#METABOLOMICS WORKBENCH zys1986062186_20240707_232631 DATATRACK_ID:4988 STUDY_ID:ST003348 ANALYSIS_ID:AN005484 PROJECT_ID:PR002083 VERSION 1 CREATED_ON 01-23-2025 #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 This study investigates the metabolic changes induced by endurance exercise, PR:PROJECT_SUMMARY specifically race walking, in a cohort of 19 athletes. Blood samples were PR:PROJECT_SUMMARY collected at four time points: pre-exercise (REST), immediately post-exercise PR:PROJECT_SUMMARY (STAT), 3 hours into recovery (REC3), and 22 hours post-exercise (REC22). A PR:PROJECT_SUMMARY total of 859 metabolites were identified through the untargeted method, and 465 PR:PROJECT_SUMMARY metabolites and 411 lipids were identified through the targeted methods. PR:PROJECT_SUMMARY Rigorous quality control measures were implemented throughout the study to PR:PROJECT_SUMMARY ensure data reliability. The comprehensive dataset, which is publicly available PR:PROJECT_SUMMARY on the Metabolomics Workbench website, offers valuable insights into the PR:PROJECT_SUMMARY systemic metabolic shifts triggered by endurance exercise. This resource may PR:PROJECT_SUMMARY prove instrumental in uncovering biomarkers associated with athletic PR:PROJECT_SUMMARY performance, providing a foundation for future research in exercise physiology PR:PROJECT_SUMMARY and metabolic health. 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 PR:DOI http://dx.doi.org/10.21228/M8C802 #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 ST:SUBMIT_DATE 2024-07-07 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:SPECIES_GROUP Mammals #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 79_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=79_4 SUBJECT_SAMPLE_FACTORS - 81_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=81_4 SUBJECT_SAMPLE_FACTORS - 83_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=83_4 SUBJECT_SAMPLE_FACTORS - 84_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=84_4 SUBJECT_SAMPLE_FACTORS - 85_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=85_4 SUBJECT_SAMPLE_FACTORS - 86_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=86_4 SUBJECT_SAMPLE_FACTORS - 87_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=87_4 SUBJECT_SAMPLE_FACTORS - 88_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=88_4 SUBJECT_SAMPLE_FACTORS - 89_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=89_4 SUBJECT_SAMPLE_FACTORS - 90_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=90_4 SUBJECT_SAMPLE_FACTORS - 91_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=91_4 SUBJECT_SAMPLE_FACTORS - 92_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=92_4 SUBJECT_SAMPLE_FACTORS - 93_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=93_4 SUBJECT_SAMPLE_FACTORS - 94_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=94_4 SUBJECT_SAMPLE_FACTORS - 95_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=95_4 SUBJECT_SAMPLE_FACTORS - 96_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=96_4 SUBJECT_SAMPLE_FACTORS - 97_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=97_4 SUBJECT_SAMPLE_FACTORS - 98_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=98_4 SUBJECT_SAMPLE_FACTORS - 99_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=99_4 SUBJECT_SAMPLE_FACTORS - 79_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=79_3 SUBJECT_SAMPLE_FACTORS - 81_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=81_3 SUBJECT_SAMPLE_FACTORS - 83_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=83_3 SUBJECT_SAMPLE_FACTORS - 84_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=84_3 SUBJECT_SAMPLE_FACTORS - 85_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=85_3 SUBJECT_SAMPLE_FACTORS - 86_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=86_3 SUBJECT_SAMPLE_FACTORS - 87_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=87_3 SUBJECT_SAMPLE_FACTORS - 88_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=88_3 SUBJECT_SAMPLE_FACTORS - 89_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=89_3 SUBJECT_SAMPLE_FACTORS - 90_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=90_3 SUBJECT_SAMPLE_FACTORS - 91_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=91_3 SUBJECT_SAMPLE_FACTORS - 92_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=92_3 SUBJECT_SAMPLE_FACTORS - 93_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=93_3 SUBJECT_SAMPLE_FACTORS - 94_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=94_3 SUBJECT_SAMPLE_FACTORS - 95_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=95_3 SUBJECT_SAMPLE_FACTORS - 96_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=96_3 SUBJECT_SAMPLE_FACTORS - 97_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=97_3 SUBJECT_SAMPLE_FACTORS - 98_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=98_3 SUBJECT_SAMPLE_FACTORS - 99_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=99_3 SUBJECT_SAMPLE_FACTORS - 79_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=79_1 SUBJECT_SAMPLE_FACTORS - 81_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=81_1 SUBJECT_SAMPLE_FACTORS - 83_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=83_1 SUBJECT_SAMPLE_FACTORS - 84_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=84_1 SUBJECT_SAMPLE_FACTORS - 85_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=85_1 SUBJECT_SAMPLE_FACTORS - 86_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=86_1 SUBJECT_SAMPLE_FACTORS - 87_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=87_1 SUBJECT_SAMPLE_FACTORS - 88_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=88_1 SUBJECT_SAMPLE_FACTORS - 89_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=89_1 SUBJECT_SAMPLE_FACTORS - 90_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=90_1 SUBJECT_SAMPLE_FACTORS - 91_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=91_1 SUBJECT_SAMPLE_FACTORS - 92_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=92_1 SUBJECT_SAMPLE_FACTORS - 93_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=93_1 SUBJECT_SAMPLE_FACTORS - 94_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=94_1 SUBJECT_SAMPLE_FACTORS - 95_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=95_1 SUBJECT_SAMPLE_FACTORS - 96_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=96_1 SUBJECT_SAMPLE_FACTORS - 97_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=97_1 SUBJECT_SAMPLE_FACTORS - 98_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=98_1 SUBJECT_SAMPLE_FACTORS - 99_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=99_1 SUBJECT_SAMPLE_FACTORS - 79_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=79_2 SUBJECT_SAMPLE_FACTORS - 81_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=81_2 SUBJECT_SAMPLE_FACTORS - 83_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=83_2 SUBJECT_SAMPLE_FACTORS - 84_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=84_2 SUBJECT_SAMPLE_FACTORS - 85_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=85_2 SUBJECT_SAMPLE_FACTORS - 86_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=86_2 SUBJECT_SAMPLE_FACTORS - 87_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=87_2 SUBJECT_SAMPLE_FACTORS - 88_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=88_2 SUBJECT_SAMPLE_FACTORS - 89_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=89_2 SUBJECT_SAMPLE_FACTORS - 90_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=90_2 SUBJECT_SAMPLE_FACTORS - 91_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=91_2 SUBJECT_SAMPLE_FACTORS - 92_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=92_2 SUBJECT_SAMPLE_FACTORS - 93_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=93_2 SUBJECT_SAMPLE_FACTORS - 94_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=94_2 SUBJECT_SAMPLE_FACTORS - 95_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=95_2 SUBJECT_SAMPLE_FACTORS - 96_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=96_2 SUBJECT_SAMPLE_FACTORS - 97_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=97_2 SUBJECT_SAMPLE_FACTORS - 98_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=98_2 SUBJECT_SAMPLE_FACTORS - 99_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=99_2 #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 40âminutes, and then CO:COLLECTION_SUMMARY centrifuged at 13000âg for 10âminutes. The sera were frozen in dry ice CO:COLLECTION_SUMMARY immediately after collection and then stored at â 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:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) CH:COLUMN_TEMPERATURE 50 CH:FLOW_GRADIENT 2% B to 100% B in 10 min. CH:FLOW_RATE 0.4 mL/min CH:SOLVENT_A 100% water CH:SOLVENT_B 5% water/95% acetonitrile CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS - MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples 79_4 81_4 83_4 84_4 85_4 86_4 87_4 88_4 89_4 90_4 91_4 92_4 93_4 94_4 95_4 96_4 97_4 98_4 99_4 79_3 81_3 83_3 84_3 85_3 86_3 87_3 88_3 89_3 90_3 91_3 92_3 93_3 94_3 95_3 96_3 97_3 98_3 99_3 79_1 81_1 83_1 84_1 85_1 86_1 87_1 88_1 89_1 90_1 91_1 92_1 93_1 94_1 95_1 96_1 97_1 98_1 99_1 79_2 81_2 83_2 84_2 85_2 86_2 87_2 88_2 89_2 90_2 91_2 92_2 93_2 94_2 95_2 96_2 97_2 98_2 99_2 Factors Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:stat 11-HETE 1631924.0290 897541.4990 919594.5567 381084.6420 446839.4426 450504.8732 434738.6439 579071.3813 864471.5120 319331.9308 373526.0606 1640452.4860 594448.4850 466776.7482 502046.2869 170244.3810 612077.6680 747469.6333 775418.6999 2254462.2430 569350.2433 2125900.0330 164411.3325 791713.0369 336897.5774 353867.9899 271790.0573 262087.8124 527408.9117 435091.6076 686425.8790 662272.5413 567844.4396 1696610.1840 539555.2606 497195.3531 1191372.2380 624878.4605 1302160.7490 725660.8243 310967.0839 368440.9578 435026.2663 613770.8305 291099.8768 332816.1800 671428.6412 490668.2842 572483.7370 636724.9574 920279.7214 478910.7949 1115028.7690 696412.8453 874790.3602 1047687.1500 707025.4738 4067155.4110 1776432.4930 1302570.3530 867971.4606 1441405.0750 857647.4227 622948.5021 1253194.6470 806991.8316 941285.6886 1445228.6260 1185779.7960 2234972.9890 845075.6784 1640902.3730 1495471.8320 1503733.1260 1133992.1380 1026237.3290 12_13-DHOME 1891017.7890 3019517.5070 1874739.4670 1349289.8370 732899.9185 912618.4530 801933.6670 2081988.1480 1058202.5500 1555878.1590 1854229.6640 1305547.5050 733836.8167 2012429.5340 1708165.1860 1374464.7920 863032.4964 2039543.1050 1310621.5350 1677611.7340 1617802.3830 1678569.1910 630046.6435 1266844.5630 690935.8775 826617.5199 1113900.9800 1389442.4510 970663.4786 1185723.3730 1227569.3520 1311483.8520 649023.7149 971095.5446 912716.5871 911720.4611 1438294.5880 829413.4221 617521.7987 1338250.1540 923312.1112 629745.4131 1015883.2920 1164869.2050 565567.9731 780827.2417 977869.7961 885433.9877 1245684.4960 1005242.7470 646377.2372 896089.3416 510719.1994 527370.5268 1075814.3650 931795.6540 910655.9182 2387086.6610 2315755.6440 757919.4708 901606.2948 1332968.1740 827984.6370 721143.8320 1547958.8130 1002791.6950 950522.9187 1451691.8720 842769.6168 1026551.4320 668732.1610 731975.3406 1252536.6590 1495321.5080 971899.2431 1005968.0650 12-HETE 23800.3474 7653.8689 9788.2428 11705.9193 11504.2149 21466.6601 25614.0416 10398.8443 5561.6527 7265.1064 21314.0727 7034.5132 7966.0165 7765.7063 24954.8920 28565.9370 20808.9150 12443.9860 8283.3258 7327.4486 21610.2424 8593.2924 6984.6218 10310.2123 9277.0893 4344.3335 6876.8243 11066.3971 18065.5660 4300.3634 61959.5493 9626.2189 10141.7444 5478.8842 12677.2030 8206.6646 14286.8662 6493.7907 8220.3926 11819.1300 89469.4563 5492.7519 5271.4376 10729.1478 6570.5364 19965.7013 8646.5567 19420.9550 4697.8891 5254.8749 14758.8023 10133.2688 12066.9831 10511.5156 11796.9771 51468.2355 10774.4565 8021.5949 19041.4174 12086.1518 5467.3776 47495.5169 6973.1678 10561.0093 5961.0376 10714.9673 12711.1046 6603.7428 50022.2590 5928.5647 9637.4352 78426.1912 12167.0742 5827.4724 5811.2960 7558.2068 12-Hydroxystearic acid 232153.8461 242248.4453 213761.2400 211149.5893 175656.5614 161136.8861 73167.0886 77627.3260 16185.0161 234016.7740 192925.1131 244306.9061 101263.1291 163942.9511 35152.5647 89971.0887 34980.2375 349807.7344 69931.6779 413470.1347 275011.6420 117898.3595 159835.3846 326180.1903 156960.3493 270641.7796 56446.6714 24370.2620 340449.4242 198685.3157 34015.2374 343978.7369 368228.3698 279919.4813 201494.2687 307846.3010 293716.9469 247571.8334 286242.5982 21821.7732 154577.1989 61624.5137 308139.4999 130509.6802 228448.0317 192350.8093 96986.5121 32275.0535 47143.8790 271339.1845 208544.5354 169231.3869 145842.2558 44851.8874 171389.2707 136614.4247 209766.0362 400628.0569 368315.1419 103312.5659 247411.6307 146820.1056 92354.3047 204304.0678 262940.3724 79519.3520 308097.1689 269076.2067 248047.5364 332237.0553 258442.9137 82002.3934 14206.0386 11219.3798 164462.6427 208883.6108 14-Hydroxymyristic acid(FFA(14:0-OH) 5703.1612 6340.4853 3468.7501 5491.1875 4828.4689 15188.7747 10607.2714 3850.1497 3448.1421 4825.7948 12463.8027 19798.3662 6677.1288 6786.1528 5792.8940 6060.2221 3188.3010 3390.0285 6617.8741 3482.0076 10872.7701 7597.4417 4555.5124 3855.5800 6886.0493 2785.1227 12694.0056 12798.4940 5630.0377 8754.5185 21756.3232 13456.4086 12255.1014 3667.0777 14647.9499 4992.2736 6524.1218 8427.8242 5765.8388 10857.5436 1325.8816 4005.1644 9346.0687 8060.3285 4344.9051 5674.0384 6453.2617 16455.9180 3864.7600 7506.6593 6800.3613 3127.9323 6169.4074 6001.1057 6070.3855 5524.1048 21950.2615 3315.6542 5141.0909 7544.7862 3115.3554 5616.7787 5298.4515 7864.7044 14185.5419 5054.8197 3986.1845 3320.1976 4999.7800 7554.0142 6345.6996 5959.2032 6739.1562 11939.4614 2659.3375 4500.8150 1_5-Anhydrosorbitol 654368111.9000 489048079.5000 581008989.5000 481904623.7000 409282335.8000 375171402.9000 295360205.3000 406965468.8000 560169679.3000 501672785.2000 297773702.5000 588976119.0000 475329490.5000 436430138.5000 605272631.4000 421936140.7000 482834662.6000 456548239.8000 474305827.4000 860379313.4000 671660604.6000 514790691.1000 490030475.4000 558732792.4000 408951038.0000 364251909.9000 399544009.8000 562708508.1000 380163657.2000 377331696.0000 605621091.9000 601795459.1000 564216068.1000 810834216.4000 443784920.7000 491741998.7000 368595829.4000 608432314.7000 852802165.2000 528618978.7000 484884413.3000 602405114.4000 542486980.9000 408616979.7000 281253275.4000 323000102.1000 451872585.8000 375851373.8000 391778958.1000 585522677.9000 482209920.8000 562015311.2000 780160719.3000 447750246.1000 372878574.0000 364203866.2000 476916478.0000 908132391.2000 662150233.7000 503317699.2000 575089778.0000 439578301.4000 402610511.6000 382917511.7000 415225523.2000 440322836.5000 506560105.6000 408456250.4000 479134388.0000 610738001.8000 474646803.5000 651630466.8000 584659067.1000 503951448.5000 479564412.2000 472164634.8000 15-HETE 964931.1161 620018.9197 873808.9459 361790.2059 619593.2875 521516.8382 688854.0890 658702.8609 959884.4318 611423.1457 525266.9598 741753.6571 425965.9866 480231.2199 948786.7215 325399.3441 331097.4883 562846.2480 270129.3799 2967443.7290 407290.1937 1386103.1640 262165.7888 397154.4261 388625.6375 477794.3949 742656.2724 406674.4805 448945.9266 750570.1739 660862.7675 897243.2220 1683970.1990 5453821.6550 1550870.9320 747538.8913 1398212.3740 621941.8329 1320103.9610 1158508.4090 883916.7042 340863.8693 419444.5852 605797.1699 286925.5082 628253.9089 430382.9190 582105.5530 1142784.3150 515648.6759 690054.5922 576262.1207 1522217.9570 708608.1449 960807.8980 636152.4486 165582.5082 6022571.9670 2464673.1460 2864052.2080 1806828.7850 2262051.8820 1944265.5130 1202498.0710 2461003.4820 1249500.7920 1302547.1070 3712462.6120 1290258.1560 1373436.3700 1217142.7900 3045706.1420 1483767.4980 953045.4714 1153466.9140 676539.8953 16-Hydroxyhexadecanoic acid 871245.1345 365588.0632 283945.3231 291625.5421 422015.3870 289466.8487 406917.7115 381940.7256 612045.5560 262965.9138 256445.2137 813589.3044 272735.9006 230913.1100 225504.4175 243965.8165 434543.5446 8766.2949 554530.4553 1030421.0690 360905.8986 1094265.6170 365874.5126 245207.6654 417525.5768 402574.9668 380130.0951 225577.9477 625224.0020 396055.2468 579740.2509 399138.3552 359087.5351 1029000.7350 685419.2527 611235.9838 790482.3930 561042.9721 428788.0987 227165.1823 312621.6678 407828.6125 308468.8507 294749.8374 355940.5659 371679.6895 483333.3754 436399.9922 410121.9222 284813.3938 353503.5199 386240.1621 369649.9256 359998.9359 467223.2816 303139.4024 385926.9398 1282113.3120 636292.7388 348229.4060 759027.4706 822447.3715 480867.4058 591235.6469 845201.0802 605226.0081 614790.3968 1142011.0110 528868.7713 531076.5537 563552.0901 705298.3248 1277954.0570 1930949.5890 517968.8330 624101.9728 1_7-Dimethyluric acid 841699.7255 189105.9864 405683.5189 290942.2528 2776.4138 601374.2299 413507.8220 1218562.7390 1427005.4180 163771.7782 22778.2907 3060.5312 52701.1767 89129.1372 538394.1848 667848.4788 9252.5051 6726.3196 1319335.5800 181283.5995 388244.5734 249796.1512 157001.2919 3154.2511 139595.3666 34217.3460 613810.9591 569378.9102 175218.9292 98453.5450 1100020.7420 32617.2072 38508.3409 414919.6648 611529.3983 553792.7256 104752.7844 504650.3615 156212.4251 202349.6168 145248.5545 35481.3794 3103.1747 2661.6585 267844.1580 1084954.0320 975089.9715 415037.9074 61664.5909 46014.0287 253424.7786 1781661.5270 141505.8499 456492.8798 25587.8058 136849.4742 634572.5301 634009.1207 309187.4162 50303.7315 2511291.9690 18588.3838 20661.2260 35768.3997 684015.3235 910149.5354 124034.9504 153830.3994 250837.1768 176113.9306 49128.5489 589277.0339 321306.5994 733376.9943 81393.0510 1366604.9660 2_3-Dihydroxy-5-methylthio-4-pentenoic acid(DMTPA) 5723003.0020 3519920.3760 5583101.8350 3652226.5250 4428698.0810 4154675.8660 4157144.0630 8111599.8040 7565392.9450 5069519.8000 4589908.5880 8706315.0600 4259304.2520 3979095.4470 4672544.7960 4478580.1060 5671170.6290 7001987.7600 5422914.5800 15492167.0500 7404148.1260 5689574.7530 4241121.9480 8110782.1280 5640190.1830 7069985.4760 12520292.5400 6385131.6770 4013282.5590 8610690.9450 9891998.2340 7255771.0190 8098731.7010 9206159.5870 5645912.8390 7875388.0120 3831933.5390 8989407.7210 9469506.3430 4567315.0140 4227534.2840 5392777.9320 6502628.9120 4959735.8490 3909151.6480 6643935.0140 4629097.4420 3651497.6880 7199530.2950 7789357.9740 3899906.5480 7207064.9050 8294056.7660 5631341.8790 4079799.8050 3727214.1150 4503964.0060 23513806.7100 11398399.4600 7883310.4810 8541138.9440 6286319.6870 7214447.0140 10008621.3200 17556246.0600 8031742.2400 9673980.4760 13122234.4300 9619410.5770 11092070.8200 6844850.7300 9062596.3410 12838698.8100 10522445.4500 7708260.6770 9430017.2630 2-Hydroxy-3-methylbutyric acid+3-Hydroxy-3-methylbutyric acid 15055.1269 17584.7331 159061.6811 42720.2191 43522.9697 8802.0171 68841.0158 8335.1719 73971.2623 207114.2780 30268.8558 138616.8863 102729.7660 26459.3292 37468.4927 53635.0360 47153.5431 54905.9506 12113.9303 40624.6058 15367.9563 23285.4051 6117.6508 25902.7139 165830.2986 125512.1253 5591.1192 88948.2590 79857.7743 72057.2391 112842.0179 46035.3503 79100.4659 383601.2225 65169.4751 8579.4093 101477.8795 395084.4256 24366.9763 46352.8764 27563.4851 78529.5309 170268.5299 7090.9936 103243.9059 127761.1078 65122.8349 235664.6622 90719.1223 178642.6915 73135.9382 266618.1514 48146.2160 86325.2251 93448.9123 180321.3223 83747.9926 67960.7654 181504.5166 64664.8113 151581.5086 106858.2037 35251.6979 266385.6231 75487.3215 10686.8232 65480.3641 88019.7464 47101.0570 57232.1376 113414.3123 167146.0052 159183.4539 43316.1260 67817.8579 205209.6548 2-Hydroxybutyric acid+3-Hydroxybutyric acid 110114735.6000 32373303.8200 64705467.8300 53663526.4400 48232044.4300 59394501.8000 112508341.9000 82859697.3400 86789936.7500 50028702.4600 55637239.7400 91793349.1500 70089526.9200 71721702.9600 67513062.9900 38646154.5900 88624093.4100 103081349.3000 62638343.3100 199083195.4000 30056615.4400 239820174.2000 33206906.4600 45863667.2900 43831949.9000 63689022.1700 44627438.5900 24011506.1800 68436873.2800 34167722.3100 43268774.8900 57776432.0600 42608675.4300 101948162.7000 41970104.5100 51932136.9900 68034045.4100 52578039.0000 82106615.6000 51648541.8700 62617589.8200 70124958.8700 