56088047.59 55565115.15 44377133.94 64226175.06 46427070.18 47289146.26 38038711.23 57555472.16 63456324.15 54276716.33 50224405.38 60795505.6 53492783.07 54045046.44 53870591.21 61615983.12 38851790.27 48140354.98 53545005.62 59950981.71 58507433.22 62134102.75 55781683.5 61339795.16 54050818.81 62921204.52 Androstenediol disulfate (1) 69893699.68 80012243.24 82062731.52 75044801.25 46186648.32 46885989.71 44434400.62 46143718.2 147779493 159216637.4 159439684.5 142393472.3 28472723.51 30034497.68 31158037.39 31115589.38 107787594 116872408.1 102912534.1 97996884.84 100165211.6 100400584.5 100495536 93876811.98 146555968.5 144861807.5 144805079.2 142989387.9 102916231.8 107348853.4 97740177.43 98372960.3 91735922.5 84020200.9 86136530.12 87976012.81 79319133.54 78680511.97 80979566.6 66482396.36 118704243 129033147.4 124563702.1 129486584.1 98588148.16 127652593.5 108846665.4 122016776.5 47279572 50254727.64 46194397.61 47863628.13 90558528.68 101761895.6 90801010.12 94061237.81 110272232.6 124416368.5 111487001 115547104.9 97238469.71 93982951.76 93748719.39 82719172.61 63514263 60886164.39 57627466.49 57482516.26 48982262.52 46927403.42 52468404.57 41290635.11 76981502.62 80795530.14 74020429.27 69221939.86 Stearidonic acid(FFA(18:4n3) 325418.5165 1152564.946 457846.7208 448040.1363 23147.03122 368415.8664 72352.59592 397051.2201 73720.16247 16003.17109 430902.0555 380467.9682 97775.54642 354611.5927 13772.34224 47333.62371 135242.8804 548596.8107 53023.48833 128210.4777 201261.3013 304948.9709 22208.38983 36486.40761 44457.69815 172635.2788 71063.71278 89870.31641 32558.80917 399437.2064 45968.38741 365437.5666 45916.90031 242959.7391 15857.3701 247871.2363 13209.79456 477607.2702 13502.69112 201450.1322 97337.68908 347954.4958 47038.47101 9535.476486 139530.4028 353176.0163 112944.5651 555340.2212 314920.3934 743294.8679 166155.9208 138019.503 59000.66015 51470.61736 59375.0781 16498.4642 243970.24 565476.7879 283229.2747 58380.0286 48485.70786 308473.2645 8272.558149 11414.84505 253690.6657 498083.7573 94969.88947 288164.4643 62625.20698 218248.0325 25677.03978 456894.7237 76047.78167 342316.8622 87191.45688 248511.8611 Monoethylhexyl phthalic acid 16180.93145 7480.964498 67475.49377 9872.336104 21467.1102 13452.07409 3628.97885 11528.20446 9183.557334 443987.7663 7026.706379 13349.85817 3756.907905 6645.071483 14669.4505 36842.06479 3113.532617 5099.052036 3092.192448 3591.112275 14846.98469 5751.556466 12716.12853 15132.40509 29330.18064 24090.3161 42211.65768 6872.333158 10724.55498 6243.220562 10104.74392 5163.944302 5288.675192 15030.70952 7686.910193 8166.733445 22137.30551 13878.4183 13347.31407 36742.7933 22893.00101 8837.801372 23301.5482 387559.2148 6903.020247 46104.07753 37014.75048 9919.660848 14617.07048 3218.301206 6842.589678 367403.4195 58342.30415 12778.04954 36241.5821 5655.595707 7323.126965 6686.776529 5257.540204 12815.15676 11487.96169 6221.264081 28060.07994 10704.40283 4531.830957 32197.08439 7579.558944 29612.58527 10203.90705 3477.682748 3081.491956 14568.0231 12493.36364 13990.2045 43140.65834 7133.827371 Androstenediol disulfate (2) 24140595.43 31686819.04 31374332.68 24997634.77 19830107.23 22219948.55 19869175.64 18988649.67 27107586.14 31573247.25 29275453.12 27261836.11 16966031.3 19164096.75 18124486.23 18792422.73 28244006.94 29903103.09 25894786.1 23391889.61 21248762.66 22535558.96 19997752.94 19224648.95 25625037.51 25361112.62 23751070.92 24350212.16 29292340.29 31208746.21 27132079.87 25607819.3 33458847.01 30681863.32 30369859.51 30217841.56 28255786.94 30048868.67 29015715.07 22454136.17 43778475.13 49765781.22 45345805.56 45993561.75 29211331.43 39563831.27 32134600.28 32210402.4 21325461.38 24955465.64 19272379.65 20691694.68 27179461.81 31453395.61 28917394.06 25599095.37 32503046.31 39724065.81 32014201.47 32278429.6 18581215.76 18590276.98 16056285 16399892.27 28085074.75 29331235.39 24364982.06 24404889.19 18843161.84 19472030.5 19628109.47 15631923.49 32623698.24 38253495.1 34151682.78 29698349.49 Alpha-Linolenic acid(FFA(18:3n3) 121512960.8 598651793.8 456136033.2 398326960.9 130632276.9 147516689.8 42658425.54 156351496.4 67721068.8 157011135.7 838975278.4 100386529.4 50340961.14 177416695.5 33383804.17 50055906.64 114250710 641585841.5 128730436.1 56801215.2 146385803.5 202549739.7 81264096.3 72096865.44 49886062.58 135843785.7 77809568.34 110670778.5 65516921.81 300660664.1 62565007.77 81411155.69 121171251 216314059.9 46272147.9 218127299.3 129804223.7 249091674.5 215494980.5 59650061.86 82789446.78 368021080.6 62566642.23 78668598.46 114517925.1 199026152 174773413.6 245282102.7 210346687.3 340651384.1 183277798.6 115105057.1 60130239.43 220436744.3 78864255.78 78242794.88 118365458.9 545958068 472274244.6 108932620.8 72278935.97 317125536.8 138009399.2 48366772.94 102405197.9 325953595.9 68909983.27 85523078.96 126133703.4 223572033.2 386637178.4 123688077.5 112601978.2 219639644.3 114497875.4 215376791.5 C-Mannosyl Valine 40947957.28 66242824.13 132353753.9 68953981.35 16726425.18 30768985.25 62109778.22 60600434.27 63258121.93 41425483 37519248.03 47351703.44 171901258.8 41109854.86 34551441.23 41686005.86 76002525.3 36439558.22 55511302.34 24849281.15 35017806.64 25642038.74 42446704.86 33448490.85 35133952.34 33814290.26 65564735.19 33128538.79 35253547.98 46142759.83 77466082.76 32734820.83 19511577.49 64572524.52 11988779.62 63291274.85 23551647.16 31283926.83 37714637.23 115415346.6 7025289.93 48244183.48 75733531.74 15419934.8 39462233.18 62931767.03 76952323.44 70985845.85 71924701.99 62175006.94 49186942.54 46462225.38 35923382.34 27491634.04 92252397.44 27414072.36 54612119.28 28442764 67823476.83 27311772.41 35994353.63 28655274.17 49558189.31 51467621.87 58324677.15 51439195.47 43057116.07 68608556.58 40180138.12 41554094.77 38101815.77 77121396.24 27149935 30701202.21 23910620.62 32865314.2 Linoleic acid(FFA(18:2n6) 2286522687 11498736568 8744478908 7550431575 2786712889 3805946379 1007359119 2971481082 1124199213 3077553330 14074762403 2156912118 1320680976 5957873220 795416206.9 1068640074 1523600964 10022023788 1444954104 1069011159 2725036051 5136699495 1861506639 1395894709 1215318983 4643426237 1814946071 3551871377 1304386604 8933460504 1235066185 1567110869 1938532411 4795098917 524755188.8 4774874967 2371613132 6775724981 4215526387 1211281816 1551349620 9552674781 1305377422 1753997655 1726333787 3052291673 2930678152 5455625955 2976817685 6894110967 2925879725 1575357752 991073735.6 4565135883 1233649181 1500526312 1695353734 9275381575 8566786361 1708952582 1319273664 7709980613 2663338590 1050484906 2002568440 7672424073 1285166801 1206367242 1916642713 4979912204 6534672100 2582760969 2042691966 5351191059 2546988526 4130464538 3beta-Hydroxy-5-cholenoic acid taurine conjugate 3-O-sulfate 14028043.94 32021387.53 28654750.35 10965673.87 7367510.976 11254749.6 14963979.13 12592493.91 20413692.89 29479221.59 30067676.62 14814965.08 3559638.377 8612427.458 7412677.028 3965536.854 11542245.75 16317952.11 12788387.05 8273080.235 8017648.714 13726442.52 11302529.36 8548463.136 9679693.575 11511941.92 17620725.37 11581431.61 18574851.08 20885568.88 19560103.88 4860923.057 8083588.619 9704462.619 13680042.8 6964668.497 4413014.033 7954604.332 9513620.677 2789051.032 3566702.821 5641399.585 5371869.579 2143869.148 5701797.184 10719367.91 9608308.087 8187327.071 7188145.805 10162725 9619104.054 6374587.017 12007143.48 18203033.69 19657895.37 15026877.74 8566479.507 14106200.78 14256173.42 7616674.262 12277068.4 13935594.31 11147861.08 4033833.942 9553050.865 11619813.56 7753934.141 7978753.244 8164170.6 13079072.51 12962212.84 14701000.98 12991807.17 19373995.91 14435893.14 9252057.9 C-Mannosyl Threonine 23491192.19 46965112.84 52548438.68 76137568.22 22170279.82 35285508.94 73873645.69 95402492.03 94495513.97 41233845.37 27966737.78 47151324.05 179577791.2 33917777.1 40261110.36 46794655.44 114665580.7 40665408.28 42494283.16 27533219.96 35126455.06 19280660.72 34658045.23 41103565.07 57405994.8 44957752.58 67144817.35 56486063.23 26551338.05 44108691.44 41748118.8 39068005.43 44621395.83 105736120.4 21227461.59 62502109.04 22124933.37 46662733.06 47556178.73 144277487.2 16092278.8 67322237.51 74342282.66 30935360.47 48557635.18 49380331.26 59511928.17 47072338.5 102431868.1 46464585.79 24884361.62 63744117.8 28595080.73 37117779.67 63525067.11 24859868.59 42842391.33 28468933.54 99682518.61 26323215.84 50673242.26 34607352.83 54786598.66 44036257.69 60796428.61 24662918.37 39330825.06 44880338.83 109938561.8 53968915.18 45155888.74 48151636.15 39493220.86 32665003.77 27344729.24 43541297 Bromo-tryptophan 770113.0976 733870.6539 711874.6542 623443.1344 1063454.529 1183919.558 1098394.541 1078405.623 784880.3791 824507.7374 700798.0355 807298.3575 638096.587 604393.3582 731361.3384 704931.9593 820846.3383 720529.201 792118.6001 804033.0926 837757.8712 796034.7547 888361.0617 838106.0224 956550.002 880003.9333 895933.9898 896031.6486 1034442.503 914199.8887 1050228.079 1039435.716 894185.4123 704284.113 942393.9456 805641.9726 1754462.142 1694953.764 1595937.011 1401818.455 1155287.2 926693.646 1088675.482 987682.2813 1094182.642 1234446.837 1181155.42 1096431.815 778472.0208 848714.694 808564.9053 818792.8377 780314.8038 800391.7768 744930.9008 754228.8802 1208117.095 1137840.245 1091504.147 1033754.17 842190.6741 761097.4844 805778.4122 755222.6597 920153.8304 807615.6679 903626.7543 884622.0318 1030908.421 983848.4864 1069800.456 913196.5372 1222705.461 1221449.371 1244188.695 1089721.746 Oleic acid(FFA(18:1n9) 2610178865 15864538419 12433298140 11652831572 3648782942 4573745490 1113005965 3379831754 1869852477 5523204510 20253118127 2758887283 2423710120 12407776589 1590049006 1733796224 1511441965 13021936679 1041746521 1532849402 4017589767 9162868663 3460842273 2198246853 2576305662 9324829862 3951680416 7562195236 2242330943 14807303693 1925649471 1641364397 2289871661 7546794916 329179622.7 6009317751 3642568033 12416399401 6683236396 1676545258 1842410922 14913879471 1918108032 2569915454 1702433990 3858130210 3993045524 5766323279 3096330477 9517685919 3254378761 1542751180 1488331699 7179916721 1749856971 2006823366 1440753075 12086513299 9576884220 2596230639 2280705989 12226388289 4457161772 1183960709 3547588415 12973745077 2008542615 1362714886 2125925095 6612037861 8184480578 4163327965 2823612974 9996866790 3634267655 5261921527 p-Cresol glucuronide 53382.32425 247895.2176 67530.20962 34821.73731 365035.7916 735042.7732 253503.3625 92788.0539 196714.04 376165.8154 55341.026 33714.82146 127614.5186 167418.1845 91255.46113 261598.5315 2268704.503 2726248.12 386560.1585 350371.0912 804148.9318 631495.139 357524.6398 312489.0092 6958.409283 14305.28956 3209.910289 2251253.939 125905.9808 387085.0273 100173.3423 134025.2596 1250402.045 733589.379 472922.1616 870971.6734 6376.400104 91140.45831 3350.708339 45844.12599 371472.7746 386864.0118 201780.7489 569557.0036 8340.988476 96770.81027 40538.86962 57051.27236 283167.9507 665465.1192 150257.9893 205700.5759 155247.1835 289913.6341 247601.2076 207042.7647 76252.63262 187380.363 55397.81487 157837.136 114545.9775 258869.6542 251540.4693 367261.7134 401300.1618 776505.7544 647355.7608 367371.5418 55472.04576 139027.789 195078.9707 526427.4316 1587.368407 89762.27312 44292.43056 5179.581187 Hexadecanedioate(FFA(16:1-DC) 164943.729 242649.1928 191082.5882 254470.0936 1118342.029 698275.7552 466648.1185 349558.3841 458658.2308 278920.1045 316981.9991 377903.1787 211798.4896 194250.8339 160134.4363 212100.0603 175316.5338 177267.165 146943.9174 172459.9647 111283.9442 139948.0114 130081.9333 187298.7193 123033.2584 121384.0556 119320.2949 112018.3844 196233.4758 148416.8491 182560.9739 479511.7074 222725.7522 218041.7984 264868.0919 172322.4469 214144.1297 189853.1075 284409.1059 291411.3393 927221.9568 648439.1023 363838.282 179470.4694 486892.0536 377497.0324 271476.0769 456295.7212 197262.1589 187596.3241 147651.6482 196833.4968 181387.1576 67070.71436 207678.3643 149115.1864 117038.7944 120026.7561 131759.611 211492.2708 145979.9744 118789.124 156594.7302 144265.1619 130361.9915 204814.8177 110398.7924 251111.1612 168844.0462 239152.5903 188725.5866 569409.1943 134869.0782 182405.9204 144881.0035 691443.679 Stearic acid(FFA(18:0) 1917893459 3807504399 2554124258 3327374978 1925662263 1832970168 963047716.9 2195575167 1418711828 2088201648 4260831645 1315753424 1107158055 2207509091 1357111252 2207715040 1010691533 2828777486 823113673.7 2155927690 2058389674 2591143552 1536233307 1723182065 1402650851 1593740638 1528931838 2118517364 1506199654 1992426822 880779413.3 935150613.8 1333892775 2087627069 606924052.3 1803105583 1768607793 3229853762 2830953495 940165550.2 1182054774 2654343447 2537503315 1520269304 1314916357 1568748700 2821660812 1668950204 1783333927 2758054010 2111636801 1553002335 949994798.7 2294671439 1102152223 1329297401 778708854.1 2519793214 1984490400 2082174234 1418989391 2377774058 1759043746 2204515804 2005256680 3025237809 796890708.2 1657269985 1674811501 3577948224 2090052810 3103661221 1373947620 3908457830 1126166952 2381194415 Hexadecanedioic acid(FFA(16:0-DC) 6393407.308 31651141.78 22118255.74 6653851.255 7836121.436 9207456.991 10572060.61 5288689.273 21227069.96 17033889.02 32833665.72 11689664.68 7831719.129 14258171.32 4984036.963 7275134.788 5417042.648 13064093.34 5879524.737 6523219.009 4639470.76 6444978.664 2778848.418 2640553.847 13514853.23 8870293.641 10602962.39 18250007.58 10295554.78 22434570.79 15130282.22 6618335.74 5342718.981 22931904.82 14055265.55 8398983.276 7701886.626 27964341.74 10542203.71 7036552.111 13533323.21 29874692.99 11343189.32 7168959.628 14433776.6 13160431.6 13483805.72 7238811.333 7355473.232 27439352.72 10652651.41 11883355.76 4386884.774 5754920.665 4834992.851 4856398.825 8357786.717 20752259.04 9588428.055 4586854.513 26063345.69 24657856.3 9018829.111 10403184.87 9132764.198 32630552.93 6578296.035 8768622.789 5520614.974 14286740.92 11665476.1 14651143.85 7920977.239 29021044.68 5609804.767 5110226.08 EDTA 21340780446 18947229389 20773407504 21317543255 5716497294 18488734300 19640071226 19634692988 19484778491 18871266465 19259789247 21009061026 18628395214 17512956373 7734483672 18920326132 20388219861 20847631896 19410040445 20121211639 5612902817 18533166384 3688327670 4839920958 17445280629 4840052140 8179069004 8760077721 17332024297 4320295895 6988274403 6131485424 20785472674 16115151581 20327590272 19693126399 20716484107 6018864940 18073567564 18124858990 21051899513 20517972973 20753887518 9358332964 6195463344 18900386535 18980242328 19325799143 20249556561 19097629510 5140640949 20402993841 8911432794 22664607940 21073746977 20975679364 20455712303 20161669836 20035931119 20237876342 22170185831 9345447935 21560969172 20805332040 20266502333 19862739952 21244939386 19386774303 22614766690 18930762331 22615011864 20532519367 22482662580 18613013649 20952140776 4554760997 C-Mannosyl Leucine 26815927.04 31092593.18 93257490.71 50244927.13 9183799.306 17728116.5 48906920.79 45904801.35 53092440.5 23588554.06 24477535.55 39739553.58 101315231.3 28633607.07 32802311.21 37173950.94 55375434.82 20448917.85 35768658.47 22466550.42 26620868.19 17930537.07 32534409.46 31900306.7 33221530.51 19955479.42 56347877.36 29662743.27 24150820.14 23874711.23 44595935.99 23028340.07 12302082.63 34064634.29 10200994.64 37670236.55 20561708.83 19422490.41 37340065.07 73525910.29 6071392.229 28577488.69 57847432.17 15226284.55 26803539.77 44694382.05 48375898.42 45702133.88 34290122.09 39854681.06 31547779.66 31749072 27400559.02 15174496.35 69320126.55 28869808.86 33366903.71 17234855.25 43708870.19 23354106.9 22703204 14331041.08 34797341.51 38654073.03 48211738.42 24678501.87 27436584.97 44310157.99 26150879.65 24858455.51 27845262.09 41905668.34 17562807.09 23792519.56 14452174.54 24610896.23 NegX-RT464MZ239 37825.57927 259088.0837 159195.4596 204578.6839 19263.98271 128649.6177 349356.915 139878.4432 94229.30208 179001.8573 137200.2108 90942.31217 84747.6309 65864.54128 124972.3324 199932.9186 42468.03011 181835.4141 152175.8286 178623.0898 88729.36914 113644.5104 189055.0308 130608.3723 92163.8533 94727.35958 42503.96913 34890.63207 68144.67035 101092.6918 125594.8757 121914.363 66819.0481 119707.898 342863.0626 12032.46926 39714.90009 79648.25249 241059.0335 51703.68713 198607.7996 130042.6759 221610.3245 156342.7466 196661.3901 168837.4438 250046.7255 119855.401 208388.9061 26758.74379 69641.72963 352612.4366 25825.4474 161589.2539 124788.4545 10083.42027 72773.52392 31565.75938 151905.3257 119156.2364 127569.6233 242889.6686 124641.6335 30698.10974 257497.5877 76642.42197 182547.7904 99006.88266 51358.80492 132609.2841 224488.8895 385155.3666 204667.6083 136594.091 105214.3868 84296.17525 C-Mannosyl Asparagine 288371.7866 2169267.595 2945887.535 7373707.505 32811.23461 602977.5175 3434615.609 6463498.027 9862948.695 1513169.05 356103.0241 1461781.764 20339283.5 647676.804 1319008.335 1126438.588 12884297 500624.483 1295346.798 417773.5929 438259.1162 229479.5984 387231.5954 386730.3852 948275.6009 604430.5427 2794858.192 1758517.707 523062.9162 2644763.235 1788931.417 432316.7013 185935.9706 8650634.892 228978.5792 1680182.162 425518.4954 1407384.533 1572097.22 16466831.03 66377.43969 1828607.087 3888174.008 290411.6632 283001.0584 864565.264 1602738.156 1660840.358 13027629.88 3054628.225 570838.4227 4879269.823 211395.3678 386807.6513 4636583.563 474209.6876 1085925.387 257779.2385 9694679.657 446987.4189 890913.8961 203759.2271 1810244.083 897814.6785 3506002.019 293173.1283 2889763.819 1425246.618 8887180.835 1917090.689 886303.0204 969514.2581 609138.8477 216890.7384 345232.8977 435039.9165 Hydroxy-CMPF 13696742.72 17357619.23 18220760.92 9716716.375 14681771.98 20024668.6 18267737.92 13638959.2 6945085.991 8320583.06 8542795.069 8564789.499 9082676.52 8644074.179 6979636.639 7158938.085 16333859.16 14252913.24 18436171.66 12102351.36 5685364.336 5664067.741 5478444.325 4523973.046 8807906.523 14447528 13556086.5 9804801.398 34327155.48 48635768.89 46788759.92 39073926.52 6027443.488 7515819.558 6088516.833 8960539.738 8875332.566 12811189.35 8672734.358 11547338.93 7386453.067 8718539.801 8261983.259 6276629.519 18138471.23 