61565663.1400 124861520.3000 86160073.8300 114111870.6000 46514304.2400 37036057.3700 62919891.6000 60932881.8600 59929984.8400 49699910.0900 70796148.2100 63851019.7500 74466905.6900 55629999.3400 55775876.4300 202587168.9000 64527079.0900 125176885.9000 127847538.6000 229095031.1000 168443448.7000 140150151.7000 277411643.0000 118955616.8000 232846627.6000 143076157.6000 51707637.6300 234876503.6000 87437727.6200 167305986.8000 264836742.7000 224541458.4000 91877724.2800 247190391.5000 2-Hydroxydodecanoic acid 3586150.5360 3674818.1040 1672324.9200 1856271.6480 1918304.6390 1385414.2040 1186110.5610 1853956.9460 2891444.6100 2081298.3200 1556362.8530 1072295.2240 1265535.8660 1494745.7420 1594507.3660 1429047.2130 2272735.5830 1677919.2180 1661302.4160 4622450.8630 3965719.8480 1824620.9500 1764978.3930 2040792.4060 1468742.1990 1293584.8620 1975469.0840 2519443.7370 2144184.5330 1678801.4590 1084167.4330 1394232.2020 1545035.6420 1725915.4840 1385781.6930 2294104.2460 1711463.8440 2027150.7740 4086438.7910 3408462.8660 1501568.9240 2037394.5580 2094383.4730 1345011.2300 1240601.5750 1670474.0350 2329887.2770 2142401.3620 1599275.3170 987749.4904 1235963.4660 1564103.4510 1744484.1300 1497119.9400 2319562.6850 1601717.8960 1874400.7970 4773192.9750 4308691.0470 1638927.6080 2013098.4490 1898869.3840 1434082.7140 1285902.9190 1905062.7690 2181479.3000 2399037.6890 1834556.8400 1184944.0030 1505472.3190 1408089.9510 1799449.4130 1636107.2460 2372088.0020 1810607.5510 2051883.4420 2-Hydroxyglutaric acid 72597093.8100 48901132.4800 46029663.0700 54515132.6200 42678140.6000 61446596.0000 52175500.3800 61311040.4900 57137812.3700 49203889.5100 52825557.9000 46128018.6700 64317672.3800 49303843.8300 64179118.5700 48180039.3900 53884776.8400 51391928.8000 46576913.4400 59364316.4700 51869073.8100 46388688.0500 53207896.9600 49248777.1300 48539402.6900 49140007.6800 52803264.3400 60999530.6500 47236900.5400 45625188.3200 44335057.7500 62208668.9700 45094869.3200 54024831.3500 41808479.4700 48678426.3800 43970513.5600 45090882.8300 65750044.1600 55991164.8300 49108361.1600 55396305.2900 46220769.9500 64640107.7500 51675548.2400 57388694.5900 59151013.1600 51577971.0100 56398629.3900 50326203.5000 70025271.4700 50970701.1400 61324390.5200 49958386.1300 53387235.3700 51695886.3500 45152055.7800 81892310.0700 70725043.2800 57764099.8300 63860138.8000 58455008.1200 58171914.1500 53508533.9800 62396720.2500 61047330.7500 66790934.6100 60155630.0200 50373324.7800 67169957.8300 54614461.2300 67813262.4800 52725999.2400 59219788.1400 55555091.8700 60556982.0100 2-Hydroxymyristic acid(FFA(14:0-OH) 2542246.4910 1623378.9430 1599935.7300 1582154.8260 1391464.4620 1740303.6370 1706057.9260 1529746.2070 1669114.8430 1631416.0580 2019413.0370 2463445.4840 1352575.5760 1744148.2560 1522916.9750 1222546.0470 2862481.9860 2594666.3140 1843460.9050 4777524.4220 2232418.5030 2663918.2980 1183862.8640 1451386.6330 1809252.8420 1498994.0170 1679438.9040 1105406.5970 1662756.1800 2249093.1090 2234534.8700 2008868.6720 1126585.9050 2171935.4110 1705789.8040 1782286.2900 1652081.4130 2634514.3310 2690341.5080 2293654.7100 1946155.6750 2284799.8150 1535743.0790 2054055.7460 1502715.7440 1466015.7310 1034126.6750 1580518.7400 2162934.3930 1407179.8570 1474996.5660 1559350.2630 2039406.9760 1621793.1340 1765041.1990 1556594.3780 1606431.9010 5108150.5060 2940907.6360 1666923.7740 2998089.6990 1920712.2760 2113041.2780 1954219.4490 2738385.0370 1972046.7480 2687946.9900 3684994.5120 3560182.3550 2527811.4840 1710030.7120 3332057.6210 3657172.0400 4068697.5020 3095458.3120 4061184.4190 2-Hydroxystearic acid 34042103.9200 29325615.4100 19181328.2800 24384264.1300 21046923.4500 22059613.3200 30106637.5500 20280875.3500 32799991.7100 24342746.1100 24610517.3700 29501528.5100 28559322.4900 22561375.7200 25241937.7900 22790200.1700 29054773.2200 36605430.7500 27390705.7300 37200049.7800 17738483.6400 31455613.6400 14897529.0400 14391864.0900 17093081.8800 22419669.5400 16237935.9000 15727011.4600 26814641.6100 21687523.3100 24928775.7200 25516945.4100 16351128.8900 25898621.9200 19273060.6100 14760200.3300 26743589.3800 23405094.8900 36516746.3800 28246150.3400 23493671.2200 26052607.1300 24547969.2300 29258134.3500 23526269.3400 26068479.8200 27438911.7000 31024341.4200 25857297.4600 26718889.3700 26477140.1200 17837117.8400 18836421.7500 24972899.4300 34363634.2100 31262586.3500 26535283.2900 45067829.3300 27108177.2500 21320441.5500 28080623.8100 28853190.2700 25539546.3600 24579542.0000 25310914.5200 26680325.5100 34218599.6300 34460805.0800 24201215.5900 35706599.9200 29748841.4500 29511734.6000 27999292.8000 38820359.2900 29599672.2400 37030702.4200 2-Methylcitric acid 29498299.4800 17856289.7400 21682539.7100 22321019.0900 16876441.1900 22581358.5600 23351812.7000 24264051.1500 19459899.6900 17082896.2300 23901690.4900 27985368.9300 27562216.4400 22161281.9800 23310204.4100 24327895.6900 22639681.1700 28053168.4900 26363676.5200 30193481.5400 21745836.1100 29766161.0800 31188650.2700 27771002.8800 32589416.2200 23029963.5200 29207803.0500 28453727.0900 24737347.8700 27400034.4900 31566623.3800 31547098.0800 22235256.6800 30835272.4300 26776912.1800 27521000.8500 27124875.9000 28959262.3600 24578967.3300 24688546.0200 23593115.2100 21154230.9500 19791360.2800 31034024.7500 21065050.3900 28805782.0300 22634106.1900 20060284.5200 26272793.6200 23409365.8100 27697170.2900 23404459.1700 26433487.4000 24859681.3500 22209748.6800 25347780.3200 23745902.0900 37603761.5700 27178578.6500 39705147.8100 29493494.6400 29686172.3800 38437062.8500 26462348.1800 37854720.8800 22195183.2300 29795226.5300 30595770.7900 29804448.2900 35548774.1800 33105423.5300 42699076.2000 36133083.9700 28181510.0500 31090772.1300 33196393.5400 2-O-Methylascorbic acid 36756476.2500 18152095.5100 15620565.8100 15807758.0700 16767407.5200 10542242.8600 31863556.0900 25428807.6800 21940320.9800 24043344.4100 18541220.0500 16740978.8900 22639789.6800 21364088.1600 24337846.3000 23093697.9100 21170611.2700 16623640.2600 24425148.7900 38212980.2200 17680445.2700 29559200.5200 21192763.7400 21051702.4400 12322218.8300 26875616.7300 30403561.8200 32724432.2000 26834321.5300 20934842.9600 19566336.6800 25397746.8300 19795974.8000 39317418.2600 25672176.4600 23299941.8000 25493141.4000 31258637.3600 27679283.9700 18505591.7700 24319447.7900 27955383.1200 17951016.2300 10930905.3000 29748010.3700 33972806.7200 27564765.7700 23711332.2000 21121206.3500 16527037.4700 27423804.5800 15905526.8600 25456398.6200 24555813.6500 20817239.9000 22204808.2100 25808102.2000 60530113.8900 22896123.2600 35573225.3500 30110186.3000 35818794.0000 16733416.0900 32423095.9300 51723281.6300 32756540.2300 38128248.3500 33679788.6000 29451296.4500 35190772.3200 34437189.9500 48127696.2500 43631458.2900 37558214.9200 30087046.6800 51733444.6400 2^-O-Methyluridine 4636763.1460 3217448.6500 3139175.4540 3598615.6420 3535621.4640 3216175.5760 3638739.0670 4150387.5640 3924863.4550 3990973.0580 4284591.9920 4016145.9180 2843635.4070 3623637.1890 3274361.6540 2765125.0810 3279853.3450 3551327.2040 3192484.7030 4045945.8640 3592099.7510 2921288.1270 3800066.8900 3577739.2980 3728128.3480 3739048.4210 3929385.4460 3965144.3890 3805570.3750 4193791.7550 4148724.6280 3165239.0230 3616792.6560 2991673.4050 2907331.7270 3236509.8290 3917714.2640 3488036.7010 4397469.6880 3726730.6430 2988369.2930 3453804.4920 3321629.9120 3680262.9230 3819042.3050 3946982.4010 3576209.9880 4090333.4950 3959583.8020 3666298.7970 2799133.4920 2997309.8210 2747092.3770 2607121.0990 3207919.7610 3440499.0860 2937506.7160 4476543.2370 4203426.7100 3503017.3830 3896786.9250 3395046.0150 3369790.1900 3524363.5110 4414524.5800 3558507.4740 4629697.7930 4070463.7100 4463880.3820 3629515.8370 3587569.3410 3280248.2340 2939970.4750 3220602.7140 3845130.9900 3430985.8130 3_4-Dihydroxybutyric acid 21370602.8200 17939627.3800 23201125.4600 19406993.8900 17553457.5400 17792497.2500 21662742.9900 18996567.9800 20700351.6500 19150183.6200 20705674.1400 22689122.5200 17703164.2000 19688452.2000 20404971.2600 18269258.9400 21988870.1500 22941134.9200 20686452.5200 28619858.7500 19786021.7200 19965938.1200 19889339.6800 20536775.0500 21622886.1300 21538096.1300 24491789.6900 17222155.4000 18160313.5000 20992577.1000 20108117.1800 20572967.4400 19929650.6600 19857134.5800 21497995.6700 20901181.4500 19102115.9600 25261545.2500 21805492.6500 18537841.3100 19916558.9300 19999765.1200 20559416.4600 23059937.6400 18392317.7300 22625750.3100 17634522.3800 17696695.8100 19474099.3200 18938295.6500 17809505.9300 20690087.7500 21525480.5100 18706945.5500 18885864.0200 19031659.5500 20662692.8600 26013922.9400 20937540.7800 21852985.5400 23206397.0800 20684091.0200 20457870.5900 21762849.7900 24176371.5500 18579694.3600 20569678.1300 19107461.0000 21353589.2500 21368916.2100 19135536.6200 21346001.3400 21309086.3100 21768749.5000 19537336.4400 21934955.1000 3beta-Hydroxy-5-cholenoic acid 366732.0523 466286.8797 392445.1037 301539.5878 628591.2411 370088.5185 500514.6376 425808.0404 464192.6625 223985.2416 264315.3300 413472.8567 245385.3072 445519.8940 313081.6432 458350.1906 187856.2764 481184.7444 296065.7401 443698.5661 483274.6696 257981.6902 197573.4698 641188.5075 306343.8218 475014.0936 370795.8966 411422.0370 207981.0589 319804.8746 407297.0253 328616.8442 475256.0785 319990.2289 556230.8099 280061.8903 431827.2158 398163.3837 316556.3668 544500.5530 380058.8227 342341.7670 767349.9157 295469.9685 570675.2547 420442.5492 328070.7527 216114.7311 298550.9706 410700.2644 257636.3943 449329.9419 425020.2159 451928.3711 234735.0567 420780.7249 241795.6877 531245.5059 806668.3596 430934.8116 314867.8691 713573.1699 302840.3095 551780.1976 488792.0468 313571.3494 321984.2802 388601.2124 593513.0551 416999.2079 514167.0819 415137.2346 748012.3460 320331.1629 487913.2807 310827.0234 3beta-Hydroxy-5-cholenoic acid glycine conjugate 3-O-sulfate 84922021.7500 63516582.6700 90645879.0500 58921210.4400 69664314.2500 68669551.0300 101893119.5000 86519670.2600 139287856.8000 61180416.5700 79383361.3400 124004107.1000 65988739.9100 143934339.7000 77050927.3600 70709462.8200 38460840.9700 95536484.0300 58895854.9700 144487532.6000 93838619.1000 83214616.1700 53660809.1500 76162717.1600 61953573.5400 119073887.3000 79466618.2900 147156134.4000 67107318.4000 107856735.8000 118826024.7000 65968216.7600 187703666.0000 73143729.7700 52212511.9100 30615361.4900 94618656.3900 67963842.2800 99251515.6900 77433420.3100 89624618.2300 63925151.7700 80743735.4300 75980097.6100 123894216.6000 74041209.1500 126745387.6000 58663099.2100 104153745.6000 106645704.7000 58700839.7700 192882666.6000 79517249.0400 56342818.4200 32426994.5900 81371166.9800 59229959.1100 159365601.0000 103365857.3000 106561729.9000 89278711.0500 91619526.6700 85979838.4600 121594393.6000 88527386.5600 131541178.2000 77176863.3000 118142355.9000 143772129.3000 89941357.3600 164236503.2000 70313175.2600 64911016.1100 32767337.9700 111431733.1000 81575600.7100 3beta-Hydroxy-5-cholenoic acid taurine conjugate 3-O-sulfate 10965673.8700 12592493.9100 14814965.0800 3965536.8540 8273080.2350 8548463.1360 11581431.6100 4860923.0570 6964668.4970 2789051.0320 2143869.1480 8187327.0710 6374587.0170 15026877.7400 7616674.2620 4033833.9420 7978753.2440 14701000.9800 9252057.9000 28654750.3500 14963979.1300 30067676.6200 7412677.0280 12788387.0500 11302529.3600 17620725.3700 19560103.8800 13680042.8000 9513620.6770 5371869.5790 9608308.0870 9619104.0540 19657895.3700 14256173.4200 11147861.0800 7753934.1410 12962212.8400 14435893.1400 14028043.9400 7367510.9760 20413692.8900 3559638.3770 11542245.7500 8017648.7140 9679693.5750 18574851.0800 8083588.6190 4413014.0330 3566702.8210 5701797.1840 7188145.8050 12007143.4800 8566479.5070 12277068.4000 9553050.8650 8164170.6000 12991807.1700 32021387.5300 11254749.6000 29479221.5900 8612427.4580 16317952.1100 13726442.5200 11511941.9200 20885568.8800 9704462.6190 7954604.3320 5641399.5850 10719367.9100 10162725.0000 18203033.6900 14106200.7800 13935594.3100 11619813.5600 13079072.5100 19373995.9100 3beta-Hydroxy-5-cholestenoic acid 21493099.9500 14734993.9000 16850035.4900 10387680.9800 11705238.2800 15699559.6900 14212509.3400 18501366.2700 19266810.8600 9522860.3490 15184961.7800 20421601.4500 16464783.0600 28140743.6900 14487634.5300 13683692.2200 10780517.7400 21834139.2900 13162641.5600 33502974.5000 19283757.0400 19063857.4200 9273504.6530 14434859.4800 15536359.9900 16103714.1300 20941672.4300 19968527.6500 11470454.9200 19587088.8800 23325653.8500 18071962.1800 34742677.3500 16653618.2600 18943499.0900 12179992.9500 23097449.3100 15219231.8100 21115707.0300 16422412.3200 14362795.4800 9097315.5890 13698775.5000 16288119.5900 12603978.8300 19498138.1100 16337954.4100 10169591.5400 16316298.8400 16454716.9300 15271013.4200 27494192.8700 14397767.4400 16316441.8000 9762764.1790 18953782.4600 12544912.1800 38935236.2700 28629575.7400 23200507.3100 15114622.9400 21164492.9800 21958572.4700 21000076.0000 31610473.7600 21941400.9900 17784902.8400 27867730.3200 28735918.9300 25237256.2500 43154494.5700 22077213.4600 28010542.0300 18131981.6900 27561916.3400 19224201.0400 3b-Hydroxy-5-cholenoic acid glycine conjugate 2534637.9190 2284610.0450 2435473.7780 3419242.8380 2143978.4360 1856221.1570 1775643.8940 3176311.0620 5071021.3320 2058173.1350 3002968.7960 3758433.5690 3031244.1250 3376360.8570 1989546.1690 2288452.4340 1575337.9230 5118184.9420 2371638.0550 3246464.4530 3313229.8530 1650893.3570 2720356.5240 2529438.2380 1790066.8790 1896488.9520 2090219.3110 4460387.8030 1610210.6890 3549787.3100 3360147.7400 2733505.6720 4050722.6360 1880677.0180 1972858.8340 1338343.0580 4846333.4200 2921406.2360 3077648.0510 3017232.7080 2253682.2820 3617334.3950 2619022.4750 2089831.0500 2023513.4640 2042444.4170 3847804.0880 1964138.7800 3062535.1650 2757939.8120 2658510.2980 3767209.8050 2400549.4620 2095591.6250 1151844.2020 4513822.2280 2416728.3130 3411968.8850 3655097.4250 1944075.4220 3173494.0710 2558740.2390 1949291.2700 2066269.0390 2317350.0380 3634318.6380 1870859.3420 3383220.9960 3351809.6070 3163472.4940 3464949.7210 1806642.1610 2254093.2650 1178931.5920 5250525.5110 2202202.7690 3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid 159003218.4000 89762927.9500 255350991.5000 100151144.8000 79063094.2200 100455109.8000 60457858.7700 184762722.7000 159396667.3000 169427003.8000 79796542.0600 229322458.2000 170781090.8000 135839632.3000 191111405.4000 105197741.7000 97406576.3300 153766692.8000 116064119.2000 213840109.6000 90465161.2600 242303575.8000 96590233.5400 80576557.5000 110325652.5000 75126139.4700 185308747.8000 165857729.7000 176763462.4000 96055547.6000 220852112.3000 186469632.5000 179884220.8000 230835557.1000 113654931.5000 85322101.2700 165379750.9000 149411125.5000 179975373.9000 76072505.4300 219860516.1000 114035402.0000 74793814.4100 108898059.5000 68078664.5800 160170103.4000 142123693.3000 176257036.3000 93183318.8000 194056068.6000 159852959.5000 181140436.5000 215473302.1000 115801822.9000 76765763.9600 153760795.0000 133583810.2000 205581306.0000 94872661.3700 235752136.8000 116277162.5000 68431782.7300 110460486.8000 79396213.4700 203296239.8000 134006161.4000 212386578.6000 104582287.1000 221272203.9000 214099923.1000 162377090.2000 194247375.1000 133697787.5000 86865229.7100 183000290.9000 145327251.0000 3-Epideoxycholic acidacid 798866.0239 4181230.6780 3029416.9240 2703936.4450 10196926.3600 5204673.4190 9418996.7300 4090626.5150 11101174.0200 157279.2435 11791275.9600 4213467.0320 5289605.3450 2156442.5090 8091762.9360 3444528.5960 667776.2907 2900619.6370 1154517.2020 1061711.1140 2536934.4370 1182662.3400 1526185.8430 4419818.8110 2017632.3050 3583815.7500 1908586.1320 3777109.4540 78459.7748 8166913.2780 2258031.9980 11195191.2700 1847360.3900 2534935.6370 5566960.1190 1497258.6210 2731239.6980 1988450.2710 374925.3589 4929985.1580 3819822.8560 3646318.7200 11477997.5800 3938043.4190 2242409.8460 3158635.1230 4832855.8780 51913.4782 8641915.0470 2075914.5850 9013425.9400 3191750.6510 4913898.9890 4441036.5330 739284.7706 2852093.2420 630297.9231 1336449.6210 4273801.6170 3987458.2820 2461533.5480 5173058.1770 3065674.3620 2355680.9490 3682231.3660 3716269.7720 106354.5423 7622390.6960 2204067.1490 11312949.4900 1978095.9420 3293707.3040 7948243.1320 1626722.7460 2000060.2630 1189510.1960 3-Hydroxycapric acid(FFA(10:0-OH) 6200221.0970 9755519.8960 6793503.1070 5387919.6450 3345781.0410 5795904.4340 4593601.4100 9721551.9350 3733493.8960 9340919.9390 7197818.2510 7289956.7920 3813697.5370 5349603.8310 8359300.2670 4915227.0560 7431436.7960 25343182.0100 7703237.4630 5869246.7830 4959669.9550 5724454.2610 2702398.1340 4235131.0540 3873514.5780 4644825.1230 4768339.6870 4404390.7760 3983126.8120 3996153.0310 6120536.3640 4908843.2690 2954676.6340 3992626.5590 2630934.8030 2676679.8190 3470959.8060 4543741.4870 3323280.8460 6891491.9120 5942040.9560 6697558.9870 6121762.3350 6294601.2960 4831646.9280 3352436.8750 2618483.0560 5829276.4400 8470577.1920 7580203.6550 3232217.7890 4994715.1710 3559524.6100 2788674.3380 3495333.5250 3859481.3140 3850467.5120 6176917.5820 5609660.4200 5543138.1960 12441251.2900 6461997.8160 6958185.1420 6891796.8700 8264774.2700 4533363.7860 8205923.9690 10285356.6600 6554035.5890 5506761.1190 3771661.3780 5418120.2770 4428158.6650 7247136.6110 5682943.0790 7016427.5960 3-Hydroxydodecanoic acid 1679140.7470 1495368.3670 1100006.2890 816027.2404 704098.2005 655617.2168 680259.4284 1039591.6390 1425287.8970 1064157.8970 803185.0997 882187.3003 771182.2036 674906.2758 838161.3866 647795.0617 1299929.4880 2903156.4220 934284.7114 2119963.2400 1455871.2000 1185412.7890 614212.9872 810358.5477 761810.0856 640874.5420 1028883.1750 1227525.7670 862365.3772 844484.5005 849404.0260 850493.3609 676804.7266 863226.5936 659378.5342 1006938.5330 758342.2228 974119.4373 1653225.7880 1503096.7010 931744.1229 880237.5885 789219.5845 852407.7036 646328.2593 793951.2303 1197086.9310 885132.3411 972084.0157 768964.9397 716913.1048 827749.5504 893431.6191 701932.4570 1014825.3250 685460.4333 821814.8542 2293189.1860 1779695.4250 1145308.9200 1203328.1180 1009727.0250 989171.8229 923667.0430 1266941.7240 1189020.3050 1148147.2990 1439489.4810 1003373.1150 1160091.2600 494572.3184 932240.2163 1060464.2380 1343106.7050 924614.7323 1213970.6080 3-Hydroxyhexadecanoic acid 126083331.3000 109971388.9000 77290035.8900 88941950.7500 71906312.8400 77584165.4500 99209456.2700 82207611.6700 124998936.8000 101284017.0000 88671771.0700 116581233.6000 90833535.9000 95326509.2700 74508728.1200 70006477.0100 128718908.6000 117428615.2000 102135859.2000 158465233.9000 88559333.3700 112241346.8000 59234615.1800 66715168.4000 75485551.9200 92943868.5200 70733019.6200 80832203.9800 90980136.8600 89084082.1100 91740894.8800 100031895.9000 70398616.3500 88681384.8900 78778696.3400 80033622.1900 107294323.2000 104700585.5000 123132911.8000 111963992.6000 82483741.4300 104392767.7000 84774097.9500 93025693.1200 84018248.5200 81441504.3200 102190005.4000 103313482.0000 101598618.6000 93381779.9100 95706082.7600 84991357.2000 78246038.6900 86287924.8100 111002091.7000 100138512.0000 92887771.0300 177840565.1000 125815600.9000 71245742.5100 125437449.7000 109901605.7000 99114783.7500 107366052.5000 114850345.4000 120275499.1000 135968325.5000 137361758.3000 118915039.0000 134152352.1000 106212792.4000 111488376.2000 133921564.3000 177007353.1000 115473303.7000 143957812.9000 3-Hydroxyhexanoic acid 6977766.4510 4115960.6850 5355191.3760 5349694.5360 4063045.5360 4937381.1080 5564699.0210 7929830.3300 6753335.2670 4808430.2190 6551715.0870 4839705.6370 7502992.2420 6023357.1980 7505959.3410 5459255.6710 7726821.5030 9764867.9080 4805668.6190 6491654.7300 4094968.1700 5401081.5710 5045084.0520 3594074.5180 4513541.5220 4046440.2730 5639730.2660 3861880.2440 5009088.4020 5523899.3820 4081969.6550 7195559.3210 4863675.9400 6986855.7280 5846550.0300 6680680.6050 5565083.6680 4319780.6150 6138788.2290 4806387.3360 5703352.9920 5491819.8230 4704648.2000 6319935.4500 5264776.6450 8167186.1600 5281620.7920 4300414.6440 7985909.9940 4743190.1840 7148783.6190 5783968.0940 7925676.4350 7072440.8190 8005012.8400 6762478.5870 4859319.7020 