15276457.34 19365757.33 19227485.18 6156311.426 7735847.885 8378534.982 5633595.784 11222594.82 9311046.254 11843081.09 8531323.052 8264171.852 6674593.585 9108193.745 5620634.956 8610349.718 12223018.18 8200640.791 7201007.204 8553677.813 13221733.37 12728863.95 11345816.03 9939585.296 12762092.58 11386395.15 13722297.14 8496550.286 8691286.312 11815454.4 8410959.615 N4-Acetylsulfamethoxazole 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1786 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9-HODE 268527.5057 599049.3892 409255.871 274198.2097 250515.7434 461889.6622 250030.6261 304368.2613 139964.9728 141767.5606 238279.3173 98793.82578 248433.3525 490431.5131 167191.3829 174082.2105 168728.6334 309146.5915 252108.1106 114097.9391 142997.4839 188442.0136 118423.339 89853.48314 82120.4017 214758.4126 113787.7996 87790.75049 147493.8823 284036.4896 150266.6138 263725.198 165947.2447 160037.082 163781.0418 230921.2309 103945.9669 2275.950798 168670.1717 312118.6047 208436.0246 688476.5445 195691.0122 195401.3811 676722.9684 317769.1741 213463.2426 389317.8301 67637.90328 135520.022 226948.3984 101195.5334 191578.7354 279795.7826 155039.1788 112649.9535 149422.1156 259756.674 529532.5307 39915.55038 127203.1908 452617.0939 187086.1922 132801.6925 318185.1933 674485.5957 270464.1916 126435.6622 4879.674063 400084.016 324087.3737 165893.3007 100244.0362 237907.164 266160.341 142532.3437 Tetradecanedioic acid(FFA(14:2-DC) isomer1 1603699.549 3778718.801 8609573.927 1624052.08 1657997.79 1956234.135 2428741.847 1232263.716 7468296.3 6385227.581 25210494.02 8886335.294 3077598.085 5940149.811 1380447.151 3314774.764 2098901.146 6895827.092 1817470.61 2875991.722 1828206.673 2691081.443 1117221.885 1271382.017 6485059.095 5156495.993 2969813.741 11226331.78 3957950.904 9452965.351 5792406.447 3528816.633 1841270.399 9074737.452 3074158.364 5142831.851 2200624.034 8739234.143 2845274.066 3303892.471 4844613.49 10012672.51 2566394.459 2967529.393 5603007.911 3886962.399 4218179.387 2463594.643 2659673.108 9809531.045 3339717.984 6005046.454 1975301.895 1771020.139 1632393.623 2487667.88 3531199.505 7403108.324 3917442.637 1940300.206 10759128.66 14870960.03 2158499.474 5704648.197 3624131.572 14519537.73 2450019.117 4493504.288 1178953.208 3142275.88 2485085.047 4496695.87 2294298.754 6788767.709 1857549.772 1069858.143 Nonadecenoic acid(FFA(19:1) 4159198.351 15895251.87 11191174.74 16893872.49 5022014.764 6022114.382 1765112.002 6169266.549 4826936.621 13690160.04 35077690.97 3893366.912 3634201.696 11879196.31 2503203.697 3289723.232 2618482.141 19974013.33 1861566.665 2847054.734 9075066.691 15502878.47 5105347.684 4194081.956 5828360.297 9782132.695 4550501.659 12043865.2 5094873.944 12057228.02 3006973.489 2692706.557 3183541.74 10003492.91 677505.1157 6060824.793 6707737.27 14292530.64 8227339.316 2139163.831 3478327.581 15104368.89 2610970.616 4635767.093 3283562.762 7439625.095 4435361.911 5216554.141 6820000.269 10734977.1 3615171.631 4105319.453 3314408.986 13732898.63 2454312.696 4054785.867 3011737.217 20357125.31 8678455.337 4372141.268 7355948.061 14050941.62 7078992.853 3418098.084 8743984.156 13945047 2428963.647 2919103.457 4487543.815 6697581.819 9342621.637 5879294.94 5258574.994 18223648.78 4664668.237 7611565.284 L-Cysteinylglycine disulfide 10710226.74 10636847.39 9447823.735 6182294.725 4645199.975 6075163.731 4177553.087 3920771.072 5803284.578 7657410.269 7575600.294 8631595.306 5066209.884 8171958.181 6467273.275 9285331.213 7713766.168 9462199.126 8037810.142 7512067.457 11260082.1 8562966.935 7056875.93 9234950.877 8760241.731 10219857.83 8379088.961 10374368.27 10996973.18 10488375.59 10161834.8 10223427.37 8200977.354 5759440.421 6790709.737 6790602.922 5492367.918 6997359.142 4116574.838 4846674.211 7540637.521 8419191.084 5854243.641 7681649.169 12263160.36 10465955.18 10196343.47 12830538.06 7808855.746 9643568.79 8487779.741 8934038.619 11276383.14 14100274.93 8014394.125 11628368.57 9943423.484 10165025.61 6719078.383 8753388.81 11721602.58 12214189.89 9500429.596 10589376.05 8267971.97 10968642 9269373.802 10733694.29 6332034.726 7515442.004 9321068.121 9005373.517 6885695.934 7032103.387 6333757.576 5777406.889 Tetradecanedioic acid(FFA(14:2-DC) isomer2 274140.0739 301658.6807 239765.339 546805.758 1710658.681 1705100.958 1281985.693 838115.1283 453143.5513 394514.957 352259.9931 520758.8495 471794.7716 422450.0417 287051.3764 375504.4862 232765.4481 159202.7639 179963.9865 223903.4833 262839.5765 267481.0237 239684.4654 413981.6007 177142.6495 169594.8512 181269.9822 12129.56717 342747.6755 453663.6083 412472.2868 1289716.893 547145.696 445939.5664 528681.6734 405878.7412 285766.4648 348945.625 239497.9681 746542.0363 1392761.707 1344969.913 911711.1303 376408.375 896467.3894 836348.3245 688209.3774 1225727.863 347081.2955 455476.1762 346997.5717 636329.9296 367655.6574 263768.2367 330023.0982 235841.193 252859.5205 217142.9723 221444.7356 515372.1291 204328.1397 255705.3444 208941.8865 245251.1015 205418.6823 181973.3298 169056.7891 557674.9833 273578.8871 276993.3909 225295.0907 609673.8107 113822.61 136094.606 121923.6714 879679.6404 3-Hydroxystearic acid 11400426.61 29299790.73 17845085.79 13692897.02 9876808.894 22691477.35 6621325.223 12528410.6 6950255.841 11672765.57 15161400.74 6986031.321 7265592.223 16652712.96 3908164.762 5512122.975 6785421.581 12987800.4 6035539.654 6902618.069 7179778.081 12973770.31 6827496.589 5116249.814 7512336.088 11921524.61 8341274.131 7898804.166 6312490.626 16482657.47 4327744.422 6252997.635 4051991.249 10666715.85 2758566.476 11387978.53 5716787.118 17774361.97 7413161.396 6104969.952 6737304.433 18999983.8 5421393.558 5558720.97 7328207.63 10268611.53 7515319.981 11015656.02 7406320.416 28677580.39 7390955.249 7195208.608 6506758.367 12514306.31 5898802.213 7989814.827 6716645.806 29793723.6 11633081.46 9199896.859 6790391.017 21523642.74 7134190.191 5529579.265 12767630.56 26919574.4 6551494.03 6806420.514 7797986.051 12109770.84 8761063.768 13165427.54 5835201.493 17062579.7 6202279.291 8518339.156 2-Hydroxystearic acid 36516746.38 45067829.33 37200049.78 34042103.92 28246150.34 27108177.25 17738483.64 29325615.41 23493671.22 21320441.55 31455613.64 19181328.28 26052607.13 28080623.81 14897529.04 24384264.13 24547969.23 28853190.27 14391864.09 21046923.45 29258134.35 25539546.36 17093081.88 22059613.32 23526269.34 24579542 22419669.54 30106637.55 26068479.82 25310914.52 16237935.9 20280875.35 27438911.7 26680325.51 15727011.46 32799991.71 31024341.42 34218599.63 26814641.61 24342746.11 25857297.46 34460805.08 21687523.31 24610517.37 26718889.37 24201215.59 24928775.72 29501528.51 26477140.12 35706599.92 25516945.41 28559322.49 17837117.84 29748841.45 16351128.89 22561375.72 18836421.75 29511734.6 25898621.92 25241937.79 24972899.43 27999292.8 19273060.61 22790200.17 34363634.21 38820359.29 14760200.33 29054773.22 31262586.35 29599672.24 26743589.38 36605430.75 26535283.29 37030702.42 23405094.89 27390705.73 12-Hydroxystearic acid 286242.5982 400628.0569 413470.1347 232153.8461 21821.77315 368315.1419 275011.642 242248.4453 154577.1989 103312.5659 117898.3595 213761.24 61624.51372 247411.6307 159835.3846 211149.5893 308139.4999 146820.1056 326180.1903 175656.5614 130509.6802 92354.30467 156960.3493 161136.8861 228448.0317 204304.0678 270641.7796 73167.08861 192350.8093 262940.3724 56446.67141 77627.32602 96986.51214 79519.35197 24370.26197 16185.01607 32275.05346 308097.1689 340449.4242 234016.774 47143.87904 269076.2067 198685.3157 192925.1131 271339.1845 248047.5364 34015.2374 244306.9061 208544.5354 332237.0553 343978.7369 101263.1291 169231.3869 258442.9137 368228.3698 163942.9511 145842.2558 82002.39337 279919.4813 35152.56475 44851.88739 14206.03859 201494.2687 89971.08875 171389.2707 11219.37985 307846.301 34980.23747 136614.4247 164462.6427 293716.9469 349807.7344 209766.0362 208883.6108 247571.8334 69931.67793 Tetradecanedioic acid(FFA(14:2-DC) isomer3 130942.7116 154097.2054 126539.3973 357832.8814 1088491.819 1027858.754 782701.95 470462.5728 214869.9373 194426.3817 231745.5354 266178.0855 259772.5338 218602.0378 172993.5764 194308.597 174987.7835 146825.3142 137403.8597 122296.7655 108187.3166 139396.0954 105940.4618 199501.3718 47332.85025 95159.47244 81151.93689 12110.83214 155013.1604 193437.2401 181714.6708 814901.6829 176703.6596 152363.7918 208069.528 149845.2391 216483.1746 189191.8456 195473.0311 517928.1568 677426.6289 669931.7086 470716.1379 182995.8003 530689.4512 508192.7476 377946.4734 683811.5864 123702.7122 168273.2167 123556.1892 345929.063 175715.2322 146174.8981 163890.8961 164092.2097 132106.4689 94935.90584 92519.84797 337727.3526 101566.4406 120985.8842 98741.50922 191246.9177 163580.9491 86148.87416 97655.46235 385180.7144 189607.7581 219172.3509 157737.772 386531.2731 86470.2271 120531.4558 106981.3734 624255.5015 Eicosapentaenoic acid(FFA(20:5) 13358135.22 24850249.54 19940585.23 20243405.94 13247700.66 15894125.01 7686589.402 14179685.82 14076911.61 16159229.98 34952762.5 12181925.95 4535037.86 6863721.158 4132960.757 3806541.313 4113122.275 10346307.49 4441953.401 3955313.773 6407077.415 6269346.326 3885534.274 3915405.249 5604403.104 7583461.151 4772625.304 8597756.793 7640389.234 16411201.23 6068686.368 10504747.54 4504914.201 6873391.924 2576268.466 10412397.62 6017116.104 8159778.639 6083175.665 5202138.053 4792517.003 9264516.087 3602883.987 5001828.208 6879232.398 8199144.859 6577107.544 17697076.06 10670013.55 10397404.35 6813479.923 8413441.483 4655600.304 6924688.028 3971165.587 6246599.515 14301472.32 20894550.21 19987387.97 11156895.29 11352116.35 18721976.5 9595916.099 6223423.436 14837856.45 19743519.01 7864309.072 10135601.88 7323590.482 6515522.753 8766420.077 6933425.283 6121778.354 7766641.794 5163072.506 5196769.787 Arachidonic acid(FFA(20:4) 267164970.3 658531472 437908111.5 449962069.3 253891645.6 332632390.2 89270337.29 324510150 163921986.4 258563601.5 623267673.1 182770895.6 138957284.2 281673420.7 81145220.82 109613929.6 126146290.1 386738633.5 87636332.35 104186674.2 266918765.8 290512157.6 143243432.6 154434221.6 122881116.7 220820626.9 108237229.1 227387757.6 160158564.3 450850393.4 98862439.49 155250393 124021254.9 214263790.5 56808095.25 286976406.3 160150639.6 273290851.4 148606145.5 102245894.1 115312359.5 306200946.6 80127780.58 124382658.4 149807654.2 212629833.4 155145572.7 424284701.5 254102440.5 314173939.9 139095070.4 169015954.6 87918219.72 188007340.8 82571906.16 122318625.6 206613023.8 466955665.8 428894438.9 212500460.4 195649051.4 422014878.6 184370508.8 111698703.3 292815473.9 481744066.2 126342735.9 170007345.3 179381674.2 186623887.5 239307479 195580001.5 116305627.8 203742890 127022040.8 148654935.7 Fluconazole 1 1 1 1 1 1 2832 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2670 1 1 1 1 1 1 2102 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Eicosatrienoic acid(FFA(20:3n3) 54514150.79 144454530.6 109019302.7 97556105.56 48958183.63 69545558.34 18955384.29 61448487.59 29708071.45 57793895.83 160917213.3 33552326.25 28601034.95 74716299.73 16166269.71 20053860.42 23535253.31 103390439.1 16367187.77 22151430.53 46773497.45 66398069 28532114.28 26191431.51 25634156.75 57394222.8 25267493.49 56360308.46 27078933.38 99756417.57 17071859.42 26165984.58 20651753.75 48085340.58 7087903.961 54210108.51 27889301.18 59170867.99 33058118.98 15723182.21 27603871.4 97317280.82 22821681.69 31509330.6 28487272.71 41241808.38 35826629.34 65623442.17 42645264.04 71117366.82 26984059.12 27594033.33 16383727.58 42813279.77 15827655.79 23335370.85 36873167.09 113662786.9 92084152.31 35893939.33 37752561.47 103108380.4 36049606.82 18817107.45 60756241.32 114467485.4 23152509.45 30626545.7 39199199.47 49720619.15 56390740.13 42869766.66 26689775.58 60725878.27 28560374.03 35402253.89 Eicosatrienoic acid(FFA(20:3n6) 6558234.82 23377641.73 14502310.91 14210517.34 4664442.476 7104520.119 1357979.505 5542545.521 1511625.386 2353876.914 13055333.25 2367347.687 2847529.885 9502523.253 1197495.572 1175059.566 1546924.472 12592234.11 962662.4262 1358982.069 4487562.918 8945720.769 3330491.715 2226154.539 3812375.262 8320133.392 3104366.713 7335721.217 2427282.32 12272422.17 1399371.381 2346331.379 1700359.199 3336006.532 363022.369 5243412.346 3272963.276 6750706.464 2307772.41 1531208.205 2563445.792 12309778.09 1407300.778 3375005.57 3086463.252 4200453.392 2998618.138 6462768.909 3355181.625 7613564.495 2108515.182 2227358.697 1332897.115 3383182.507 1354139.698 1846123.985 3785419.05 13354293.6 9953007.625 2518273.256 2871516.042 11266763.33 2767735.109 1448275.897 9891241.258 17667222.41 2396660.9 3154842.077 4039828.256 4122428.861 2971979.073 6214248.038 2585264.225 3539411.468 2369217.267 3002873.009 Eicosatrienoic acid(FFA(20:3n9) 46264.13993 73686.57739 51816.75197 32624.87697 45057.31276 48009.62032 18187.36119 32531.10423 1795232.353 414907.6751 32961.08531 27381.18929 21863.35595 23151.04379 47169.64352 140433.1823 19456.38787 35157.04293 13861.46311 1534012.933 37070.06115 92760.55125 3575576.463 2526579.133 4268427.637 32137.44519 14759.53894 5733.699941 30909.79486 20206.71668 15229.19908 13456.12142 53202.50885 95804.28599 428631.7604 17484.06498 27699.64935 91498.47039 31616.49704 21362.30464 16981.06484 39471.4047 23362.27159 3848198.619 14979.36633 4994075.9 74846.06051 17168.2388 39901.88524 26412.03343 16008.3875 5630.196919 14176.31897 5738.342891 15129.3122 38400.73979 23921.84527 44778.68742 18453.60222 2793311.297 48031.686 77706.15162 76212.50646 37020.65645 27771.85546 112937.5595 23707.9677 13553.71951 29430.45455 16803.54667 69396.44817 36143.52258 5646.056311 42170.8279 11632.92846 52620.09843 C-Mannosyl Glutamine 44705825.63 90054736.5 127899913.9 148543758.4 36456116.47 68312130.96 142544555.4 202426852.7 152922451.7 96444240.3 67872246.83 91749470.43 313300922 64702795.61 68139818.51 90361008.92 203919428.3 76808157.91 78930125.5 48273137.24 74798360.02 42337479.75 70609678.11 73258113.46 73247367.74 57155274.68 82817436.04 89270573.21 54338838.32 97654182.03 87122263.14 57332361.74 81243680.9 190239210 48691055.52 132856650.8 44174057.47 100713802.6 95367989.78 257116287.5 23494010.32 114165432.1 113945734.7 43264767.04 74356787.79 87564204.26 115238942 137295409.5 228229998.6 117682010.4 58949686.54 141865828.7 58187711.59 83382749.84 131035791 60772013.86 88352973.34 70471878.69 185790287.2 63087737.23 80169308.71 69954179.53 107448491.4 92077932.25 124679661.7 64116009.72 84345097.23 104490806 187008519.7 121875386.3 95784336.74 102896513.7 83575325.54 74309538.43 61763794.49 88050319.05 Eicosadienoic acid(FFA(20:2n6) 31610599.84 117698769.4 83304249.81 103681394.3 43529322.71 54101727.41 15801182.66 51282401.03 19748335.27 58178766.66 175850488.1 22810937.84 23752021.69 64283179.11 20153809.73 19724319.42 13586486.97 111261831.4 13126433.01 20167156.9 48992496.57 80565067.58 35505300.8 27768122.13 29287036.31 51538543.45 30957526.92 69615075.69 25474146.9 83181987.91 14534989.03 18226936.08 21817655.49 69792404.19 5359141.586 47320606.76 29934010.9 84331646.69 49289101.51 15024975.17 19426589.38 91558925.67 21753838.38 31777079.84 15578038.39 33891929 32161980.44 46183082.56 42253344.84 75782170.19 28718811.44 27265184.94 12652173.67 72655135.87 19187040.36 26411807.31 20593576.7 115827144 57444477.82 30863480.75 26563887.43 81946119.84 41858126.17 14300339.64 50738484.08 101410493 18126742.44 18397776.53 40547325.21 53371143.31 69058954.1 29860033.48 30310603.44 94014217.4 29466110.94 51095466.31 Eicosenoic acid(FFA(20:1) 18621313.7 110155442.4 73359086.2 110946214.2 33566290.3 40405207.63 13099835.14 35504698.03 17526417.47 53678512.57 183664244.7 20951149.87 22226250.98 69272160.24 18598951.29 22384958.66 11904487.6 102925984.4 10697696.46 19018371.44 41844766.58 83613591.33 36193652.43 25118378.06 34592258.65 51541690.06 38070325.74 77563644.68 26843806.07 75165521.08 14268732 15890379.37 17387768.39 74419288.38 4803772.102 39942020.17 34143286.92 105215369.3 61063247.58 18249445.59 15388553.94 89226188.05 21691985.48 26179366.4 13620941.18 32587860.4 37561193.9 31707156.34 22763391.26 75547264.4 25829784.92 18128636.42 10968541.19 81317601.31 18841171.58 23398057.46 12280070.59 112218256.3 54418887.39 23760525.67 19084758.16 65025019.04 43546710.32 15449960.35 36574321.42 83125449.75 14900906.02 12297247.76 26242405.75 52857177.87 66232243.77 30165582.52 24355743.02 124842598.5 29050189.95 45071065.53 Hydroxyhexadecanoic acid isomer1 484984.7848 1567336.097 1266956.721 990133.2595 721407.9759 1057723.714 488319.9857 654623.4572 359221.5306 595690.5729 1126122.019 354882.0364 369543.6045 732527.1025 336122.2956 240615.146 442049.8995 1003727.57 523181.7728 309270.9002 664790.7897 618786.7958 438021.5954 320019.8387 415216.6719 604153.8907 610861.8251 455512.4863 477370.1454 911381.6437 543648.4665 526225.2713 380421.3944 449213.9298 335809.4573 830472.1327 563483.9288 738603.2859 846263.9843 449024.1866 653002.7303 1109301.13 612195.5414 442765.6899 524671.3787 1009100.449 900349.4258 828182.6585 507185.8131 697737.1581 706003.5847 324031.9788 552225.5457 600085.8153 596577.6978 331244.5512 481443.6019 991189.123 1071771.157 404447.3496 481206.215 1306498.259 682828.3725 404868.8268 773044.2251 1595406.873 722647.3404 551284.2908 461743.7997 659794.7901 1097168.965 692332.5058 486903.9882 786590.2366 477635.459 626509.4267 Octadecendioic acid(FFA(18:1-DC) 141318.3634 149987.899 195318.9641 216013.7347 282226.133 333161.0652 322608.4689 184331.7477 118181.9378 173363.8596 130574.3797 134358.6277 152198.9196 117110.1215 118368.9384 109570.1335 116403.4111 103260.9425 83396.09811 136169.9843 103555.3471 106927.8547 109826.2074 109809.9808 45187.5347 86494.71112 90650.4137 54666.95134 229337.7102 158533.0148 179321.0323 238058.8106 134990.782 195203.6491 181880.8561 179116.9627 166239.6026 234268.7698 109851.9408 200307.5014 201728.8826 138372.174 165248.5506 81429.79536 156271.7948 151113.7953 185160.9306 260138.1502 146063.6034 163177.4361 179830.7716 120321.3318 133256.1444 115440.965 179416.8275 126728.3134 126920.2792 104567.2649 101473.871 120119.7319 130433.6787 138323.3125 101567.3886 174149.0441 103154.9266 187107.7551 124368.7543 121147.899 