11328473.7700 6375008.2760 8705263.6770 6996415.4190 5372288.9640 6297035.2670 5302232.3050 8559035.4970 5762816.2720 6070552.4280 7401111.7500 6224590.0480 10572231.7400 6158860.5430 8473854.0750 8252576.9860 8016590.4870 7075223.5340 7813935.5480 3-Hydroxyhippuric acid 269438.2925 51475.4473 311672.8627 137319.4833 137703.2900 227208.1833 60692.0293 334419.2659 136601.1159 231095.8788 128316.7371 353888.0398 144239.4664 288173.2740 250885.2923 298610.7738 350497.0828 364214.0281 328566.5719 482630.9377 302011.4671 181497.1119 265131.1112 251411.3226 274989.5973 209483.9518 315109.5969 213730.4467 9609.2525 322967.2647 406786.5988 348410.1734 378970.7939 305162.8160 10434.0244 300158.8429 202809.8483 537281.7334 311972.4920 171725.9969 172282.6679 283034.8005 233270.6526 223927.3911 167152.4515 236814.1732 66657.4828 254887.4562 257246.5045 252643.3829 100834.6875 370839.8201 266839.3667 269613.5416 208758.2712 162696.3023 304395.5265 713820.0753 428807.8144 449879.8599 519646.9361 188129.6110 437258.0742 202785.2361 493099.5563 183357.5991 563501.9131 383527.1830 595722.8874 373718.8526 495321.2331 355905.3246 588385.9943 442029.6622 416991.6725 753972.7052 3-Hydroxymethylglutaric acid 72200945.9300 71417882.8800 95574848.2800 77811820.5500 65296544.5400 70185648.3400 88869156.2700 65926573.4600 71750435.0600 74840678.8600 76647258.1400 74715261.2100 67999372.5000 65570296.2800 86711627.4900 77025921.1000 91214600.0300 100586501.9000 73833476.3300 87878852.2500 67183043.9000 68629341.7800 70490828.9600 80392283.0500 80461629.7800 72408099.3600 82755479.8600 55357147.5500 76400882.5100 77021744.1000 74350797.0400 72483409.8100 73304776.0400 69480870.9500 86140334.0000 72858267.5600 76756828.6700 82326255.0800 76271186.1500 72239375.9400 74858757.8100 68128628.1400 80896433.3300 90358371.0500 56018136.7600 83462789.4000 69198852.2900 72311923.6100 64434629.9100 61010477.5900 58615050.3700 75785169.7100 76230675.9000 73103382.3600 65910852.4500 77020603.9900 70647583.8100 83413681.6300 73003662.1700 78637364.2300 72379159.4700 63360102.2100 67576052.0600 64210049.8200 73381688.3700 75580013.2100 77714140.1400 70670467.5700 68349482.4800 76191134.7100 68310983.3900 80332318.1800 73165205.7200 77340509.9600 64939921.9200 76770054.5200 3-Hydroxymyristic acid(FFA(14:0-OH) 5494566.9220 4517064.3530 3225716.5220 2066661.6330 2058786.4650 2256980.0610 2870682.4110 2068108.0720 3621927.4670 2081643.5030 2572767.6760 4341218.5640 2800773.0380 2207686.9290 2425247.4020 1662151.7000 2717196.0420 4734031.2610 2411799.5000 6470912.2530 2087962.0420 8004371.0680 1401071.3350 2051287.5970 2139305.5150 2001305.3560 2129202.7410 1451710.9650 3011254.9880 1818945.5910 2276348.5240 2257598.9570 1746018.2780 3295426.5040 1937084.3260 1808970.8230 3233305.1910 2160770.8680 4998927.9930 3705398.7520 1862803.4730 2699202.9460 2378229.8360 3496297.9540 2212508.4720 2603810.8000 1815657.0920 2522523.2660 2248986.6280 2312155.8480 3557645.8950 2416439.7240 2804483.4120 2603530.6550 3291735.5170 2927184.4000 2226233.1530 10661264.7100 5874415.8530 4159382.7460 4856175.7640 6445808.4370 4456803.0280 3512537.4200 6884623.2770 3607002.9450 5620762.2910 5740179.9230 3480502.9050 7584137.6740 3269029.7610 5102465.8540 7643933.1010 5875356.0970 3340880.3040 5917124.1660 3-Hydroxyoctanoic acid(FFA(8:0-OH) 1538523.1910 946794.8133 1586963.9180 853717.0661 854576.2779 1027025.8500 588369.2170 2194353.3720 745677.7059 1463824.8260 1007171.4590 1864952.4670 544157.9835 649144.5110 1220503.1470 784825.7208 1187612.8640 1588561.0670 2717550.1570 1111022.6780 811930.8979 835550.9397 552892.1979 1850112.2250 996196.6271 787940.2927 1835827.4050 1321956.4680 970761.8968 1258263.1210 1624010.3470 722689.0321 770935.6082 921876.9395 568102.2242 402821.1328 900706.4420 1369788.3210 656751.8524 878240.1758 1052160.6720 671820.7014 816501.5165 836599.4112 685397.0445 1406532.1990 1126875.7010 955635.1121 1846255.3700 1472737.3470 498064.0165 812380.2158 740304.3756 317624.2485 623813.9974 737531.3176 1217172.9150 1181227.0760 1051121.9450 1296935.3160 955813.3198 1288090.6020 1043027.8360 795880.8617 1808745.8400 1100046.1790 1239265.5300 1520526.2370 1868240.6410 745506.1057 992743.5503 1042503.2160 705753.4989 800172.8582 1027093.7640 1271903.8560 3-Hydroxypyridine sulfate 25121.9531 437905.4569 336228.2175 0.9991 21003.3476 36569.2316 0.9956 252788.1642 61746.4571 48923.6624 53324.0737 469226.0810 131809.0936 349253.6165 217170.5322 66218.4585 83075.3133 300864.0758 156251.0648 94945.2177 507783.2882 62118.1032 89876.5980 286933.1221 225939.0894 174717.5463 218927.9070 434696.6469 39744.9872 181725.1612 258581.3613 363646.2631 510113.6223 82188.9840 24567.9446 46362.1979 1.0000 108843.7567 91243.0698 389970.8473 1052319.5650 337919.6313 622628.3911 233960.6847 22188.9882 24191.9479 26090.9444 55593.6717 251885.3979 204386.9962 269713.4255 519402.8457 426395.1273 23096.6005 1.0203 27749.0313 0.9916 102802.4592 547281.4342 608631.1776 408255.5010 219936.8919 127888.1999 0.9822 0.9580 1.0141 215115.3947 192430.5267 300326.7645 301817.8219 26025.6817 277185.2621 30548.3843 0.9733 218675.0269 104595.5622 3-Hydroxystearic acid 13692897.0200 12528410.6000 6986031.3210 5512122.9750 6902618.0690 5116249.8140 7898804.1660 6252997.6350 11387978.5300 6104969.9520 5558720.9700 11015656.0200 7195208.6080 7989814.8270 9199896.8590 5529579.2650 6806420.5140 13165427.5400 8518339.1560 17845085.7900 6621325.2230 15161400.7400 3908164.7620 6035539.6540 6827496.5890 8341274.1310 4327744.4220 2758566.4760 7413161.3960 5421393.5580 7515319.9810 7390955.2490 5898802.2130 11633081.4600 7134190.1910 6551494.0300 8761063.7680 6202279.2910 11400426.6100 9876808.8940 6950255.8410 7265592.2230 6785421.5810 7179778.0810 7512336.0880 6312490.6260 4051991.2490 5716787.1180 6737304.4330 7328207.6300 7406320.4160 6506758.3670 6716645.8060 6790391.0170 12767630.5600 7797986.0510 5835201.4930 29299790.7300 22691477.3500 11672765.5700 16652712.9600 12987800.4000 12973770.3100 11921524.6100 16482657.4700 10666715.8500 17774361.9700 18999983.8000 10268611.5300 28677580.3900 12514306.3100 29793723.6000 21523642.7400 26919574.4000 12109770.8400 17062579.7000 3-Methyl-2-oxovaleric acid 149335697.8000 140623484.1000 149581653.4000 151140690.1000 139909323.4000 162335672.8000 193330769.8000 196825169.0000 157814987.5000 115325575.7000 172216176.4000 168273064.5000 192703874.0000 140131702.3000 160307923.3000 157119480.9000 182556198.8000 190846457.1000 124585757.9000 196531126.7000 125922737.6000 109262790.5000 130976126.2000 113170403.6000 133191516.8000 150676916.7000 129086862.3000 66468720.5700 129719940.7000 132299227.8000 111995408.1000 149824984.7000 110688767.9000 117654882.3000 122284132.0000 158067518.2000 171874009.4000 109618638.3000 155778731.1000 106715807.3000 142079299.6000 133113480.3000 122073590.0000 188757236.6000 158908517.3000 198650805.0000 104430123.5000 126250393.2000 142249533.8000 146751844.1000 152117483.1000 123593887.3000 137419832.9000 179845840.2000 163585408.3000 145984288.9000 143306339.4000 141879218.6000 131386879.4000 127863214.0000 134773987.2000 133346415.1000 114776556.2000 116134045.4000 133252720.4000 92504249.6100 111510846.5000 98083323.9000 117355890.3000 172870451.9000 96866311.9200 109083782.7000 130763815.0000 117501097.3000 112661793.7000 135504465.6000 3-Methylglutaconic acid 18493806.4800 17923030.1100 25669785.6500 21718854.6400 18944917.0100 18907370.9000 24058992.0700 17656227.2500 20308709.6200 20358000.2700 21146984.0100 20026520.1900 18632174.3100 19134207.0100 23913166.2800 20834391.5100 22784224.8400 26463701.8700 20472917.7700 23187804.6300 19175414.4300 19308103.4700 19390821.2400 22651099.1100 22530423.1500 20574064.9800 22556216.5400 15131675.8800 18685008.0000 19260912.1600 19979100.0400 20215812.8600 20545474.4000 19279085.6200 23518461.6300 19179683.7700 20188574.5600 22077103.5400 21222587.4200 19715090.7600 19820903.3300 18770135.9200 21382155.0300 22417936.7700 17739803.9700 21094244.1600 18485723.9600 19444816.2500 17128862.9100 18238577.7500 16542090.8700 20817885.9800 21867748.3200 19793366.3800 18492924.7000 20963019.5500 20028485.9600 22009374.7200 21229474.8900 21103656.9500 20583200.4800 17789927.2600 18824447.4000 19378252.0500 20305938.2000 20372873.3100 19852434.8300 17801249.3300 18138279.5200 19185370.3600 19425430.3200 21620543.0700 19424826.2400 20224152.1500 16274864.6100 19840880.4400 3-Oxotetradecanoic acid 1289361.4950 906246.3671 647932.2521 370746.6503 417790.4097 289962.7967 378643.7635 415015.4608 809236.9266 762192.1147 434879.0284 813846.8287 534574.3721 889763.5441 789950.5728 415845.3870 768091.0721 905336.2920 727629.0737 1613470.3890 880549.0346 792312.5557 315487.0198 524119.6994 455599.6524 578317.9912 361647.3324 764085.5611 489938.2719 611512.4877 775859.5526 631254.9200 603070.5031 499223.8350 448344.7755 901868.7857 598116.7815 781403.9492 1786982.9640 813021.8959 360749.8791 471376.1698 526966.5844 301974.7766 296344.3323 399036.6296 715151.2255 714022.4799 477089.0816 670469.8871 538512.2844 771830.2660 475529.8056 445505.1423 734329.9913 661794.0779 611576.1344 1432742.0760 1000574.2610 643018.4867 572843.9088 447048.2167 492269.5863 498449.7022 488260.5793 577899.4340 560077.0181 483612.9132 847032.4089 860562.4294 456108.3284 560021.0459 507578.3499 776784.0836 660550.7897 554347.6325 (4E_15E)-Bilirubin IXa 11943030.9600 30819106.0400 7850214.4810 1791806.4780 1145392.3010 5097269.2520 1675513.8720 1899465.2950 13078845.4600 2749659.0600 1765539.7960 5664142.5500 14629445.8200 4725595.1660 1740518.8850 1482627.4480 12150573.3200 7656114.6610 7825324.4330 28466223.4200 23339962.8900 2630097.4740 781404.0115 389747.4214 1980838.1240 1218949.1510 2463431.9950 12617828.4600 2716282.5780 3177823.9310 1699352.3910 16645560.6600 1349293.5040 915311.3539 1614977.0140 4679487.2930 7815323.5550 23867819.8000 19397742.3100 10545177.1000 4093469.0710 2108535.9290 1119432.1630 2709394.8190 1546531.6600 4645104.8970 7729428.5080 3702283.6410 2114543.2930 2475803.9430 21805906.1300 1537641.2350 2195644.0540 2504330.5230 6377497.1950 6001397.0100 19610350.1700 33681320.4500 19748481.2100 5088822.9160 2225713.2720 830452.6778 2903208.6860 2147810.4200 5229919.1120 12009590.0400 5715117.2800 4473139.3080 3676576.8140 32038801.5100 1949701.0110 2156442.0350 4149893.1100 8393538.9020 13190664.3600 29676185.8600 (4E_15Z)-Bilirubin IXa 12853756.1900 34217364.8000 9624230.8720 2458292.1960 1627104.2450 6211295.9590 1980051.9110 2646991.8820 16199949.7400 3335448.2910 2498784.2690 7705142.8750 15428810.4100 5864163.3570 2331686.8570 1820177.1600 14382067.8600 8936654.3000 9277628.8550 34061877.4200 26594594.5200 3254349.2100 986196.0360 513745.1368 2373240.2890 1750989.2510 3223634.8760 15050072.5300 3210905.0150 4069034.8290 2179214.6170 19848421.3000 1985089.1700 1436715.7330 1819423.6650 5939869.5690 8944383.6340 28088168.9800 22534645.2700 11632802.4400 4627482.0930 2864656.1960 1666343.7560 3021331.0270 1870320.9160 5928428.6720 8707290.2440 4475885.9480 2997657.4120 3127901.1030 22053638.4800 2302203.3220 2946873.4180 3206811.0150 8078609.8830 6463568.1790 19250263.9600 39277410.0600 22563243.5700 5588557.4080 2974503.8350 55669.4142 3456537.2800 3106048.3370 6603858.5690 12226940.8000 6981757.1190 6120150.9810 4726660.4100 37253717.4200 88403.7012 2371758.7600 5393417.0010 10918397.7900 15176563.8700 32441958.4400 4-Hydroxychlorothalonil 1.0000 5493.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 5005.0000 1.0000 1.0000 1.0000 1.0000 1.0000 6193.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 3825.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 7823.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 6681.0000 1.0000 1.0000 1.0000 4856.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 6181.0000 4-Hydroxyproline 84525486.4200 85833196.6400 43368715.2200 44714786.2800 32852362.3800 55029009.6200 40757651.4000 53837016.8000 65213654.9800 132429367.0000 32448363.9500 52951103.4300 46592964.5500 34217040.8100 49093371.1900 52134809.5200 59726319.4600 47237126.3700 38425097.2000 85540083.8000 65646775.6300 37435132.5800 43090447.5700 52481346.6200 47996260.0500 66657708.4600 64222113.1200 29569912.5000 38001428.4100 63159658.8900 54149881.2000 40914215.2300 61210545.4500 67136869.9800 46531858.9600 42583573.2300 48385812.1000 35285915.5700 45861477.8000 36073648.6200 74866664.8800 138508398.8000 77924494.0300 42251618.4900 53786105.5400 41663661.2600 32778805.9900 31819474.0100 27989763.7800 46524107.7500 64269874.8300 40577469.0600 61923117.8700 36512389.7700 54351696.3400 59182492.2200 37496165.0800 69847234.7300 49455343.2600 49047534.0700 45057563.2600 49406813.7800 35356931.8000 45982467.6500 57378349.3000 61891271.9400 38659057.9300 59076309.8500 49552337.7500 52417525.3500 39255848.2100 38454145.5000 41604665.7100 49187581.8700 53088908.1400 42315894.7100 4-Methylcatechol 1-sulfate 1387458.6760 4201725.4790 1400222.4550 10220510.1800 5171352.1210 9849419.8770 866959.9553 18895894.2600 903581.9091 11006783.0500 8215438.1690 7059028.4330 4391913.3740 14069170.1000 8672186.1920 4531232.4720 715157.5277 1015601.7780 2052444.6340 2644521.6490 972294.7570 7357291.9400 3951631.6200 13287592.9800 2978287.5080 810652.6448 2644287.3300 1857999.8220 4704353.5070 2169217.5990 1940922.9800 1689634.9150 2183359.7980 13596648.2500 2191464.1220 809578.7994 2020912.9980 3335138.3950 4463219.0220 898194.3140 18375624.8300 7162637.6930 29843268.2400 5911542.0830 780982.4548 4966694.2530 1547047.8080 5197744.6870 3495581.9410 2332927.4430 2781559.3890 4097026.0630 21077954.1200 5408852.0190 1077676.3780 3123846.8780 3863818.2750 3976269.9810 1087447.8380 14802570.1200 8052760.4140 30198246.5300 5576511.7870 550723.4869 4341662.0190 1397858.7500 6783684.2680 3167859.9190 3094582.6190 3064626.9680 3361552.8990 26572187.6500 3677578.6820 1069358.3320 2929167.1940 5248377.9400 4-Methylcatechol 2-sulfate 14606782.0600 19214814.2900 17796249.5700 31566498.4500 35771067.5100 141323466.5000 170699441.7000 47252981.8600 19922997.8200 19927152.5800 60645700.1300 8575059.1260 210250324.3000 80832583.7000 63817306.4800 41800306.7400 26697059.0200 24669637.4700 65747942.4300 1569364.7900 27681064.9900 15271656.9100 10502783.4400 30902008.3700 32465273.9800 9126967.4440 9352844.6080 31499035.6400 4921471.0010 34655245.1100 3711691.9980 12561464.0300 27776329.3500 9780855.1380 14135039.3500 29525774.9400 13550424.6300 5834689.8970 4067188.5450 65205175.6800 23040991.5100 14488655.6500 52378861.9300 42794690.4700 10354449.3500 10931991.6100 53026868.1800 13011247.0400 57754263.8600 2298235.5940 38034339.3100 25154538.9300 16920395.5000 11074110.0000 33940114.3900 17106644.9900 11124410.3400 3030557.0210 46547615.5300 30290348.9900 14196748.1800 70760439.4800 44473886.1800 8795154.4780 10421360.2200 43744382.8700 8983667.8440 54065376.1200 8661180.3530 25343028.5100 54430349.7000 22207593.6600 9106310.2390 28768458.5100 11394519.0700 9532952.8370 4-Vinylphenol sulfate 37304.6117 3072.8757 108769.1795 3321.3791 6211.7048 93825.5403 20824.7210 25242.4251 37207.2028 1896.7156 3380.2958 80216.6570 3301.0685 2822.7269 24445.5645 34215.5783 55205.9704 1779.5808 46460.0936 26233.2204 32790.4992 83436.6216 20090.0811 3048.9987 66099.1724 23256.9551 1533.3999 1935.1095 3312.6742 62951.8574 51944.6377 50475.1067 2317.8728 52094.5381 16340.6376 49443.0679 2600.0682 48840.9237 22426.1689 16653.2541 65980.0730 40600.3907 42025.5020 3627.2810 6959.9568 16746.1466 32483.3007 2801.7061 41961.0168 5188.0425 26392.5500 18134.7365 1951.9478 5045.9937 45738.0765 3458.9114 36276.7181 2838.4877 46939.7728 83150.3622 33523.5599 23907.9337 56961.4801 19994.6867 25499.7064 4798.8560 13515.8877 47446.2318 40583.5724 41203.6842 11793.6941 43714.6963 27874.4639 36848.6096 14182.5251 2953.9697 5_6-Dihydrouridine 2018881.6860 1088560.6910 1858807.4410 1118317.4710 1268257.2040 1545962.8250 1128777.8210 1748894.1200 2234049.7490 1615816.1420 1424685.5140 3248459.1250 1393139.1890 909807.9638 1508756.2440 1286945.9950 1772852.9380 1992328.1600 1271067.4060 3989956.1120 1826326.5840 1309687.4100 1368253.7430 2635558.6540 1729313.1820 1944082.9860 2874512.2090 2399100.7900 1472389.3280 2964533.9480 3254293.8520 2343019.6060 2177926.1600 3256907.3460 1402488.3040 1888474.2790 1127618.7190 2633882.4990 3030022.8480 1129037.3990 875353.7504 1894016.4560 2232512.5430 1418761.2910 850514.6321 1283384.8880 1653635.8130 1062189.2210 2452279.7430 2994252.9150 1571331.5120 1987726.1970 2551510.7320 1357518.3420 1129907.4370 1166430.9920 1325541.4860 4238471.8260 2083029.5170 1143312.9320 2264336.3500 1199962.0020 1809185.4080 1897031.0510 3009430.8740 1890082.7820 2458257.3750 2976382.6960 2370459.3920 2613444.8650 1392846.3380 2231444.9960 2690128.3030 2236238.5900 1839649.5570 1630720.6280 5alpha-Pregnan-3beta_20alpha-diol disulfate 290586.3089 252050.7443 1834433.7480 724456.6972 450738.7701 3714.8385 1288981.0820 1052074.1380 295816.5420 1079053.5090 946643.1887 886871.5238 367573.9415 242182.0018 570869.4031 356616.1675 519081.5346 277250.8515 239498.9277 450824.7101 314656.6741 1677461.6100 741387.7514 613949.0980 357551.6967 1157662.4460 1248913.3390 336462.0899 1292193.5900 1288980.5440 758257.0139 376112.6997 301289.7429 2893.3745 348471.8149 438900.3603 266315.9208 228700.9118 257322.9796 211451.1544 1676597.4800 657561.0855 724649.4741 394859.3840 1150016.3090 1451913.1030 227130.2107 1142578.0220 1307618.4970 702680.4563 375870.3960 261695.4638 574672.9942 401912.1897 504952.6185 243738.5431 265839.9826 486987.4802 346554.8280 2145296.8420 951020.4104 862840.4465 439580.0138 1165080.9970 1562886.0160 348512.4764 1469537.8750 1488777.0050 937215.9109 554722.8915 317891.2957 749461.5571 440119.0972 520054.2414 316928.2444 323677.6384 5beta-Pregnanediol sulfate 33166016.5100 29794292.9200 51385220.5400 30878993.1500 48314043.4600 30174864.2200 61231297.7000 43416289.3800 28039240.6500 40483907.9700 57855184.3600 65814212.5100 36543630.8900 50808359.9600 40270421.5700 28804142.8000 50111055.5900 17760300.5400 24367710.8200 37939772.7100 28140366.1100 65096310.0700 28075090.8100 44460806.8600 29793529.8000 46959124.7400 47058978.0500 22291480.4100 46765497.8700 49558052.2800 65138419.5100 25526499.3900 48675030.4700 32769129.0500 27815940.3400 49847711.2200 19725738.5900 23270628.5700 25151347.1900 34946010.6500 55533074.3000 25600506.0200 56175642.5700 37512165.3900 56076507.9400 61972812.5500 31755901.7000 48622499.9800 54341179.6000 59421739.6200 36730823.6400 44964474.4800 35602466.6200 37780884.5200 59791430.1300 23475750.0800 30686072.4600 38101974.3300 35857439.7300 81180745.7000 32617122.3800 71526102.3700 41283745.4700 52326830.9700 65536178.8900 29636943.4100 48821264.7800 68392635.5600 88989967.9400 39650446.7400 59836089.3100 58468590.3700 38286845.9000 61512796.8700 21930523.1400 31964655.4200 5-HETE 2662903.2030 1491930.3830 1163254.6640 675915.6931 825894.3855 1035158.7650 918927.3556 1062213.6740 1123571.3440 650410.5609 729330.9977 1858808.5170 1427468.5990 954913.6359 1334597.4200 478544.1670 1302027.3340 1456158.5420 746877.6316 3895649.6970 472347.8137 2629203.9080 267715.8827 790008.2654 710435.7444 527747.7695 500161.7120 285938.5725 615646.0362 412246.5764 654384.2179 843988.6170 461147.3612 1958981.4540 527545.9265 606347.1422 1184711.0830 555310.7917 2504451.8070 911165.9982 447611.8640 866497.3840 970893.7796 1415277.5450 665904.0210 1069835.6320 579623.6279 708695.9514 642025.8085 949187.1286 1753966.5080 683455.6879 1558030.9100 890467.5174 1575573.7560 1382057.1910 783724.1247 10822397.0400 3174024.1920 2431808.2060 2009858.4810 2800470.0430 2336878.4360 1282142.4010 3960380.3860 1709174.3480 2101365.1900 2273974.0740 1524180.9830 5706877.8700 1760404.5160 3519673.5000 3197409.4850 3897627.1270 1930688.8100 1851427.2100 5-Hydroxyhexadecanoic acid 390126.1653 343699.8454 364107.9516 287934.3344 402005.5303 236429.9818 179228.0375 278903.0850 598002.7550 408042.6430 251478.3891 299289.5879 317834.9469 395766.7240 232487.9129 296290.2422 518704.4696 460423.3058 235768.0785 461967.6387 307911.0342 450467.4283 123520.0687 242451.4954 422630.8798 345526.5941 286729.0446 215727.7050 304180.3591 439990.9911 385931.8219 449625.7905 276890.3123 254032.3094 215591.9807 282820.8969 