148273.1343 135197.3301 179378.3686 195988.4418 172898.3384 253289.9865 170798.0036 135397.3906 Arachidic acid(FFA(20:0) 23698605.77 42492537.41 26338754.33 39727482.39 23755025.34 24669368.66 16706357.41 24937719.52 17018070.17 23293017.94 42381594.08 20418372.88 19748053.04 20907936.39 17884007.69 25909399.69 17964078.94 27625693.4 14391163.92 32819208.05 22107149.5 28074423.14 20776347.18 24422575.13 22389226.7 19154961.78 23457301.01 25751151.05 20761925.32 18949334.59 13548810.28 16206297.86 18663005.8 26630694.95 12362235.61 23047396.03 24899253.7 36524552.63 36882375.18 19845049.46 18208236.62 29364212.34 32317017.37 17444720.67 19624720.7 20631038.89 34004823.5 18785384.6 17926133.58 34887584.81 26228061.23 21289284.49 15072740.76 27951140.39 16710997.98 20382869.77 13734568.69 22812887.87 27451539.24 25185659.73 15259310.08 20508542.27 22702229.94 30621339.76 25025941.87 24324229.07 13250151.16 23241288.27 21702982.66 38994058.55 22725459.97 36057613 18232643.65 44506284.24 17734817.08 29112728.3 Hydroxyhexadecanoic acid isomer2 33959.55354 1873.955045 36897.07329 8775.289668 1567.678874 33203.36188 1646.011625 1771.289228 1770.8048 1803.555104 2552.486508 1505.059234 4708.024951 860.6120706 10082.69938 6282.391897 1053.823997 13588.22467 20653.60361 18534.3821 2006.388779 7213.996584 1558.286568 2781.256688 10423.73335 23575.88755 1364.249635 3482.553515 2827.591506 23334.5868 2009.489599 972.9165527 4644.601707 1128.016902 2507.513538 24840.07228 16879.39271 3086.590705 2825.85948 2877.248428 2702.15943 29031.75834 34668.03603 3653.622366 27633.47964 81016.61846 1263.212342 22260.49575 1723.836049 9087.513976 17607.41196 3680.864586 3109.456505 2984.516464 41138.23158 1469.69344 944.3544178 1430.27672 7581.598418 2495.15267 85520.57344 2539.3088 5909.902792 6707.57896 1630.816027 797.7833205 30699.62919 1377.499216 1316.192363 28768.16194 3466.981939 13831.79845 1263.178606 6131.137784 2345.598184 1569.416566 Phe-Leu 844261.5135 1281926.725 1024173.264 584868.9297 500465.4006 874219.8091 629161.5361 470515.0868 496667.413 647427.6392 411366.1901 651471.3126 781901.0101 870483.1824 846282.0143 789957.7528 592018.91 825201.3735 957791.0032 763222.3098 712320.3802 751167.1086 869200.2604 734517.0482 722353.5693 1335810.996 1228165.568 892902.3697 811557.57 1539097.139 1197292.153 1123288.776 595807.3462 518356.3953 789426.3281 705100.502 460290.157 640085.9624 483908.9126 473793.6358 671017.0755 605852.0847 646516.5222 652131.223 629978.3906 834576.6599 835581.149 689108.548 429328.0314 833793.6905 716957.0948 579226.7427 891277.5933 760822.4136 893715.6339 691220.6832 785054.0322 717854.7379 922966.1505 602797.6099 648806.0127 710828.903 559021.0195 463399.0898 638087.4967 1022092.114 987099.7301 819833.3997 533968.7225 770763.2656 784037.572 801865.7855 519417.8614 668111.3572 689528.1009 580525.0985 NegX-RT539MZ295 499094.6228 706081.1808 512070.7778 335926.9544 430227.5207 397473.7026 251050.5806 129504.913 186934.5824 488337.6673 713329.7456 599308.3378 171924.129 452031.7123 255577.865 326030.0154 233738.2007 547806.3953 308806.3349 315558.1174 291299.3592 598971.8445 224582.8522 319261.8642 414396.7689 210988.7491 168667.2142 395293.6392 221286.0639 314227.73 161093.3637 293199.8875 140417.685 528469.4923 123561.0585 276633.7058 188247.7095 405866.9312 352002.6296 230789.2617 273888.1668 457571.0015 168488.3859 187347.1823 554716.3824 433750.353 347852.5392 450201.3189 417718.1105 256127.5902 411018.2338 321701.1151 169936.2171 266128.4936 257584.801 273339.7768 102746.9496 518228.643 502903.7161 193699.4672 387191.032 867216.2091 425209.7123 135608.1255 114752.1296 692187.7347 292131.3438 143228.6239 216633.4888 266235.9341 733009.2118 298180.5211 390592.7999 967031.4062 275755.8168 398261.691 N-Acetylglucosamine sulfate 5102014.086 9689956.891 5903054.114 3712814.994 5393255.303 6822083.556 5091316.004 4786817.26 4968695.903 7737475.479 6048452.986 4762870.021 5705287.42 9026004.454 7508172.616 6578899.325 6618272.535 8991920.774 7443031.994 5304095.774 4849726.093 5447724.045 5283472.596 4499171.951 4746099.657 6367114.814 5706164.953 6774598.346 6802369.272 10595966.68 6977127.927 6008610.929 7152909.046 7268591.555 6770913.92 5826602.18 4181219.017 8015530.707 5324668.76 5115091.764 3923427.011 6675222.549 4565426.92 4385259.068 8529528.43 11671979.43 9181870.766 8531140.61 7318799.824 9630991.83 7453837.27 6242799.592 4960655.084 6983687.625 6106220.265 4935026.546 5485388.1 9564234.065 8466214.498 4998258.018 4393805.341 7219063.231 4706688.43 4258714.287 7048504.898 10652408.4 8824409.96 8878096.694 7314682.969 10155105.03 8367468.567 7874722.127 6153658.968 9946829.248 9110904.801 6091564.679 Octadecanedioic acid(FFA(18:0-DC) 657084.5944 714480.4972 628478.8972 1038336.565 4747416.768 4594288.509 3317502.644 3452070.826 1216596.166 987575.51 884255.5974 1495034.041 870336.1433 850305.6849 598368.1449 750089.8422 798454.7923 653177.9268 656381.7608 703964.0599 444638.5377 409353.6038 307799.1768 727147.2425 233883.6541 257098.2051 252953.183 207589.3673 691569.5728 774956.537 692185.1838 1339610.683 341176.6456 340883.8379 454212.6302 340144.3826 1320568.999 1095394.531 810337.275 2025625.149 1894190.539 1607609.69 1123600.227 550207.3343 1603265.27 1506267.501 1295058.55 1393668.393 471210.5564 632098.8901 520652.2227 796147.2422 1257117.144 913206.8715 837336.1818 417604.5703 412274.4101 418415.2061 363595.1637 1550678.984 437420.438 472877.4853 353407.5939 565896.6434 381254.2085 397417.4296 380257.3925 1462821.913 422155.687 483423.9109 340404.4068 5593570.575 355798.9802 513410.6637 378809.9103 1949307.322 12,13-DHOME 617521.7987 2387086.661 1677611.734 1891017.789 1338250.154 2315755.644 1617802.383 3019517.507 923312.1112 757919.4708 1678569.191 1874739.467 629745.4131 901606.2948 630046.6435 1349289.837 1015883.292 1332968.174 1266844.563 732899.9185 1164869.205 827984.637 690935.8775 912618.453 565567.9731 721143.832 826617.5199 801933.667 780827.2417 1547958.813 1113900.98 2081988.148 977869.7961 1002791.695 1389442.451 1058202.55 885433.9877 950522.9187 970663.4786 1555878.159 1245684.496 1451691.872 1185723.373 1854229.664 1005242.747 842769.6168 1227569.352 1305547.505 646377.2372 1026551.432 1311483.852 733836.8167 896089.3416 668732.161 649023.7149 2012429.534 510719.1994 731975.3406 971095.5446 1708165.186 527370.5268 1252536.659 912716.5871 1374464.792 1075814.365 1495321.508 911720.4611 863032.4964 931795.654 971899.2431 1438294.588 2039543.105 910655.9182 1005968.065 829413.4221 1310621.535 9,10-DHOME 115346.3249 544941.4999 218524.6171 122992.1242 45836.55729 101194.3362 195262.3585 123231.4975 108755.3544 133857.2724 259470.6117 120839.1031 67963.2484 67574.89045 10295.04628 69532.69341 92346.97344 313878.9343 125772.2453 105181.3533 86601.49964 160225.0148 105441.0013 82404.72579 70200.27581 164993.4878 57941.5748 176594.8499 74748.56853 128730.6701 135439.7343 129583.9071 74418.99165 85235.19147 2382.222425 81779.24696 60935.41153 159912.0868 30987.98917 53450.10299 136510.0625 199282.4641 93891.18222 96741.69169 111794.2056 126914.5455 91700.28647 164796.56 57486.39748 151855.453 155174.6984 32452.99705 22844.66385 8844.741658 97851.0988 138017.5213 144889.8427 117266.2114 61524.41539 103520.1705 57797.11461 164884.358 43312.17981 93945.73182 105154.733 140421.5863 71486.84478 102953.5333 91880.18705 117746.1782 63475.8574 318511.8171 47697.13445 131414.4015 58911.14877 110581.4076 NegX-RT439MZ313 46561171.62 61720208.97 39459010.39 35500149.31 30029872.2 33507105.88 36632189.73 45064652.99 28870867.77 31988659.47 20693031.72 31691512.74 16422098.17 16742282.55 10033633.79 16630444.84 12422058.33 13962914.75 5627096.104 11706268.99 20175966.96 17751113.5 13857575.26 22317082.72 12339540.56 12115406.46 9359300.843 14986277.39 24508355.22 25544335.64 13439253.4 17580730.38 36104170.63 32993183.17 38581102.55 28815598.49 19320486.39 24723120.17 16091583.65 16077114.78 18000101.84 20146187.78 16477713.41 17584486.21 17404694.79 19783133.31 12071403.95 21315909.87 55015238.45 62816531.88 33852842.2 39284603.84 11597337.11 16669477.82 10001556.5 23059658.78 16639849.8 18323622.73 10206167.21 16446069.06 21747680.54 28640495.38 14315528.55 14842409.46 27639219.32 31686081.14 27053379.27 33925462.14 28983056.9 30545153.46 32359500.24 32761227.6 48636353.19 42709368.37 40612803.65 24543865.15 Stearic acid-D35 96937835.4 131045012 96234582.35 153767528.2 125764187.8 98192981.61 82062311.48 127443630 119557890.5 130236557.6 172792131.6 85453713.72 89818331.97 87576002.08 123987283.6 120755926 91534409.95 129609770.2 69519373.83 113111735 131474913.3 120073220.7 118762122.8 112509270.6 161267534.5 85072314.16 111112581.7 135920960.6 133141724.2 76175450.05 70578748.41 80732012.63 121994621 112969988.3 64388877.4 103767539.9 132649362.5 107394026.4 129440696.8 96185529.25 88573071.73 107931337.6 91780370.46 120935926.1 96201285.33 115062948.2 98929372.56 90696913.24 102361889.8 110605796.8 93114639.19 143183600 75126246.48 161866351.7 77408465.93 104010295.7 64970099.1 123405747.9 98237586.76 119083775.6 111775899.6 83053162.84 123969427 149096133.6 135131558.3 89905119.75 63428286.42 82603081.34 141164220.7 89791647.53 149713210.9 97551161.39 129786143.4 127438172.7 100653751.3 147270208.3 15-HETE 1320103.961 6022571.967 2967443.729 964931.1161 1158508.409 2464673.146 407290.1937 620018.9197 883916.7042 2864052.208 1386103.164 873808.9459 340863.8693 1806828.785 262165.7888 361790.2059 419444.5852 2262051.882 397154.4261 619593.2875 605797.1699 1944265.513 388625.6375 521516.8382 286925.5082 1202498.071 477794.3949 688854.089 628253.9089 2461003.482 742656.2724 658702.8609 430382.919 1249500.792 406674.4805 959884.4318 582105.553 1302547.107 448945.9266 611423.1457 1142784.315 3712462.612 750570.1739 525266.9598 515648.6759 1290258.156 660862.7675 741753.6571 690054.5922 1373436.37 897243.222 425965.9866 576262.1207 1217142.79 1683970.199 480231.2199 1522217.957 3045706.142 5453821.655 948786.7215 708608.1449 1483767.498 1550870.932 325399.3441 960807.898 953045.4714 747538.8913 331097.4883 636152.4486 1153466.914 1398212.374 562846.248 165582.5082 676539.8953 621941.8329 270129.3799 12-HETE 8220.392557 8021.594898 7327.448631 23800.34741 11819.12996 19041.41738 21610.24235 7653.868855 89469.45632 12086.15181 8593.292419 9788.242797 5492.751891 5467.377646 6984.621836 11705.91928 5271.437596 47495.51692 10310.21232 11504.2149 10729.14775 6973.167819 9277.089306 21466.66015 6570.536388 10561.00934 4344.333499 25614.04156 19965.70135 5961.037553 6876.824284 10398.84431 8646.556715 10714.96726 11066.39711 5561.652729 19420.95504 12711.10457 18065.56595 7265.106439 4697.88907 6603.742798 4300.363374 21314.07275 5254.87489 50022.25903 61959.54931 7034.51324 14758.80226 5928.564692 9626.218865 7966.016502 10133.26884 9637.435202 10141.74441 7765.706281 12066.98305 78426.19119 5478.884159 24954.89196 10511.51565 12167.07415 12677.20299 28565.93703 11796.97709 5827.472382 8206.664563 20808.91499 51468.23555 5811.296041 14286.86622 12443.98602 10774.45648 7558.20676 6493.790686 8283.325835 11-HETE 1302160.749 4067155.411 2254462.243 1631924.029 725660.8243 1776432.493 569350.2433 897541.499 310967.0839 1302570.353 2125900.033 919594.5567 368440.9578 867971.4606 164411.3325 381084.642 435026.2663 1441405.075 791713.0369 446839.4426 613770.8305 857647.4227 336897.5774 450504.8732 291099.8768 622948.5021 353867.9899 434738.6439 332816.18 1253194.647 271790.0573 579071.3813 671428.6412 806991.8316 262087.8124 864471.512 490668.2842 941285.6886 527408.9117 319331.9308 572483.737 1445228.626 435091.6076 373526.0606 636724.9574 1185779.796 686425.879 1640452.486 920279.7214 2234972.989 662272.5413 594448.485 478910.7949 845075.6784 567844.4396 466776.7482 1115028.769 1640902.373 1696610.184 502046.2869 696412.8453 1495471.832 539555.2606 170244.381 874790.3602 1503733.126 497195.3531 612077.668 1047687.15 1133992.138 1191372.238 747469.6333 707025.4738 1026237.329 624878.4605 775418.6999 5-HETE 2504451.807 10822397.04 3895649.697 2662903.203 911165.9982 3174024.192 472347.8137 1491930.383 447611.864 2431808.206 2629203.908 1163254.664 866497.384 2009858.481 267715.8827 675915.6931 970893.7796 2800470.043 790008.2654 825894.3855 1415277.545 2336878.436 710435.7444 1035158.765 665904.021 1282142.401 527747.7695 918927.3556 1069835.632 3960380.386 500161.712 1062213.674 579623.6279 1709174.348 285938.5725 1123571.344 708695.9514 2101365.19 615646.0362 650410.5609 642025.8085 2273974.074 412246.5764 729330.9977 949187.1286 1524180.983 654384.2179 1858808.517 1753966.508 5706877.87 843988.617 1427468.599 683455.6879 1760404.516 461147.3612 954913.6359 1558030.91 3519673.5 1958981.454 1334597.42 890467.5174 3197409.485 527545.9265 478544.167 1575573.756 3897627.127 606347.1422 1302027.334 1382057.191 1930688.81 1184711.083 1456158.542 783724.1247 1851427.21 555310.7917 746877.6316 Oleoylethanolamide 1829699.026 3256494.798 2528448.859 1034236.024 73483.5471 2179513.358 1259238.465 691640.6275 215967.9448 169011.4202 237780.1313 1462320.295 1687251.204 2131597.16 174664.9941 71397.6588 1779469.747 259826.5364 1310876.062 1350255.569 185514.1593 253500.2238 399328.5001 446596.826 377484.6468 1777240.422 1806719.989 178542.7393 766384.4656 2246294.195 1290969.757 1730425.294 70908.77468 1059080.702 1111850.184 2033448.845 167552.6063 2461428.536 899729.4619 1699435.419 1598235.181 2822160.567 1531331.036 72998.08102 1331669.34 422716.3546 1289581.886 1856961.92 376521.1502 2590217.125 1405405.912 150470.0033 1410633.124 1826447.781 1599684.962 1277246.427 1438614.538 800011.6579 2090461.97 181483.9107 234023.2767 2297645.165 197073.658 144755.1664 1282301.492 2166916.15 1207330.605 1748143.986 840923.5624 2302285.51 894292.4088 1833009.928 190405.3332 181760.6439 1932940.759 936954.7272 Chloramphenicol-D5 1013619353 1050531895 1056973938 921052610.9 895946406.8 1019848960 1021218803 961176850.7 938748242.3 922294221.6 913174930.7 1031823654 1019121499 1058756400 931715818.6 897103988.6 1126689694 933526662 1060222665 955167503.7 952453654.7 906653821.2 905837004.9 893797336.9 970411455.1 1030391117 1052657263 947936924.2 956416831.1 1029401778 1034785540 983753426.9 920208031.5 922826890 1018485434 1023600014 962608362.6 965717806.8 942644182.5 1026851866 1085925932 1015216860 1040572561 954790144.3 1020690726 998331656.5 1058678672 996721986.7 947193145.1 988978289.1 1037549950 934534845.5 1077737771 870553334.4 1047042466 922493445.4 1021149420 904738114.7 1025113327 901801939.4 899935299.3 1078935151 911790211.9 914860251.7 965629320.9 1076155707 1056350296 994026063.9 938220230.6 1034711492 929880491.7 984410809.4 918926949.8 926079533.1 1008535538 939443671.6 Docosahexaenoic acid(FFA(22:6) 62862.55084 268706.5087 36740.72886 328799.2271 207002.7078 89812.8959 79901.00679 122316.3461 106914.9631 120916.4123 63519.10367 93452.54428 27224.11306 100621.2293 79881.5932 55727.47715 9443.25241 250738.8312 13706.43605 109957.2857 41184.7154 79349.73329 151238.4727 4697.339157 52585.33155 27722.14989 15832.68803 437863.4529 172900.124 53100.23672 14370.95528 149816.5364 141934.3266 97905.91416 11451.95855 45468.92851 96648.14042 99019.35301 65283.77474 25322.23402 16917.13298 35642.26399 12193.67586 132158.0661 63197.43001 67910.8194 104172.5652 42544.69145 96701.02545 132041.1359 18728.94283 212587.0939 104082.2482 109782.1651 15151.4332 42266.94785 77733.80766 156990.633 63728.46734 68906.97495 118335.9208 12475.74345 55962.50538 99071.92727 46927.81115 202245.5355 115437.8201 107149.8616 114181.0935 123221.8023 77185.2391 59678.63945 126565.9469 60956.43116 39150.7241 319032.1191 Docosapentaenoic acid(FFA(22:5n6) 34234082.81 79226812.04 58212380.7 73139295.9 28213810.89 37869902.02 8815537.07 40947751.09 17672628.44 37280356.95 110273633 20126276.25 12246659.3 26625690.55 4037668.111 6711983.819 8077489.782 45721904.83 6192601.583 7034794.707 24420614.75 30295370.25 12680833.36 12586445.86 11461350.84 21243079.77 9614645.473 22779628.7 14587287.6 40282930.14 8013837.58 14262346.77 9267262.33 26790657.85 3173618.31 30907236.57 14252711.6 26780246.34 13744435.31 8785339.173 11203052.49 30018325.92 7110251.485 12546074.79 13738454.59 20382225.16 14910651.07 42496679.91 33690419.71 34102589.64 12573065.44 18370872.19 9510199.322 23434554.43 7088235.559 14549361.87 22327800.83 62816049.42 37441151.25 22949349.06 20180271.93 44702327.04 16270737.33 8117692.425 34539235.67 49982736.78 10276302.07 17189020.03 24748099.93 20541647.42 29447945.96 22068298.05 12282176.95 27614218.62 13070449.67 17636986.98 Docosapentaenoic acid(FFA(22:5n3) 32756584.16 86234965 51422760.9 62392574.83 21429347.85 28938830.09 6657173.869 40223280.85 7094628.665 26143746.69 70268967.26 11727697.3 19056861.19 46324778.42 9260623.775 14902691.19 12525711.17 79831875.65 9905494.112 12826994.71 35884896.82 34027521.72 14284543.72 18454966.26 15197405.67 21090506.53 10194796.42 27782818.25 11202773.8 34653971.01 5507815.323 12204320.04 6305419.552 21284346.29 3031224.266 25821588.79 13085516.01 27083426.06 11605643.71 7832776.746 10679951.7 27340658.51 5690568.045 11899963.38 15929151.09 26984453.4 14742800.87 35652879.53 32343371.75 40962146.84 11998505.93 19650464.26 10208427.76 24779320.44 6254504.943 13407301.89 17867797.7 47860749.52 26293562.02 21343613.11 21181710.08 39336571.88 12386815.03 6070544.418 45039447.67 60097953.86 12478409 20016274.49 21319982.69 15606912.69 19126403.51 20499973.55 4349009.414 20157492.11 8562761.687 22343356.74 Docosadienoate(FFA(22:2) 1308390.83 5355363.304 2683341.129 4443515.786 1809274.661 2448574.814 688110.8828 2234684.648 380889.2005 2466497.496 6558932.498 857740.9906 840120.2182 2138298.804 623381.0106 925483.4254 635433.725 3089319.224 382424.0497 682314.3549 1966538.588 3049137.317 1421700.338 1074958.486 1453873.786 1433185.221 1263927.861 2438139.415 1371240.719 2425465.273 467119.8748 840754.0216 671357.1983 3147208.601 220593.246 1560731.84 1686127.789 3576388.48 2211405.277 876958.6806 998756.222 3538491.659 833201.9818 1207497.876 625994.2405 1744996.229 969175.4011 1549093.945 641114.4704 3237933.192 1026744.929 959758.8383 557307.5232 3541998.655 696876.6712 1113799.316 701757.9885 4266878.031 2424841.598 