271432.2682 490552.3910 504741.0198 410961.1269 250497.3454 83147.4092 360753.3442 232210.6257 299047.4069 296583.1566 237179.3387 207637.1083 265909.0286 202868.1429 313222.7060 308835.7013 486860.3963 283882.2590 413134.6425 234895.9978 310061.2913 782294.8239 447073.2554 401545.7842 543702.3345 371334.7269 286941.2296 338425.1237 346523.1316 367212.7753 474434.6054 530648.9019 510791.3744 447573.2196 337287.5797 129328.9758 325543.1320 479797.9795 368771.5980 550053.8711 5-Methyluridine 4636763.1460 3217448.6500 3139175.4540 3598615.6420 3535621.4640 3216175.5760 3638739.0670 4150387.5640 3924863.4550 3990973.0580 4284591.9920 4016145.9180 2843635.4070 3623637.1890 3274361.6540 2765125.0810 3279853.3450 3551327.2040 3192484.7030 4045945.8640 3592099.7510 2921288.1270 3800066.8900 3577739.2980 3728128.3480 3739048.4210 3929385.4460 3965144.3890 3805570.3750 4193791.7550 4148724.6280 3165239.0230 3616792.6560 2991673.4050 2907331.7270 3236509.8290 3917714.2640 3488036.7010 4397469.6880 3726730.6430 2143412.6860 3453804.4920 3321629.9120 3680262.9230 3819042.3050 3946982.4010 3576209.9880 4090333.4950 3959583.8020 3666298.7970 2799133.4920 2997309.8210 2747092.3770 2607121.0990 3207919.7610 3440499.0860 2937506.7160 4476543.2370 4203426.7100 3503017.3830 3896786.9250 3395046.0150 3369790.1900 3524363.5110 4414524.5800 3558507.4740 4629697.7930 4070463.7100 4463880.3820 3629515.8370 3587569.3410 3280248.2340 2939970.4750 3220602.7140 3845130.9900 3430985.8130 6-Oxopiperidine-2-carboxylic acid 4497894.2450 4453371.7310 4878739.2450 4532677.3830 3376834.0160 4477699.2810 5228402.2070 5564760.0590 5268507.8430 5123774.9540 5040801.4580 5522272.3600 5488142.8570 3989928.7100 4682482.0380 4320102.3750 5588362.4090 5469100.5550 5303908.2020 6204634.2940 5462361.8480 4921974.5580 5330008.5980 5555442.4480 4825293.7190 4438627.0050 5449838.6550 5668697.3320 4638852.6760 5986747.5450 5919157.6810 4835268.1640 5423720.2380 6227508.1480 4815924.0020 6250964.6990 4991672.8960 5414532.0560 5397915.4070 4520392.7620 4382442.5020 5414746.2000 5205837.3750 5287481.9050 4245582.7230 4654241.6490 5289342.4690 4609534.3040 5252429.6780 5268356.3180 5053524.5200 5630838.7060 6139564.9900 5366482.9190 4667722.8240 5104624.7960 5147269.5370 6459306.5360 5600709.5810 5177142.7020 6335590.7600 4785659.9020 5000442.8200 5432540.0270 5932937.5400 5144723.1750 6117082.4180 5870551.4530 5264639.5660 5639646.7970 5586967.1180 5004043.5190 5510580.6000 6184589.3000 5928246.4920 5551376.4900 7alpha-Hydroxy-3-oxo-4-cholestenoate 29530589.3400 15203910.7900 12277792.9700 16217475.2800 14898201.2800 21025855.6400 19037755.1900 30357428.0700 29010634.9800 21257288.4700 36863663.3600 35531078.4500 19335836.3600 20988461.2800 13372921.9400 15625961.9800 17004844.7600 25550992.2900 33151199.9800 34921038.8400 23988859.5100 16938201.2100 20520084.1200 23409762.8200 28050988.1200 28837195.3000 30214862.2900 39690008.5300 27472676.5500 29425345.9600 27181086.8400 23176694.4500 25453698.1600 21536509.2800 22626643.6400 22462889.5400 36996549.4300 46972017.7600 23850194.7400 19539480.7100 10155394.4900 16767341.6700 15937784.8900 23397023.1200 20297642.4000 19631424.2100 25873138.3100 24897824.2200 29340407.3400 17830123.7500 21077215.6400 22981709.0500 18423067.5700 22349733.7800 15209474.4300 25913501.7400 29991162.2900 54631326.7000 35794866.5700 15655081.9400 27134119.5600 23204004.0000 30722887.2700 30138788.5400 37267973.3200 27570920.6100 35363668.1800 40492365.7800 29625877.8100 33349549.4500 31782141.8500 23800287.2100 31640294.0800 25853719.3100 37789408.3700 36997588.3000 7alpha-Hydroxy-3-oxo-4-cholestenoate isomer 2379707.7720 1468104.9730 1762538.0820 1560693.8930 1323914.0030 2075152.3780 2355982.6510 4406958.9780 3448996.0400 2960103.2320 3449534.9160 4012827.2130 1921665.3750 2513679.0920 1200280.8980 1807259.1620 2492858.5210 3447017.3220 2951998.8850 4099328.1390 2830183.8330 1735643.3390 1977974.3970 2862408.7250 2686687.9860 3932914.2490 4150192.7510 4744327.6520 2617228.5400 3765358.1540 3138089.2800 2923497.7800 3489905.0700 2624210.6120 2111420.4970 3264462.6010 3607375.5750 5138617.9490 2720097.0800 2027005.6930 1186541.6180 2419548.1830 1732111.9980 2269149.8190 1602742.5320 1043635.8100 1739017.0310 2628689.6110 3579574.4790 2214129.1410 812322.0798 3278979.9680 2254672.3530 1837159.5690 1498558.3840 2597625.2410 2434784.7590 5085835.3250 3763682.1480 1451943.4900 3604575.2640 1791574.5270 2527761.3770 3957428.1440 4735550.0610 1323703.6820 4376524.7960 4985001.4620 2765121.8250 3513256.2560 2594579.1800 1805846.6180 3837449.6160 3425314.0100 4141152.6480 3461906.7700 9_10-DHOME 122992.1242 123231.4975 120839.1031 69532.6934 105181.3533 82404.7258 176594.8499 129583.9071 81779.2470 53450.1030 96741.6917 164796.5600 32452.9971 138017.5213 103520.1705 93945.7318 102953.5333 318511.8171 110581.4076 218524.6171 195262.3585 259470.6117 10295.0463 125772.2453 105441.0013 57941.5748 135439.7343 2382.2224 30987.9892 93891.1822 91700.2865 155174.6984 97851.0988 61524.4154 43312.1798 71486.8448 63475.8574 58911.1488 115346.3249 45836.5573 108755.3544 67963.2484 92346.9734 86601.4996 70200.2758 74748.5685 74418.9916 60935.4115 136510.0625 111794.2056 57486.3975 22844.6639 144889.8427 57797.1146 105154.7330 91880.1870 47697.1344 544941.4999 101194.3362 133857.2724 67574.8905 313878.9343 160225.0148 164993.4878 128730.6701 85235.1915 159912.0868 199282.4641 126914.5455 151855.4530 8844.7417 117266.2114 164884.3580 140421.5863 117746.1782 131414.4015 9-Decenoic acid(FFA(10:1n1) 7126019.4380 3082398.7790 3806832.2330 2529355.5740 2981137.5820 3927005.4200 2727481.3130 3228116.5030 4244751.1210 1892790.2310 4287961.3500 4374024.5210 6463439.1570 4209479.7310 6753015.8920 2380384.5890 2704226.2410 7140547.0430 4258105.4830 9208739.6580 1266926.0480 8236413.2380 704845.2738 3648281.6800 3877247.4140 1969844.6100 1165233.7790 869862.9199 3765003.6850 1196554.4520 2135173.3900 2740308.1030 1364724.9520 10666842.3400 2988938.1050 1386870.0990 7107446.2950 2277923.2580 4752355.4370 2134235.6090 1187612.8880 1918283.8810 3356727.6520 5912471.6670 1945505.2720 3532598.6700 3887830.4460 2724493.4040 1260674.2510 1238461.0170 9922708.6390 1368866.9460 6180233.0760 2011033.0980 3168868.2320 6173002.6900 3095539.1140 21379480.0500 5062755.2040 3593194.0440 5603524.0220 21897230.6600 9391158.4940 4268681.5380 13949953.7700 10939228.6400 8414661.2290 6929091.0920 1968760.9590 20024679.8400 5802179.7460 20480312.5300 6732357.5380 5587201.5200 5243953.6940 8910258.5820 9-HODE 274198.2097 304368.2613 98793.8258 174082.2105 114097.9391 89853.4831 87790.7505 263725.1980 230921.2309 312118.6047 195401.3811 389317.8301 101195.5334 112649.9535 39915.5504 132801.6925 126435.6622 165893.3007 142532.3437 409255.8710 250030.6261 238279.3173 167191.3829 252108.1106 118423.3390 113787.7996 150266.6138 163781.0418 168670.1717 195691.0122 213463.2426 226948.3984 155039.1788 529532.5307 187086.1922 270464.1916 324087.3737 266160.3410 268527.5057 250515.7434 139964.9728 248433.3525 168728.6334 142997.4839 82120.4017 147493.8823 165947.2447 103945.9669 208436.0246 676722.9684 67637.9033 191578.7354 149422.1156 127203.1908 318185.1933 4879.6741 100244.0362 599049.3892 461889.6622 141767.5606 490431.5131 309146.5915 188442.0136 214758.4126 284036.4896 160037.0820 2275.9508 688476.5445 317769.1741 135520.0220 279795.7826 259756.6740 452617.0939 674485.5957 400084.0160 237907.1640 Acesulfame 21311364.4100 97469.7463 1363130.4870 1283146.1680 6560193.5220 17748147.3400 26881299.8100 1.0353 15465694.7100 1178703.3180 4031142.6740 60645.7556 0.9648 27540251.2400 155036.6359 9580739.8280 1.0486 6775510.6040 37989040.4000 326184.6198 1.0952 64002701.8500 3312675.1610 7981741.2560 20906101.4700 108366859.1000 1363880.6360 24070996.2600 59302737.3800 391081.2965 3100883.1690 5368808.6480 40260.8162 32355562.0900 1180332.1100 2728640.5400 8775908.2510 1.0991 2360854.9910 0.9058 572231.3197 38947241.8500 44842473.1800 90165930.4300 35102473.1800 6162154.2590 0.9437 954919.5007 3505292.9320 640641.3234 21697968.1200 286246.6692 50111579.4500 3634137.6120 12240705.4000 0.9566 0.9654 2246097.1280 1.0511 220999831.4000 19824660.8300 26843480.6200 61402190.6700 109254248.5000 5075410.1380 50124714.2400 554941.7658 1854636.1680 770001.8127 22240809.8500 148089.5312 125060614.2000 3124781.5430 14710663.5100 1.0281 14664.0834 Acetylglycine 18305126.7900 19665502.2100 12150673.7800 12280399.6800 8921687.4460 10307108.0800 10978969.7900 10904643.9500 15131508.2400 25941986.3100 11007868.1200 12928926.8300 14852535.8500 9933602.2610 11774501.8100 10743414.3500 13567374.1500 14511479.0400 10635069.0100 16945895.0000 16821145.3900 11090624.1800 12094472.0700 11748397.1700 9837143.0750 11757594.4000 11640769.1200 12040975.9900 12436723.6300 18606420.6900 12605682.9100 10491207.7300 15323235.4400 18423283.3000 13037433.1900 12628217.7200 13028878.5600 10639928.4500 11878752.9900 9925868.9790 18616196.0100 27987678.2000 19800678.2600 10461424.0400 10720436.1300 9981434.8450 12495309.1100 9980647.5640 11330787.9500 11025818.1000 19557755.1700 10269229.6100 12737814.4600 10847039.7500 14036348.0000 19608384.9200 13055541.7700 16598772.0400 12905778.4800 12537717.6000 12650837.9300 12570693.3800 9930850.6920 10201857.0600 13086682.9000 22824824.3100 14145118.0400 17698188.3300 11294125.9500 16170585.9800 12681246.1400 11204610.9100 10589429.3300 11772744.2600 14353499.2300 11360138.3900 Allantoin 1201370.9900 309142.7794 863471.0925 508935.3656 569152.7958 717393.0971 772821.5112 626583.3057 445730.0616 572934.2816 526803.7318 711492.6948 524439.1074 561776.6444 581551.0284 415687.9901 431906.9252 358251.6665 268191.6112 1126489.9480 215326.1080 1267655.4790 877604.0385 977392.8119 660797.0110 562559.8015 1270290.0980 1278867.2920 599874.7873 767386.2587 773320.4163 818319.9450 919819.6222 1109393.7550 693126.0845 887413.7019 739770.6531 1143764.5020 481998.1585 545572.4404 1127486.7820 448148.7347 982256.5862 1036753.6300 218515.8012 780044.8610 449262.7673 459316.8791 553737.8826 656620.3041 907198.1469 583573.8720 859698.8371 628588.8487 388985.1811 666925.5044 924366.1614 833715.4410 384972.9876 1172202.8950 814861.4918 1322130.4490 1266104.3500 442923.7596 1074053.6890 624989.8254 1197182.7600 816240.3652 1106820.4580 957916.4196 1292131.8490 961535.3218 769892.9239 875756.4858 583193.1888 1209188.7500 alpha-Ketoisovaleric acid 10734679.2000 9951325.4540 9506359.1050 10183965.2800 10366225.4000 9205679.8200 12750263.9000 12927972.9500 13387053.1200 8920023.8900 10916990.1600 9926147.4530 12378894.3600 9193196.6810 11033307.8400 11026786.4400 13435925.2500 14405011.0700 10511832.4800 10326178.1400 7590216.6390 10268694.7100 10818517.8300 9253591.0420 10342019.8800 9153743.2880 9646427.4320 7465613.7410 7676710.6780 8911442.0970 8897650.0370 13048383.4500 7859486.8690 8999446.4770 8364747.4090 12519770.9800 11669415.0100 8494156.9060 11732173.1000 12766939.8100 10178621.1300 10670586.1900 9283712.6600 12354486.4000 11760844.8800 11814239.8700 8342839.6060 8558925.7990 10645387.3500 9122711.0430 13569902.8900 8771822.4700 12436256.7400 10180565.7800 12300249.4800 10317912.9800 10230683.5900 13302237.5100 10594102.3600 11230150.2700 12070690.4700 12665688.2300 10553601.3000 9704620.6750 11240154.7400 8732424.0400 9927531.7900 9217367.8320 8958948.1770 13253973.4400 8224995.9190 12103743.3600 11655755.7000 12770610.5400 10171640.0100 12129552.6800 Alpha-Linolenic acid(FFA(18:3n3) 398326960.9000 156351496.4000 100386529.4000 50055906.6400 56801215.2000 72096865.4400 110670778.5000 81411155.6900 218127299.3000 59650061.8600 78668598.4600 245282102.7000 115105057.1000 78242794.8800 108932620.8000 48366772.9400 85523078.9600 123688077.5000 215376791.5000 456136033.2000 42658425.5400 838975278.4000 33383804.1700 128730436.1000 81264096.3000 77809568.3400 62565007.7700 46272147.9000 215494980.5000 62566642.2300 174773413.6000 183277798.6000 78864255.7800 472274244.6000 138009399.2000 68909983.2700 386637178.4000 114497875.4000 121512960.8000 130632276.9000 67721068.8000 50340961.1400 114250710.0000 146385803.5000 49886062.5800 65516921.8100 121171251.0000 129804223.7000 82789446.7800 114517925.1000 210346687.3000 60130239.4300 118365458.9000 72278935.9700 102405197.9000 126133703.4000 112601978.2000 598651793.8000 147516689.8000 157011135.7000 177416695.5000 641585841.5000 202549739.7000 135843785.7000 300660664.1000 216314059.9000 249091674.5000 368021080.6000 199026152.0000 340651384.1000 220436744.3000 545958068.0000 317125536.8000 325953595.9000 223572033.2000 219639644.3000 Aminoadipic acid 30732731.4600 30337763.2500 19927816.0400 18932988.6800 12824824.8900 18157697.3700 19975737.3100 20081311.6900 21848887.7900 44311723.5800 17193243.4700 20473382.9400 24078270.7700 12317918.5400 15092052.5700 18500736.1200 19924441.2800 20895664.7500 17947602.6900 29680785.2200 29677152.0200 15899273.2200 20192581.3100 21002871.2900 17059118.8100 25618665.8800 20928359.6900 15333336.9300 20467189.3900 32185054.7400 25307682.9800 16786819.7100 27214778.2700 35951268.8400 21291487.1400 20204433.2100 19961718.0300 16426243.7900 16555783.0500 12779123.1200 32939153.0600 53664109.9200 36917370.6900 18285630.6300 21474518.0200 15259353.2800 19567172.5600 11724097.7600 15618025.4000 21169716.5800 34818393.8000 16237298.9600 21228825.1900 19965104.3700 23510079.3700 31975244.7700 18964105.7100 30372568.4700 20204619.3600 21626237.1400 21612808.6300 20706498.3100 17068363.5000 21276696.2300 23901414.3300 36211155.2100 23520796.0200 31416676.3300 23880190.9300 24902477.5200 19990959.8800 19131026.8100 20277246.4100 18282646.6800 23262112.4300 19218864.6000 Androstenediol disulfate (1) 75044801.2500 46143718.2000 142393472.3000 31115589.3800 97996884.8400 93876811.9800 142989387.9000 98372960.3000 87976012.8100 66482396.3600 129486584.1000 122016776.5000 47863628.1300 94061237.8100 115547104.9000 82719172.6100 57482516.2600 41290635.1100 69221939.8600 82062731.5200 44434400.6200 159439684.5000 31158037.3900 102912534.1000 100495536.0000 144805079.2000 97740177.4300 86136530.1200 80979566.6000 124563702.1000 108846665.4000 46194397.6100 90801010.1200 111487001.0000 93748719.3900 57627466.4900 52468404.5700 74020429.2700 69893699.6800 46186648.3200 147779493.0000 28472723.5100 107787594.0000 100165211.6000 146555968.5000 102916231.8000 91735922.5000 79319133.5400 118704243.0000 98588148.1600 47279572.0000 90558528.6800 110272232.6000 97238469.7100 63514263.0000 48982262.5200 76981502.6200 80012243.2400 46885989.7100 159216637.4000 30034497.6800 116872408.1000 100400584.5000 144861807.5000 107348853.4000 84020200.9000 78680511.9700 129033147.4000 127652593.5000 50254727.6400 101761895.6000 124416368.5000 93982951.7600 60886164.3900 46927403.4200 80795530.1400 Androstenediol disulfate (2) 24997634.7700 18988649.6700 27261836.1100 18792422.7300 23391889.6100 19224648.9500 24350212.1600 25607819.3000 30217841.5600 22454136.1700 45993561.7500 32210402.4000 20691694.6800 25599095.3700 32278429.6000 16399892.2700 24404889.1900 15631923.4900 29698349.4900 31374332.6800 19869175.6400 29275453.1200 18124486.2300 25894786.1000 19997752.9400 23751070.9200 27132079.8700 30369859.5100 29015715.0700 45345805.5600 32134600.2800 19272379.6500 28917394.0600 32014201.4700 16056285.0000 24364982.0600 19628109.4700 34151682.7800 24140595.4300 19830107.2300 27107586.1400 16966031.3000 28244006.9400 21248762.6600 25625037.5100 29292340.2900 33458847.0100 28255786.9400 43778475.1300 29211331.4300 21325461.3800 27179461.8100 32503046.3100 18581215.7600 28085074.7500 18843161.8400 32623698.2400 31686819.0400 22219948.5500 31573247.2500 19164096.7500 29903103.0900 22535558.9600 25361112.6200 31208746.2100 30681863.3200 30048868.6700 49765781.2200 39563831.2700 24955465.6400 31453395.6100 39724065.8100 18590276.9800 29331235.3900 19472030.5000 38253495.1000 Androsterone O-glucuronide 528469.9662 689643.3345 514161.9052 560914.5619 1428718.9230 506141.2894 465740.4833 672384.5475 737064.8156 696442.6799 768062.7917 899487.4089 1735407.5660 650982.3692 1143506.9910 1210786.7800 777588.3832 351184.9823 703478.8910 801737.6314 629137.5777 368879.4052 489219.6851 1049877.0640 452816.7534 435613.3708 732740.6641 695100.4130 765081.0134 717652.7402 854132.2456 1585571.7470 632462.6398 1129550.0070 1262232.0280 833748.0375 270537.6169 771801.3190 518806.6146 685968.9162 642591.4158 580592.7097 1121099.8330 472215.7989 616891.6137 1017572.3900 956659.4331 874941.6475 648187.9524 854872.6779 1583735.5500 579322.7118 1230593.5090 1410205.2510 853754.6325 353696.0461 727626.4439 745825.1046 820646.9092 597885.7775 632122.7385 1133651.1020 473821.7673 507540.7236 1016507.4910 841756.6644 827990.3516 761180.5904 1120957.6840 1864072.5560 596902.1203 1546181.0840 1443063.5820 851480.3581 388378.0578 932801.4191 Androsterone sulfate (1) 1501056.9310 1216248.8980 2250489.2170 1500451.6810 1513793.6190 2072487.9160 2136807.5680 2250871.9220 1563251.7040 1534650.7680 3895232.5700 2076979.8110 1929978.3510 1627714.4670 2360188.9720 2256203.3860 1798106.8040 1348183.5860 2144855.7030 1155017.9040 914196.9130 2764312.8240 1320467.3320 1258468.6780 1877440.8570 1539753.2460 1848161.5790 1513811.2500 1978827.0170 2773243.4780 1829664.9790 1255330.7010 1277862.6670 1914997.9620 2636246.8400 1797235.1260 2297237.5720 1820939.0050 1326509.3010 1160177.4040 2978836.8700 1051329.6990 1398845.5890 2240403.3050 1857790.4680 2731467.4250 2198110.1590 2096274.5100 2666124.5840 1661840.8550 2060995.6840 1210351.3050 2034836.0170 3089943.8040 2429493.2140 2440341.8290 2749421.1950 1370276.4340 977360.7475 3290019.0870 1064884.7670 1868556.2950 1777169.8360 1562815.0820 2056094.6270 1837791.2200 1769559.4970 2785185.5770 2386461.9940 1526810.7150 1772904.1240 2914405.5230 2069013.2630 1815992.7080 1617242.5070 2435259.7870 Androsterone sulfate (2) 8585011.3980 6988878.2520 8717716.5880 3888132.6610 8595782.5130 11777580.6000 9720371.3760 6767946.1910 8235644.3730 5274980.4690 16140132.4500 18354497.6800 9556311.1040 15060888.2300 11045742.9200 7623676.2280 10073573.8400 4561254.5110 7052287.6850 9241494.9030 6221965.3520 11929593.4200 4076585.0790 9017180.2010 12470168.3000 8350963.2000 7405110.0430 7238319.9680 7631717.9100 15057679.7000 17042172.0300 7331901.1690 14945995.4500 10633240.9200 12312848.0400 11634844.5500 6617425.6870 6600747.8980 7027590.3490 7807118.0390 9895486.9340 3189042.1360 8544910.9770 12799075.1000 8335385.0150 9103583.0950 10252758.8000 6500103.0710 13803626.3000 12447885.2300 9462789.3490 11548741.5700 9522221.7550 14264472.3600 11733991.1800 6454607.0680 8252063.4520 11367597.4500 7258589.2250 13571544.5400 3715753.9080 13240973.5400 13198017.8300 9838394.6220 10002547.6900 9454179.3960 7559539.0330 17829341.3600 20529526.7200 9529908.9990 20803410.6800 14971675.7800 13832044.3000 12953644.5800 5408158.9090 8311579.5320 Androsterone sulfate (3) 55893257.2800 35968325.2900 93113884.2700 40520472.5900 28057064.3100 63190956.8400 25148852.8500 64120599.5000 66060052.6500 33559869.0700 67601322.5900 60357636.8100 132830284.6000 64396780.1100 89493541.7500 76270734.2400 29170955.0100 34723813.9100 26996173.6700 60667896.3400 35891906.5200 116719670.7000 40240688.9400 22981820.6900 63658844.3000 20494947.9800 65710066.3700 66773604.5800 42954301.2900 61975104.5200 55477998.2400 114488641.5000 60166556.7200 82577186.7000 82978090.2600 26656666.4700 42117642.4700 26456502.8200 48698944.6100 40762757.5600 110507462.8000 37098393.9000 22842990.7100 71021049.6200 21518323.8700 74445578.3900 76999113.0700 43549870.0800 61688334.8500 49068688.4900 130140172.4000 58586555.3600 83013144.5200 90625473.2800 31048714.6900 40113671.2600 32240595.8200 62566021.1400 38393154.5200 125564544.6000 40515592.6100 27793354.5700 69031799.0600 20074694.4400 70879447.9100 66933667.1400 41383394.1500 66298976.4200 69792958.8300 128117130.2000 73091094.2900 103363322.4000 82557574.5900 29936316.3100 35658680.7800 33191808.1900 Androsterone sulfate (4) 159759314.4000 94174046.1000 422782476.6000 125190226.2000 52194380.9800 198708997.0000 68415467.9700 232880732.0000 193884775.1000 102592225.7000 188939803.7000 151164649.7000 274118312.4000 197987809.2000 300661452.5000 245783866.9000 90025762.9900 84642497.9200 71453048.9900 193159496.1000 91158117.8200 455124853.8000 125637579.3000 53190540.8300 206906144.2000 57993154.9100 245985910.8000 203121107.4000 122106136.4000 204589474.2000 147753953.0000 263311685.8000 212766220.4000 311837502.9000 291654005.4000 78917741.5300 97510340.4400 74634238.5300 159575877.6000 101801367.4000 420779555.7000 120586168.5000 56489236.0700 213127441.6000 62427602.9200 245172726.8000 215440759.5000 123782182.3000 205989543.2000 131739368.0000 265647457.4000 221139588.9000 312918806.7000 304540733.4000 92593718.0700 94500079.1400 87967216.1800 193867293.5000 100966969.4000 479203237.0000 132607474.9000 62286616.2000 212408729.0000 61457671.9800 260657068.3000 194278923.3000 124327187.5000 218129040.1000 170871788.9000 297870948.2000 239189355.7000 344467570.1000 313503360.9000 87752517.6400 90295396.3300 87256557.0400 Androsterone sulfate (5) 17802405.9900 15861598.9800 19315793.8100 8904984.6240 7222511.6560 15890170.2600 11798077.0100 16733566.3600 16167229.7500 14061276.0200 18421984.0500 12998173.3000 14267557.4500 16822918.1600 18416018.5500 16245415.6600 12875791.2200 7664865.3470 8609030.4400 21086528.9500 16031389.1600 22978876.8700 9082274.6600 8427621.5070 16298319.6400 11636299.3100 17590159.7900 16094087.3500 16495753.2800 18310020.8900 13483889.3600 13241100.8300 16630983.1000 18813335.8600 19794623.0600 12628486.2100 9295193.6450 8683194.7950 17548069.1300 17542908.9400 20830710.0600 8763678.7010 8779831.5600 18011395.5100 11614585.6100 18599300.3600 17895704.6600 16984735.3500 18169609.6200 11637926.8800 14300898.0000 16751199.2300 18725952.4700 20809514.2000 14362063.0900 8670688.8200 10387009.8400 21793689.9700 17924200.0800 23731927.7600 9298728.0520 9991055.9140 16998446.5700 12018574.1600 18656679.2700 15955907.2200 16782966.7600 19504993.3600 14770145.2500 14972030.8000 18361965.8200 22046247.9500 20352445.0000 13804954.7700 8181189.4490 10058661.8300 Arachidic acid(FFA(20:0) 39727482.3900 24937719.5200 20418372.8800 25909399.6900 32819208.0500 24422575.1300 25751151.0500 16206297.8600 23047396.0300 19845049.4600 17444720.6700 18785384.6000 21289284.4900 20382869.7700 25185659.7300 30621339.7600 23241288.2700 36057613.0000 29112728.3000 26338754.3300 16706357.4100 42381594.0800 17884007.6900 14391163.9200 20776347.1800 23457301.0100 13548810.2800 12362235.6100 36882375.1800 32317017.3700 34004823.5000 26228061.2300 16710997.9800 27451539.2400 22702229.9400 13250151.1600 22725459.9700 17734817.0800 23698605.7700 23755025.3400 17018070.1700 19748053.0400 17964078.9400 22107149.5000 22389226.7000 20761925.3200 18663005.8000 24899253.7000 18208236.6200 19624720.7000 17926133.5800 15072740.7600 13734568.6900 15259310.0800 25025941.8700 21702982.6600 18232643.6500 42492537.4100 24669368.6600 23293017.9400 20907936.3900 27625693.4000 28074423.1400 19154961.7800 18949334.5900 26630694.9500 36524552.6300 29364212.3400 20631038.8900 34887584.8100 27951140.3900 22812887.8700 20508542.2700 24324229.0700 38994058.5500 44506284.2400 Arachidonic acid(FFA(20:4) 449962069.3000 324510150.0000 182770895.6000 109613929.6000 104186674.2000 154434221.6000 227387757.6000 155250393.0000 286976406.3000 102245894.1000 124382658.4000 424284701.5000 169015954.6000 122318625.6000 212500460.4000 111698703.3000 170007345.3000 195580001.5000 148654935.7000 437908111.5000 89270337.2900 623267673.1000 81145220.8200 87636332.3500 143243432.6000 108237229.1000 98862439.4900 56808095.2500 148606145.5000 80127780.5800 155145572.7000 139095070.4000 82571906.1600 428894438.9000 184370508.8000 126342735.9000 239307479.0000 127022040.8000 267164970.3000 253891645.6000 163921986.4000 138957284.2000 126146290.1000 266918765.8000 122881116.7000 160158564.3000 124021254.9000 160150639.6000 115312359.5000 149807654.2000 254102440.5000 87918219.7200 206613023.8000 195649051.4000 292815473.9000 179381674.2000 116305627.8000 658531472.0000 332632390.2000 258563601.5000 281673420.7000 386738633.5000 290512157.6000 220820626.9000 450850393.4000 214263790.5000 273290851.4000 306200946.6000 212629833.4000 314173939.9000 188007340.8000 466955665.8000 422014878.6000 481744066.2000 186623887.5000 203742890.0000 Ascorbic acid 93462433.2200 94072755.3100 58231895.3200 34303695.2100 35622760.5600 72245397.4500 109657684.8000 45622930.6600 48458493.3800 128070926.4000 21034838.8700 20160085.2400 43941316.8200 90885507.7800 119558247.6000 54010977.9800 98308002.9800 31531105.7800 26551195.0900 70214121.5000 46770546.0900 83880677.7000 62383344.3100 71931285.2000 101459632.1000 81051278.6400 53496216.2400 33517710.6400 20667940.6400 77420710.4800 15628630.9500 53377291.7100 83779276.3400 147636712.3000 37421210.6300 77209305.4000 35316305.3500 40751729.7700 9041924.8570 60317958.2200 264451730.5000 207880811.7000 94083544.3900 56925322.7000 95541145.5900 56210786.3100 15942405.9600 23906836.5000 13629024.6500 25328371.4200 78891129.5200 37267782.4300 97448457.1000 33948423.7500 90373927.2300 53804091.2400 27271882.9700 36492174.5400 65064342.1800 147742552.5000 144214381.3000 78835780.7200 53167177.6900 52730367.8800 62378996.9400 107821638.8000 48075068.6900 49257124.1300 43781464.5000 49342947.0900 62109970.1500 58759288.4000 51352704.7900 100825181.0000 63517187.9300 48747924.0200 Ascorbic acid-2-sulfate 67677924.6400 24237355.8200 51384864.8700 27001952.9100 28573047.3300 31123944.0400 38390300.0700 34121229.1500 30044180.6800 40793243.2200 28085500.2100 25276793.9000 46227385.7400 35968699.6600 25136011.4600 38111293.6800 30770646.3400 35423173.0700 35504793.4500 78292885.6200 29262892.0200 47716261.8500 37935895.1200 36890651.1500 37813736.6400 39364194.3900 36580164.2300 36053025.9500 42128346.5400 33881208.6500 34045540.4100 53061011.4200 41400285.6000 33009335.6400 44949352.6300 36068431.6700 48038750.0100 43958068.6600 67883825.7500 27191249.1200 35850580.9700 25715783.7600 29407314.1800 36522306.6300 32140931.1200 34780501.7000 32068763.6200 39935556.9300 28936792.8300 25717669.4700 43443389.4900 35293176.5500 26325984.9300 38727197.6800 31925431.0800 39896897.4800 31615612.1100 110851905.3000 41754178.5100 66690905.1300 38614466.7400 39286943.6300 45065132.2300 40995190.5700 48777381.0200 29713007.7100 58983442.8100 43578101.2100 42214249.2800 65137852.9000 54646309.8900 45006700.6600 58393419.4300 41080728.8900 55272696.1300 45099915.8100 Aspirin 980755.7649 2930473.5990 2063233.4210 1996663.9720 1937513.0630 303888.6649 1507120.9530 1577851.8910 3595746.4650 1695100.4490 1817793.4620 3596245.1820 2145432.8450 1207144.6970 2211720.0370 1967987.8920 1960047.6400 2103185.0850 3128697.6400 3613455.3950 2703392.7130 1375204.2670 1824773.1180 2221873.7220 1733824.8510 1646710.2240 1845909.2850 1019402.5890 4193574.5450 1381439.9100 2338144.1730 2248156.1760 1412556.8410 4120734.0050 4324649.9850 1168805.8430 1237239.5220 2183760.4450 2060704.8380 421179.1818 2001487.6290 1888291.3470 1930151.2570 3222428.3430 1739006.6280 1740136.8390 2785161.7540 1389350.9580 2349716.9600 2628728.6980 2830425.8700 1621711.5140 2179154.4870 2405649.1690 2340713.8540 2146810.5530 2603071.9880 3876246.1000 3429895.6780 3108092.3520 3070852.1750 4255864.3810 1203594.5290 2436676.6640 4196970.1760 2652516.3130 3600504.0460 4059758.3710 3494212.3960 3245153.7500 217957.3140 3622506.1980 3216351.5360 3555682.6580 3310686.7790 3837085.7380 Azelaic acid(FFA(9:0-DC) 3813342.9540 6016864.3100 4994719.3410 3724917.4190 4031365.0780 3946491.6560 4147884.4910 5085344.8430 4990912.9040 5003167.0480 5064603.1310 4608757.6270 3851515.7330 4900143.7010 4716893.0830 4404253.9000 5077311.4580 5496699.8330 4158337.9320 5775195.2280 4639168.7940 4306775.0280 4508505.8810 4742057.8950 3955375.6510 4163596.2120 4505645.4620 4686265.8510 3952898.4730 5133560.5730 5417861.6400 5625525.0510 4734831.0740 4743458.6230 3970744.7390 4640239.5440 3758401.9810 4387544.4690 4411092.5090 4483074.3010 5274556.6630 5072623.3620 5184866.4370 4669413.6990 4300787.9570 4410266.1020 3448539.7620 3867461.7450 4450249.9340 4144280.4270 3760572.6960 5565601.7780 4499499.3770 3974594.2150 4390862.3580 4462794.2890 4376060.7510 5130451.8510 5714974.6190 4235198.8320 5041326.5490 4451923.6830 5779274.0310 4882931.7550 5297944.2840 3773269.3950 5112116.2390 5780144.9950 4652626.5890 5219194.0260 4855923.8120 4822355.4710 5262645.2260 5955150.8930 5361833.8350 4452954.6160 Behenic acid(FFA(22:0) 7301977.7330 7544700.5980 8719316.3080 3331187.8830 5420010.5600 5008879.8420 4145605.4920 10860419.2900 9391945.4390 11061287.4700 1045308.7990 8116966.1420 2632191.1390 3474766.8960 3929808.2180 4723884.7300 7397259.2860 10190895.1900 6237612.0010 9244309.4860 6963285.8530 8007687.1620 3004280.9150 8629057.5420 4673126.5110 9569563.3570 6688307.2190 5964989.9010 6891943.0460 9744450.9930 11055836.8400 9696514.3900 7246301.5090 14486763.2300 3767889.5670 5189700.0310 3424864.5200 7537700.2210 7494130.5270 4950023.0520 3062361.4140 6679671.0330 8861833.5330 3973238.9960 5485908.0730 2916273.6000 2368864.1190 4587333.9360 7241970.7200 8879267.6010 2227307.4960 7018993.3500 6253079.8280 261337.8777 5514365.4590 3872295.6760 2321731.9100 14449601.2400 10728105.0600 4095119.6560 8038189.3680 7328174.5480 4166374.9540 7997272.9980 7123077.6190 3819205.6930 13523599.0400 11768525.1400 5056554.4020 14036551.1500 5246308.7100 3437440.4550 8500297.4170 8984900.4940 10634355.9200 9698109.7310 Benzeneacetamide-4-O-sulphate 3555.7355 5826.2098 88008.8158 34800.2915 45909.8511 36305.5488 25390.9116 47581.2139 47145.4725 10711.9740 89838.1634 78426.1651 57134.3894 47606.7368 46774.9506 73111.9272 1941.9146 28965.8675 5746.6590 130644.4024 29293.6097 57387.1185 4197.1038 36795.9368 22800.5875 29173.7089 46121.8268 102799.9523 16873.0645 90252.7614 67429.4371 91438.0293 14170.9516 21560.3889 64554.7378 2158.7856 42874.2136 13110.8548 87140.0171 33262.3830 53656.1131 22736.2527 20549.9778 5041.6807 13451.9624 67756.6288 52352.1460 51178.5517 99958.9924 51294.0420 48668.6238 23054.1565 44034.7890 104670.6262 52800.2170 28950.1887 41788.5328 145076.7514 26271.2806 106908.5462 30392.7925 74642.8443 3919.8193 16850.9038 42801.7399 26014.0041 21271.9772 88147.0146 161771.4461 139130.8011 6000.5873 69211.2171 105252.7203 43086.1813 68592.5700 42557.4670 Bromide 1891534.7080 1155722.9850 2218132.9950 1824302.8030 2285751.7880 2360352.1200 2014549.9300 2360498.1540 1172031.8240 1641094.1870 2688813.9060 1098566.3570 607888.5533 1799955.1310 1698242.1370 2561984.7770 1418380.7320 2596744.6560 1374077.2390 1337708.8400 1626644.5160 2695967.5420 2606751.2370 1329916.4040 1676069.1840 1949296.6830 2911666.1690 1246421.2690 1679511.4900 1780609.1320 1977617.5060 1526509.3880 858454.9604 1424818.2450 2070010.2440 1439234.4530 677243.3319 1023513.6320 1785278.6130 1478829.9590 2430912.3470 2007136.1900 1712281.5890 2774455.9800 2768337.6670 2172795.3790 2363269.2540 710660.7616 2217763.5440 2759514.1580 849148.5081 1545440.6050 1557461.9040 3998922.9440 1512779.4920 1405654.3610 1581344.4780 724741.0474 1810289.0590 1790755.2810 1958834.3130 1494776.0900 2281471.4230 2101942.3810 2088482.0160 1379837.9060 983970.7650 1155744.8640 1073100.0260 1733136.0970 1645038.7450 1979971.4950 3337022.4760 1783847.8160 1953391.3290 1452233.9420 Bromo-tryptophan 623443.1344 1078405.6230 807298.3575 704931.9593 804033.0926 838106.0224 896031.6486 1039435.7160 805641.9726 1401818.4550 987682.2813 1096431.8150 818792.8377 754228.8802 1033754.1700 755222.6597 884622.0318 913196.5372 1089721.7460 711874.6542 1098394.5410 700798.0355 731361.3384 792118.6001 888361.0617 895933.9898 1050228.0790 942393.9456 1595937.0110 1088675.4820 1181155.4200 808564.9053 744930.9008 1091504.1470 805778.4122 903626.7543 1069800.4560 1244188.6950 770113.0976 1063454.5290 784880.3791 638096.5870 820846.3383 837757.8712 956550.0020 1034442.5030 894185.4123 1754462.1420 1155287.2000 1094182.6420 778472.0208 780314.8038 1208117.0950 842190.6741 920153.8304 1030908.4210 1222705.4610 733870.6539 1183919.5580 824507.7374 604393.3582 720529.2010 796034.7547 880003.9333 914199.8887 704284.1130 1694953.7640 926693.6460 1234446.8370 848714.6940 800391.7768 1137840.2450 761097.4844 807615.6679 983848.4864 1221449.3710 Capryloylglycine 3780.0557 14976.4765 7994.6646 4511.3144 19797.0522 21183.1037 12859.1625 12534.0077 33758.0854 7967.3777 23726.2683 28255.3187 13715.4896 3684.4972 30840.7442 24826.4053 5493.3617 2437.2881 3854.7776 27825.5253 3748.5925 6786.1607 4462.6930 37112.8104 12954.3496 9030.1138 8587.7036 6668.7045 21718.2628 37447.5108 8433.2891 34374.2423 8602.9618 32495.1054 4347.7417 7707.1349 9566.4310 12754.4953 3442.7704 4468.5382 15510.9050 20170.6926 3168.1657 17018.2067 4648.4260 4228.0994 11905.3318 3514.6421 7463.7070 13645.0106 4497.3700 5982.5704 18923.1960 10610.6738 5093.9807 15075.0406 4189.1434 10901.1044 33567.4971 6029.7065 9495.5276 23623.0698 8411.6031 8166.7717 8100.9730 4624.6141 2721.0135 14672.6293 20095.5240 10014.3725 5524.9027 14078.3372 13445.7455 19232.3351 4677.6405 17575.5173 CDCA-D4 120735367.3000 125611778.8000 140167943.3000 124658700.4000 129378244.1000 122951159.2000 123402078.8000 150616491.4000 137098026.4000 142914294.7000 119970755.0000 138624542.1000 123374909.3000 131520920.6000 125399665.0000 124193510.7000 136702433.8000 149945630.8000 123278077.4000 148975572.6000 141448739.0000 126576212.6000 125024017.5000 142646786.5000 121727137.1000 150338042.1000 152042923.8000 140009062.4000 129081683.8000 135469185.5000 143372179.5000 141131472.2000 139312485.1000 138696948.4000 122444776.3000 142471179.1000 121736036.9000 133577668.9000 136536252.1000 124890395.9000 126647027.3000 145129592.7000 144779385.9000 126401281.3000 135461231.0000 131297044.6000 122249472.1000 139692046.8000 143651849.2000 152166886.8000 125337477.5000 143796450.4000 141995670.0000 121320591.8000 135267223.1000 124379633.3000 125973277.5000 148881877.6000 138688728.7000 128287581.2000 141451107.3000 126217845.1000 120185227.7000 139126569.0000 133672342.2000 121148293.1000 142116777.5000 140263424.5000 136994285.8000 136637521.0000 118780257.3000 120454737.8000 137976515.7000 142787419.1000 140291649.0000 127670363.1000 Chenodeoxycholic acid 15624376.0200 10312172.4200 29583563.0400 25744980.7200 23636512.7800 13090419.3900 33952174.4800 144766533.6000 52169681.6200 31217336.5300 6359893.5980 19072692.8700 5402611.8910 7653083.7570 25277822.1100 11599576.3400 8097956.5160 31034678.9300 24351217.2700 25542287.1000 12791276.0100 16091112.9800 8754606.0880 10704851.2700 4352140.2650 38065424.5200 11230780.3500 20293539.4600 13834858.6700 25495603.2900 63659161.6900 19906629.5000 12861430.4900 9866747.9820 3651226.6930 21789114.4300 4612098.5150 3433115.7120 17985757.2200 110765959.3000 28882170.1300 36935268.8400 6756610.5780 7532221.2530 53590549.5800 22307617.3000 26537744.1300 39695236.8200 28189406.1400 149042892.7000 22086408.2700 29287643.2400 13167385.5500 38022721.1200 15370328.0700 4093539.7830 21568704.9000 45377660.8000 33762921.9200 11743196.2600 7261168.4710 1317730.8700 10393944.3200 13515294.2600 3283697.1740 10303220.9700 31001551.1300 38648522.9900 127981895.5000 4390582.3600 7144716.2080 7385753.4530 12530219.7500 14095516.1100 6333255.3690 6403514.4390 Chenodeoxycholic acid glycine conjugate 119451694.7000 95326221.2900 187979196.4000 249807137.4000 174131915.6000 139221188.8000 237511100.9000 524208111.0000 19561064.8900 641200996.8000 137101834.6000 122810002.4000 382863375.1000 320581058.2000 333565060.8000 298039244.2000 342999511.7000 841631941.1000 164980914.9000 247743569.2000 250597688.9000 353885211.2000 278402625.4000 465015156.2000 112209199.3000 718922346.3000 756596345.5000 285192202.9000 408682062.3000 153178370.8000 422743743.0000 234454847.3000 129660001.9000 244463821.9000 152356155.2000 449938451.7000 95913646.6000 72005434.2100 135648636.8000 71705115.4200 271169787.5000 232165179.9000 262237142.2000 166439174.2000 510726691.8000 456757710.4000 35275565.8600 998136603.5000 358289105.7000 405135679.1000 115955154.2000 267083649.7000 400833652.1000 205811008.6000 329801736.3000 95257336.1600 407970137.8000 490346385.5000 81836032.1500 333768442.5000 234957106.5000 169544256.0000 109445847.4000 150949126.1000 126041739.9000 10953469.3400 457519183.4000 123248132.1000 215717223.4000 91664158.7600 163149337.5000 179793093.5000 186731048.8000 285279582.1000 154317232.3000 107322587.6000 Chloramphenicol-D5 921052610.9000 961176850.7000 1031823654.0000 897103988.6000 955167503.7000 893797336.9000 947936924.2000 983753426.9000 1023600014.0000 1026851866.0000 954790144.3000 996721986.7000 934534845.5000 922493445.4000 901801939.4000 914860251.7000 994026063.9000 984410809.4000 939443671.6000 1056973938.0000 1021218803.0000 913174930.7000 931715818.6000 1060222665.0000 905837004.9000 1052657263.0000 1034785540.0000 1018485434.0000 942644182.5000 1040572561.0000 1058678672.0000 1037549950.0000 1047042466.0000 1025113327.0000 911790211.9000 1056350296.0000 929880491.7000 1008535538.0000 1013619353.0000 895946406.8000 938748242.3000 1019121499.0000 1126689694.0000 952453654.7000 970411455.1000 956416831.1000 920208031.5000 962608362.6000 1085925932.0000 1020690726.0000 947193145.1000 1077737771.0000 1021149420.0000 899935299.3000 965629320.9000 938220230.6000 918926949.8000 1050531895.0000 1019848960.0000 922294221.6000 1058756400.0000 933526662.0000 906653821.2000 1030391117.0000 1029401778.0000 922826890.0000 965717806.8000 1015216860.0000 998331656.5000 988978289.1000 870553334.4000 904738114.7000 1078935151.0000 1076155707.0000 1034711492.0000 926079533.1000 Cholesterol sulfate 299449304.5000 251083130.5000 50695.7138 155028400.5000 179852299.2000 174596397.3000 172428914.5000 69537.5474 154181861.8000 129931558.4000 143077564.9000 108921891.7000 250870240.3000 166510653.1000 229762238.0000 182125090.5000 86412096.5500 51452.0190 154192305.0000 139374433.5000 134879855.2000 370106436.6000 184461748.0000 103314482.1000 217793540.4000 163051633.3000 104196297.1000 79051034.8400 217124777.5000 99566506.2000 125742.4111 133477786.9000 115704643.4000 244014925.1000 183864282.5000 67972057.4600 181282818.0000 94435210.3500 156277317.5000 311049871.5000 190806151.3000 116175752.6000 158450471.3000 264698966.7000 188839104.1000 241978842.9000 212672935.1000 246160620.2000 109787082.9000 146011736.8000 160113459.6000 110508887.9000 115431432.7000 147872688.8000 218867915.5000 264579575.2000 128931180.2000 14270.6740 199024223.8000 180343623.6000 116835146.9000 209457506.5000 194768381.9000 76323801.3100 103859594.6000 146649545.5000 169098522.6000 147133999.6000 243247616.7000 188153789.4000 325190388.5000 188605484.7000 85383152.3500 114608.5429 98587531.5900 138145320.8000 cis-Aconitic acid 250034163.8000 185895130.9000 169610965.7000 280758264.6000 228482048.8000 239615379.6000 298296215.7000 189303949.7000 252518353.0000 164242717.7000 225749864.5000 207204914.2000 251640866.9000 212048698.6000 269212721.8000 183455388.6000 236594824.7000 250462076.0000 209741683.1000 255476090.0000 212715211.9000 221147700.2000 264519267.4000 260977338.4000 252757053.7000 232670423.4000 291815163.9000 273431591.1000 227755164.8000 147062984.7000 248839481.4000 239897326.4000 209520807.2000 256888776.5000 199815692.7000 244815270.7000 234237607.4000 220778606.1000 233997817.2000 237043824.2000 217922435.3000 264636886.0000 190122244.7000 309380535.7000 275085275.7000 342300582.7000 251552461.9000 238258260.5000 232193601.8000 238993568.4000 251174318.5000 223190630.9000 185328789.5000 218920950.3000 253236590.5000 247320406.9000 291169185.5000 418071419.1000 345761678.8000 325727607.7000 384569729.8000 388458117.7000 339105316.8000 313865951.3000 406645074.1000 339420471.0000 350247923.5000 309421342.9000 312224368.4000 326963861.8000 308274292.8000 260160995.0000 304823816.8000 308369323.2000 219698557.7000 352655801.0000 Citric acid 9270880162.0000 8394532388.0000 7456226873.0000 10286985011.0000 8432336876.0000 8799147481.0000 10511580428.0000 10128750718.0000 9026712200.0000 8737508063.0000 9690884904.0000 8249423554.0000 10851187643.0000 8552037237.0000 10038293723.0000 7856999080.0000 9381708347.0000 9421076339.0000 8697383739.0000 7897026512.0000 7989285566.0000 8563148677.0000 9537667064.0000 8725536490.0000 8612691746.0000 7950672808.0000 9118356741.0000 9822398402.0000 8522799646.0000 7191441222.0000 8351520646.0000 