1287421.314 823743.9313 2842867.302 1924831.007 455166.0724 2808081.49 3012091.952 558958.3512 821635.8948 1800379.401 1956967.355 2404453.362 1398152.977 897293.3191 4476078.65 1284046.983 1753811.923 Erucic acid(FFA(22:1n9) 4164810.889 11560552.94 6335529.268 7713893.844 3083887.875 6316620.056 3226561.828 3487595.299 2280646.783 5096848.872 10070623.31 3921794.662 3685294.805 5254117.154 3344471.329 3301431.713 3408472.268 4216381.029 2704067.131 3242182.285 4316054.66 4806902.913 3850934.461 2097019.015 4351814.066 4224345.79 4880189.339 4205636.021 2971858.223 4994503.986 3130101.201 3882697.531 2546383.018 4059047.159 2271627.39 5143954.391 3296805.11 9481871.141 4335760.861 4191132.73 3810033.77 7532360.502 3402171.734 2731364.732 3483150.485 3433999.316 4056077.349 4240114.551 2399518.553 9112868.75 3380617.362 2369082.804 2998682.126 6217467.475 3197014.049 2444839.141 3611777.726 12492234.38 12147549.09 4371996.504 1812320.891 5640050.667 3491293.465 3196992.874 4840271.836 5810839.803 2943704.199 3080733.912 3554952.513 4762376.984 3686240.141 4158047.887 2358149.065 8759886.281 4642330.975 3694608.949 Behenic acid(FFA(22:0) 7494130.527 14449601.24 9244309.486 7301977.733 4950023.052 10728105.06 6963285.853 7544700.598 3062361.414 4095119.656 8007687.162 8719316.308 6679671.033 8038189.368 3004280.915 3331187.883 8861833.533 7328174.548 8629057.542 5420010.56 3973238.996 4166374.954 4673126.511 5008879.842 5485908.073 7997272.998 9569563.357 4145605.492 2916273.6 7123077.619 6688307.219 10860419.29 2368864.119 3819205.693 5964989.901 9391945.439 4587333.936 13523599.04 6891943.046 11061287.47 7241970.72 11768525.14 9744450.993 1045308.799 8879267.601 5056554.402 11055836.84 8116966.142 2227307.496 14036551.15 9696514.39 2632191.139 7018993.35 5246308.71 7246301.509 3474766.896 6253079.828 3437440.455 14486763.23 3929808.218 261337.8777 8500297.417 3767889.567 4723884.73 5514365.459 8984900.494 5189700.031 7397259.286 3872295.676 10634355.92 3424864.52 10190895.19 2321731.91 9698109.731 7537700.221 6237612.001 Eicosanedioic acid(FFA(20:0-DC) 250616.5756 148231.1713 206038.4993 136194.3095 278022.651 398762.6247 348023.8959 178831.6709 379615.1306 386757.4375 415868.3642 542791.4961 350718.7985 384624.4845 233433.8916 296837.4363 250308.6947 239709.2086 339555.2128 277347.7218 248160.9435 339361.5093 256953.7261 280855.228 174982.5469 265236.4635 169489.2493 131010.2121 82089.83143 191163.2475 248203.7728 163312.0162 565655.6686 512929.8061 737744.8741 584803.0089 493969.7007 566513.8462 440537.7591 562536.2085 249339.0317 220927.2235 211184.5712 115766.2887 267908.1001 259150.6689 219919.3385 334932.1265 391568.409 481994.5502 423151.8935 383490.6571 500423.4975 336579.3752 406064.9482 359995.873 91165.16118 6506.398302 148325.551 111554.003 107551.8878 214441.0077 129444.1359 190274.8835 172752.7452 128087.6802 183848.7412 245197.8057 313202.2666 347246.6017 265571.0129 263037.5772 250228.5233 249880.8222 308909.0208 220391.3243 N-Palmitoyl Serine 6002509.33 9684708.376 7308940.458 6573985.995 8040752.501 8223195.663 6599863.103 7525996.87 5510773.357 6515026.1 6472521.546 5095162.211 5528756.394 5777947.459 5628814.629 5415768.31 5795507.238 6351636.863 4421778.751 4441906.391 6119168.53 6390938.695 5086956.042 5131601.149 5526408.712 4839105.119 5395954.429 5435185.561 5750446.279 5998148.378 4945315.869 4823514.689 6973438.228 7259435.29 6312594.231 7112703.478 6682469.031 7664065.317 6413763.807 5666677.578 5570378.753 7664135.637 5515253.269 6178271.193 5310523.38 6537009.161 5445250.072 5188543.792 5413017.492 7455661.391 5230249.308 6189362.503 5998335.165 7774397.793 5694701.914 5886416.483 4265495.785 5637798.589 4744101.295 4677785.444 5480478.507 5813370.949 5012810.659 4684896.564 6238078.653 5889485.13 4297179.193 5449035.731 6647406.79 6956006.921 6315783.738 6647173.656 7956064.129 8789384.817 7072382.324 6742092.993 Corticosterone 781356.4896 8048362.42 518088.7426 978527.8622 273090.8935 1036271.029 43929.38807 323813.9184 531936.6072 2969956.427 19339.62489 1206416.376 92239.47167 204484.7598 149491.2318 359692.5601 200865.6091 48281.71641 190537.5597 554828.9034 482238.2115 1158887.378 5179.55778 296842.0216 372783.0046 107518.0108 278301.126 839912.5982 172077.9333 899760.1213 157752.1669 480106.5543 329699.0652 420426.4229 133532.0146 1298849.808 181538.5024 286572.2684 118880.219 203627.1473 309204.9921 1897361.079 281253.849 406326.3913 386643.4699 1199143.731 12931.11498 539490.7971 342223.6564 1410317.765 34655.82144 142995.368 207346.2722 201414.4569 77433.61846 395038.2315 417512.1288 1157973.499 342508.6279 209394.5956 336880.5341 1791384.092 2580.271935 549407.8606 263229.8073 187241.7322 428521.3954 425577.378 270133.1366 704269.9295 72793.61323 825812.2114 578923.3443 454114.2375 120931.4082 309610.3382 Dihydronaringenin-O-sulphate 0.118223183 0.118223183 0.118223183 0.945553988 13447.73477 0.118223183 0.118223183 45429.81257 67369.79368 26453.11159 2479.869459 0.118223183 0.118223183 0.118223183 269072.1139 120767.1894 0.118223183 4149.892065 0.118223183 2038.483047 0.339868505 0.41492061 0.54606185 1.988512282 1874.57452 28452.62018 0.118223183 13469.98708 0.552866965 0.118223183 0.118223183 0.118223183 4093.196345 2874.586185 0.118223183 5.117276611 0.236446367 0.118223183 0.412174435 0.118223183 0.118223183 4817.247955 0.118223183 108453.9585 0.118223183 933061.2944 0.118223183 0.118223183 1332890.899 0.118223183 0.118223183 1555108.456 0.118223183 0.620697926 0.118223183 0.347148791 0.118223183 1730.313924 0.118223183 4308.921087 0.543459963 0.118223183 1993.864244 191893.8578 1004.05463 0.118223183 0.118223183 0.118223183 0.84626166 0.118223183 0.599048731 0.118223183 16160.62634 14970.30465 0.118223183 4560.719986 Tricosanoic acid(FFA(23:0) 13563356 21109930.91 15722369.84 16277049.03 16078786.46 24625669.41 15737779.43 17679241.56 5270398.346 4452727.919 13611506.12 9657436.688 11449162.14 8737207.955 7794954.319 6732306.582 8329681.91 2751013.482 4876447.244 4327020.753 8769672.209 7252283.584 8285282.289 6692105.836 8289011.542 7165200.213 11632986.99 5101879.482 7849341.544 7534591.499 6222960.167 11238306.01 9145782.843 5678793.652 7755193.908 13460612.22 16649317.14 16273742.66 10851066.07 15025204.09 12797117.31 17581570.93 9303123.138 5390782.672 11336082.17 12101114.22 10948154.1 13765649.21 6788662.08 20863407.59 12730909.86 14586798.22 9321872.806 10997716.17 8141011.075 7825576.309 4494628.266 1948914.751 8911817.419 4881021.092 2605488.809 5420896.525 5284515.667 6069667.447 6993745.412 5112930.445 3665351.802 6492150.369 5264066.039 5766989.438 5277360.075 14721458.53 6523904.646 7109025.685 10583382.49 10094240.59 Tetracosahexaenoic acid(FFA(24:6) 2125737.109 5815374.862 3799177.69 3326235.921 1254082.889 2033307.668 435818.5548 2355090.292 791930.7932 2172294.67 7846938.196 977304.2031 865185.0659 3043651.071 232463.2365 606697.2759 455007.0219 2211804.588 246640.3028 579506.6294 116298.8576 1016947.549 354065.1966 593649.1483 1153836.036 2460578.41 975774.672 1778882.533 514741.8988 2894369.828 234694.7969 783443.3159 787615.5946 1278820.726 50824.54447 2161721.36 556817.6647 1356621.519 317524.6805 376465.1262 241788.3489 1591679.304 228552.9859 228265.1803 886588.4291 1183415.913 822055.2341 2179700.055 509299.4998 1541844.795 347873.9559 279733.4365 329948.9386 1375812.785 374020.5668 765058.7011 1312548.082 4150600.597 3011493.468 1634185.638 275634.576 3007450.78 310621.7012 163837.3507 2054373.724 3111156.191 394449.2864 737343.0827 704631.0542 903837.4104 1119126.936 507384.1629 283589.7157 753125.7719 327136.104 346687.4378 Nervonic acid(FFA(24:1) 9547758.867 27634353.25 12290900.91 13990764.31 9657805.521 19627560.8 7359527.227 9399601.202 2930533.516 7063338.613 13889698.66 7144933.999 8381291.826 11037947.52 3442101.71 5122588.567 9817982.228 7603953.648 5172943.377 6220437.438 6765514.957 9719797.416 6775459.238 5484167.124 8188272.526 8008533.643 11709659.13 7426741.724 6865929.802 10653847.46 5679048.449 9598889.423 4492260.698 6613843.696 3221003.769 12457541.97 10351593.52 22693385.21 9250340.589 9589774.272 8790266.629 21601618.35 7067515.815 4082888.783 7917499.752 8860732.016 10116738.17 9903276.585 2816162.831 21389269.49 7074424.885 4790697.023 5654545.413 10848742.41 5401311.442 5293662.876 5671716.322 7025424.101 16311181.4 4333226.872 4372754.323 12682099.81 6299201.744 5544721.465 12390108.83 13295026.36 4464918.752 6918480.642 6670904.558 10785936.15 6482219.952 10899362.87 3490495.73 14831369.51 10983090.57 7152293.502 Dehydroepiandrosterone sulfate 91873.64895 123079.3763 165644.571 83145.13959 90797.44455 96571.16687 105919.7776 75998.49305 21831.31371 24914.26225 203737.6699 277466.2507 137484.5609 168860.4469 123744.7613 134524.6066 105085.5491 68795.50413 89725.29827 98008.93999 3876.446962 219080.793 19515.93589 157667.9949 102408.1783 88856.83308 105693.7944 46088.22576 229240.3822 248375.9466 251170.6378 208156.6373 23443.73031 143339.5596 189682.8332 168832.8965 127962.6751 141663.7052 142066.734 134470.3414 177608.4462 207376.8536 233813.7668 33148.78421 163403.5163 155300.5323 173579.1486 201833.1652 169506.1426 252598.6643 222303.8204 36067.11221 151800.5961 41148.36321 174053.0461 137814.5993 282998.5704 8432.461531 241776.694 7962.149379 20846.23749 203426.818 13075.02361 12918.90975 175592.6733 126748.1854 118598.9669 161324.355 160058.0493 148032.7768 107467.6848 150830.3804 101227.6212 94872.98517 100023.2539 96077.76935 Testosterone sulfate (1) 2875917.752 3888766.717 4138364.768 3358496.749 1887419.938 2041244.974 1855782.266 1772950.01 2809963.309 3262192.517 3139686 2396733.34 1807460.424 2058494.104 2214826.896 2077132.489 3631064.222 4805347.154 3874229.285 3178961.172 3285245.337 3274388.097 3076018.767 2883269.529 3884188.426 3896649.948 3996911.402 4049517.519 2743163.822 2767250.488 2541978.4 2367741.001 2459289.725 2328414.1 2345004.311 2639011.203 1686157.688 1721223.381 1806737.989 1381507.464 4527263.747 4565.037778 4656227.928 4491317.138 3522980.923 4494462.424 3947983.353 4903.500522 3907708.517 4136667.055 3504551.111 3953211.913 4633.124039 6378150.518 6298877.087 5801795.935 2857965.859 3888552.827 3142175.787 3247883.963 3201490.515 3067615.582 2998554.056 2338593.345 5042762.112 3104.927262 5007324.68 4439139.018 2719682.554 2520064.704 2869006.664 2310659.266 2792156.452 2917648.424 2595555.037 2608573.801 N-Oleoyl-Serine 3362134.684 8589079.246 5175734.31 3766521.354 3511414.338 4802666.869 2694628.598 3759859.358 2382940.488 2961372.615 3716354.747 2492451.981 3624691.162 4614570.251 2263333.027 3533788.832 3116215.112 4226285.662 2010632.552 2547802.185 4394399.799 3947680.35 2682544.625 3122163.403 3601562.174 3444814.713 3084544.017 3180097.918 4127578.194 4970671.641 2508198.146 2808525.918 3555516.1 4585383.216 1952789.285 4333541.8 3476215.316 5443742.572 4021827.508 3163780.308 3255375.103 6114481.091 3081546.889 3177960.899 3029460.475 3762752.865 2908577.078 3027883.45 2672082.329 4801339.898 2776020.455 2838179.645 2772649.595 4804131.435 2875859.527 3743767.646 2068401.277 3074446.431 2681156.841 1992208.054 2817168.645 4358328.945 2346479.211 2359701.406 3162888.727 4199638.806 1934509.114 3284090.292 4265206.098 5172921.36 3845239.959 4229694.918 4209408.789 6715474.43 3837995.22 3385010.908 Isooctadecanedioic acid(FFA(18:0-DC) 2347168.562 2912120.97 3043639.517 3469960.811 8430339.355 11665905.47 9595203.883 6574174.977 3780400.659 3721013.522 2964886.587 5089690.811 2920603.417 2822340.078 1532524.416 2174367.086 1723511.505 1035388.782 1312779.515 1726474.277 1404187.949 1088531.158 1157146.682 1908940.779 6340.591736 970256.1569 927366.748 66340.7897 1483185.172 2938694.573 2640111.649 6048239.002 2583368.62 2782234.304 4010253.581 3450136.311 2318768.029 2734042.38 2196372.746 4688659.234 7106348.07 7207166.039 5694289.883 2266060.667 4889090.587 5027707.529 4140950.524 6072865.725 2418765.241 3374977.752 3075105.958 3866516.058 2481894.208 1854065.655 2356955.361 1484815.275 1471193.941 17660210.98 1258430.533 2386477.057 1418449.68 1985883.997 11317521.56 1783582.579 2508167.379 2274664.978 1902182.109 4882490.717 1623115.29 2465821.805 1693986.854 4094012.886 1390845.833 25229112.77 1568303.671 4931453.91 NegX-RT573-C18H34O4 149399.5639 166510.0359 144338.1501 62595.42916 65453.39467 210136.6476 345229.2646 51664.30348 54142.17977 19426.38458 24049.43601 106151.3904 56500.20026 72342.48656 40441.48716 14167.24736 171924.616 82640.00287 124931.1614 56198.23654 34750.78173 15209.05806 20971.36544 13675.24511 14406.80837 10324.40497 55616.89725 19906.78555 30918.6165 230008.0439 133956.7497 407363.3705 37413.83484 16000.71985 95202.14882 111224.7532 36861.91675 52049.16181 28121.74232 302117.1509 57330.11844 175529.6266 96014.22257 20256.96638 102656.5683 38462.42736 29526.7426 23569.65759 85484.60196 313539.5207 51740.80654 19469.98102 52950.58477 20176.20488 92397.64696 17152.03385 64046.76656 124023.3255 54322.10673 34241.70182 15140.12344 22596.60028 57543.41368 92901.33102 74495.83244 171215.1113 32958.11256 25616.41653 20427.9117 18575.65825 31264.98616 239253.2585 19112.32006 78101.33796 27097.90877 13889.61982 Androsterone sulfate (1) 1326509.301 1370276.434 1155017.904 1501056.931 1160177.404 977360.7475 914196.913 1216248.898 2978836.87 3290019.087 2764312.824 2250489.217 1051329.699 1064884.767 1320467.332 1500451.681 1398845.589 1868556.295 1258468.678 1513793.619 2240403.305 1777169.836 1877440.857 2072487.916 1857790.468 1562815.082 1539753.246 2136807.568 2731467.425 2056094.627 1848161.579 2250871.922 2198110.159 1837791.22 1513811.25 1563251.704 2096274.51 1769559.497 1978827.017 1534650.768 2666124.584 2785185.577 2773243.478 3895232.57 1661840.855 2386461.994 1829664.979 2076979.811 2060995.684 1526810.715 1255330.701 1929978.351 1210351.305 1772904.124 1277862.667 1627714.467 2034836.017 2914405.523 1914997.962 2360188.972 3089943.804 2069013.263 2636246.84 2256203.386 2429493.214 1815992.708 1797235.126 1798106.804 2440341.829 1617242.507 2297237.572 1348183.586 2749421.195 2435259.787 1820939.005 2144855.703 Androsterone sulfate (2) 7027590.349 11367597.45 9241494.903 8585011.398 7807118.039 7258589.225 6221965.352 6988878.252 9895486.934 13571544.54 11929593.42 8717716.588 3189042.136 3715753.908 4076585.079 3888132.661 8544910.977 13240973.54 9017180.201 8595782.513 12799075.1 13198017.83 12470168.3 11777580.6 8335385.015 9838394.622 8350963.2 9720371.376 9103583.095 10002547.69 7405110.043 6767946.191 10252758.8 9454179.396 7238319.968 8235644.373 6500103.071 7559539.033 7631717.91 5274980.469 13803626.3 17829341.36 15057679.7 16140132.45 12447885.23 20529526.72 17042172.03 18354497.68 9462789.349 9529908.999 7331901.169 9556311.104 11548741.57 20803410.68 14945995.45 15060888.23 9522221.755 14971675.78 10633240.92 11045742.92 14264472.36 13832044.3 12312848.04 7623676.228 11733991.18 12953644.58 11634844.55 10073573.84 6454607.068 5408158.909 6617425.687 4561254.511 8252063.452 8311579.532 6600747.898 7052287.685 3beta-Hydroxy-5-cholenoic acid 316556.3668 531245.5059 443698.5661 366732.0523 544500.553 806668.3596 483274.6696 466286.8797 380058.8227 430934.8116 257981.6902 392445.1037 342341.767 314867.8691 197573.4698 301539.5878 767349.9157 713573.1699 641188.5075 628591.2411 295469.9685 302840.3095 306343.8218 370088.5185 570675.2547 551780.1976 475014.0936 500514.6376 420442.5492 488792.0468 370795.8966 425808.0404 328070.7527 313571.3494 411422.037 464192.6625 216114.7311 321984.2802 207981.0589 223985.2416 298550.9706 388601.2124 319804.8746 264315.33 410700.2644 593513.0551 407297.0253 413472.8567 257636.3943 416999.2079 328616.8442 245385.3072 449329.9419 514167.0819 475256.0785 445519.894 425020.2159 415137.2346 319990.2289 313081.6432 451928.3711 748012.346 556230.8099 458350.1906 234735.0567 320331.1629 280061.8903 187856.2764 420780.7249 487913.2807 431827.2158 481184.7444 241795.6877 310827.0234 398163.3837 296065.7401 Enterolactone sulfate 3208.279574 18036.41945 5666.743649 33333.90745 816011.6411 891719.269 377968.8083 768466.6329 1324849.646 2911107.461 754509.0423 515559.0219 307056.5966 352545.6672 268488.618 663820.9433 1859517.849 1820556.145 694006.9491 1365994.467 1657680.293 1370091.251 604964.3581 975287.1975 342862.582 205511.0599 216680.8558 1066913.992 1225365.335 1149546.873 376591.9973 197109.7786 50332.17382 44401.18472 7329.550733 32380.8761 22159.2012 92101.88593 80571.57684 18786.81516 309898.8453 417764.4355 253355.4176 825046.7358 88366.27418 206742.7925 52730.03549 127515.8059 429437.7613 417164.6404 239606.5204 183362.9219 796781.372 1781924.288 533529.4147 705621.1026 174158.6472 349393.2078 61527.90325 314549.6505 141821.6381 116665.2279 83011.44078 833384.8233 18164.00367 29427.05209 14621.80404 3180.222273 290728.2249 146195.5785 193215.3701 211868.6024 416131.0219 502942.9328 263760.7266 294447.6036 Isoursodeoxycholic acid 106343.7368 155591.3982 206003.9364 73801.66827 1295939.634 1359640.46 735234.4674 938595.0301 756202.4108 502439.6225 319335.8608 455645.0659 381165.1661 183679.1232 87377.22006 257146.7752 2092924.167 1973374.578 1031881.915 686257.2697 602037.306 469182.0463 306070.9278 744993.9827 279851.0074 136193.0698 164136.9732 233398.3642 587730.8875 361193.1518 356574.1573 448934.2437 285041.7774 220425.2684 240686.3054 545528.589 13028.51602 32090.5031 34195.32225 31146.14802 252159.0695 195253.2948 175058.5554 277128.1054 260792.7669 215050.8051 110344.7809 446824.5336 245350.9413 255769.885 294206.8932 233968.1187 299614.9527 250008.213 288660.577 634317.8823 279451.769 221359.3223 205063.8469 188205.6051 689038.1659 592351.6676 699174.3268 721571.978 144318.4704 195947.0723 163402.5037 136007.2048 497679.6666 259795.2168 250423.9412 442390.7893 45367.92537 56036.68131 158370.2127 143204.4575 Ursodeoxycholic acid 4513865.487 25189437.57 16246709.58 7120365.641 5828945.809 3845882.573 1505227.056 1203807.652 1275792.077 7760540.533 612984.5747 2199503.021 5444781.268 1624587.912 744307.3159 3696178.845 3959964.832 3618203.314 2010533.708 4501345.041 2007938.265 1029328.764 594461.5648 9546774 7592061.16 2467188.141 5174269.16 4399440.129 15052527.96 7215652.588 2042445.826 10675506.91 2499378.808 2718835.399 3963762.932 10561826.78 4673025.875 3353215.34 6135429.598 3722073.099 4632109.207 4514538.983 3025689.869 2166417.199 17318875.09 20482799.3 9041022.779 7629184.039 2303716.09 8301327.011 2847795.732 2717151.366 5073691.787 1149738.867 1219594.862 1039014.001 3867113.702 8002431.896 1382474.918 4923056.376 1648593.283 2787002.255 4038737.282 2627135.516 4248609.607 10059410.11 8476762.91 3452456.997 917691.2978 710835.1117 2599801.671 1986576.298 1093463.458 885216.1546 597238.4535 977070.6331 Hyodeoxycholic acid 3949633.815 17211066.09 21268568.46 11272908.96 3483160.488 8993903.908 4292134.437 2871257.587 6313630.477 6529182.066 2770073.231 5538274.458 3590593.238 2390549.68 887569.571 8376517.188 7888135.367 2741329.553 3263865.942 5622225.04 2825411.59 2110467.101 904414.107 9158741.281 12711513.72 11456742.64 9032609.418 9274959.02 11131686.59 5786577.028 2758516.944 6084597.337 2379668.524 1874965.634 1740701.498 2364903.445 5984886.751 5018221.969 4317596.238 5115089.678 4170933.91 4605421.529 2116371.891 1231371.743 4420995.104 9432001.748 5958026.865 4368925.748 4270082.748 6156925.053 4214844.824 1878270.531 10198385.39 5171825.235 2823990.555 3019269.043 5235615.645 7611985.652 5177560.719 9613631.542 5920626.625 12375354.38 3145838.464 2674780.141 5228585.715 7784683.303 5205953.446 2657821.965 1447409.723 1259303.045 1869415.444 2861021.364 218264.156 3119726.64 1878229.171 920393.3785 3-Epideoxycholic acidacid 374925.3589 1336449.621 1061711.114 798866.0239 4929985.158 4273801.617 2536934.437 4181230.678 3819822.856 3987458.282 1182662.34 3029416.924 3646318.72 2461533.548 1526185.843 2703936.445 11477997.58 5173058.177 4419818.811 10196926.36 3938043.419 3065674.362 2017632.305 5204673.419 2242409.846 2355680.949 3583815.75 9418996.73 3158635.123 3682231.366 1908586.132 4090626.515 4832855.878 3716269.772 3777109.454 11101174.02 51913.47821 106354.5423 78459.77477 157279.2435 8641915.047 7622390.696 8166913.278 11791275.96 2075914.585 2204067.149 2258031.998 4213467.032 9013425.94 11312949.49 11195191.27 5289605.345 3191750.651 1978095.942 1847360.39 2156442.509 4913898.989 3293707.304 2534935.637 8091762.936 4441036.533 7948243.132 5566960.119 3444528.596 739284.7706 1626722.746 1497258.621 667776.2907 2852093.242 2000060.263 2731239.698 2900619.637 630297.9231 1189510.196 1988450.271 1154517.202 Chenodeoxycholic acid 17985757.22 45377660.8 25542287.1 15624376.02 110765959.3 33762921.92 12791276.01 10312172.42 28882170.13 11743196.26 16091112.98 29583563.04 36935268.84 7261168.471 8754606.088 25744980.72 6756610.578 1317730.87 10704851.27 23636512.78 7532221.253 10393944.32 4352140.265 13090419.39 53590549.58 13515294.26 38065424.52 33952174.48 22307617.3 3283697.174 11230780.35 144766533.6 26537744.13 10303220.97 20293539.46 52169681.62 39695236.82 31001551.13 13834858.67 31217336.53 28189406.14 38648522.99 25495603.29 6359893.598 149042892.7 127981895.5 63659161.69 19072692.87 22086408.27 4390582.36 19906629.5 5402611.891 29287643.24 7144716.208 12861430.49 7653083.757 13167385.55 7385753.453 9866747.982 25277822.11 38022721.12 12530219.75 3651226.693 11599576.34 15370328.07 14095516.11 21789114.43 8097956.516 4093539.783 6333255.369 4612098.515 31034678.93 21568704.9 6403514.439 3433115.712 24351217.27 Deoxycholic acid 19913152.24 26908375.88 29366053.83 17754889.28 79343513.8 56887116.64 36721824.95 39712384.11 32752016.52 28222936.8 17913576.86 31429577.63 33987594.82 18227314.26 14911711.81 22807336.36 58846861.77 23471118.98 37574739.96 57059398.33 22360132.37 20909744.37 17630099.56 31056050.18 27282581.04 17925566.81 33797417.53 42394991.33 22274997.39 20649135.56 22584084.28 55468099.25 29187445.94 21850920.04 34879460.47 63959709.8 12555500.48 15496019.53 12786761.7 13796804.89 61579812.18 66341619.44 67202856.03 41385316.73 49765932.01 51107557.15 41859602.51 38121675.51 46841196.05 38712615.96 68660355.76 31113740.89 30731358.31 15392831.26 22590309.21 21502947.45 34550390.16 22151168.47 24555346.72 42013980.6 40972775.23 38753692.88 27340128.31 29790632.33 27186526.44 26323979.85 26901783.52 23105756.2 24042214.59 22992602.62 23410188.15 40837142.02 12273826.21 16797052.25 19676445.21 13743268.92 Androsterone sulfate (3) 48698944.61 62566021.14 60667896.34 55893257.28 40762757.56 38393154.52 35891906.52 35968325.29 110507462.8 125564544.6 116719670.7 93113884.27 37098393.9 40515592.61 40240688.94 40520472.59 22842990.71 27793354.57 22981820.69 28057064.31 71021049.62 69031799.06 63658844.3 63190956.84 21518323.87 20074694.44 20494947.98 25148852.85 74445578.39 70879447.91 65710066.37 64120599.5 76999113.07 66933667.14 66773604.58 66060052.65 43549870.08 41383394.15 42954301.29 33559869.07 61688334.85 66298976.42 61975104.52 67601322.59 49068688.49 69792958.83 55477998.24 60357636.81 130140172.4 128117130.2 114488641.5 132830284.6 58586555.36 73091094.29 60166556.72 64396780.11 83013144.52 103363322.4 82577186.7 89493541.75 90625473.28 82557574.59 82978090.26 76270734.24 31048714.69 29936316.31 26656666.47 29170955.01 40113671.26 35658680.78 42117642.47 34723813.91 32240595.82 33191808.19 26456502.82 26996173.67 Androsterone sulfate (4) 159575877.6 193867293.5 193159496.1 159759314.4 101801367.4 100966969.4 91158117.82 94174046.1 420779555.7 479203237 455124853.8 422782476.6 120586168.5 132607474.9 125637579.3 125190226.2 56489236.07 62286616.2 53190540.83 52194380.98 213127441.6 212408729 206906144.2 198708997 62427602.92 61457671.98 57993154.91 68415467.97 245172726.8 260657068.3 245985910.8 232880732 215440759.5 194278923.3 203121107.4 193884775.1 123782182.3 124327187.5 122106136.4 102592225.7 205989543.2 218129040.1 204589474.2 188939803.7 131739368 170871788.9 147753953 151164649.7 265647457.4 297870948.2 263311685.8 274118312.4 221139588.9 239189355.7 212766220.4 197987809.2 312918806.7 344467570.1 311837502.9 300661452.5 304540733.4 313503360.9 291654005.4 245783866.9 92593718.07 87752517.64 78917741.53 90025762.99 94500079.14 90295396.33 97510340.44 84642497.92 87967216.18 87256557.04 74634238.53 71453048.99 Androsterone sulfate (5) 17548069.13 21793689.97 21086528.95 17802405.99 17542908.94 17924200.08 16031389.16 15861598.98 20830710.06 23731927.76 22978876.87 19315793.81 8763678.701 9298728.052 9082274.66 8904984.624 8779831.56 9991055.914 8427621.507 7222511.656 18011395.51 16998446.57 16298319.64 15890170.26 11614585.61 12018574.16 11636299.31 11798077.01 18599300.36 18656679.27 17590159.79 16733566.36 17895704.66 15955907.22 16094087.35 16167229.75 16984735.35 16782966.76 16495753.28 14061276.02 18169609.62 19504993.36 18310020.89 18421984.05 11637926.88 14770145.25 13483889.36 12998173.3 14300898 14972030.8 13241100.83 14267557.45 16751199.23 18361965.82 16630983.1 16822918.16 18725952.47 22046247.95 18813335.86 18416018.55 20809514.2 20352445 19794623.06 16245415.66 14362063.09 13804954.77 12628486.21 12875791.22 8670688.82 8181189.449 9295193.645 7664865.347 10387009.84 10058661.83 8683194.795 8609030.44 Pregnenolone sulfate 5423503.995 10677423.64 5986127.97 5660210.092 7710033.932 7444143.577 5795887.552 5845810.362 10345692.33 15549558.5 7253430.359 9230226.474 6090786.447 7392565.783 7586728.742 6963834.271 7689078.6 7566447.147 12081366.89 15353214.64 6540439.618 6505367.952 3975129.231 4444489.221 12691559.5 8715439.531 12090497.86 14880564.61 10816734.39 9330398.904 9385536.283 8481143.532 9524131.246 7996968.453 6965102.523 10994371.28 9983843.839 7538769.4 8011846.242 8241655.878 10469721.18 11317172.17 10454127.61 10434652.08 14905380.69 20159254.16 11811541.86 16377645.51 9920855.551 10235754.18 6253170.693 12579710.94 8017810.928 8410402.926 9038259.078 10230702.4 5360944.049 6979381.27 5254392.209 5820387.006 5788667.38 5880723.746 4252823.947 6510118.509 13430659.91 10655516.72 13066172.83 11466220.68 5873090.884 4926888.641 4612751.086 5672822.057 7712327.759 6687642.662 4830540.597 4997797.746 CDCA-D4 136536252.1 148881877.6 148975572.6 120735367.3 124890395.9 138688728.7 141448739 125611778.8 126647027.3 128287581.2 126576212.6 140167943.3 145129592.7 141451107.3 125024017.5 124658700.4 144779385.9 126217845.1 142646786.5 129378244.1 126401281.3 120185227.7 121727137.1 122951159.2 135461231 139126569 150338042.1 123402078.8 131297044.6 133672342.2 152042923.8 150616491.4 122249472.1 121148293.1 140009062.4 137098026.4 139692046.8 142116777.5 129081683.8 142914294.7 143651849.2 140263424.5 135469185.5 119970755 152166886.8 136994285.8 143372179.5 138624542.1 125337477.5 136637521 141131472.2 123374909.3 143796450.4 118780257.3 139312485.1 131520920.6 141995670 120454737.8 138696948.4 125399665 121320591.8 137976515.7 122444776.3 124193510.7 135267223.1 142787419.1 142471179.1 136702433.8 124379633.3 140291649 121736036.9 149945630.8 125973277.5 127670363.1 133577668.9 123278077.4 Deoxycholic acid isomer 1 28940446.72 33783576.59 34561875.21 22261391.98 21151281.31 29643886.42 27328776.67 22821245.87 19393094.67 21714728.73 22585799.03 24497892.64 13772965.73 14464980.01 11184668.7 10979770.02 14028711.1 12593580.09 14320739.74 10892819.95 17530345.41 17495265.07 16819794.96 15879813.18 7935720.047 12193836.78 12234738.56 6614728.958 10010651.4 14386641.58 13518869.37 12656063.11 12736890.04 13521219.09 19281667.73 20768522.25 16108966.34 19843269.9 15614323.81 17041071.36 15846763.29 17630143.22 16279785.31 10547463.07 13914113.38 13938441.02 15481097.72 15524082.84 14362184.71 22644395.36 22642655.98 15741674.9 15986193.04 11822176.94 16053813.16 11611718.88 15911855.62 13970883.77 15887619.16 11258991.98 6082979.55 10044950.17 6285151.039 5596881.098 22482445.65 26727065.58 23721960.83 24691493.4 6749668.702 11630087.75 6161002.653 7223092.036 7989984.799 10002724.65 14137992.18 7789506.009 Deoxycholic acid isomer 2 35561558.7 41516924.8 41261661.26 28627277.65 24707539.48 33624755.98 32042970.38 26800063.84 19787511.37 21591693.81 23296588.42 24713140.16 13575428.93 14984291.05 11734453.39 12274292.5 15721988.15 12432077.52 14771924.26 12850489.79 16168209.53 17100221.58 17044739.96 16217240.28 8141947.717 9997356.116 10033770.24 7148752.405 14452385.82 18889659.49 18240718.94 17918664.61 15133968.67 15704465.68 20866162.38 21781409.64 19984907.69 23971078.59 20160890.7 20448700.65 17892287.92 19054266.23 17947179.45 13832544.59 20871148.74 23100450.81 23563535.8 22503360.27 19109145.71 27077095.46 24989308.36 19296393.69 14746518.19 11190848.23 15169451.96 13280664.78 17298390.01 14370739.87 17480166.88 13331261.04 6202483.243 8527443.335 6506726.14 6010363.506 26082285.18 29596219.58 26804204.22 27196214.57 7510346.731 10548424.36 8560449.506 9507147.374 8972800.327 11426765.95 12164930 8669336.042 Deoxycholic acid isomer 3 35881924.94 42254511.54 42134311.83 30262580.51 23900375.16 31281699.26 29305600.12 24761969.31 20439724.14 21968669.07 23961802.15 25411706.25 14482728.21 15444368.38 12096872.18 12848619.48 13970530.93 12008128.91 13726338.65 11532403.95 12784377.43 13438746.01 13249143.36 12920490.97 8655076.879 10147556.1 10253895.38 8115550.235 13648076.31 17231813.21 16858030.46 16184520.47 15888486.47 14996645.28 19965580.65 21200510.42 16904495.9 20058497.38 17264295.94 17681032.39 16129339.12 17844150.92 16590629.28 12951029.54 24257271.69 27744706.74 27782293.23 26504134.15 13579949.67 19711788.3 18122355.26 14425129.62 22936882.77 19220625.99 23524784.25 21088149.22 16275215.8 14502382.85 16985757.24 13139755.3 9054331.572 11489265.86 9164381.997 8087131.826 26152656.44 28822016.48 27419869.41 27160209.01 11723975.96 14176559.69 12446948.67 13248651.58 14087387.36 16776084.68 17084071.69 13111077.88 Ursocholic acid+Alpha-Muricholic acid+Beta-Muricholic acid 259727.2993 941772.1111 1556243.376 385638.4809 17987.05016 1658531.386 227681.3168 72077.74202 378578.3401 494920.2375 313275.7065 346289.3679 208521.5315 289451.0291 2836.006328 783413.784 3861.229558 3763.928629 1272.752254 951222.5584 60937.9244 56668.04648 48145.87754 111275.4188 721337.8571 782160.9842 631916.2745 2086.419631 215712.9567 203991.3157 179991.6938 771958.9409 98555.58199 251274.7799 171236.2803 920699.2949 354585.2473 462872.0066 344712.5701 153864.2644 410143.9497 526339.0941 125571.033 35744.67757 636285.2296 731995.4883 156636.0687 139010.0139 7869.852914 175441.5681 171043.225 48636.99823 109133.6096 109164.9416 32560.22425 60935.15793 100905.0727 217533.4861 472411.3825 541340.2746 62501.05033 184113.6581 10321.44254 21184.93226 316753.5528 641676.5582 615576.5577 370734.5343 15645.50788 89406.92209 110579.3735 104283.2419 38451.53153 84761.66903 180835.6044 43670.2512 Hyocholic acid 1569765.346 1564285.819 1454254.952 1245209.404 1454631.431 2968633.201 2494557.369 2137345.955 1129927.848 26176.9547 1119771.253 1252229.527 855471.2833 863867.1681 569707.287 655285.9418 1820523.019 1142436.442 1237520.353 1372167.89 1087907.561 1050844.836 898635.2921 990279.6801 942889.9202 1019759.561 827639.8121 712261.2161 774647.0239 1032131.903 917711.1188 1027522.497 1210535.516 1083502.196 1674083.666 2056323.845 736247.6927 1166180.434 965371.4873 875610.0371 973496.4006 950071.6068 963851.8144 931446.6744 1237745.32 804672.0758 1044578.024 1042702.7 1392945.513 1747645.104 1718935.321 1239545.434 870971.2345 634277.3725 730396.0768 668185.7627 1194843.612 880735.6267 1219688.301 800876.0475 590622.3275 808910.113 482392.5964 43725.40604 1234468.687 1634937.492 1284386.377 1265483.07 741944.1934 958437.18 980540.2958 1232394.88 565609.9099 537345.4766 681674.3319 529785.9077 LysoPA(16:0/0:0) 864781687 933686694.7 776541615.6 903508253.3 985829505.4 952452318.2 824104946.3 1016069047 740095165.1 656071930.6 911890178.5 733049553.1 692715427.1 591710197.7 757744395.4 765958151.3 764703585 570672183.5 669830055.7 914445039.3 882101168.5 811674810.4 861644203.5 885291116.2 1138996561 644770740.9 895485467.8 681333590.4 1003350904 593952330.9 661156612.3 781091408.5 865062181.2 651065038.5 745449963.4 898143011.4 1087345905 834770515.9 865141007.5 740279295.6 980894336.7 866876919.3 864608292.7 909866374.5 883088653.9 1025736893 829767585.5 855780653.3 738380454.6 856278373.5 691654097.6 802536387.1 697488442.8 773343735.7 634118605.8 869087548 769180395.9 658036608.8 844109723.7 694968775.1 902110386.7 643669329.6 786841811.1 962516423.9 1165473747 626953488.1 635143839.4 654010832.6 1050448616 883897025 931095452.1 708674179.7 790868902.6 842092103.5 748808154.4 846848603.7 Perfluorooctanoic acid(PFOA) 11443197.23 13495534.65 13084121.04 10498769.77 10308470.59 11737520.02 11228701.06 10044045.54 10725466.34 11946488.97 12174641.37 11796399.26 9387863.694 9773748.329 8852236.919 9211298.146 16523619.31 16028107.12 16010704.94 13598428.55 16001951.82 16133760.86 15630593.53 14570043.53 36956694.72 40350106.89 39163929.7 35356128.64 58084414.32 67721935.65 62736499.23 61855632.55 7232850.453 6619082.491 7868824.341 8018946.063 19067707.81 20874483.38 18286384.42 17979803.28 8566799.152 9570087.872 8718147.822 8331315.426 48648563.27 57379255.74 56446352.39 53565882.34 6950062.169 8263228.57 7218449.332 7148823.16 8112649.986 8177737.74 8109380.799 7752237.039 9307731.106 8998463.523 9718742.729 8067970.704 8213553.391 8929752.074 8266092.91 7241857.964 15394565.11 16531090.21 15451163.98 16019908.21 15824402.01 17294516.39 16748191.67 15887374.58 14198215.7 14947377.79 15089260.66 12756856.65 Steroid-C21H34O3 monosulfate 95803.11358 147725.6742 201533.403 94838.44568 65278.47969 66139.08303 55855.35363 128360.277 141780.3637 238395.5324 164040.9032 136943.5537 73665.47309 78859.90253 61734.78892 54935.18917 58769.02917 87028.74599 80070.82754 70607.60038 52802.78344 55643.00754 65031.56945 34075.83945 76211.00813 89213.03448 146419.8289 140798.7604 201683.575 107921.7683 169967.9711 233714.2154 100953.169 144334.8805 91573.34498 217945.6895 161783.9631 164099.0708 169624.4611 56890.80058 66877.93269 228385.5719 57131.49539 113825.5226 93531.31778 166623.9416 393234.2033 454375.2983 65025.332 60869.68188 56474.23855 54141.2014 19605.6314 94132.13954 37803.05781 71092.35292 52462.59337 173171.4211 95126.56271 126058.1804 119003.6436 67980.13232 101959.9502 15601.75267 176639.8675 234574.7078 187101.6784 154347.5616 31723.83924 101693.4852 47783.03933 71102.53214 121534.3983 111329.8094 104535.947 92147.64651 3beta-Hydroxy-5-cholestenoic acid 21115707.03 38935236.27 33502974.5 21493099.95 16422412.32 28629575.74 19283757.04 14734993.9 14362795.48 23200507.31 19063857.42 16850035.49 9097315.589 15114622.94 9273504.653 10387680.98 13698775.5 21164492.98 14434859.48 11705238.28 16288119.59 21958572.47 15536359.99 15699559.69 12603978.83 21000076 16103714.13 14212509.34 19498138.11 31610473.76 20941672.43 18501366.27 16337954.41 21941400.99 19968527.65 19266810.86 10169591.54 17784902.84 11470454.92 9522860.349 16316298.84 27867730.32 19587088.88 15184961.78 16454716.93 28735918.93 23325653.85 20421601.45 15271013.42 25237256.25 18071962.18 16464783.06 27494192.87 43154494.57 34742677.35 28140743.69 14397767.44 22077213.46 16653618.26 14487634.53 16316441.8 28010542.03 18943499.09 13683692.22 9762764.179 18131981.69 12179992.95 10780517.74 18953782.46 27561916.34 23097449.31 21834139.29 12544912.18 19224201.04 15219231.81 13162641.56 5beta-Pregnanediol sulfate 25151347.19 38101974.33 37939772.71 33166016.51 34946010.65 35857439.73 28140366.11 29794292.92 55533074.3 81180745.7 65096310.07 51385220.54 25600506.02 32617122.38 28075090.81 30878993.15 56175642.57 71526102.37 44460806.86 48314043.46 37512165.39 41283745.47 29793529.8 30174864.22 56076507.94 52326830.97 46959124.74 61231297.7 61972812.55 65536178.89 47058978.05 43416289.38 31755901.7 29636943.41 22291480.41 28039240.65 48622499.98 48821264.78 46765497.87 40483907.97 54341179.6 68392635.56 49558052.28 57855184.36 59421739.62 88989967.94 65138419.51 65814212.51 36730823.64 39650446.74 25526499.39 36543630.89 44964474.48 59836089.31 48675030.47 50808359.96 35602466.62 58468590.37 32769129.05 40270421.57 37780884.52 38286845.9 27815940.34 28804142.8 59791430.13 61512796.87 49847711.22 50111055.59 23475750.08 21930523.14 19725738.59 17760300.54 30686072.46 31964655.42 23270628.57 24367710.82 Pregnanediol monosulfate 1008868.258 1430786.012 1375471.78 1257618.477 2487053.92 2287115.889 1929672.322 1965593.335 4176545.085 5298449.227 5098017.545 