8620538799.0000 7195011065.0000 8069819378.0000 7115712937.0000 8915704541.0000 8597973190.0000 7512058099.0000 8738025703.0000 9416392013.0000 8568236547.0000 9673468288.0000 8732389313.0000 10652734193.0000 9756055006.0000 11400275533.0000 10610866375.0000 9479898593.0000 9210739129.0000 8930967331.0000 10768809639.0000 8403052838.0000 9665371967.0000 8494667908.0000 9243273126.0000 9872166440.0000 9472990012.0000 10905081116.0000 10398001895.0000 9566580830.0000 10714567452.0000 11784798497.0000 10051994256.0000 9537577520.0000 11192045672.0000 10970586008.0000 10975643567.0000 9581644911.0000 8952224170.0000 10526142858.0000 10583755143.0000 11531007806.0000 9050932574.0000 9854181029.0000 9703618931.0000 10003067182.0000 C-Mannosyl Alanine 236401924.4000 253902040.9000 118532260.4000 95891849.8500 67846889.7600 137066743.7000 95452181.7600 97973025.4600 165417101.9000 351150823.1000 52849198.0000 137307099.9000 127437699.3000 87498263.8800 114657111.5000 155161303.8000 145763886.0000 109034494.1000 88035768.1600 218393646.0000 167285197.5000 96916890.7400 86758026.1900 126358028.8000 120737987.7000 165654512.1000 170365062.8000 50638618.0900 84303423.6400 155522456.2000 127542937.3000 91038860.3100 155277198.9000 184016428.6000 131079623.3000 92652947.4100 123433895.2000 72279526.3600 88957506.3700 76288677.9300 216577233.7000 396705488.1000 226210992.9000 87472327.3300 140472803.1000 106891289.0000 61268172.0900 61549251.8200 25016545.3200 116141764.6000 186150052.4000 84589537.1700 163399002.9000 97825406.2500 146915925.5000 157869157.6000 75313630.4600 164742335.0000 115053600.6000 133128963.9000 106326905.0000 127476000.7000 75831089.1200 106964792.3000 151454386.8000 176317375.3000 85468118.5300 138577806.1000 129568260.8000 134183356.3000 90098088.1400 97203526.3700 102681831.9000 122193732.1000 124589522.7000 99591220.5600 C-Mannosyl Asparagine 7373707.5050 6463498.0270 1461781.7640 1126438.5880 417773.5929 386730.3852 1758517.7070 432316.7013 1680182.1620 16466831.0300 290411.6632 1660840.3580 4879269.8230 474209.6876 446987.4189 897814.6785 1425246.6180 969514.2581 435039.9165 2945887.5350 3434615.6090 356103.0241 1319008.3350 1295346.7980 387231.5954 2794858.1920 1788931.4170 228978.5792 1572097.2200 3888174.0080 1602738.1560 570838.4227 4636583.5630 9694679.6570 1810244.0830 2889763.8190 886303.0204 345232.8977 288371.7866 32811.2346 9862948.6950 20339283.5000 12884297.0000 438259.1162 948275.6009 523062.9162 185935.9706 425518.4954 66377.4397 283001.0584 13027629.8800 211395.3678 1085925.3870 890913.8961 3506002.0190 8887180.8350 609138.8477 2169267.5950 602977.5175 1513169.0500 647676.8040 500624.4830 229479.5984 604430.5427 2644763.2350 8650634.8920 1407384.5330 1828607.0870 864565.2640 3054628.2250 386807.6513 257779.2385 203759.2271 293173.1283 1917090.6890 216890.7384 C-Mannosyl Glutamine 148543758.4000 202426852.7000 91749470.4300 90361008.9200 48273137.2400 73258113.4600 89270573.2100 57332361.7400 132856650.8000 257116287.5000 43264767.0400 137295409.5000 141865828.7000 60772013.8600 63087737.2300 92077932.2500 104490806.0000 102896513.7000 88050319.0500 127899913.9000 142544555.4000 67872246.8300 68139818.5100 78930125.5000 70609678.1100 82817436.0400 87122263.1400 48691055.5200 95367989.7800 113945734.7000 115238942.0000 58949686.5400 131035791.0000 185790287.2000 107448491.4000 84345097.2300 95784336.7400 61763794.4900 44705825.6300 36456116.4700 152922451.7000 313300922.0000 203919428.3000 74798360.0200 73247367.7400 54338838.3200 81243680.9000 44174057.4700 23494010.3200 74356787.7900 228229998.6000 58187711.5900 88352973.3400 80169308.7100 124679661.7000 187008519.7000 83575325.5400 90054736.5000 68312130.9600 96444240.3000 64702795.6100 76808157.9100 42337479.7500 57155274.6800 97654182.0300 190239210.0000 100713802.6000 114165432.1000 87564204.2600 117682010.4000 83382749.8400 70471878.6900 69954179.5300 64116009.7200 121875386.3000 74309538.4300 C-Mannosyl Glycine 75876074.2900 99093842.5700 38550701.9100 49890600.1800 21682552.3600 34413350.8800 27317100.3800 25568727.1500 64883110.0400 153931954.3000 22029351.7100 38388813.2100 58514195.4600 21314091.8100 27618265.4000 32921874.7300 38284745.0100 39584632.3900 33037507.2800 52832241.1500 63142357.3700 26264082.7000 39035008.2400 37850069.9300 31998227.8100 43390563.5000 39705313.4100 24610100.6800 43332202.1400 71158275.7200 40371088.5900 29239944.5600 61787239.3500 84438598.3900 41790320.3500 32743265.5700 41301221.3600 23541503.4100 21928125.6500 20005604.6900 86884563.4900 164682650.1000 97537367.0300 24926566.9100 34120073.6100 19252894.0800 34492763.8200 23255376.7100 12312429.2300 25375487.7200 99417663.2100 23921807.7600 40043603.0400 30870323.1000 51728232.7000 90096102.8000 31653654.2200 46046936.1600 33756852.6600 39895876.0900 31796415.5600 30856608.6100 16067131.0900 29390322.8500 38380564.6800 121127859.8000 40979285.8600 61750165.1700 33272845.2900 49568403.1500 29116554.7800 26724854.7300 23853198.4500 23207913.5300 51460320.5000 29365210.8600 C-Mannosyl Leucine 50244927.1300 45904801.3500 39739553.5800 37173950.9400 22466550.4200 31900306.7000 29662743.2700 23028340.0700 37670236.5500 73525910.2900 15226284.5500 45702133.8800 31749072.0000 28869808.8600 23354106.9000 38654073.0300 44310157.9900 41905668.3400 24610896.2300 93257490.7100 48906920.7900 24477535.5500 32802311.2100 35768658.4700 32534409.4600 56347877.3600 44595935.9900 10200994.6400 37340065.0700 57847432.1700 48375898.4200 31547779.6600 69320126.5500 43708870.1900 34797341.5100 27436584.9700 27845262.0900 14452174.5400 26815927.0400 9183799.3060 53092440.5000 101315231.3000 55375434.8200 26620868.1900 33221530.5100 24150820.1400 12302082.6300 20561708.8300 6071392.2290 26803539.7700 34290122.0900 27400559.0200 33366903.7100 22703204.0000 48211738.4200 26150879.6500 17562807.0900 31092593.1800 17728116.5000 23588554.0600 28633607.0700 20448917.8500 17930537.0700 19955479.4200 23874711.2300 34064634.2900 19422490.4100 28577488.6900 44694382.0500 39854681.0600 15174496.3500 17234855.2500 14331041.0800 24678501.8700 24858455.5100 23792519.5600 C-Mannosyl Serine 61026865.0000 63613139.5900 27525540.5400 27885643.4700 14217630.3700 23972203.5900 29541480.9200 16538203.4900 35805855.8800 105111450.7000 13443123.6600 28287246.6600 38631947.7500 16853345.2600 16908684.6700 25883660.6600 30364098.9400 28129802.3900 23041017.5200 37279928.3200 35699586.7900 17156787.9500 21333102.1300 26610362.4100 21831778.9000 31869921.8900 24278775.9000 9045043.0130 24083795.9600 32884744.7200 26622306.6200 14796665.6600 40637328.6600 64340191.6500 29468670.7500 22758073.7300 23536368.6000 16109815.3800 11598500.5600 10854636.3400 63073534.0600 134908231.5000 83014806.7700 20321986.5900 22731471.0100 13312412.0400 20083668.0600 11488260.7000 6127075.3790 19117275.0800 68554722.6300 14644607.1600 24005067.2000 25333061.0300 37277050.3200 58264877.0800 17698994.6800 27477906.1800 20133173.1100 25300850.8500 22413476.1800 27756069.8000 10112598.2500 18980157.5400 28651993.2800 65206772.4900 24240175.2800 30289338.2800 22779240.4400 26029341.2100 20635208.2700 15617750.7400 19727934.7700 17023770.9200 29443903.1500 17166915.3100 C-Mannosyl Threonine 76137568.2200 95402492.0300 47151324.0500 46794655.4400 27533219.9600 41103565.0700 56486063.2300 39068005.4300 62502109.0400 144277487.2000 30935360.4700 47072338.5000 63744117.8000 24859868.5900 26323215.8400 44036257.6900 44880338.8300 48151636.1500 43541297.0000 52548438.6800 73873645.6900 27966737.7800 40261110.3600 42494283.1600 34658045.2300 67144817.3500 41748118.8000 21227461.5900 47556178.7300 74342282.6600 59511928.1700 24884361.6200 63525067.1100 99682518.6100 54786598.6600 39330825.0600 45155888.7400 27344729.2400 23491192.1900 22170279.8200 94495513.9700 179577791.2000 114665580.7000 35126455.0600 57405994.8000 26551338.0500 44621395.8300 22124933.3700 16092278.8000 48557635.1800 102431868.1000 28595080.7300 42842391.3300 50673242.2600 60796428.6100 109938561.8000 39493220.8600 46965112.8400 35285508.9400 41233845.3700 33917777.1000 40665408.2800 19280660.7200 44957752.5800 44108691.4400 105736120.4000 46662733.0600 67322237.5100 49380331.2600 46464585.7900 37117779.6700 28468933.5400 34607352.8300 24662918.3700 53968915.1800 32665003.7700 C-Mannosyl Valine 68953981.3500 60600434.2700 47351703.4400 41686005.8600 24849281.1500 33448490.8500 33128538.7900 32734820.8300 63291274.8500 115415346.6000 15419934.8000 70985845.8500 46462225.3800 27414072.3600 27311772.4100 51467621.8700 68608556.5800 77121396.2400 32865314.2000 132353753.9000 62109778.2200 37519248.0300 34551441.2300 55511302.3400 42446704.8600 65564735.1900 77466082.7600 11988779.6200 37714637.2300 75733531.7400 76952323.4400 49186942.5400 92252397.4400 67823476.8300 49558189.3100 43057116.0700 38101815.7700 23910620.6200 40947957.2800 16726425.1800 63258121.9300 171901258.8000 76002525.3000 35017806.6400 35133952.3400 35253547.9800 19511577.4900 23551647.1600 7025289.9300 39462233.1800 71924701.9900 35923382.3400 54612119.2800 35994353.6300 58324677.1500 40180138.1200 27149935.0000 66242824.1300 30768985.2500 41425483.0000 41109854.8600 36439558.2200 25642038.7400 33814290.2600 46142759.8300 64572524.5200 31283926.8300 48244183.4800 62931767.0300 62175006.9400 27491634.0400 28442764.0000 28655274.1700 51439195.4700 41554094.7700 30701202.2100 Corticosterone 978527.8622 323813.9184 1206416.3760 359692.5601 554828.9034 296842.0216 839912.5982 480106.5543 1298849.8080 203627.1473 406326.3913 539490.7971 142995.3680 395038.2315 209394.5956 549407.8606 425577.3780 825812.2114 309610.3382 518088.7426 43929.3881 19339.6249 149491.2318 190537.5597 5179.5578 278301.1260 157752.1669 133532.0146 118880.2190 281253.8490 12931.1150 34655.8214 77433.6185 342508.6279 2580.2719 428521.3954 72793.6132 120931.4082 781356.4896 273090.8935 531936.6072 92239.4717 200865.6091 482238.2115 372783.0046 172077.9333 329699.0652 181538.5024 309204.9921 386643.4699 342223.6564 207346.2722 417512.1288 336880.5341 263229.8073 270133.1366 578923.3443 8048362.4200 1036271.0290 2969956.4270 204484.7598 48281.7164 1158887.3780 107518.0108 899760.1213 420426.4229 286572.2684 1897361.0790 1199143.7310 1410317.7650 201414.4569 1157973.4990 1791384.0920 187241.7322 704269.9295 454114.2375 Cys-Cys 199271.7663 228347.5550 232056.4612 261493.0444 99620.4719 161558.8462 166036.1582 11366.5916 64697.1216 128199.6611 11146.8907 191401.6414 180172.6924 116605.6256 343325.3495 36431.6871 63129.0707 56735.0143 298355.3242 206992.2053 38434.9702 276508.4264 212985.0383 11427.9881 145738.5039 57223.1355 52893.5696 1024601.4460 308959.9770 11040.9093 78184.0382 69515.8792 158898.0770 276540.4216 73940.0085 26631.1655 194247.6475 304023.5678 64307.9362 158326.7037 215252.0584 46874.1094 51760.0919 196254.4174 168037.7357 239204.5705 630473.7197 309870.7561 11076.2261 154150.9418 88167.9964 123816.8559 107537.8853 173258.5176 142563.2983 22826.9106 99829.7419 36884.8143 52042.9339 269880.4583 245169.1477 172577.6640 180887.1762 158163.8797 102955.7752 565017.6018 277937.3296 117931.7311 95918.4509 303537.0058 152809.3486 204739.8420 247273.3674 69573.9103 28263.2462 232578.9711 Cysteine-S-sulfate 222593.2680 706322.5797 1337652.4870 797903.5190 178223.9367 981813.8881 1549807.7460 132156.4474 121788.0842 460522.4798 589470.6730 1087925.8920 1888372.8650 191717.0321 1322626.7530 476673.9075 1175304.8490 1504673.0430 614285.4467 1132643.7120 858723.1532 1597347.1660 408332.0811 469110.1545 676219.6552 585380.7127 1290967.4740 998391.4231 431987.0569 1402158.1790 1563395.5950 802988.3353 1025441.1070 1419281.0280 1790279.0560 2019701.9650 1831058.5030 1924020.3380 1324011.8640 954528.5778 721769.7875 397649.7691 494753.4690 2194280.5060 300683.5829 1887299.6750 646467.6777 459399.9201 1933695.4430 97899.3898 764063.1141 307844.7877 1859851.1780 1301091.2010 458723.6854 136307.5782 1350834.9140 1194810.8680 707684.4586 1755709.9890 547088.0344 1454412.1830 1145621.0470 324792.5903 1255289.4230 227373.8557 1705916.6410 137253.8017 1050989.2440 2070043.0500 1126156.1250 865413.6762 1823475.4730 1641319.9010 795568.1324 1087457.6740 Daidzein 477016.3169 59535.4962 454286.2449 133143.1440 137283.2610 44001.5903 337221.1605 316700.6488 81516.1867 324593.2466 193051.7145 143127.0582 11810.2239 36736.7071 692963.6985 300780.7337 119782.0926 68120.4514 433548.5394 34517.8482 99215.6085 12178.6773 261973.7920 100187.0848 34950.9306 58863.7263 90447.2513 65512.8568 34454.2176 68980.5986 53675.8391 78376.1623 72298.7740 48669.4408 16697.4775 34607.5218 59840.4556 63762.9606 93230.3083 99284.1785 35398.1717 121513.7506 72163.4859 69803.2541 77719.8305 41272.4121 5006.8605 10442.4732 96961.7721 128129.3714 18374.8457 85204.0835 58908.8761 6049.2855 57615.1200 38346.3169 36539.3864 63566.6154 101060.1429 12351.1545 96371.8598 7731.4996 35594.9326 72229.3022 66717.8416 20984.5542 35335.8420 102387.4687 114497.5094 135073.9885 19069.3155 5572.5087 39055.2454 161395.5659 58538.6375 64692.2792 Dehydroepiandrosterone sulfate 83145.1396 75998.4931 277466.2507 134524.6066 98008.9400 157667.9949 46088.2258 208156.6373 168832.8965 134470.3414 33148.7842 201833.1652 36067.1122 137814.5993 7962.1494 12918.9098 161324.3550 150830.3804 96077.7694 165644.5710 105919.7776 203737.6699 123744.7613 89725.2983 19515.9359 105693.7944 251170.6378 189682.8332 142066.7340 233813.7668 173579.1486 222303.8204 174053.0461 241776.6940 13075.0236 118598.9669 107467.6848 100023.2539 91873.6490 90797.4446 21831.3137 137484.5609 105085.5491 3876.4470 102408.1783 229240.3822 23443.7303 127962.6751 177608.4462 163403.5163 169506.1426 151800.5961 282998.5704 20846.2375 175592.6733 160058.0493 101227.6212 123079.3763 96571.1669 24914.2622 168860.4469 68795.5041 219080.7930 88856.8331 248375.9466 143339.5596 141663.7052 207376.8536 155300.5323 252598.6643 41148.3632 8432.4615 203426.8180 126748.1854 148032.7768 94872.9852 Deoxycholic acid 17754889.2800 39712384.1100 31429577.6300 22807336.3600 57059398.3300 31056050.1800 42394991.3300 55468099.2500 63959709.8000 13796804.8900 41385316.7300 38121675.5100 31113740.8900 21502947.4500 42013980.6000 29790632.3300 23105756.2000 40837142.0200 13743268.9200 29366053.8300 36721824.9500 17913576.8600 14911711.8100 37574739.9600 17630099.5600 33797417.5300 22584084.2800 34879460.4700 12786761.7000 67202856.0300 41859602.5100 68660355.7600 22590309.2100 24555346.7200 27340128.3100 26901783.5200 23410188.1500 19676445.2100 19913152.2400 79343513.8000 32752016.5200 33987594.8200 58846861.7700 22360132.3700 27282581.0400 22274997.3900 29187445.9400 12555500.4800 61579812.1800 49765932.0100 46841196.0500 30731358.3100 34550390.1600 40972775.2300 27186526.4400 24042214.5900 12273826.2100 26908375.8800 56887116.6400 28222936.8000 18227314.2600 23471118.9800 20909744.3700 17925566.8100 20649135.5600 21850920.0400 15496019.5300 66341619.4400 51107557.1500 38712615.9600 15392831.2600 22151168.4700 38753692.8800 26323979.8500 22992602.6200 16797052.2500 Deoxycholic acid glycine conjugate 6023794.5820 36450408.8200 31796146.3100 36754802.2100 97758718.9000 28980478.5100 43577241.9700 62888547.5600 8510123.7240 6637584.6590 46139308.5300 17136073.3700 159725794.3000 35053040.8900 110762025.4000 110716112.3000 24015135.0400 303322121.6000 8469741.7750 7932138.7320 96805358.4400 63721750.9700 42918401.0200 289587366.2000 22037621.5600 108076598.0000 106826230.5000 57426291.4500 4135359.8300 60229181.5700 48214895.4700 115097750.1000 14606671.7800 65068624.1900 46002286.7200 23629460.2100 37426642.7500 4989012.7050 4299550.3020 35512130.3400 34679064.5800 33609041.2300 174229789.3000 32981586.4000 54399970.7600 43791937.9900 7292159.4910 8839207.4360 124340029.5000 50989654.2100 42453226.0600 29088554.9700 136682207.7000 52650257.5100 18238006.7600 32708555.2100 20463189.8500 15433310.1900 28337406.3500 37840254.1200 27896495.7200 68468376.0800 21359879.2000 14522106.4500 14176776.2500 3197796.9070 5819351.3270 48237222.0300 24860955.2900 33398139.7200 14878466.7400 57008102.9500 49883964.8300 14912735.9700 46690740.6600 5634810.6130 Deoxycholic acid isomer 1 22261391.9800 22821245.8700 24497892.6400 10979770.0200 10892819.9500 15879813.1800 6614728.9580 12656063.1100 20768522.2500 17041071.3600 10547463.0700 15524082.8400 15741674.9000 11611718.8800 11258991.9800 5596881.0980 24691493.4000 7223092.0360 7789506.0090 34561875.2100 27328776.6700 22585799.0300 11184668.7000 14320739.7400 16819794.9600 12234738.5600 13518869.3700 19281667.7300 15614323.8100 16279785.3100 15481097.7200 22642655.9800 16053813.1600 15887619.1600 6285151.0390 23721960.8300 6161002.6530 14137992.1800 28940446.7200 21151281.3100 19393094.6700 13772965.7300 14028711.1000 17530345.4100 7935720.0470 10010651.4000 12736890.0400 16108966.3400 15846763.2900 13914113.3800 14362184.7100 15986193.0400 15911855.6200 6082979.5500 22482445.6500 6749668.7020 7989984.7990 33783576.5900 29643886.4200 21714728.7300 14464980.0100 12593580.0900 17495265.0700 12193836.7800 14386641.5800 13521219.0900 19843269.9000 17630143.2200 13938441.0200 22644395.3600 11822176.9400 13970883.7700 10044950.1700 26727065.5800 11630087.7500 10002724.6500 Deoxycholic acid isomer 2 28627277.6500 26800063.8400 24713140.1600 12274292.5000 12850489.7900 16217240.2800 7148752.4050 17918664.6100 21781409.6400 20448700.6500 13832544.5900 22503360.2700 19296393.6900 13280664.7800 13331261.0400 6010363.5060 27196214.5700 9507147.3740 8669336.0420 41261661.2600 32042970.3800 23296588.4200 11734453.3900 14771924.2600 17044739.9600 10033770.2400 18240718.9400 20866162.3800 20160890.7000 17947179.4500 23563535.8000 24989308.3600 15169451.9600 17480166.8800 6506726.1400 26804204.2200 8560449.5060 12164930.0000 35561558.7000 24707539.4800 19787511.3700 13575428.9300 15721988.1500 16168209.5300 8141947.7170 14452385.8200 15133968.6700 19984907.6900 17892287.9200 20871148.7400 19109145.7100 14746518.1900 17298390.0100 6202483.2430 26082285.1800 7510346.7310 8972800.3270 41516924.8000 33624755.9800 21591693.8100 14984291.0500 12432077.5200 17100221.5800 9997356.1160 18889659.4900 15704465.6800 23971078.5900 19054266.2300 23100450.8100 27077095.4600 11190848.2300 14370739.8700 8527443.3350 29596219.5800 10548424.3600 11426765.9500 Deoxycholic acid isomer 3 30262580.5100 24761969.3100 25411706.2500 12848619.4800 11532403.9500 12920490.9700 8115550.2350 16184520.4700 21200510.4200 17681032.3900 12951029.5400 26504134.1500 14425129.6200 21088149.2200 13139755.3000 8087131.8260 27160209.0100 13248651.5800 13111077.8800 42134311.8300 29305600.1200 23961802.1500 12096872.1800 13726338.6500 13249143.3600 10253895.3800 16858030.4600 19965580.6500 17264295.9400 16590629.2800 27782293.2300 18122355.2600 23524784.2500 16985757.2400 9164381.9970 27419869.4100 12446948.6700 17084071.6900 35881924.9400 23900375.1600 20439724.1400 14482728.2100 13970530.9300 12784377.4300 8655076.8790 13648076.3100 15888486.4700 16904495.9000 16129339.1200 24257271.6900 13579949.6700 22936882.7700 16275215.8000 9054331.5720 26152656.4400 11723975.9600 14087387.3600 42254511.5400 31281699.2600 21968669.0700 15444368.3800 12008128.9100 13438746.0100 10147556.1000 17231813.2100 14996645.2800 20058497.3800 17844150.9200 27744706.7400 19711788.3000 19220625.9900 14502382.8500 11489265.8600 28822016.4800 14176559.6900 16776084.6800 Desaminotyrosine 28828.2165 7682.4833 78244.9777 7201.3384 15128.1478 14100.7360 95122.0814 53090.2301 53260.9354 31961.8222 60517.0531 8533.0636 22871.3739 35846.1757 21061.5104 69130.4808 16371.4986 10638.5142 71341.3343 10621.1426 20671.2291 12734.1215 14745.6154 15722.3379 119055.6896 14996.6919 223182.0869 12030.4885 59750.7870 45159.6534 8387.4669 51273.2633 12616.4255 37183.9862 15544.8589 30916.6760 8330.2082 69762.2547 3593.6768 12452.8093 9566.4251 14736.3749 30399.0593 18528.1314 22551.1335 39275.3080 26074.3396 38417.1212 10506.0993 31328.7092 14112.1377 13690.4379 20442.6469 26437.1298 18118.6489 72729.9839 15602.7987 33591.3212 16310.1884 36208.7006 25000.8402 169612.7749 29416.1483 34517.4231 20695.7172 56519.7250 75891.4784 22403.0669 30660.5152 14604.4968 26908.3201 50073.7012 21021.7647 18596.9790 25348.3950 70933.9555 Dihydronaringenin-O-sulphate 0.9456 45429.8126 0.1182 120767.1894 2038.4830 1.9885 13469.9871 0.1182 5.1173 0.1182 108453.9585 0.1182 1555108.4560 