3154400.426 2574704.734 3071047.602 3171254.142 3323924.554 3090070.302 4166351.106 2802975.844 2608784.139 1729495.939 1754382.612 1684532.827 1480045.547 1714211.609 1774149.809 1709407.579 1816567.3 4019682.412 4319084.589 3886740.467 3535117.494 1997555.637 1756302.822 1749971.006 1817841.405 5392415.601 5553438.744 5650088.442 4218321.928 2947868.025 3593915.012 3170619.943 3654585.39 4295977.584 5969744.482 5050443.006 5517035.629 3564908.833 3671576.969 3176984.398 3998917.384 1476228.655 2047273.41 1613316.368 1874821.307 1548231.843 2088038.205 1533439.676 1682319.873 2319220.742 2194828.209 2255661.087 2115196.073 3672475.398 3996280.02 3799697.047 3356632.082 2106433.132 1985189.598 2368154.236 1719333.085 1696258.795 1797510.369 1468878.959 1585405.291 7alpha-Hydroxy-3-oxo-4-cholestenoate 23850194.74 54631326.7 34921038.84 29530589.34 19539480.71 35794866.57 23988859.51 15203910.79 10155394.49 15655081.94 16938201.21 12277792.97 16767341.67 27134119.56 20520084.12 16217475.28 15937784.89 23204004 23409762.82 14898201.28 23397023.12 30722887.27 28050988.12 21025855.64 20297642.4 30138788.54 28837195.3 19037755.19 19631424.21 37267973.32 30214862.29 30357428.07 25873138.31 27570920.61 39690008.53 29010634.98 24897824.22 35363668.18 27472676.55 21257288.47 29340407.34 40492365.78 29425345.96 36863663.36 17830123.75 29625877.81 27181086.84 35531078.45 21077215.64 33349549.45 23176694.45 19335836.36 22981709.05 31782141.85 25453698.16 20988461.28 18423067.57 23800287.21 21536509.28 13372921.94 22349733.78 31640294.08 22626643.64 15625961.98 15209474.43 25853719.31 22462889.54 17004844.76 25913501.74 37789408.37 36996549.43 25550992.29 29991162.29 36997588.3 46972017.76 33151199.98 3b-Hydroxy-5-cholenoic acid glycine conjugate 3077648.051 3411968.885 3246464.453 2534637.919 3017232.708 3655097.425 3313229.853 2284610.045 2253682.282 1944075.422 1650893.357 2435473.778 3617334.395 3173494.071 2720356.524 3419242.838 2619022.475 2558740.239 2529438.238 2143978.436 2089831.05 1949291.27 1790066.879 1856221.157 2023513.464 2066269.039 1896488.952 1775643.894 2042444.417 2317350.038 2090219.311 3176311.062 3847804.088 3634318.638 4460387.803 5071021.332 1964138.78 1870859.342 1610210.689 2058173.135 3062535.165 3383220.996 3549787.31 3002968.796 2757939.812 3351809.607 3360147.74 3758433.569 2658510.298 3163472.494 2733505.672 3031244.125 3767209.805 3464949.721 4050722.636 3376360.857 2400549.462 1806642.161 1880677.018 1989546.169 2095591.625 2254093.265 1972858.834 2288452.434 1151844.202 1178931.592 1338343.058 1575337.923 4513822.228 5250525.511 4846333.42 5118184.942 2416728.313 2202202.769 2921406.236 2371638.055 LysoPA(0:0/18:2) 39276183.1 40924497.67 34342295.57 34371280.01 61431295.54 66018908.83 63668085.31 42426616.63 19384222.47 18777261.45 22693221.12 31308416.7 36252304.14 42989576.1 32545983.16 26857515.08 30114713.5 23526408.02 49980967.28 25044194.99 31815851.08 30516258.38 26270517.26 21977826.01 32913687.64 28886236.43 47200593.52 18308778.97 31635887.22 30914664.26 47639556.7 56274905.97 36599191.38 26873543.06 49582169.5 69306825.08 40508389.87 47343512.83 35687463.8 50907492.14 66856078.74 57407271.02 68244879.65 50943015.56 60206348.04 37208147.8 64678012.59 59586896.83 31484521.99 45358770.5 56795734 34112958.09 52150685.71 21962707.47 48346345.23 28027730.23 32871418.18 16554449.44 33553223.24 24536121.46 34105391.45 30766460.22 29944766.58 38616780.39 29823591.52 30655217.7 37983650.15 33277678.6 33043500.12 52946218.78 30426691.81 52198186.77 26103166.55 21081856.07 34421958.25 38901139.87 LysoPA(18:2/0:0) 324472991.2 319508166.3 283948746.2 511048493.1 709504540.1 499756350.3 491357365.4 516511671 275958794.1 240516085.4 335198742.5 249339380.8 276991341.3 345435867 434553491.1 361370423.1 250081402.8 308190860.8 391016642 319749506 432591860.9 415859737.2 376762380.1 302088430.7 414745129.3 210914011.5 363547859.5 255043331.1 407317921.9 244835475.4 356995361.1 470797216.1 523730321.4 348917185.4 402886457.6 497408563 545164510.4 356602229 464001232 405662491.6 530025064.5 432026658.2 492519596.5 570809871 478105878.6 521920512.5 491913645 450579991.7 443437701.8 343922760.7 436485611.7 420923336.9 388511235.8 371250959.5 379300358.1 306159698.6 272425300.1 241156112.6 271230907.5 332026039.2 442751335.2 233763439.3 395756567.3 495678934.4 377961983.5 234625417.4 328762705.2 263098031.8 492369444.1 377424549.8 428929121.8 379116344.9 367397972.2 297690347.6 271309018.6 516508957.7 LysoPA(0:0/18:1) 82709667.8 80787977.69 75093904.27 67465765.09 75542891.73 92437000.61 83968939.86 77374678.07 53439141.85 61169505.75 73123115.29 51197.6085 65315325.46 49363615.25 70960916.77 77553747.23 74087242.02 55413390.3 62223670.91 76845015.93 76364459.84 55401254.93 73961744.14 70599527.9 98428243.3 65893534.44 84408440.87 52690812.15 76322528.67 50455255.09 67131145.36 67114573.27 69906094.37 59365135.62 65587876.78 82504960.88 82976143.95 82623006.2 77741110.09 74515182.69 92313769.39 80783393.98 90476837.83 72676871.33 81364970.88 86925700.37 75729840.39 85424633.96 61318722.02 77723227.47 70314764.56 82471267.92 68048896.09 75096176.27 61720166.1 71174732.72 73294154.28 66218225.92 73610362.25 64405455.69 63074163.93 65111956.57 68225356.19 68892245.35 97765341.35 64607769.81 60487987.36 64252331.19 90880625.79 83420178.95 71533814.62 64471635.14 72121256.42 75482751.44 70325189.34 66527941.47 LysoPA(18:1/0:0) 204559677.6 211685967.1 169537928.8 273432119.3 306155686.2 287760410 244238755.9 259800451.7 166703648 133333814.3 200289557.3 150117244.7 182547904.7 176607890.6 207067085 203971368.9 166323667.5 155404090.4 167742807.6 184059983.3 216583910.7 206038051.1 201300512 180320321.1 236103705.3 132327695.6 211308628.7 150803000.5 227901058.2 143914712.9 172117354.2 225338112.5 249700939.8 181340661.8 173277966.4 254744787.2 291003995.1 202660962.7 212849235.2 203239120.7 255919116.1 237678441.6 223088920.1 263621172.9 230927578.8 261068301.3 210818128.7 223739841.5 193886147 182590106 154409918.4 183530335 174060840.7 200360674.3 161668475.6 184914068.6 173254331.4 166015850.4 195396415.2 167724615.3 236700336.9 136576233.7 210919760.1 220178260.1 274934371.4 160397019.4 191395916.3 167955552.7 248277201.1 176896424.1 193949039.5 186735962.8 214198841.7 181178187 173071856.1 219122249.2 Glycoursodeoxycholic acid 234789.8253 227955.6796 240055.8008 343807.2879 1403528.38 1137156.847 3430114.354 1736234.817 1125814.16 833488.468 1726805.179 1264430.431 2224592.842 1472502.749 2480085.484 2814565.619 4689071.326 1985628.649 4976943.439 2680545.523 1832509.206 1490952.184 1414401.664 1372935.863 922550.2437 440667.7548 1589719.418 2351676.02 899736.8377 562420.7339 1660098.999 1320636.971 820583.1427 322469.5193 2500435.495 1199392.75 153902.27 68644.50812 36721.5939 96325.45287 4522084.045 2423532.757 3221328.178 3437830.671 1110859.411 919850.7809 1311492.343 879033.8062 2796792.285 2161234.513 5369558.668 4094925.441 871800.8229 430516.033 521150.2281 1823165.643 4753969.17 2128045.443 2800097.593 3946599.739 1637313.217 1728641.478 1506563.201 3134352.257 13236.93791 25420.40374 24762.9937 4166.024937 1076794.369 1408663.363 1555428.124 2950871.047 193255.2638 43432.31495 158134.4335 100941.6176 Chenodeoxycholic acid glycine conjugate 135648636.8 490346385.5 247743569.2 119451694.7 71705115.42 81836032.15 250597688.9 95326221.29 271169787.5 333768442.5 353885211.2 187979196.4 232165179.9 234957106.5 278402625.4 249807137.4 262237142.2 169544256 465015156.2 174131915.6 166439174.2 109445847.4 112209199.3 139221188.8 510726691.8 150949126.1 718922346.3 237511100.9 456757710.4 126041739.9 756596345.5 524208111 35275565.86 10953469.34 285192202.9 19561064.89 998136603.5 457519183.4 408682062.3 641200996.8 358289105.7 123248132.1 153178370.8 137101834.6 405135679.1 215717223.4 422743743 122810002.4 115955154.2 91664158.76 234454847.3 382863375.1 267083649.7 163149337.5 129660001.9 320581058.2 400833652.1 179793093.5 244463821.9 333565060.8 205811008.6 186731048.8 152356155.2 298039244.2 329801736.3 285279582.1 449938451.7 342999511.7 95257336.16 154317232.3 95913646.6 841631941.1 407970137.8 107322587.6 72005434.21 164980914.9 Deoxycholic acid glycine conjugate 4299550.302 15433310.19 7932138.732 6023794.582 35512130.34 28337406.35 96805358.44 36450408.82 34679064.58 37840254.12 63721750.97 31796146.31 33609041.23 27896495.72 42918401.02 36754802.21 174229789.3 68468376.08 289587366.2 97758718.9 32981586.4 21359879.2 22037621.56 28980478.51 54399970.76 14522106.45 108076598 43577241.97 43791937.99 14176776.25 106826230.5 62888547.56 7292159.491 3197796.907 57426291.45 8510123.724 8839207.436 5819351.327 4135359.83 6637584.659 124340029.5 48237222.03 60229181.57 46139308.53 50989654.21 24860955.29 48214895.47 17136073.37 42453226.06 33398139.72 115097750.1 159725794.3 29088554.97 14878466.74 14606671.78 35053040.89 136682207.7 57008102.95 65068624.19 110762025.4 52650257.51 49883964.83 46002286.72 110716112.3 18238006.76 14912735.97 23629460.21 24015135.04 32708555.21 46690740.66 37426642.75 303322121.6 20463189.85 5634810.613 4989012.705 8469741.775 LysoPA(0:0/20:4) 5101430.436 5215394.407 4502804.669 5111460.657 5203286.693 4723355.573 4418883.995 4834625.555 4071068.191 4222544.119 4599773.52 3987520.167 5046515.332 5077.481594 5170839.224 7044131.83 3535750.153 2403136.954 3726690.408 3337915.401 6439389.276 5308412.216 5116877.163 3956591.412 5839179.319 3490554.168 13018.65978 2400683.803 5877524.454 4279591.155 5042388.098 5750329.084 4649089.555 3401376.522 4235361.27 5818696.053 5296895.644 4225815.689 4419148.73 3865390.638 4210459.079 4036325.764 4341691.417 4104924.849 8515.748273 5249945.275 15395.08656 5560625.28 5551679.946 4589404.39 14699.21304 4255890.765 3792688.891 2936208.426 3587550.707 2930746.419 5373981.136 5236869.248 5569841.995 3908058.956 7109983.867 4139324.029 6074737.963 5892974.178 6614775.457 4380444.065 16053.90739 4197316.732 4973166.905 4396927.715 4535627.831 3723024.983 3235661.843 2563141.303 2894113.93 3451409.433 LysoPA(20:4/0:0) 39505964.2 42773068.51 36723471.8 55359019.69 46694587.9 39157194.67 35561152.99 41471826.81 37912911.24 34088457.1 44353648.51 31137334.55 41375185.04 37378742.03 50316288.51 51074454.94 30167642.46 31343655 29795024.96 29835355.3 51226081.59 46714552.59 46436196.04 42185346.69 51490826.86 28534594.11 40151983.55 32225461.97 56354492.27 32795523.18 39483007.69 43413178.35 48593823.03 38485189.73 33422236.75 49251941.02 52752218.48 34562325.65 44033825.27 34239876.18 37127151.38 30765244.5 33027222.02 39759692.28 49142659.38 51912472.02 44396927 44942245.66 49632354.09 40146814.04 38376708.21 45891530.17 32182905.76 29769075.17 27097636.68 31861554.37 40930600.64 42974042.09 41765110.8 44997600.66 56805682.94 31487046.19 51575939.38 53626907.65 54240010.83 36975509.51 41936456.78 36226511.82 50416124.36 36028399.54 40589355 34517441.52 31909047.43 26740531.93 24498365.16 32022418.09 Glycohyocholic acid 3064407.749 9599764.409 4441657.05 4352945.864 2383828.683 2293773.583 5991395.449 4363176.568 4251301.015 3255856.99 15697574.35 7445226.433 1997018.272 3553327.277 7689400.28 6042677.279 7803853.583 7136446.811 12965779.36 6553927.644 2842253.716 3682240.056 2125420.008 3554605.732 5076892.05 3075872.746 11996677.08 7216207.676 5567691.376 5435211.061 13228393.84 3667077.171 2027658.406 522403.4648 3401851.25 618379.8787 7477544.001 7933523.587 7371190.468 6127535.614 2141735.954 2158304.609 1502347.716 712497.012 3346042.987 2811566.299 3008727.156 2903031.562 1771244.818 1575641.574 3430644.177 3283370.519 3338571.122 3356351.784 2045466.192 6557093.395 8961515.977 4835999.489 5669425.989 6010782.532 4536923.528 3553098.811 3320468.952 5601017.67 15617893.55 13504676.29 12388627.29 13410570.37 1890847.171 3102721.566 4553569.21 8089992.855 9218790.226 4753341.182 3472045.039 8251714.463 Glycocholic acid 9833227.163 60510105.63 17509089.29 11064572.18 13465279.62 8854103.675 31468096.99 12725092.31 31155204.58 31848020.49 47531327 24554278.17 20860022.86 16010701.23 43419657.62 36763178.05 52903978.49 14557366.92 68828982.11 29872192.28 24920919.09 12394654.95 15718036.96 26603829.03 34385533.94 7349032.003 56284529.19 24397452.69 38328742.96 10837591.77 77451446.86 40044261.42 3534168.99 1182533.818 15662435.51 1775903.749 114749778.3 80890334.1 53744903.04 88424019.18 40704714.97 26524286.94 18942406.54 18363892.38 30169428.5 13450715.19 24281943.6 12541902.33 13085532.59 8948791.782 31919592.31 44492564.22 16777098.41 10605193.99 7817418.951 29531064.98 63834315.19 22536452.41 19273996.62 58387012.31 24941587.15 17823714.33 16386420.75 35415191.82 48854445.83 32358225.28 53099725.59 57615388.85 9423978.859 12108405.34 19903563.81 120007587.1 43489584.7 7794572.816 7278966.048 19518040.3 Androsterone O-glucuronide 518806.6146 745825.1046 801737.6314 528469.9662 685968.9162 820646.9092 629137.5777 689643.3345 642591.4158 597885.7775 368879.4052 514161.9052 580592.7097 632122.7385 489219.6851 560914.5619 1121099.833 1133651.102 1049877.064 1428718.923 472215.7989 473821.7673 452816.7534 506141.2894 616891.6137 507540.7236 435613.3708 465740.4833 1017572.39 1016507.491 732740.6641 672384.5475 956659.4331 841756.6644 695100.413 737064.8156 874941.6475 827990.3516 765081.0134 696442.6799 648187.9524 761180.5904 717652.7402 768062.7917 854872.6779 1120957.684 854132.2456 899487.4089 1583735.55 1864072.556 1585571.747 1735407.566 579322.7118 596902.1203 632462.6398 650982.3692 1230593.509 1546181.084 1129550.007 1143506.991 1410205.251 1443063.582 1262232.028 1210786.78 853754.6325 851480.3581 833748.0375 777588.3832 353696.0461 388378.0578 270537.6169 351184.9823 727626.4439 932801.4191 771801.319 703478.891 Cholesterol sulfate 156277317.5 14270.67397 139374433.5 299449304.5 311049871.5 199024223.8 134879855.2 251083130.5 190806151.3 180343623.6 370106436.6 50695.71383 116175752.6 116835146.9 184461748 155028400.5 158450471.3 209457506.5 103314482.1 179852299.2 264698966.7 194768381.9 217793540.4 174596397.3 188839104.1 76323801.31 163051633.3 172428914.5 241978842.9 103859594.6 104196297.1 69537.54737 212672935.1 146649545.5 79051034.84 154181861.8 246160620.2 169098522.6 217124777.5 129931558.4 109787082.9 147133999.6 99566506.2 143077564.9 146011736.8 243247616.7 125742.4111 108921891.7 160113459.6 188153789.4 133477786.9 250870240.3 110508887.9 325190388.5 115704643.4 166510653.1 115431432.7 188605484.7 244014925.1 229762238 147872688.8 85383152.35 183864282.5 182125090.5 218867915.5 114608.5429 67972057.46 86412096.55 264579575.2 98587531.59 181282818 51452.01897 128931180.2 138145320.8 94435210.35 154192305 Pregnanediol O-glucuronide 1411652.985 1780819.612 1502245.118 1064297.668 1110177.454 1357843.163 795762.9793 986100.2072 2376557.386 2876188.485 1864351.854 2237691.209 1191748.094 951000.3016 640104.2384 1111474.989 2298622.147 1524337.556 1148082.162 1398815.034 573712.9843 440180.5881 384326.6059 644668.5238 1061012.107 783274.2025 768282.3904 1077603.43 2064018.804 1461451.698 1227640.655 1318226.059 1049710.282 1110765.782 944179.5183 1234934.797 1234569.752 1393507.604 1071480.5 1233400.193 1597951.371 1766846.124 1362163.48 1505436.373 1791043.283 1825782.364 1330859.437 2043383.638 2028422.535 2472962.184 1783489.47 1924323.642 1327938.883 953690.2082 994318.5967 1302432.171 1520527.326 1669368.254 1322017.56 1438373.448 1513366.378 1755537.36 1282109.95 1466106.949 1628156.086 1463968.481 1391185.552 1611734.648 740116.7882 771448.5417 662915.1166 844970.8706 795157.202 899712.5126 1087904.074 1097110.436 Taurochenodesoxycholic acid 3700322.143 28586640.24 11235091.22 5722341.815 7025961.365 4511362.898 14582568.58 5776727.025 32237196.5 57948766.91 32728088.17 20425928.93 8997826.212 8788687.928 13366999.09 11940523.62 14165772.77 9620142.761 22824076.13 10446145.74 11182976.7 5112125.541 5602971.821 8840693.187 30185943.22 4120883.931 28423643.56 17583615 30223335.62 5624056.116 32521394.79 28472708.04 1422373.176 483437.1294 7056192.856 555441.0769 77679545.67 29798219.73 22263335.34 34378354.97 6281484.844 3092714.309 3078216.303 2557222.92 25430457.69 13975948.81 22781083.5 4191265.619 5112599.608 3208781.399 8794391.127 20005161.68 12383743.35 8521786.886 6412267.259 23052749.87 14221966.82 8921116.594 5468605.303 18981254.43 13834537.2 8862763.461 8963839.984 11244221.13 18754989.81 16463539.64 29395795.64 25101077.54 3422556.816 4467842.211 3680926.15 44267900.68 32127878.34 6741954.967 4200743.996 10529317.32 Taurodeoxycholic acid 230157.6758 1461784.871 636607.5453 515316.6904 3698882.387 2065870.129 7000860.849 2926043.428 7268395.071 11111175.53 8284534.341 4757281.326 1445226.461 1318838.582 3023834.155 2395465.902 12390177.13 5587778.898 19388776.68 8813738.103 3675322.701 1709585.27 1970038.09 2823155.728 5430213.217 855460.5843 6351573.41 4218522.957 5388711.002 1132050.869 7882543.602 5802044.297 474353.3597 192060.4849 2069521.447 187927.0189 973022.8538 417868.6885 406271.0129 452482.2099 3039971.126 1586177.05 1674227.641 1182030.402 4219411.92 2302805.763 3501768.541 795056.8311 2837451.804 1780507.83 6351882.405 12533202.37 2351579.856 1666731.64 1177630.518 3749329.484 8635159.292 4482746.71 2914941.493 9152579.027 6083490.181 3924311.777 4916631.821 5669506.07 2691854.833 1811467.929 2971090.661 3040570.015 2160525.149 2515976.659 2523138.355 25777012.3 3023224.839 725694.5766 500304.1778 1146625.795 Pregnandiol sulfate (1) 557188.2987 900764.5045 852410.9731 707499.1413 716532.1968 985137.8319 892903.6217 1013965.798 4192523.153 4163522.478 5147654.932 3611869.473 2089302.742 2628831.492 2490071.796 2585165.154 1492555.072 1825618.17 1404342.107 924789.7664 1041908.541 1422058.675 1168407.091 1348189.298 1611571.774 1839734.919 1913197.408 2256573.99 3880949.691 3594819.893 2975718.092 2311342.173 777979.3072 749891.6987 591810.5483 670805.3333 3669574.477 4106116.433 4198569.514 3313608.201 2593061.262 3155222.081 2601819.246 2790232.988 1938500.858 2725363.703 2349424.516 2542518.478 1249050.724 1439754.022 1221873.663 906531.4966 539134.6907 768076.9653 571957.1097 746947.6477 1504124.848 1945630.336 1625182.898 1491777.221 922876.8862 1031498.612 966312.4206 856277.6294 1772163.114 2042014.504 1711016.746 1777844.756 724117.9274 743086.8923 802270.3213 687587.9299 582317.2722 664278.1225 526747.9151 544425.33 Sulfolithocholylglycine 1906063.306 3117948.281 2442192.106 3931306.502 49671801.99 39616244.93 52557350.03 47438041.19 33872361.57 24508393.75 33271689.46 13229126.75 18840706.55 28270159.72 15992745.02 11469025.65 65274908.32 65962984.38 54112390.79 24710843.18 30335311.2 31439581.89 18811688.96 18674966.13 10592904.84 6082625.01 13348771.65 114403747.5 25599920.02 21008528.95 20278178.37 18698144.44 75904191.05 33743479.55 71869130.92 75880443.46 1327732.443 1240815.07 1466283.233 1047784.376 46080210.48 31807849.88 31103495.83 29873699.87 6286094.617 6436722.728 4808731.034 40006499.67 65325322.17 45962681.58 57431450.76 45028668.62 49860648.14 44281068.01 52469310.9 98536232.51 28796556.94 24629500.93 23353427.71 20429124.04 43034033.77 36078732.46 39858561.39 42897734.54 2494338.564 2183414.766 2017697.329 4501913.491 22660336.97 30502534.73 38728813.65 37057593.55 17792367.53 14894870.45 14777054.07 27007861.9 Taurocholic acid 532498.28 5280638.131 1046829.497 745793.2919 975618.5096 567835.3378 1915633.05 664935.1702 4383462.064 5585783.137 4616130.442 2705707.404 1028872.96 891954.6346 1984625.603 1776594.276 3994800.732 982368.6079 4537812.323 2653562.911 1717115.275 742478.2455 1042088.388 1668476.905 2652155.705 407065.5132 3256403.129 1947854.126 3516244.723 706863.2702 3981606.753 3687156.257 166140.1374 35958.69268 445061.7213 5560.451296 13740911.01 9341046.099 6421818.828 6412469.289 767099.149 528109.666 466801.6494 344086.1772 1668354.054 874883.2937 1219749.789 411669.454 850347.3648 598495.1754 1625467.244 2666283.501 970964.5625 640819.6889 459075.7026 1813480.057 2638529.752 1195141.952 777538.5377 4264680.891 2910891.714 1661761.726 1258581.251 1468869.439 3348396.561 2102800.069 3917659.681 4736656.644 795620.6437 698088.2933 1710868.38 8825617.446 4355372.061 694192.2487 533636.5387 1388312.072 Glycoursodeoxycholate-3-sulfate 10946275.23 15344873.27 14895980.97 14489152.3 2418990.159 1953711.337 1940511.376 1881004.034 2227906.982 3037831.031 3787994.124 2520422.109 733507.5812 1585482.927 1326822.714 734239.5027 1675662.064 1836290.211 1603105.243 1286080.687 528774.5915 693236.5315 499279.5271 553820.4259 4316880.826 5000377.457 7196544.039 7807178.046 1332555.702 1686488.868 2019266.054 1536427.844 4412486.19 3425786.414 3898539.746 4227271.179 2393912.253 3909416.199 3185291.237 2230788.18 1718774.499 1758814.268 1246344.207 1111768.859 4937220.321 6220043.924 4499444.193 4643124.927 1168014.783 1149123.671 1208902.951 785168.5374 1368218.333 2921558.845 2070351.415 1836742.273 2072306.675 2709743.569 2096405.973 3090760.526 1860284.774 2880410.721 2013231.347 1444231.921 4153127.379 4674572.445 3509502.069 4529568.531 544551.2466 540968.7271 652397.1799 946360.1573 1387603.906 1208270.491 748408.5037 1611186.328 Glycochenodeoxycholate-3-sulfate 10885187.45 22359364.63 13135008.59 10494168.37 6909230.327 6334536.658 10510182.38 9267971.187 13745715.88 14353775.1 32990410.16 14900529.96 4148447.224 9859679.986 7897603.06 6104301.585 6502013.515 7978261.599 8296963.101 3758811.286 5141203.662 6626290.033 4183121.041 4737005.251 13700122.44 10697483.97 17809484.02 26353481.92 12064335.06 14203124.88 14021262.16 11937025.46 13549227.08 6065225.905 8910721.21 8867917.574 12050247.23 20332795.48 17882126.29 11771533.2 6870855.882 5558125.851 4976411.039 3361159.091 9391052.01 9289127.219 7588038.42 7044637.776 5865719.797 4883250.795 8262068.638 5275616.667 8531690.172 10942838.22 8506557.709 14038473.45 15194280.12 12322646 13976389.97 12753449.43 10715399.14 10828530.03 8157576.467 9810429.014 13740858.88 15086719.61 15018261.92 13679943.92 2693982.565 3570280.307 4256599.062 8161850.066 14615700.57 14621791 8223099.516 14865819.74 NegX-RT413MZ424(containing nitrate) 39029261.49 87289740.72 39583827.33 24000861.37 20646694.73 39801024.8 15739054.19 18826175.1 19298886.11 34499022.62 5490526.339 43565065.48 17067856.01 20350034.94 10683334.75 20428266.24 24161732.5 8420181.395 19600957.7 25692678.34 24358415.64 30833173.3 7332770.078 16567781.17 23816434.81 11351388.21 22243274.47 27184405.92 15298281.18 34421446.44 14584414.01 30870256.2 15840799.08 16310915.12 14290140.09 42752311.22 19635064.35 22100192.7 12955757.18 26782895.13 29198470.19 46773426.46 19314456.45 18389942.66 25817523.08 27401175.34 5323428.874 26601356.8 22723072.83 55770537.99 11769944.42 18575820.77 26131214.8 12013059.24 15322258.44 27969655.47 35124877.69 29949402.73 22614880.88 20660747.31 19710630.55 43647502.39 5820464.949 23275116.33 23165148.12 21187144.7 29993642.79 34704615.38 10657843.37 25656839.81 6296727.196 30365087.46 20564327.63 19999904.68 12558243.4 14650076.76 Taurolithocholic acid 3-sulfate 2730.659612 5459.679748 9911.824522 5721.787067 669492.0894 405730.7849 434989.2934 478846.7051 477650.1452 408526.882 728931.5696 214846.343 64859.78154 111589.3575 84804.36355 41484.5767 462023.2412 691143.0566 515978.3738 161438.9797 149640.6822 146386.8464 131775.2672 153461.9789 37399.34862 18988.76286 70063.43895 418714.7248 220467.4853 178998.4801 264254.8335 129547.9633 255841.3181 48981.92157 215333.8931 216815.9862 2600.533775 2709.350206 2606.459946 2729.633319 73747.59946 49817.2552 38332.88788 14067.64061 50499.24646 27692.86347 32965.12907 140434.1317 411170.8533 195875.6283 426905.7221 221615.9396 149909.2801 196115.6223 189944.0268 510897.544 237257.1416 256690.0812 181225.5995 183890.7301 429418.7622 280916.2139 390244.3319 314189.538 15573.63379 13260.34115 21044.23772 17344.08659 125682.0681 175626.8213 229380.8933 383777.7302 134337.0136 112091.1602 105502.0523 283168.7343 LysoPI(16:0/0:0) 2019667.108 2950705.442 1428249.689 2473237.469 2780766.101 2844207.864 1339621.249 1326271.714 2085365.892 2110542.851 3257356.953 1572952.695 1547354.632 1727308.229 1635666.261 1065929.326 1722908.78 2022195.174 1348760.087 1038999.109 1938330.731 1858014.233 1551335.836 1267036.501 1448687.845 1559324.462 1660454.12 1302432.537 1813524.827 1949994.31 1553357.887 1955280.932 1170792.497 1461749.759 1130107.951 1646214.494 1670096.469 2151265.957 1349070.222 2099471.649 1426317.954 2013041.855 1127328.185 1003193.983 1859394.233 1719086.198 1927086.107 1638834.794 1441125.443 2547524.25 1401503.2 1467106.799 1390332.685 3081650.679 1279087.201 1373567.941 1681340.769 1631314.771 2376926.271 1396335.161 1016940.25 1482723.96 1371913.693 1186647.37 1784369.587 1740568.627 1141574.166 1227897.641 1792380.679 1398975.864 1252430.33 2251980.26 1763553.522 1341934.213 1563914.719 1673599.933 (4E,15E)-Bilirubin IXa 19397742.31 33681320.45 28466223.42 11943030.96 10545177.1 19748481.21 23339962.89 30819106.04 4093469.071 5088822.916 2630097.474 7850214.481 2108535.929 2225713.272 781404.0115 1791806.478 1119432.163 830452.6778 389747.4214 1145392.301 2709394.819 2903208.686 1980838.124 5097269.252 1546531.66 2147810.42 1218949.151 1675513.872 4645104.897 5229919.112 2463431.995 1899465.295 7729428.508 12009590.04 12617828.46 13078845.46 3702283.641 5715117.28 2716282.578 2749659.06 2114543.293 4473139.308 3177823.931 1765539.796 2475803.943 3676576.814 1699352.391 5664142.55 21805906.13 32038801.51 16645560.66 14629445.82 1537641.235 1949701.011 1349293.504 4725595.166 2195644.054 2156442.035 915311.3539 1740518.885 2504330.523 4149893.11 1614977.014 1482627.448 6377497.195 8393538.902 4679487.293 12150573.32 6001397.01 13190664.36 7815323.555 7656114.661 19610350.17 29676185.86 23867819.8 7825324.433 7alpha-Hydroxy-3-oxo-4-cholestenoate isomer 2720097.08 5085835.325 4099328.139 2379707.772 2027005.693 3763682.148 2830183.833 1468104.973 1186541.618 1451943.49 1735643.339 1762538.082 2419548.183 3604575.264 1977974.397 1560693.893 1732111.998 1791574.527 2862408.725 1323914.003 2269149.819 2527761.377 2686687.986 2075152.378 1602742.532 3957428.144 3932914.249 2355982.651 1043635.81 4735550.061 4150192.751 4406958.978 1739017.031 1323703.682 4744327.652 3448996.04 2628689.611 4376524.796 2617228.54 2960103.232 3579574.479 4985001.462 3765358.154 3449534.916 2214129.141 2765121.825 3138089.28 4012827.213 812322.0798 3513256.256 2923497.78 1921665.375 3278979.968 2594579.18 3489905.07 2513679.092 2254672.353 1805846.618 2624210.612 1200280.898 1837159.569 3837449.616 2111420.497 1807259.162 1498558.384 3425314.01 3264462.601 2492858.521 2597625.241 4141152.648 3607375.575 3447017.322 2434784.759 3461906.77 5138617.949 2951998.885 (4E,15Z)-Bilirubin IXa 22534645.27 39277410.06 34061877.42 12853756.19 11632802.44 22563243.57 26594594.52 34217364.8 4627482.093 5588557.408 3254349.21 9624230.872 2864656.196 2974503.835 986196.036 2458292.196 1666343.756 55669.41424 513745.1368 1627104.245 3021331.027 3456537.28 2373240.289 6211295.959 1870320.916 3106048.337 1750989.251 1980051.911 5928428.672 6603858.569 3223634.876 2646991.882 8707290.244 12226940.8 15050072.53 16199949.74 4475885.948 6981757.119 3210905.015 3335448.291 2997657.412 6120150.981 4069034.829 2498784.269 3127901.103 4726660.41 2179214.617 7705142.875 22053638.48 37253717.42 19848421.3 15428810.41 2302203.322 88403.70125 1985089.17 5864163.357 2946873.418 2371758.76 1436715.733 2331686.857 3206811.015 5393417.001 1819423.665 1820177.16 8078609.883 10918397.79 5939869.569 14382067.86 6463568.179 15176563.87 8944383.634 8936654.3 19250263.96 32441958.44 28088168.98 9277628.855 LysoPI(0:0/18:2) 2083778.553 2443506.722 1411052.935 2352898.56 2992024.384 3749244.215 1466483.139 1564723.658 1284885.176 1499332.272 1557911.613 1459980.599 943583.0919 1410644.009 1114814.325 824867.5422 1245505.375 1283415.896 1664786.802 959976.3388 1712269.283 1768939.159 1541854.629 1022809.917 1273413.602 1354804.706 1555574.043 896798.0872 1630295.377 1592098.003 1554340.95 1763409.852 1875874.956 1502754.993 1258870.039 2425742.193 1453156.645 1597187.403 1488276.477 1239561.276 1598436.765 1976211.749 1457750.005 1043846.335 1845839.53 2571220.97 2069030.181 2371240.68 1219991.032 2030789.541 1656512.916 1319236.837 1952558.973 1107899.425 1744171.919 1584291.881 1547838.234 1319909.986 2272369.633 1385627.097 770122.9012 881665.8596 1400369.224 885247.6633 1009629.918 928734.3574 829572.618 865186.8695 2182193.074 1949937.882 1600210.405 2857412.537 1177291.072 1671384.117 1384730.101 1732476.68 LysoPI(18:2/0:0) 16767807.73 22470433.6 12131042.73 21148322.68 28269828.67 31267914.8 11927355.25 13115897.58 12606711.11 14660536.06 15642501.52 12807988.03 8209014.073 11844988.7 9825087.166 7488388.228 10351752.53 13075768.58 13605549.72 7799735.395 18807614.89 16991859.6 13072266.39 8264079.745 11223162.18 11691095.7 12503994.34 10887137.37 14426959.57 13968455.93 13298747.3 15793778.3 17415395.12 14131242.08 11684705.58 20076183.79 13268171.53 13674818.23 12232819.16 10439514.68 13427164.91 16057064.06 12228475.92 11078892.11 17140597.72 20945784.28 18228690.59 19953916.16 15113015.48 19926254.7 13256031.32 12717240.88 16605118.12 17122769.69 13691797.84 12082821.15 12777489 15678261.89 20134448.2 13856021.68 8768134.282 8578427.727 12145698.28 8074366.515 9348312.979 7606762.731 7148724.37 7565581.359 18936408.91 15946094.29 15412652.25 24735403.51 11969667.75 13517009.98 11437524.7 15316502.33 LysoPI(18:1) 6062206.866 9642579.77 3960799.008 10950959.29 13007442.92 15097124.83 5088793.411 5973351.338 4933459.055 6524556.585 8390604.718 5500382.217 3961277.672 6903329.505 5929796.674 3642069.424 5039283.072 6581822.335 5971301.765 3097580.465 7394898.34 8386657.458 5787940.333 3356910.629 3485862.655 4419537.415 5539771.587 3928240.222 5055801.229 5788532.606 6177634.38 7832807.031 4257972.866 4087387.094 2756330.197 7157824.841 6078355.705 7585018.112 6355834.607 6308857.019 6338195.371 8192559.337 4976217.078 4648976.585 7214710.924 9098133.658 8289176.508 6313929.108 3998945.016 7270514.754 4698311.815 4354204.415 5178194.821 7532081.094 4800741.002 3411755.692 3627652.718 5108345.54 7108517.302 4826650.215 2609172.676 3497414.819 4768945.305 3433315.238 5439397.211 4253983.347 3874917.864 4296001.781 4714980.247 4350698.225 3763643.577 11260281.78 3967943.187 5108575.92 3989763.39 6665509.103 LysoPI(0:0/18:0) 9856816.502 17928320.16 8405096.952 13340773.97 12772940.58 10930002.94 5685791.129 8016528.957 15290750.87 14009727.7 22106298.93 9538033.479 8553895.148 8183074.076 8851774.965 7402943.367 10174240.88 12692655.97 5720095.282 5990252.549 13868701.38 12021493.65 10321790.57 9110740.485 8782555.337 6779505.817 8751254.224 9739316.449 15197635.4 10335708.99 7514251.348 9354851.524 12094292.03 9944689.003 6750926.165 9985801.816 11648923.5 12394562.43 7756241.983 10753093.11 7231551.308 10597117.2 5594259.354 6872897.651 8191332.629 8531890.512 7773667.323 7353491.827 11395718.56 16775129.42 8607880.852 15303612.08 6334915.493 17903653.42 5852502.651 8079165.8 7275246.434 10832811.8 13563912.53 8095377.049 8822074.861 8566344.034 9182399.074 8552662.392 11235387.9 7782079.817 5580127.425 7407591.92 14749706.04 8325350.114 12254238.01 9001408.284 12193224.79 9789470.834 10228227.76 10733948.09 LysoPI(18:0/0:0) 1104024.253 1237675.222 1158812.81 197338.2713 781890.4856 1247139.517 1364161.804 510245.2604 368950.2441 68396.76034 652125.3276 1129589.022 1240038.56 686593.4857 52685.64711 693246.0029 1084082.441 135835.8506 1118929.104 575943.3851 584472.316 392029.6804 72278.00292 55014.63133 1866311.973 1008091.54 1730184.659 318876.9953 1263850.593 1279378.467 1572764.404 1129452.543 68914.68119 252764.5384 1351252.559 1913998.496 632470.1047 1191802.13 613760.3461 1076830.976 1565024.84 1016503.029 1064740.671 711058.9435 1706492.076 849578.5192 1572682.462 1706895.702 362389.823 1305575.867 923047.7223 469392.4221 1079843.276 162176.9186 1029280.588 421331.7371 1249216.946 155442.0328 1473650.318 565497.0863 843453.6093 986801.4808 767690.9759 701716.6665 1158638.985 1146527.749 1115243.064 1058486.435 1149543.506 1584951.211 496804.1243 795559.5149 252395.4729 441741.3901 1014700.406 235620.6451 LysoPI(0:0/20:4) 3340265.295 4017932.266 2746851.162 3118850.233 3037372.394 3891441.347 1787293.666 2001318.722 2097892.083 2561063.939 3114097.974 2545178.818 1703746.339 2137652.393 1852958.964 1254541.997 2481415.63 2217405.198 2612478.186 1513092.309 2494030.547 2201742.725 2106866.667 1073763.101 2192999.788 2386437.434 2596272.397 2026231.598 2421103.663 2724120.363 2488721.047 2277239.925 2819645.228 2442154.254 2127593.2 3625362.735 2324135.952 2553320.989 2311260.512 1789039.498 2178797.872 2859685.005 2034214.26 1733321.372 2955543.977 3116807.698 2862090.892 3229715.929 2641906.588 3132500.012 2286787.456 2075616.814 1740204.525 1729920.187 1582304.455 1522843.821 2018912.615 1982786.713 3088287.639 1578912.093 1372475.191 1821454.476 2558838.224 1423956.455 2483217.727 2063253.532 1824392.881 2096619.449 2349447.188 2510719.221 1899369.259 3887023.687 2224852.192 2737368.1 2489081.89 2448064.321 LysoPI(20:4/0:0) 29085338.36 37619452.53 24475949.71 37555842.64 34486018.24 35726841.26 15676811.96 19084853.85 23316403.64 25984042.62 32840395.32 22352099.66 15092291.95 19350828.53 17471906.82 13259149.26 22529989.67 24308934.39 21958221.43 13347612.69 30180992.1 24019667.58 19724188.41 14024360.32 20794916.05 20984342.04 22968797.7 22000505.26 26741492.56 23879002.48 22877865.58 21640147.72 25060229.46 21291091.97 19119859.7 31515259.17 22328104.14 22419845.67 21880582.99 16203689.89 19761827.22 23379388.86 18277904.37 17279919.71 26330777.51 27888010.83 25933904.28 29174398.5 24473111.47 28917288.67 20715531.97 18785643.64 16561499.4 18156166.23 14874030.42 13576557.98 17463419.59 21314842.36 26498673.04 17849724.93 16171058.44 15794110.06 22243837.11 14435966.67 22809857.27 18747555.15 17010435.29 19465466.36 24979658.43 20298656.34 22931332.49 34079871.4 23172834.41 24245719.49 22873662.88 22729415.06 LysoPI(20:3) 4455980.861 5951847.424 3682597.962 5349546.31 5640210.999 6039700.98 2137809.32 2704234.816 3012439.404 3444240.455 4690415.875 3031666.969 1702573.796 2266029.84 1803608.441 1274719.734 2671643.663 3096754.908 2638514.94 1564236.27 2869380.959 2323662.777 2003418.335 1184307.945 1461448.991 1825301.229 1941106.914 1715379.836 2744523.845 2485039.928 2175862.591 2289922.399 2541013.576 2091394.729 1787806.52 3644894.431 2025472.449 2113486.746 1976113.26 1522656.767 2722008.807 3517360.457 2465253.958 2316594.726 3113289.785 3556492.166 3196990.011 3488838.887 2485881.415 3386550.206 2041234.079 1812658.304 1633304.39 1896418.812 1391320.685 1353463.842 2091839.107 2478039.697 3457457.381 1876672.786 1868046.837 1976542.928 2589852.265 1484207.634 2834420.167 2404286.871 1987719.454 2114780.349 2861322.423 2436584.826 2517562.566 3863090.213 2709361.266 3283445.478 2855679.253 2977395.821 Human Fibrinopeptide B residual [1-13, XGVNDNEEGFFSA] 2437105.853 15710900.58 109564.8948 115309.7347 1025219.776 2096707.581 34939.58812 26029.86459 1787438.284 4378861.695 102946.9106 50363.84472 58274.92171 88232.73074 34646.95169 20059.29151 514082.4551 3296517.64 13981.03075 49808.20471 611351.1051 384408.4038 63367.10672 40364.98109 332560.8817 297858.3143 47906.16125 41070.84408 84036.14809 518053.9164 58801.73228 27680.96504 707043.9135 314407.5501 57735.67907 94731.35528 68866.37754 573388.9256 49339.95852 39809.91703 109423.5596 341092.4617 74603.27148 39186.10528 129579.2627 1061749.383 64440.05089 40513.62941 68548.48871 1806644.79 61570.00905 58517.3471 189544.9115 1433686.083 152475.7816 37784.7955 92012.2153 247162.1768 220327.9283 47887.60644 117785.8494 285710.8728 100114.3362 53282.24033 52842.48345 138229.0112 93021.37449 53420.81393 75817.27153 157982.9283 115189.2555 44002.77606 17809.47487 49144.00236 87022.59312 65229.95733 Human Fibrinopeptide A residual [2-16, DSGEGDFLAEGGGVR] 7091082.75 35211269.34 159900.401 58061.86636 1300669.998 3564708.876 51387.2195 4177.513047 3258909.603 6477976.772 44396.57878 106031.6516 69319.44132 25010.61199 19837.83824 16198.63472 1256511.168 6037590.985 32009.86367 18622.02473 1332524.805 662399.4537 31073.01198 9702.947602 549479.0723 577477.1166 74203.15486 22419.26986 135310.7645 1738618.108 68457.7419 71241.23048 1983016.43 615392.9681 86467.35067 553767.7406 82315.57791 1206093.971 35977.15041 53245.24554 157274.1795 332601.4201 