0.3471 4308.9211 191893.8578 0.1182 0.1182 4560.7200 0.1182 0.1182 2479.8695 269072.1139 0.1182 0.5461 0.1182 0.1182 0.1182 0.4122 0.1182 0.1182 0.1182 0.1182 0.1182 1993.8642 0.1182 0.5990 0.1182 0.1182 13447.7348 67369.7937 0.1182 0.1182 0.3399 1874.5745 0.5529 4093.1963 0.2364 0.1182 0.1182 1332890.8990 0.1182 0.1182 0.5435 1004.0546 0.8463 16160.6263 0.1182 0.1182 26453.1116 0.1182 4149.8921 0.4149 28452.6202 0.1182 2874.5862 0.1182 4817.2480 933061.2944 0.1182 0.6207 1730.3139 0.1182 0.1182 0.1182 14970.3047 Docosadienoate(FFA(22:2) 4443515.7860 2234684.6480 857740.9906 925483.4254 682314.3549 1074958.4860 2438139.4150 840754.0216 1560731.8400 876958.6806 1207497.8760 1549093.9450 959758.8383 1113799.3160 1287421.3140 455166.0724 821635.8948 1398152.9770 1753811.9230 2683341.1290 688110.8828 6558932.4980 623381.0106 382424.0497 1421700.3380 1263927.8610 467119.8748 220593.2460 2211405.2770 833201.9818 969175.4011 1026744.9290 696876.6712 2424841.5980 1924831.0070 558958.3512 2404453.3620 1284046.9830 1308390.8300 1809274.6610 380889.2005 840120.2182 635433.7250 1966538.5880 1453873.7860 1371240.7190 671357.1983 1686127.7890 998756.2220 625994.2405 641114.4704 557307.5232 701757.9885 823743.9313 2808081.4900 1800379.4010 897293.3191 5355363.3040 2448574.8140 2466497.4960 2138298.8040 3089319.2240 3049137.3170 1433185.2210 2425465.2730 3147208.6010 3576388.4800 3538491.6590 1744996.2290 3237933.1920 3541998.6550 4266878.0310 2842867.3020 3012091.9520 1956967.3550 4476078.6500 Docosahexaenoic acid(FFA(22:6) 328799.2271 122316.3461 93452.5443 55727.4771 109957.2857 4697.3392 437863.4529 149816.5364 45468.9285 25322.2340 132158.0661 42544.6914 212587.0939 42266.9478 68906.9750 99071.9273 107149.8616 59678.6395 319032.1191 36740.7289 79901.0068 63519.1037 79881.5932 13706.4361 151238.4727 15832.6880 14370.9553 11451.9585 65283.7747 12193.6759 104172.5652 18728.9428 15151.4332 63728.4673 55962.5054 115437.8201 77185.2391 39150.7241 62862.5508 207002.7078 106914.9631 27224.1131 9443.2524 41184.7154 52585.3316 172900.1240 141934.3266 96648.1404 16917.1330 63197.4300 96701.0255 104082.2482 77733.8077 118335.9208 46927.8112 114181.0935 126565.9469 268706.5087 89812.8959 120916.4123 100621.2293 250738.8312 79349.7333 27722.1499 53100.2367 97905.9142 99019.3530 35642.2640 67910.8194 132041.1359 109782.1651 156990.6330 12475.7434 202245.5355 123221.8023 60956.4312 Docosapentaenoic acid(FFA(22:5n3) 62392574.8300 40223280.8500 11727697.3000 14902691.1900 12826994.7100 18454966.2600 27782818.2500 12204320.0400 25821588.7900 7832776.7460 11899963.3800 35652879.5300 19650464.2600 13407301.8900 21343613.1100 6070544.4180 20016274.4900 20499973.5500 22343356.7400 51422760.9000 6657173.8690 70268967.2600 9260623.7750 9905494.1120 14284543.7200 10194796.4200 5507815.3230 3031224.2660 11605643.7100 5690568.0450 14742800.8700 11998505.9300 6254504.9430 26293562.0200 12386815.0300 12478409.0000 19126403.5100 8562761.6870 32756584.1600 21429347.8500 7094628.6650 19056861.1900 12525711.1700 35884896.8200 15197405.6700 11202773.8000 6305419.5520 13085516.0100 10679951.7000 15929151.0900 32343371.7500 10208427.7600 17867797.7000 21181710.0800 45039447.6700 21319982.6900 4349009.4140 86234965.0000 28938830.0900 26143746.6900 46324778.4200 79831875.6500 34027521.7200 21090506.5300 34653971.0100 21284346.2900 27083426.0600 27340658.5100 26984453.4000 40962146.8400 24779320.4400 47860749.5200 39336571.8800 60097953.8600 15606912.6900 20157492.1100 Docosapentaenoic acid(FFA(22:5n6) 73139295.9000 40947751.0900 20126276.2500 6711983.8190 7034794.7070 12586445.8600 22779628.7000 14262346.7700 30907236.5700 8785339.1730 12546074.7900 42496679.9100 18370872.1900 14549361.8700 22949349.0600 8117692.4250 17189020.0300 22068298.0500 17636986.9800 58212380.7000 8815537.0700 110273633.0000 4037668.1110 6192601.5830 12680833.3600 9614645.4730 8013837.5800 3173618.3100 13744435.3100 7110251.4850 14910651.0700 12573065.4400 7088235.5590 37441151.2500 16270737.3300 10276302.0700 29447945.9600 13070449.6700 34234082.8100 28213810.8900 17672628.4400 12246659.3000 8077489.7820 24420614.7500 11461350.8400 14587287.6000 9267262.3300 14252711.6000 11203052.4900 13738454.5900 33690419.7100 9510199.3220 22327800.8300 20180271.9300 34539235.6700 24748099.9300 12282176.9500 79226812.0400 37869902.0200 37280356.9500 26625690.5500 45721904.8300 30295370.2500 21243079.7700 40282930.1400 26790657.8500 26780246.3400 30018325.9200 20382225.1600 34102589.6400 23434554.4300 62816049.4200 44702327.0400 49982736.7800 20541647.4200 27614218.6200 Dodecanedioic acid(FFA(12:0-DC) 762363.4251 963399.6801 5387908.5510 1855453.3950 1808676.9240 1478529.5800 5883101.3590 2308333.4780 6110357.4520 1749944.6570 1956059.6140 1426300.7790 3670648.3550 1836587.3530 1647537.0570 2548269.9680 3676117.1690 3092784.0030 1052876.2250 3173490.5040 933475.4334 13290848.8200 612686.0268 1033521.2030 702179.7965 1177180.1910 4530910.1150 1186657.4460 1115837.6270 1212378.9920 2455458.7680 2633583.6900 668957.1916 2014568.5640 1127468.4210 1381772.7780 1275250.6230 1300570.3660 613187.9973 976192.6755 3446313.3690 2287693.3020 2111681.6200 2185464.6190 2826696.7590 3780488.2120 1129373.9850 1466854.3160 2594208.7870 2637162.7140 1974146.6880 1873333.0390 2174477.6340 3711710.1110 2798003.9200 789138.4433 1371262.9420 1783315.3700 1301277.6750 3395077.4730 5231573.2780 5194135.3060 2330587.9190 2850308.8820 9516161.3050 5621757.7380 4974324.1020 6858663.6780 3125032.7840 8074694.5580 1304127.1620 5030242.2690 10219451.5700 9957086.1940 2232407.8400 5540522.2660 Dodecenoic acid(FFA(12:1) 1482801.3540 758886.4458 492158.3048 292888.8360 22698.1250 494631.4023 1198707.1850 316381.7274 1815392.6490 361977.9484 299510.7381 562601.0641 747338.1530 296286.8251 564665.8841 345486.2982 386676.2327 1841058.2540 754333.1036 2064908.4020 370225.0244 2191397.9420 79579.9692 360153.4650 111199.7431 302463.3861 426518.3395 47462.8237 904320.4560 140894.4046 255851.8774 552166.9740 24407.0269 1377562.6010 395867.8394 224237.0835 1293790.5870 439808.6388 1210723.9970 233463.2696 467689.4309 228584.8197 708192.3640 1114327.5680 450917.6469 831904.9028 513274.9100 1025735.0540 587315.8839 549863.5160 2345676.2870 249125.6490 1063760.8670 1314086.3350 996585.3804 1264641.2550 594286.3799 3317839.6130 707788.4148 1310141.1310 1868607.2840 3129132.3860 945248.6567 1092549.6510 2513114.7740 1308007.2220 2466629.2100 2945620.7010 802010.8138 2701883.8480 537560.7681 2310160.1930 3005178.0470 1003018.0380 883304.5725 1721686.7090 EDTA 21317543255.0000 19634692988.0000 21009061026.0000 18920326132.0000 20121211639.0000 4839920958.0000 8760077721.0000 6131485424.0000 19693126399.0000 18124858990.0000 9358332964.0000 19325799143.0000 20402993841.0000 20975679364.0000 20237876342.0000 20805332040.0000 19386774303.0000 20532519367.0000 4554760997.0000 20773407504.0000 19640071226.0000 19259789247.0000 7734483672.0000 19410040445.0000 3688327670.0000 8179069004.0000 6988274403.0000 20327590272.0000 18073567564.0000 20753887518.0000 18980242328.0000 5140640949.0000 21073746977.0000 20035931119.0000 21560969172.0000 21244939386.0000 22615011864.0000 20952140776.0000 21340780446.0000 5716497294.0000 19484778491.0000 18628395214.0000 20388219861.0000 5612902817.0000 17445280629.0000 17332024297.0000 20785472674.0000 20716484107.0000 21051899513.0000 6195463344.0000 20249556561.0000 8911432794.0000 20455712303.0000 22170185831.0000 20266502333.0000 22614766690.0000 22482662580.0000 18947229389.0000 18488734300.0000 18871266465.0000 17512956373.0000 20847631896.0000 18533166384.0000 4840052140.0000 4320295895.0000 16115151581.0000 6018864940.0000 20517972973.0000 18900386535.0000 19097629510.0000 22664607940.0000 20161669836.0000 9345447935.0000 19862739952.0000 18930762331.0000 18613013649.0000 Eicosadienoic acid(FFA(20:2n6) 103681394.3000 51282401.0300 22810937.8400 19724319.4200 20167156.9000 27768122.1300 69615075.6900 18226936.0800 47320606.7600 15024975.1700 31777079.8400 46183082.5600 27265184.9400 26411807.3100 30863480.7500 14300339.6400 18397776.5300 29860033.4800 51095466.3100 83304249.8100 15801182.6600 175850488.1000 20153809.7300 13126433.0100 35505300.8000 30957526.9200 14534989.0300 5359141.5860 49289101.5100 21753838.3800 32161980.4400 28718811.4400 19187040.3600 57444477.8200 41858126.1700 18126742.4400 69058954.1000 29466110.9400 31610599.8400 43529322.7100 19748335.2700 23752021.6900 13586486.9700 48992496.5700 29287036.3100 25474146.9000 21817655.4900 29934010.9000 19426589.3800 15578038.3900 42253344.8400 12652173.6700 20593576.7000 26563887.4300 50738484.0800 40547325.2100 30310603.4400 117698769.4000 54101727.4100 58178766.6600 64283179.1100 111261831.4000 80565067.5800 51538543.4500 83181987.9100 69792404.1900 84331646.6900 91558925.6700 33891929.0000 75782170.1900 72655135.8700 115827144.0000 81946119.8400 101410493.0000 53371143.3100 94014217.4000 Eicosanedioic acid(FFA(20:0-DC) 136194.3095 178831.6709 542791.4961 296837.4363 277347.7218 280855.2280 131010.2121 163312.0162 584803.0089 562536.2085 115766.2887 334932.1265 383490.6571 359995.8730 111554.0030 190274.8835 245197.8057 263037.5772 220391.3243 206038.4993 348023.8959 415868.3642 233433.8916 339555.2128 256953.7261 169489.2493 248203.7728 737744.8741 440537.7591 211184.5712 219919.3385 423151.8935 406064.9482 148325.5510 129444.1359 183848.7412 265571.0129 308909.0208 250616.5756 278022.6510 379615.1306 350718.7985 250308.6947 248160.9435 174982.5469 82089.8314 565655.6686 493969.7007 249339.0317 267908.1001 391568.4090 500423.4975 91165.1612 107551.8878 172752.7452 313202.2666 250228.5233 148231.1713 398762.6247 386757.4375 384624.4845 239709.2086 339361.5093 265236.4635 191163.2475 512929.8061 566513.8462 220927.2235 259150.6689 481994.5502 336579.3752 6506.3983 214441.0077 128087.6802 347246.6017 249880.8222 Eicosapentaenoic acid(FFA(20:5) 20243405.9400 14179685.8200 12181925.9500 3806541.3130 3955313.7730 3915405.2490 8597756.7930 10504747.5400 10412397.6200 5202138.0530 5001828.2080 17697076.0600 8413441.4830 6246599.5150 11156895.2900 6223423.4360 10135601.8800 6933425.2830 5196769.7870 19940585.2300 7686589.4020 34952762.5000 4132960.7570 4441953.4010 3885534.2740 4772625.3040 6068686.3680 2576268.4660 6083175.6650 3602883.9870 6577107.5440 6813479.9230 3971165.5870 19987387.9700 9595916.0990 7864309.0720 8766420.0770 5163072.5060 13358135.2200 13247700.6600 14076911.6100 4535037.8600 4113122.2750 6407077.4150 5604403.1040 7640389.2340 4504914.2010 6017116.1040 4792517.0030 6879232.3980 10670013.5500 4655600.3040 14301472.3200 11352116.3500 14837856.4500 7323590.4820 6121778.3540 24850249.5400 15894125.0100 16159229.9800 6863721.1580 10346307.4900 6269346.3260 7583461.1510 16411201.2300 6873391.9240 8159778.6390 9264516.0870 8199144.8590 10397404.3500 6924688.0280 20894550.2100 18721976.5000 19743519.0100 6515522.7530 7766641.7940 Eicosatrienoic acid(FFA(20:3n3) 97556105.5600 61448487.5900 33552326.2500 20053860.4200 22151430.5300 26191431.5100 56360308.4600 26165984.5800 54210108.5100 15723182.2100 31509330.6000 65623442.1700 27594033.3300 23335370.8500 35893939.3300 18817107.4500 30626545.7000 42869766.6600 35402253.8900 109019302.7000 18955384.2900 160917213.3000 16166269.7100 16367187.7700 28532114.2800 25267493.4900 17071859.4200 7087903.9610 33058118.9800 22821681.6900 35826629.3400 26984059.1200 15827655.7900 92084152.3100 36049606.8200 23152509.4500 56390740.1300 28560374.0300 54514150.7900 48958183.6300 29708071.4500 28601034.9500 23535253.3100 46773497.4500 25634156.7500 27078933.3800 20651753.7500 27889301.1800 27603871.4000 28487272.7100 42645264.0400 16383727.5800 36873167.0900 37752561.4700 60756241.3200 39199199.4700 26689775.5800 144454530.6000 69545558.3400 57793895.8300 74716299.7300 103390439.1000 66398069.0000 57394222.8000 99756417.5700 48085340.5800 59170867.9900 97317280.8200 41241808.3800 71117366.8200 42813279.7700 113662786.9000 103108380.4000 114467485.4000 49720619.1500 60725878.2700 Eicosatrienoic acid(FFA(20:3n6) 14210517.3400 5542545.5210 2367347.6870 1175059.5660 1358982.0690 2226154.5390 7335721.2170 2346331.3790 5243412.3460 1531208.2050 3375005.5700 6462768.9090 2227358.6970 1846123.9850 2518273.2560 1448275.8970 3154842.0770 6214248.0380 3002873.0090 14502310.9100 1357979.5050 13055333.2500 1197495.5720 962662.4262 3330491.7150 3104366.7130 1399371.3810 363022.3690 2307772.4100 1407300.7780 2998618.1380 2108515.1820 1354139.6980 9953007.6250 2767735.1090 2396660.9000 2971979.0730 2369217.2670 6558234.8200 4664442.4760 1511625.3860 2847529.8850 1546924.4720 4487562.9180 3812375.2620 2427282.3200 1700359.1990 3272963.2760 2563445.7920 3086463.2520 3355181.6250 1332897.1150 3785419.0500 2871516.0420 9891241.2580 4039828.2560 2585264.2250 23377641.7300 7104520.1190 2353876.9140 9502523.2530 12592234.1100 8945720.7690 8320133.3920 12272422.1700 3336006.5320 6750706.4640 12309778.0900 4200453.3920 7613564.4950 3383182.5070 13354293.6000 11266763.3300 17667222.4100 4122428.8610 3539411.4680 Eicosatrienoic acid(FFA(20:3n9) 32624.8770 32531.1042 27381.1893 140433.1823 1534012.9330 2526579.1330 5733.6999 13456.1214 17484.0650 21362.3046 3848198.6190 17168.2388 5630.1969 38400.7398 2793311.2970 37020.6565 13553.7195 36143.5226 52620.0984 51816.7520 18187.3612 32961.0853 47169.6435 13861.4631 3575576.4630 14759.5389 15229.1991 428631.7604 31616.4970 23362.2716 74846.0605 16008.3875 15129.3122 18453.6022 76212.5065 23707.9677 69396.4482 11632.9285 46264.1399 45057.3128 1795232.3530 21863.3560 19456.3879 37070.0612 4268427.6370 30909.7949 53202.5088 27699.6493 16981.0648 14979.3663 39901.8852 14176.3190 23921.8453 48031.6860 27771.8555 29430.4545 5646.0563 73686.5774 48009.6203 414907.6751 23151.0438 35157.0429 92760.5513 32137.4452 20206.7167 95804.2860 91498.4704 39471.4047 4994075.9000 26412.0334 5738.3429 44778.6874 77706.1516 112937.5595 16803.5467 42170.8279 Eicosenoic acid(FFA(20:1) 110946214.2000 35504698.0300 20951149.8700 22384958.6600 19018371.4400 25118378.0600 77563644.6800 15890379.3700 39942020.1700 18249445.5900 26179366.4000 31707156.3400 18128636.4200 23398057.4600 23760525.6700 15449960.3500 12297247.7600 30165582.5200 45071065.5300 73359086.2000 13099835.1400 183664244.7000 18598951.2900 10697696.4600 36193652.4300 38070325.7400 14268732.0000 4803772.1020 61063247.5800 21691985.4800 37561193.9000 25829784.9200 18841171.5800 54418887.3900 43546710.3200 14900906.0200 66232243.7700 29050189.9500 18621313.7000 33566290.3000 17526417.4700 22226250.9800 11904487.6000 41844766.5800 34592258.6500 26843806.0700 17387768.3900 34143286.9200 15388553.9400 13620941.1800 22763391.2600 10968541.1900 12280070.5900 19084758.1600 36574321.4200 26242405.7500 24355743.0200 110155442.4000 40405207.6300 53678512.5700 69272160.2400 102925984.4000 83613591.3300 51541690.0600 75165521.0800 74419288.3800 105215369.3000 89226188.0500 32587860.4000 75547264.4000 81317601.3100 112218256.3000 65025019.0400 83125449.7500 52857177.8700 124842598.5000 Enterolactone sulfate 33333.9074 768466.6329 515559.0219 663820.9433 1365994.4670 975287.1975 1066913.9920 197109.7786 32380.8761 18786.8152 825046.7358 127515.8059 183362.9219 705621.1026 314549.6505 833384.8233 3180.2223 211868.6024 294447.6036 5666.7436 377968.8083 754509.0423 268488.6180 694006.9491 604964.3581 216680.8558 376591.9973 7329.5507 80571.5768 253355.4176 52730.0355 239606.5204 533529.4147 61527.9033 83011.4408 14621.8040 193215.3701 263760.7266 3208.2796 816011.6411 1324849.6460 307056.5966 1859517.8490 1657680.2930 342862.5820 1225365.3350 50332.1738 22159.2012 309898.8453 88366.2742 429437.7613 796781.3720 174158.6472 141821.6381 18164.0037 290728.2249 416131.0219 18036.4195 891719.2690 2911107.4610 352545.6672 1820556.1450 1370091.2510 205511.0599 1149546.8730 44401.1847 92101.8859 417764.4355 206742.7925 417164.6404 1781924.2880 349393.2078 116665.2279 29427.0521 146195.5785 502942.9328 Erucic acid(FFA(22:1n9) 7713893.8440 3487595.2990 3921794.6620 3301431.7130 3242182.2850 2097019.0150 4205636.0210 3882697.5310 5143954.3910 4191132.7300 2731364.7320 4240114.5510 2369082.8040 2444839.1410 4371996.5040 3196992.8740 3080733.9120 4158047.8870 3694608.9490 6335529.2680 3226561.8280 10070623.3100 3344471.3290 2704067.1310 3850934.4610 4880189.3390 3130101.2010 2271627.3900 4335760.8610 3402171.7340 4056077.3490 3380617.3620 3197014.0490 12147549.0900 3491293.4650 2943704.1990 3686240.1410 4642330.9750 4164810.8890 3083887.8750 2280646.7830 3685294.8050 3408472.2680 4316054.6600 4351814.0660 2971858.2230 2546383.0180 3296805.1100 3810033.7700 3483150.4850 2399518.5530 2998682.1260 3611777.7260 1812320.8910 4840271.8360 3554952.5130 2358149.0650 11560552.9400 6316620.0560 5096848.8720 5254117.1540 4216381.0290 4806902.9130 4224345.7900 4994503.9860 4059047.1590 9481871.1410 7532360.5020 3433999.3160 9112868.7500 6217467.4750 12492234.3800 5640050.6670 5810839.8030 4762376.9840 8759886.2810 Ethyl beta-D-glucopyranoside 336612.8802 719672.4953 19656.1177 225580.5288 27167.0406 305194.1559 96475.8047 10092.4312 18241.3369 18731.4192 109011.1495 12445448.5800 21135.5598 10579994.4600 17843.1370 82594.7383 80756.4622 208013.3988 529047.4915 511859.2093 2329285.4500 17120.1916 63910.7143 37942.8323 1683208.0530 380273.2985 39629.7632 2232197.7610 1257801.7260 1686039.2910 693504.3396 157429.6464 1792410.2830 156247.0908 416755.2307 1393955.3910 2345173.4290 1577541.1080 624745.2289 978847.6020 180699.9397 19220.3134 31266.4912 1685159.3270 17110.7778 36030.8511 353994.6976 2179138.9370 2493906.2300 21309.8463 90411.8104 2208761.2880 112839.3312 120138.5507 1978117.5020 2830120.3340 2419527.5890 906006.6422 1037571.7480 83494.5924 23913.0251 0.9529 5051081.1330 132768.2811 21821.8469 330317.6967 2693059.6550 4525891.0250 958646.7362 326861.9774 2963431.0680 177679.2622 679372.4979 3305357.5550 5439481.0010 3764108.2930 Ethylparaben sufate 0.9238 0.9238 2478.3427 0.9238 0.9238 42915385.1900 0.9238 529640.4299 24754.8476 6716.9873 0.9238 5.1906 0.9238 0.9238 0.9238 0.9238 2.0032 4188.2709 0.9238 6333.2566 20946.1390 0.9238 0.9238 14882.1693 0.9238 7941.4538 148990.6833 130614.6288 0.9238 381786.7047 12792.3943 4224.3543 33283.7029 0.9238 0.9238 1.8475 0.9238 12733.4133 2.5257 0.9238 0.9238 11484.7259 36807.0836 0.9238 0.9238 0.9238 0.9238 0.9238 1674591.9620 1.9487 0.9238 94016.1290 31292.9366 0.9238 0.9238 0.9238 0.9238 2.9110 199274.0242 0.9238 36513.1583 0.9238 0.9238 0.9238 0.9238 0.9238 0.9238 0.9238 0.9238 69631.0351 0.9238 0.9238 11753169.7300 0.9238 116795.8601 0.9238 Fluconazole 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 2670.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 2832.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 2102.