11089.54518 13976.34932 184541.1526 1760278.813 24030.63499 10007.95093 29559.41533 4824688.903 65123.31364 4961.22713 578315.5937 4023758.725 446872.2078 2960.319012 221730.5388 452690.2559 48633.18547 4965.342135 77476.22654 879822.6667 6384.993173 5351.200635 12619.4842 368020.5875 93954.73048 94484.33643 122977.599 265541.4939 50232.3782 15277.07426 18974.38939 46141.30507 95602.10024 17161.87264 Bromide 1785278.613 724741.0474 1337708.84 1891534.708 1478829.959 1810289.059 1626644.516 1155722.985 2430912.347 1790755.281 2695967.542 2218132.995 2007136.19 1958834.313 2606751.237 1824302.803 1712281.589 1494776.09 1329916.404 2285751.788 2774455.98 2281471.423 1676069.184 2360352.12 2768337.667 2101942.381 1949296.683 2014549.93 2172795.379 2088482.016 2911666.169 2360498.154 2363269.254 1379837.906 1246421.269 1172031.824 710660.7616 983970.765 1679511.49 1641094.187 2217763.544 1155744.864 1780609.132 2688813.906 2759514.158 1073100.026 1977617.506 1098566.357 849148.5081 1733136.097 1526509.388 607888.5533 1545440.605 1645038.745 858454.9604 1799955.131 1557461.904 1979971.495 1424818.245 1698242.137 3998922.944 3337022.476 2070010.244 2561984.777 1512779.492 1783847.816 1439234.453 1418380.732 1405654.361 1953391.329 677243.3319 2596744.656 1581344.478 1452233.942 1023513.632 1374077.239 Pyruvic acid 29906217.88 44369482.24 43592501.59 43222261.09 41853405.95 48488540.63 33584182.09 41351162.32 72653094.24 54932547.34 44915054.52 37061615.38 70384337.4 66116361.34 43528566.78 36910506.88 42700598.34 51690745.11 43253291.39 37349113.56 45405716.2 42510182.56 47795244.6 40728767.45 46394088 46908906.25 46530630.74 56266704.99 49176085.32 49045683.2 42066075.71 45931367.4 34645292 44778191.24 39878888.31 41687288.46 35298994.73 47747611 30630945.57 50385992.06 37379768.55 43266878.34 43377016.94 34832567.99 34652695.24 37118009.18 28639747.62 30096385.61 40639225.61 43190944.66 39354743.89 37936981.96 39365225.35 31363397.87 46453337.37 47737375.38 47061770.22 44385129.15 51138901.13 52282183.79 29591705.35 38737095.74 30532491.36 31967293.59 49541782.3 59420484.87 47451819 55518757.53 29410709.38 43226588.51 32853713.39 38202820.94 36998576.98 42448155.17 31292227.61 28694206.07 Glycodeoxycholate-3-sulfate 3376783.821 5083817.679 4169736.619 5613721.499 8487640.344 9996507.351 16534506.52 12578394.98 10238529.32 13120710.13 25995903.76 9186493.911 2762584.743 7827215.735 6279807.389 3134493.307 17283993.94 20496863.26 20083746.14 8540479.428 4746306.951 6710447.477 4417049.07 4482148.463 8118381.862 7757993.574 12665329.81 21293532.8 4840342.097 6741615.38 6548017.889 4426913.872 13337679.15 7590987.49 10269575 9944705.924 738688.5427 1489085.358 1083184.621 573048.3909 10650422.54 8747676.567 8243798.887 5864503.104 8296705.272 8052009.633 6310143.283 4319038.691 12824468 10378755.12 18041770.66 9717934.195 4188820.061 6445157.808 6439591.843 5810125.728 20499811.5 20343085.6 19226552.14 19670712.62 13741935.87 16817759.24 15146425.17 12385164.69 4520874.276 4977354.08 4625912.375 4719673.416 3411543.85 4907555.388 5073105.684 10831243.11 4215999.113 4772626.219 2132161.413 3809468.722 Oxalic acid 746691.8688 2827789.169 2259257.967 2501066.951 128868.0575 1568396.816 1593259.397 2074354.609 1384538.679 2224889.721 1856263.243 1274774.222 743877.2027 1373803.485 625021.6685 329182.9987 1094636.408 1546375.349 1422769.731 216652.8622 867782.3838 762351.4652 1278476.576 265768.5226 801690.3222 1399175.612 2388073.335 1631434.41 951810.461 1445153.177 1003734.69 735509.649 1558236.264 1527035.483 722154.0744 1396263.439 512980.0276 1866430.233 2271507.483 2573555.005 184318.6195 2165264.397 1262336.936 844824.9809 530933.738 435732.4899 631299.6671 80171.92323 1720051.399 1214613.448 1338620.674 1692194.691 739208.9629 1398552.13 1155947.849 453765.2622 954224.3245 1392047.457 225257.0869 769914.0052 844835.7167 1320121.179 620477.9219 866540.3421 1150043.798 435937.6638 687512.4807 343431.027 804903.6736 1029960.842 194147.0179 131622.7642 1394108.034 234084.7719 1594487.763 1572590.923 Lactic acid 837634939.5 1294150125 783891253.6 712511934.9 834834332 966493522.2 539339757.1 573037570.8 859635656.3 973272928.7 564078120 534248902.5 639704477.5 798674925.5 625312441.3 469604409.5 792651480.2 821291588.6 586171151.6 667834926.8 779302773.8 680218401.9 697272111.1 755803268.6 824067994.6 575698577.5 517073988.1 627609876.9 879728972.1 665875745 522630333.3 854529648.3 563637665.6 687633617 574635930.2 838278285.5 605893336 556167919.3 423406242.3 605880742.6 847105368.5 664677880.1 712013869.2 650033879.9 706185307.7 619614132.6 429765318.6 432056134.7 615944115.7 759646379.9 584980943.4 668110833.7 764490335.3 611473097.7 877683355 625475077.3 1219831734 934800847 622400031.9 1401075646 771923675.9 681236454.9 513371000.5 655737072.6 921067496.1 699332813.8 710030034.7 800093928.7 754375810.9 641933378.1 529888654.7 605806589 672684778.1 751357714.6 479217658.9 458332847.2 Glycerol 539637.0535 6879863.647 1362741.437 1039289.597 1057744.12 1772244.658 884224.2091 360226.4466 577010.1521 1798720.132 2129621.706 416701.0283 1039342.924 2446585.013 575563.789 374517.1749 715447.2473 3081422.831 868225.0404 304311.6038 793182.0096 1611142.969 725018.0475 249218.2569 777379.1637 1136667.703 882504.3564 798937.9539 890881.0344 3578567.356 873413.836 862778.6774 436373.3306 1976721.909 349906.5879 1330265.045 629325.0625 2382298.059 1393656.388 786306.9996 765630.2116 3533481.551 695037.2172 587561.2358 620911.1711 1468547.832 1276163.753 848641.7147 872713.5168 4504194.761 761510.1203 650650.4995 803861.5838 1101530.52 557017.7979 281641.6502 720473.1018 2965859.21 2332163.461 364164.8399 497901.8733 1547346.808 798929.188 279339.6356 1317613.747 3794521.468 1578695.204 1010581.141 674168.7458 2065144.639 1670870.991 1407517.022 1033215.59 2077163.089 1277498.555 639471.7008 Sulfate 44335377.08 72217376.17 85180406.4 48038031.85 38160844.91 55317613.61 54178391.56 34492206.88 28587458.19 59490675.43 44656031.09 27363749.57 38973186.47 71602138.73 75532832.31 35617607.35 36930267.61 56200742.89 63799942.16 33982856.95 55385976.51 81246331.8 65469297.83 44587904.74 34913382.65 43965154.27 45974139.16 37074930.69 40471637.21 69988107.95 62850538.47 45099751.67 39106355.94 37896841.5 46708363.33 33810569.56 28013964.8 51787318.89 51076098.31 28491321.43 43290424.01 56303614.16 54548784.74 41180142.79 54081611.55 95120118.34 84327617.69 43513539.6 40641882.9 68529287.21 69832458.48 37118991.64 42832174.4 70426168.77 63866305.23 33314667.37 42616956.49 59431525.88 63453182.28 42088077.85 54200246.1 81095656.64 66051586.92 45695014.33 44605845.51 80704786.92 69317431.98 44704005.79 39717036.88 60148989.35 52271424.41 56726954.77 39551251.92 58583396.01 53847764.34 43407552.75 Phosphate 316224.9614 331378.5359 384720.9173 196857.6306 93586.55478 230512.6939 192150.6342 61463.64255 222839.0702 116854.2513 104862.0827 155505.6812 184349.8856 83820.03545 47049.87654 153957.2077 160020.5867 190999.2683 284482.0524 418123.9358 154448.2387 127908.2784 96135.42061 267340.8099 287251.5107 250392.308 258353.8064 214581.2322 252085.1284 141778.2211 279953.9729 111406.9626 94141.33215 187786.2478 144583.4272 286056.2133 178140.3933 135585.842 101437.1012 72851.33869 61246.54993 261564.7784 177029.8562 271310.2831 73452.62245 132296.3779 209792.6849 155505.9585 113355.3785 121762.8254 226780.772 153596.1137 155247.6513 260370.1606 229615.4315 135578.5608 313117.6863 239855.4752 48136.09385 91434.5158 444433.7721 178452.4878 283382.5909 95043.34255 366927.449 158030.7261 149284.0727 124876.5912 112450.0574 298463.3607 113291.1181 123745.3035 104148.6129 291264.1204 31477.43538 213695.1077 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RT M/Z Valeric acid(FFA(5:0) 0.93 101.0608 2-Hydroxybutyric acid+3-Hydroxybutyric acid 0.61 103.04007 Fumaric acid 0.51 115.00368 alpha-Ketoisovaleric acid 0.87 115.04007 Acetylglycine 0.53 116.03532 L-Valine 0.66 116.0717 Succinic acid 0.51 117.01933 2-Hydroxy-3-methylbutyric acid+3-Hydroxy-3-methylbutyric acid 0.83 117.05572 3,4-Dihydroxybutyric acid 0.59 119.03498 Iodide 0.59 126.90502 3-Methyl-2-oxovaleric acid 1.57 129.05572 4-Hydroxyproline 0.53 130.05097 Glutaric acid 0.59 131.03498 Methylsuccinic acid 0.59 131.03498 3-Hydroxyhexanoic acid 1.1 131.07137 Malic acid 0.53 133.01425 Threonic acid 0.54 135.0299 6-Oxopiperidine-2-carboxylic acid 0.64 142.05097 3-Methylglutaconic acid 0.59 143.03498 Oxoglutaric acid 0.53 145.01425 2-Hydroxyglutaric acid 0.51 147.0299 Ribose 0.59 149.04555 Imidazolelactic acid 0.59 155.04622 Allantoin 0.59 157.03671 Valerylglycine 1.78 158.08227 3-Hydroxyoctanoic acid(FFA(8:0-OH) 3.97 159.10267 Aminoadipic acid 0.53 160.06153 N-Acetylthreonine 0.61 160.06153 3-Hydroxymethylglutaric acid 0.59 161.04555 Acesulfame 0.92 161.98665 1,5-Anhydrosorbitol 0.62 163.0612 Ribonic acid+Xylonate 0.53 165.04046 Desaminotyrosine 1.01 165.05572 Phenyllactic acid 2.07 165.05572 N-Acetyltaurine 0.59 166.01795 9-Decenoic acid(FFA(10:1n1) 6.25 169.1234 Hexanoylglycine 3.32 172.09792 cis-Aconitic acid 0.48 173.00916 Formiminoglutamic acid 0.53 173.05678 Suberic acid(FFA(8:0-DC) 0.61 173.08193 N5-Acetylornithine 0.61 173.09317 3-Hydroxypyridine sulfate 1.03 173.98665 N-Acetyl-L-aspartic acid 0.53 174.0408 Ascorbic acid 0.53 175.02481 N-Formyl-L-methionine 0.95 176.03869 2,3-Dihydroxy-5-methylthio-4-pentenoic acid(DMTPA) 0.65 177.0227 Gluconolactone 0.55 177.04046 Aspirin 10.3 179.03498 Glucose+myo-Inositol 0.59 179.05611 Paraxanthine 2.46 179.05745 Mannitol+Sorbitol 0.59 181.07176 Azelaic acid(FFA(9:0-DC) 0.64 187.09758 3-Hydroxycapric acid(FFA(10:0-OH) 6.17 187.13397 2-O-Methylascorbic acid 0.59 189.04046 Citric acid 0.53 191.01973 Glucuronic acid 0.53 193.03538 Methyl beta-D-glucopyranoside 0.64 193.07176 3-Hydroxyhippuric acid 1.06 194.04588 Gluconic acid 0.53 195.05103 1,7-Dimethyluric acid 0.86 195.05236 Dodecenoic acid(FFA(12:1) 8 197.1547 4-Vinylphenol sulfate 4.45 199.00705 Octyl butanoate 9.75 199.17035 Cysteine-S-sulfate 0.53 199.96929 N-Acetylaminooctanoic acid 4.83 200.12922 Capryloylglycine 5.61 200.12922 Indole-3-pyruvic acid 2.69 202.05097 O-Methoxycatechol-O-sulphate 2.4 203.00197 4-Methylcatechol 2-sulfate 2.9 203.00197 4-Methylcatechol 1-sulfate 3.13 203.00197 gamma-Glu-Gly 0.53 203.06734 Pyrogallol-1-O-sulphate 0.59 204.98123 Pyrogallol-2-O-sulphate 1.57 204.98123 2-Methylcitric acid 0.48 205.03538 Ethyl beta-D-glucopyranoside 0.95 207.08741 Methyldodecanoic acid(FFA(13:0-CH3) 9.2 213.186 3-Hydroxydodecanoic acid 7.74 215.16527 2-Hydroxydodecanoic acid 8.15 215.16527 Methylpyrogallol sulfate 2.53 218.99688 Cys-Cys 0.58 223.02166 Myristoleic acid(FFA(14:1n5) 9.2 225.186 Dodecanedioic acid(FFA(12:0-DC) 2.8 229.14453 Benzeneacetamide-4-O-sulphate 3.35 230.01287 C-Mannosyl Glycine 0.53 236.07758 5alpha-Pregnan-3beta,20alpha-diol disulfate 5.2 239.0853 Thymidine 1.63 241.08299 3-Oxotetradecanoic acid 8.68 241.18092 Methylmyristic acid(FFA(15:0-CH3) 10 241.2173 Pentadecanoic acid(FFA(15:0) 10.2 241.2173 Uridine 0.64 243.06226 14-Hydroxymyristic acid(FFA(14:0-OH) 7.13 243.19657 3-Hydroxymyristic acid(FFA(14:0-OH) 8.83 243.19657 2-Hydroxymyristic acid(FFA(14:0-OH) 9.02 243.19657 4-Hydroxychlorothalonil 6.37 244.90817 Ethylparaben sufate 4.74 245.01253 Pregnenolone-3,21-disulfate 5 245.06711 5,6-Dihydrouridine 0.64 245.07791 NegX-RT32MZ129 0.49 129.01933 C-Mannosyl Alanine 0.53 250.09323 Hexadecadienoic acid(FFA(16:2) 9.71 251.20165 Daidzein 4.61 253.05063 Palmitoleic acid(FFA(16:1) 10.24 253.2173 3beta-Hydroxy-5-cholenoic acid glycine conjugate 3-O-sulfate 6.1 254.62291 Ascorbic acid-2-sulfate 0.51 254.98163 NegX-RT40MZ141 0.66 140.97807 Palmitic acid(FFA(16:0) 10.6 255.23295 5-Methyluridine 1.22 257.07791 2'-O-Methyluridine 1.22 257.07791 Tetradecanedioic acid(FFA(14:2-DC) 4.06 257.17583 NegX-RT295MZ165 5.13 165.0921 Propylparaben sulfate 5.7 259.02818 Leu-Glu 0.9 259.12994 O-Sulfotyrosine 0.61 260.02343 NegX-RT385MZ193 6.64 193.1234 gamma-CEHC 4.43 263.12888 C-Mannosyl Serine 0.53 266.08814 3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid 4.47 267.1238 Heptadecenoic acid(FFA(17:1) 10.4 267.23295 Methyl hexadecanoic acid(FFA(17:0-CH3) 10.9 269.2486 Heptadecanoic acid(FFA(17:0) 11.1 269.2486 3-Hydroxyhexadecanoic acid 10.1 271.22787 16-Hydroxyhexadecanoic acid 8.35 271.22787 NegX-RT37MZ197 0.59 197.03163 NegX-RT171MZ00 2.88 200.02879 5-Hydroxyhexadecanoic acid 9.56 271.22787 Palmitic acid-[13C]16 10.65 271.28663 Androstenediol disulfate (1) 4.5 224.06183 Stearidonic acid(FFA(18:4n3) 9.63 275.20165 Monoethylhexyl phthalic acid 7.95 277.14453 Androstenediol disulfate (2) 4.95 224.06183 Alpha-Linolenic acid(FFA(18:3n3) 9.77 277.2173 C-Mannosyl Valine 0.64 278.12453 Linoleic acid(FFA(18:2n6) 10.3 279.23295 3beta-Hydroxy-5-cholenoic acid taurine conjugate 3-O-sulfate 6.23 279.61423 C-Mannosyl Threonine 0.53 280.10379 Bromo-tryptophan 4.3 280.99311 Oleic acid(FFA(18:1n9) 10.86 281.2486 p-Cresol glucuronide 2.3 283.08233 Hexadecanedioate(FFA(16:1-DC) 5.34 283.19148 Stearic acid(FFA(18:0) 11.45 283.26425 Hexadecanedioic acid(FFA(16:0-DC) 5.5 285.20713 EDTA 0.53 291.08339 C-Mannosyl Leucine 0.9 292.14018 NegX-RT464MZ239 8.02 239.16558 C-Mannosyl Asparagine 0.53 293.09904 Hydroxy-CMPF 0.63 255.08741 N4-Acetylsulfamethoxazole 2.99 294.0554 9-HODE 8.82 295.22787 Tetradecanedioic acid(FFA(14:2-DC) isomer1 4.25 257.17583 Nonadecenoic acid(FFA(19:1) 11.2 295.26425 L-Cysteinylglycine disulfide 0.54 296.03804 Tetradecanedioic acid(FFA(14:2-DC) isomer2 4.39 257.17583 3-Hydroxystearic acid 10.85 299.25917 2-Hydroxystearic acid 10.92 299.25917 12-Hydroxystearic acid 9.81 299.25917 Tetradecanedioic acid(FFA(14:2-DC) isomer3 4.54 257.17583 Eicosapentaenoic acid(FFA(20:5) 9.8 301.2173 Arachidonic acid(FFA(20:4) 10.3 303.23295 Fluconazole 4.85 305.09679 Eicosatrienoic acid(FFA(20:3n3) 10.67 305.2486 Eicosatrienoic acid(FFA(20:3n6) 10.8 305.2486 Eicosatrienoic acid(FFA(20:3n9) 11.04 305.2486 C-Mannosyl Glutamine 0.53 307.11469 Eicosadienoic acid(FFA(20:2n6) 11.1 307.26425 Eicosenoic acid(FFA(20:1) 11.55 309.2799 Hydroxyhexadecanoic acid isomer1 8.72 271.22787 Octadecendioic acid(FFA(18:1-DC) 6.47 311.22278 Arachidic acid(FFA(20:0) 12.08 311.29555 Hydroxyhexadecanoic acid isomer2 9.07 271.22787 Phe-Leu 5.03 277.15577 NegX-RT539MZ295 8.99 295.22787 N-Acetylglucosamine sulfate 0.59 300.03947 Octadecanedioic acid(FFA(18:0-DC) 6.8 313.23843 12,13-DHOME 7.65 313.23843 9,10-DHOME 7.99 313.23843 NegX-RT439MZ313 7.29 313.12007 Stearic acid-D35 11.33 318.48394 15-HETE 8.85 319.22787 12-HETE 9.2 319.22787 11-HETE 9.52 319.22787 5-HETE 9.8 319.22787 Oleoylethanolamide 12.4 324.2908 Chloramphenicol-D5 5.6 326.03643 Docosahexaenoic acid(FFA(22:6) 10.51 327.23295 Docosapentaenoic acid(FFA(22:5n6) 10.5 329.2486 Docosapentaenoic acid(FFA(22:5n3) 10.72 329.2486 Docosadienoate(FFA(22:2) 11.7 335.29555 Erucic acid(FFA(22:1n9) 12.13 337.3112 Behenic acid(FFA(22:0) 12.59 339.32685 Eicosanedioic acid(FFA(20:0-DC) 8.08 341.26973 N-Palmitoyl Serine 10.4 342.26498 Corticosterone 7.72 345.20713 Dihydronaringenin-O-sulphate 4.17 353.03366 Tricosanoic acid(FFA(23:0) 12.63 353.3425 Tetracosahexaenoic acid(FFA(24:6) 11.04 355.26425 Nervonic acid(FFA(24:1) 12.61 365.3425 Dehydroepiandrosterone sulfate 6.96 367.15847 Testosterone sulfate (1) 7.2 367.15847 N-Oleoyl-Serine 10.6 368.28063 Isooctadecanedioic acid(FFA(18:0-DC) 6.5 313.23843 NegX-RT573-C18H34O4 9.55 313.23843 Androsterone sulfate (1) 5.83 369.17412 Androsterone sulfate (2) 5.97 369.17412 3beta-Hydroxy-5-cholenoic acid 7.7 373.27482 Enterolactone sulfate 5.15 377.07005 Isoursodeoxycholic acid 6.35 391.28538 Ursodeoxycholic acid 6.85 391.28538 Hyodeoxycholic acid 6.93 391.28538 3-Epideoxycholic acidacid 7.07 391.28538 Chenodeoxycholic acid 8.03 391.28538 Deoxycholic acid 8.3 391.28538 Androsterone sulfate (3) 6.8 369.17412 Androsterone sulfate (4) 7.2 369.17412 Androsterone sulfate (5) 7.55 369.17412 Pregnenolone sulfate 7.56 395.18977 CDCA-D4 8.07 395.31049 Deoxycholic acid isomer 1 8.45 391.28538 Deoxycholic acid isomer 2 8.69 391.28538 Deoxycholic acid isomer 3 8.89 391.28538 Ursocholic acid+Alpha-Muricholic acid+Beta-Muricholic acid 6.1 407.2803 Hyocholic acid 6.91 407.2803 LysoPA(16:0/0:0) 12.02 409.23606 Perfluorooctanoic acid(PFOA) 7.9 412.96643 Steroid-C21H34O3 monosulfate 6.69 413.20033 3beta-Hydroxy-5-cholestenoic acid 9.51 415.32177 5beta-Pregnanediol sulfate 7.1 397.20542 Pregnanediol monosulfate 7.3 399.22107 7alpha-Hydroxy-3-oxo-4-cholestenoate 8.5 429.30103 3b-Hydroxy-5-cholenoic acid glycine conjugate 7.7 430.29628 LysoPA(0:0/18:2) 11.41 433.23606 LysoPA(18:2/0:0) 11.59 433.23606 LysoPA(0:0/18:1) 11.96 435.25171 LysoPA(18:1/0:0) 12.13 435.25171 Glycoursodeoxycholic acid 7.2 448.30685 Chenodeoxycholic acid glycine conjugate 8.1 448.30685 Deoxycholic acid glycine conjugate 8.3 448.30685 LysoPA(0:0/20:4) 11.31 457.23606 LysoPA(20:4/0:0) 11.52 457.23606 Glycohyocholic acid 6.74 464.30176 Glycocholic acid 7.34 464.30176 Androsterone O-glucuronide 6.99 465.24939 Cholesterol sulfate 12.27 465.3044 Pregnanediol O-glucuronide 7.31 495.29634 Taurochenodesoxycholic acid 8.15 498.28948 Taurodeoxycholic acid 8.37 498.28948 Pregnandiol sulfate (1) 7.75 399.22107 Sulfolithocholylglycine 6.85 512.26875 Taurocholic acid 7.4 514.2844 Glycoursodeoxycholate-3-sulfate 5.3 528.26366 Glycochenodeoxycholate-3-sulfate 6.23 528.26366 NegX-RT413MZ424(containing nitrate) 6.88 424.19769 Taurolithocholic acid 3-sulfate 6.96 562.25138 LysoPI(16:0/0:0) 10.52 571.28889 (4E,15E)-Bilirubin IXa 6.4 583.25621 7alpha-Hydroxy-3-oxo-4-cholestenoate isomer 8.36 429.30103 (4E,15Z)-Bilirubin IXa 6.64 583.25621 LysoPI(0:0/18:2) 10 595.28889 LysoPI(18:2/0:0) 10.2 595.28889 LysoPI(18:1) 10.72 597.30454 LysoPI(0:0/18:0) 11.26 599.32019 LysoPI(18:0/0:0) 11.39 599.32019 LysoPI(0:0/20:4) 10.04 619.28889 LysoPI(20:4/0:0) 10.18 619.28889 LysoPI(20:3) 10.5 621.30454 Human Fibrinopeptide B residual [1-13, XGVNDNEEGFFSA] 2.77 696.77167 Human Fibrinopeptide A residual [2-16, DSGEGDFLAEGGGVR] 2.69 731.31677 Bromide 0.58 80.91684 Pyruvic acid 0.53 87.00877 Glycodeoxycholate-3-sulfate 6.34 528.26366 Oxalic acid 0.53 88.98803 Lactic acid 0.58 89.02442 Glycerol 0.64 91.04007 Sulfate 0.51 96.9601 Phosphate 0.29 96.96962 METABOLITES_END #END