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 Formiminoglutamic acid 5644940.7780 4157964.3490 3280134.9750 3206703.6860 2297457.5580 3555932.6380 3346048.0740 4576773.0750 3627579.6910 6403707.8890 4310593.5800 3532475.7680 4133285.6980 2428119.8860 3604181.1900 3147432.0400 4507016.9400 4496721.5740 3957714.8790 5995374.3830 5640403.5200 4640865.4080 6397927.4290 4526624.6080 4531669.9630 3444449.3070 4576531.4260 4374913.2090 4726605.0300 5886090.2560 5870256.4460 4521960.1890 4675525.3310 6345208.8240 4802338.1010 5683505.8870 3413127.9990 3830029.1690 4483169.8790 4338137.6230 5740785.8430 8057157.8850 5773572.5570 4055379.8220 3195780.8540 4234039.4710 3403787.9870 3187531.7340 4611671.8050 4867043.2460 7091029.7150 3376088.1420 3376136.4260 4407679.2880 4525831.1410 4879199.9400 3592704.1590 6605081.5720 3909753.3350 6367593.4420 5192263.4990 5101819.2760 5102482.1610 3373951.1630 5755145.2500 4222652.2730 4956061.2160 6093264.8590 5446164.3570 5451297.5740 4858999.9200 4904749.2440 5614365.4730 6556305.2150 4610351.1420 3758698.8390 Fumaric acid 5538634.4950 4341835.3480 3028711.9300 3900972.7010 3677330.9610 4017745.1860 4978078.8600 5254314.8400 3534752.8380 3177009.0950 3860312.2900 2723242.5450 5052184.8000 3662890.2780 5501943.8620 2868098.3100 4341207.4650 3918068.8090 2919306.2400 5655962.0420 3921877.1970 3443416.7870 3302073.0620 3506743.6730 3888866.8590 2752905.9930 4897233.1850 4903313.8230 2729349.0170 3842395.4890 2906371.9600 3592587.4400 3220984.5880 4749420.0140 3644210.6030 4030589.3490 3438029.8050 2613238.8910 4307945.9210 4645913.3740 3475127.6940 3009089.0450 3658902.4840 6969586.9680 4559528.2270 6804658.6380 4059271.5520 3211069.1920 3902880.6770 3688802.5290 4983047.2710 3480083.0570 5598541.5190 4164730.4250 4415718.4820 4046004.7580 3300543.6170 12818056.2100 8928434.1150 7168137.7060 6986367.2320 5309055.6580 5383542.1110 4334977.1830 4981144.8210 7011522.0880 6503290.9510 5691038.7610 5416694.3510 8218079.4330 4976592.8000 8005805.1010 5896978.0850 4594738.3970 5300301.8300 4446276.8630 gamma-CEHC 2540998.9700 4136904.0470 7233719.7310 4688217.8470 6572338.2050 4793005.2860 4207188.9860 4786798.9730 8475355.5170 5164183.1070 3133933.4020 9823898.0050 8385732.7780 3346485.2970 6923050.1940 3063101.6460 4718104.8710 3869901.2820 4096415.1370 4512586.1310 4987325.5030 4390658.5170 2226813.4010 5584298.4300 3753380.1920 2415481.3070 4111534.3830 9408216.7140 3638637.2200 3720719.0310 5535051.3950 7268006.3700 4985950.6770 6062609.8760 2846212.4730 2678880.1890 5430356.1970 1946214.3340 4741401.6040 5438526.6750 6238737.1580 3369707.1460 3422222.7130 4465075.8440 2981538.2660 4145471.7720 10718757.1600 4509122.4400 4719284.6430 5693414.7250 7024917.1480 7559064.9410 7824370.9030 4243255.6320 3611150.7020 6570501.5500 2082458.6650 4808411.0500 6387695.1350 5816596.7500 3187896.7140 2786357.1410 4381223.5610 2440243.7620 4124639.8260 8299593.0830 4551364.3860 4787036.6780 6387646.3610 7855858.7890 5581085.6840 6184374.7480 4395954.0850 3442191.2140 6205804.4930 1934349.8170 gamma-Glu-Gly 1852934.4070 1328636.6760 1531479.0080 1643960.4140 1131950.2320 1161760.1500 757433.9964 1067731.6940 1757581.4470 1906973.8390 1087510.6750 644854.5802 1320488.4600 1262461.8240 805859.7606 1229599.4170 766569.3649 605295.4474 2603184.8910 3746539.7760 1881946.1240 2205570.8620 2156684.4140 1754370.4910 1493407.6790 936898.7975 1007648.0640 1806641.0520 2168268.1180 1530755.4280 2070517.6880 2243939.0800 2704451.6100 1446377.9870 1710783.5490 2981370.2000 874648.5863 731298.5735 2357320.3310 1308461.6980 1293369.7500 2365791.3570 1193390.6440 1533024.6750 1205566.7440 1059511.8740 1218955.8380 844545.5463 1891574.3140 1694409.6090 1866938.0720 836428.0356 894183.6573 1099871.5480 1346677.5100 1865856.0270 1127378.4150 6930087.1020 1540522.9000 4592215.2240 2098971.6620 1991410.5780 1099818.8940 1842529.9180 2496923.3670 1128428.6320 2593150.9510 2588668.6750 3531904.5330 3480285.1470 2836491.4860 1807456.3830 3323095.3230 3625369.1070 1296399.0860 762246.6957 Gluconic acid 83056676.3100 64605028.0300 117257371.6000 84392795.7800 85783500.7500 111444606.4000 92757741.1000 117042211.1000 82989651.9500 105296255.8000 88570133.3300 120838014.7000 101127691.9000 85304562.1500 86825429.9600 84463963.5500 124649543.5000 124298528.5000 90374829.9000 158095543.0000 92230373.2600 168713279.8000 130735348.3000 168238617.2000 149587050.2000 117130402.1000 236537549.0000 129872274.5000 104829383.2000 148253842.6000 208262256.0000 156442977.4000 127506712.0000 145099252.7000 103624279.5000 144403914.3000 110950583.7000 169294630.8000 121791339.0000 86543965.9800 105140338.3000 111145489.3000 112898987.8000 129966895.8000 85784110.7500 142016321.2000 93593416.3100 97849363.3600 137612478.3000 156008115.9000 105248725.3000 120289880.1000 119149521.8000 114865564.4000 109622355.1000 96699782.1300 93114433.8500 188222091.3000 115528993.8000 203141544.6000 156637922.0000 156300540.6000 185389771.9000 144517499.0000 229455476.1000 94283246.5600 202950014.6000 227235746.3000 272043229.8000 167514152.3000 150256618.0000 201608980.1000 212198331.9000 224490926.6000 162143271.3000 162068029.4000 Gluconolactone 9469884.6570 8140899.0610 7291392.6960 6873132.0320 5330728.3600 7426980.9550 4582579.2500 7758216.9300 7099476.3760 9032310.4210 6267393.2990 7521473.2490 6525310.7900 6593616.4680 7628084.0700 6085514.9240 6632057.2050 7381305.8430 6726842.0980 12799491.4700 9222348.1370 9748997.4840 7107859.2150 7687197.4770 8384670.0960 6143982.6530 7867063.3370 10197832.7500 7710078.4180 8506911.9680 9989179.1380 8255571.6150 8967378.9950 10457675.5100 7286106.2660 7835584.7880 9259849.8340 11712946.1100 9256217.2990 8163009.2950 9196291.9510 8298526.4220 9369512.9740 7413023.4650 4515118.0870 5965600.4760 7124218.6570 6145444.2760 7590495.5080 6911487.7690 7371501.8300 8553029.5380 8635610.3020 6229642.5830 7297850.9660 9042493.6310 6920027.9250 14438187.9300 10054776.1500 12922182.3000 9584935.9060 11318407.3400 10368168.2400 6344871.6860 8344462.2350 9575631.0940 10868899.0800 12421708.9600 11003208.0000 10083053.7700 9998904.3080 13667173.7100 9671323.9290 11703190.3100 11927892.3000 11575163.9000 Glucose+myo-Inositol 138720950.8000 137722311.5000 168361238.4000 144400638.3000 135057703.7000 152193285.3000 154517156.7000 137627812.4000 148356617.5000 138724284.0000 146835792.2000 157057379.7000 125384240.9000 148977117.4000 158829735.0000 136862323.1000 157598343.1000 177841338.7000 143567148.3000 223105910.0000 157657612.3000 155684800.3000 163522735.8000 204228981.9000 190991601.9000 155863865.6000 173795559.0000 152654493.3000 155065833.9000 177888521.9000 171652864.9000 159397501.8000 184509985.8000 174650324.7000 161368755.0000 168567874.5000 177389755.8000 197466496.9000 154001502.8000 152400832.9000 144385443.0000 143312221.6000 169630522.4000 171186057.9000 121597279.8000 149779984.9000 137938244.4000 146651889.5000 163600422.3000 144234105.0000 123137041.0000 177286178.2000 168573761.9000 134517498.9000 145553049.7000 158943036.2000 150042929.7000 210198728.7000 174832803.4000 203969372.1000 192806911.2000 232362766.2000 198493809.7000 153909950.3000 169450066.0000 145522037.5000 193723848.9000 221372848.9000 165705219.9000 170242863.3000 187981094.6000 232452081.9000 159379967.8000 205078478.6000 219197721.3000 216921245.3000 Glucuronic acid 14299337.0300 8774390.7750 16161941.2700 7541121.1100 6016987.2350 7346459.3760 8750205.4860 12628883.4200 9805065.8960 15053112.9300 8278721.8880 15663736.0200 12032541.2900 8737616.6660 10199921.5600 9244662.9870 9115084.5870 11800695.5400 14425129.8800 16779109.1300 11913393.0300 18754247.6700 9197997.0650 14661842.5200 8775318.6460 10077731.9100 11087431.0600 15925307.4100 8884565.8040 11593215.6700 16227377.0500 16416274.9800 11608547.1600 16153243.6500 10753041.9800 11125172.6600 10090623.2600 15797747.8600 10634803.0100 14561290.1300 15945874.5900 8871340.8120 11029372.3200 8245420.9450 5973638.5280 8169477.4050 12040808.8200 8148396.1050 13689123.8800 16201072.1900 14120026.2400 10064221.9200 9931925.4970 9573879.5040 6225728.1580 9417184.4940 9921964.9000 18269012.7800 16358208.8200 22883252.5200 12182656.7200 14924461.8800 10247732.2400 10457350.9800 15640718.2000 13618316.0400 17863948.8800 18470441.4000 13918508.4600 18444845.9500 14801157.1600 18348211.7100 21049650.7300 12934284.4900 12112163.1000 14239493.0000 Glutaric acid 16033166.3900 15102599.0500 18609205.6600 14779299.2500 13593668.4400 13955219.4300 16888018.9800 15118886.9100 16233821.7500 16623067.9200 13772656.6500 15411995.9800 13378806.2600 14314632.1400 16785465.1000 15687892.1500 18143014.7600 18053971.8000 14434280.5900 21182898.7300 15512421.4200 16224712.9000 14641514.3600 17241250.2000 16128025.0200 16239808.9800 16926774.7600 13081622.5700 13802540.8500 16437672.6500 15481174.0700 18036404.7500 18428777.1800 14488970.9900 16469937.7200 16713037.1600 15039305.4900 17318969.5500 18135719.9700 15075951.4800 16538429.3700 15954044.4600 16633852.9000 16443621.4900 12283542.6100 15382101.8700 14800377.8600 13584503.3900 14069399.5900 13569289.5100 13058423.7100 16910263.3400 18872999.2400 15100248.7800 14781047.7400 14228465.8900 14960025.9800 20680064.1000 17535166.0900 17320690.3800 16152328.3000 14761529.7900 15625445.6100 15161622.7900 18546688.2300 16598404.6900 19610348.7800 18347924.4500 15829925.4800 16404394.1500 16675582.5900 17474471.7900 17040037.2800 17768033.5500 15254146.7900 16890541.4500 Glycerol 1039289.5970 360226.4466 416701.0283 374517.1749 304311.6038 249218.2569 798937.9539 862778.6774 1330265.0450 786306.9996 587561.2358 848641.7147 650650.4995 281641.6502 364164.8399 279339.6356 1010581.1410 1407517.0220 639471.7008 1362741.4370 884224.2091 2129621.7060 575563.7890 868225.0404 725018.0475 882504.3564 873413.8360 349906.5879 1393656.3880 695037.2172 1276163.7530 761510.1203 557017.7979 2332163.4610 798929.1880 1578695.2040 1670870.9910 1277498.5550 539637.0535 1057744.1200 577010.1521 1039342.9240 715447.2473 793182.0096 777379.1637 890881.0344 436373.3306 629325.0625 765630.2116 620911.1711 872713.5168 803861.5838 720473.1018 497901.8733 1317613.7470 674168.7458 1033215.5900 6879863.6470 1772244.6580 1798720.1320 2446585.0130 3081422.8310 1611142.9690 1136667.7030 3578567.3560 1976721.9090 2382298.0590 3533481.5510 1468547.8320 4504194.7610 1101530.5200 2965859.2100 1547346.8080 3794521.4680 2065144.6390 2077163.0890 Glycochenodeoxycholate-3-sulfate 10494168.3700 9267971.1870 14900529.9600 6104301.5850 3758811.2860 4737005.2510 26353481.9200 11937025.4600 8867917.5740 11771533.2000 3361159.0910 7044637.7760 5275616.6670 14038473.4500 12753449.4300 9810429.0140 13679943.9200 8161850.0660 14865819.7400 13135008.5900 10510182.3800 32990410.1600 7897603.0600 8296963.1010 4183121.0410 17809484.0200 14021262.1600 8910721.2100 17882126.2900 4976411.0390 7588038.4200 8262068.6380 8506557.7090 13976389.9700 8157576.4670 15018261.9200 4256599.0620 8223099.5160 10885187.4500 6909230.3270 13745715.8800 4148447.2240 6502013.5150 5141203.6620 13700122.4400 12064335.0600 13549227.0800 12050247.2300 6870855.8820 9391052.0100 5865719.7970 8531690.1720 15194280.1200 10715399.1400 13740858.8800 2693982.5650 14615700.5700 22359364.6300 6334536.6580 14353775.1000 9859679.9860 7978261.5990 6626290.0330 10697483.9700 14203124.8800 6065225.9050 20332795.4800 5558125.8510 9289127.2190 4883250.7950 10942838.2200 12322646.0000 10828530.0300 15086719.6100 3570280.3070 14621791.0000 Glycocholic acid 11064572.1800 12725092.3100 24554278.1700 36763178.0500 29872192.2800 26603829.0300 24397452.6900 40044261.4200 1775903.7490 88424019.1800 18363892.3800 12541902.3300 44492564.2200 29531064.9800 58387012.3100 35415191.8200 57615388.8500 120007587.1000 19518040.3000 17509089.2900 31468096.9900 47531327.0000 43419657.6200 68828982.1100 15718036.9600 56284529.1900 77451446.8600 15662435.5100 53744903.0400 18942406.5400 24281943.6000 31919592.3100 7817418.9510 19273996.6200 16386420.7500 53099725.5900 19903563.8100 7278966.0480 9833227.1630 13465279.6200 31155204.5800 20860022.8600 52903978.4900 24920919.0900 34385533.9400 38328742.9600 3534168.9900 114749778.3000 40704714.9700 30169428.5000 13085532.5900 16777098.4100 63834315.1900 24941587.1500 48854445.8300 9423978.8590 43489584.7000 60510105.6300 8854103.6750 31848020.4900 16010701.2300 14557366.9200 12394654.9500 7349032.0030 10837591.7700 1182533.8180 80890334.1000 26524286.9400 13450715.1900 8948791.7820 10605193.9900 22536452.4100 17823714.3300 32358225.2800 12108405.3400 7794572.8160 Glycodeoxycholate-3-sulfate 5613721.4990 12578394.9800 9186493.9110 3134493.3070 8540479.4280 4482148.4630 21293532.8000 4426913.8720 9944705.9240 573048.3909 5864503.1040 4319038.6910 9717934.1950 5810125.7280 19670712.6200 12385164.6900 4719673.4160 10831243.1100 3809468.7220 4169736.6190 16534506.5200 25995903.7600 6279807.3890 20083746.1400 4417049.0700 12665329.8100 6548017.8890 10269575.0000 1083184.6210 8243798.8870 6310143.2830 18041770.6600 6439591.8430 19226552.1400 15146425.1700 4625912.3750 5073105.6840 2132161.4130 3376783.8210 8487640.3440 10238529.3200 2762584.7430 17283993.9400 4746306.9510 8118381.8620 4840342.0970 13337679.1500 738688.5427 10650422.5400 8296705.2720 12824468.0000 4188820.0610 20499811.5000 13741935.8700 4520874.2760 3411543.8500 4215999.1130 5083817.6790 9996507.3510 13120710.1300 7827215.7350 20496863.2600 6710447.4770 7757993.5740 6741615.3800 7590987.4900 1489085.3580 8747676.5670 8052009.6330 10378755.1200 6445157.8080 20343085.6000 16817759.2400 4977354.0800 4907555.3880 4772626.2190 Glycohyocholic acid 4352945.8640 4363176.5680 7445226.4330 6042677.2790 6553927.6440 3554605.7320 7216207.6760 3667077.1710 618379.8787 6127535.6140 712497.0120 2903031.5620 3283370.5190 6557093.3950 6010782.5320 5601017.6700 13410570.3700 8089992.8550 8251714.4630 4441657.0500 5991395.4490 15697574.3500 7689400.2800 12965779.3600 2125420.0080 11996677.0800 13228393.8400 3401851.2500 7371190.4680 1502347.7160 3008727.1560 3430644.1770 2045466.1920 5669425.9890 3320468.9520 12388627.2900 4553569.2100 3472045.0390 3064407.7490 2383828.6830 4251301.0150 1997018.2720 7803853.5830 2842253.7160 5076892.0500 5567691.3760 2027658.4060 7477544.0010 2141735.9540 3346042.9870 1771244.8180 3338571.1220 8961515.9770 4536923.5280 15617893.5500 1890847.1710 9218790.2260 9599764.4090 2293773.5830 3255856.9900 3553327.2770 7136446.8110 3682240.0560 3075872.7460 5435211.0610 522403.4648 7933523.5870 2158304.6090 2811566.2990 1575641.5740 3356351.7840 4835999.4890 3553098.8110 13504676.2900 3102721.5660 4753341.1820 Glycoursodeoxycholate-3-sulfate 14489152.3000 1881004.0340 2520422.1090 734239.5027 1286080.6870 553820.4259 7807178.0460 1536427.8440 4227271.1790 2230788.1800 1111768.8590 4643124.9270 785168.5374 1836742.2730 3090760.5260 1444231.9210 4529568.5310 946360.1573 1611186.3280 14895980.9700 1940511.3760 3787994.1240 1326822.7140 1603105.2430 499279.5271 7196544.0390 2019266.0540 3898539.7460 3185291.2370 1246344.2070 4499444.1930 1208902.9510 2070351.4150 2096405.9730 2013231.3470 3509502.0690 652397.1799 748408.5037 10946275.2300 2418990.1590 2227906.9820 733507.5812 1675662.0640 528774.5915 4316880.8260 1332555.7020 4412486.1900 2393912.2530 1718774.4990 4937220.3210 1168014.7830 1368218.3330 2072306.6750 1860284.7740 4153127.3790 544551.2466 1387603.9060 15344873.2700 1953711.3370 3037831.0310 1585482.9270 1836290.2110 693236.5315 5000377.4570 1686488.8680 3425786.4140 3909416.1990 1758814.2680 6220043.9240 1149123.6710 2921558.8450 2709743.5690 2880410.7210 4674572.4450 540968.7271 1208270.4910 Glycoursodeoxycholic acid 343807.2879 1736234.8170 1264430.4310 2814565.6190 2680545.5230 1372935.8630 2351676.0200 1320636.9710 1199392.7500 96325.4529 3437830.6710 879033.8062 4094925.4410 1823165.6430 3946599.7390 3134352.2570 4166.0249 2950871.0470 100941.6176 240055.8008 3430114.3540 1726805.1790 2480085.4840 4976943.4390 1414401.6640 1589719.4180 1660098.9990 2500435.4950 36721.5939 3221328.1780 1311492.3430 5369558.6680 521150.2281 2800097.5930 1506563.2010 24762.9937 1555428.1240 158134.4335 234789.8253 1403528.3800 1125814.1600 2224592.8420 4689071.3260 1832509.2060 922550.2437 899736.8377 820583.1427 153902.2700 4522084.0450 1110859.4110 2796792.2850 871800.8229 4753969.1700 1637313.2170 13236.9379 1076794.3690 193255.2638 227955.6796 1137156.8470 833488.4680 1472502.7490 1985628.6490 1490952.1840 440667.7548 562420.7339 322469.5193 68644.5081 2423532.7570 919850.7809 2161234.5130 430516.0330 2128045.4430 1728641.4780 25420.4037 1408663.3630 43432.3149 Heptadecanoic acid(FFA(17:0) 61384982.5000 25658733.5100 15972999.5600 16439066.7900 14818927.2200 15411772.4300 36690454.4700 10995024.4600 23964999.2300 9851286.1730 16833334.4000 23122287.8900 18956318.7300 13518560.6200 21066036.0700 17624326.0000 12808657.4500 23756646.3900 32824833.3000 43295038.1700 10716627.3400 132384295.4000 13706706.1800 8775381.0030 19028585.6400 17125739.8100 12236350.5600 5322754.8210 32253627.0100 15185617.2300 21804256.9900 19803066.2600 11301633.7300 32882204.7700 26220584.6200 9123250.1560 36631282.1400 16250915.7000 18359226.8000 25666238.9300 20995236.5100 12328009.0200 11141045.1600 30281495.9900 15732031.4200 18195245.7000 17267953.4800 23590624.9200 14123718.7000 14911772.3600 25176447.4500 12618930.9500 10923591.0400 21935057.8000 25952225.0500 20522230.0800 21678312.4500 59645033.0700 22262158.4500 44988090.0300 38580864.4100 64471115.6700 45025283.0400 30113363.9800 38121393.8400 32779003.8100 43623187.3000 50359016.1200 25935528.6400 42131977.7400 44445792.0400 66395697.3100 47936350.7400 40727857.2700 30650974.3800 58520186.5000 Heptadecenoic acid(FFA(17:1) 36775565.3800 10459606.9600 10366132.9200 6896929.0360 6159329.5420 6883699.0920 22364096.4200 6286399.6510 15155685.5700 4928726.2560 8616515.6480 17196739.4700 7642802.7130 7178806.7050 7075744.3190 5429418.7970 6782392.9880 10127113.3900 17123267.1600 36597578.6700 5521412.7070 86429875.5300 6055572.8420 4305769.5210 10222943.1400 11281490.5600 8726385.5960 1883143.0530 20968547.0400 7223101.6670 12686357.5600 9838049.2050 6793510.2850 28268864.8400 15398052.9500 7985410.7380 27392509.5400 12496944.6200 9068299.5370 9398065.9210 10058863.9400 8420022.5200 6055758.5980 13181021.2200 8995130.9110 9436019.0510 8930038.1040 11987586.2500 8370139.9680 6058907.2100 11848263.4600 6643711.6280 7193511.4890 11045159.0300 12558652.6500 8242071.7960 12512408.3400 43961199.9000 12926061.5500 20256157.9700 27970714.5400 37632908.7600 24795076.5300 23110719.7000 35437808.2600 17058364.4500 26585581.9900 43670648.1800 15612533.4500 20903730.3500 20935192.3800 47257346.6500 36041272.3400 35793343.2700 14702832.4800 29949496.7300 Hexadecadienoic acid(FFA(16:2) 1976830.7730 1022314.6640 597016.7703 295253.5808 322910.6626 386957.8573 965063.4600 618294.5086 1081332.2270 250931.1564 754071.7327 1355109.7470 410835.7591 482970.0727 436941.2484 208826.6706 527603.6732 1055656.7950 1039909.6930 2367736.1820 392581.2296 4439661.2650 382244.6356 359210.2183 643968.2540 569681.2803 444249.9466 21208.0011 967297.3489 391608.6139 633105.3903 712743.7428 344035.1051 1554145.0920 611665.6033 546707.1778 1290066.3910 773250.1646 913361.1443 1151191.4270 502037.8044 620972.8883 414620.5519 871824.5977 623786.1631 441182.8023 427607.4101 792050.3585 770562.6496 601161.1103 887526.2599 553881.4901 759252.6312 421584.6855 994728.3615 630639.0746 470744.3798 3509374.6510 1251341.0270 844163.4592 1672580.8610 1823569.3360 1346640.2310 1132202.0250 1868398.8820 1087884.4890 1650560.2270 2202172.3690 1304917.1480 1563578.1720 1163064.6760 2107860.7150 1746494.7850 2339273.1810 1128208.2740 1357149.2440 Hexadecanedioate(FFA(16:1-DC) 254470.0936 349558.3841 377903.1787 212100.0603 172459.9647 187298.7193 112018.3844 479511.7074 172322.4469 291411.3393 179470.4694 456295.7212 196833.4968 149115.1864 211492.2708 144265.1619 251111.1612 569409.1943 691443.6790 191082.5882 466648.1185 316981.9991 160134.4363 146943.9174 130081.9333 119320.2949 182560.9739 264868.0919 284409.1059 363838.2820 271476.0769 147651.6482 207678.3643 131759.6110 156594.7302 110398.7924 188725.5866 144881.0035 164943.7290 1118342.0290 458658.2308 211798.4896 175316.5338 111283.9442 123033.2584 196233.4758 222725.7522 214144.1297 927221.9568 486892.0536 197262.1589 181387.1576 117038.7944 145979.9744 130361.9915 168844.0462 134869.0782 242649.1928 698275.7552 278920.1045 194250.8339 177267.1650 139948.0114 121384.0556 148416.8491 218041.7984 189853.1075 648439.1023 377497.0324 187596.3241 67070.7144 120026.7561 118789.1240 204814.8177 239152.5903 182405.9204 Hexadecanedioic acid(FFA(16:0-DC) 6653851.2550 5288689.2730 11689664.6800 7275134.7880 6523219.0090 2640553.8470 18250007.5800 6618335.7400 8398983.2760 7036552.1110 7168959.6280 7238811.3330 11883355.7600 4856398.8250 4586854.5130 10403184.8700 8768622.7890 14651143.8500 5110226.0800 22118255.7400 10572060.6100 32833665.7200 4984036.9630 5879524.7370 2778848.4180 10602962.3900 15130282.2200 14055265.5500 10542203.7100 11343189.3200 13483805.7200 10652651.4100 4834992.8510 9588428.0550 9018829.1110 6578296.0350 11665476.1000 5609804.7670 6393407.3080 7836121.4360 21227069.9600 7831719.1290 5417042.6480 4639470.7600 13514853.2300 10295554.7800 5342718.9810 7701886.6260 13533323.2100 14433776.6000 7355473.2320 4386884.7740 8357786.7170 26063345.6900 9132764.1980 5520614.9740 7920977.2390 31651141.7800 9207456.9910 17033889.0200 14258171.3200 13064093.3400 6444978.6640 8870293.6410 22434570.7900 22931904.8200 27964341.7400 29874692.9900 13160431.6000 27439352.7200 5754920.6650 20752259.0400 24657856.3000 32630552.9300 14286740.9200 29021044.6800 Hexanoylglycine 86826.4883 124798.2725 17202.7458 8275.1777 54025.4938 43052.9426 95600.3969 94087.4324 103161.7273 103694.0545 56021.9578 113342.3590 97098.1555 19970.1570 11597.5935 54822.4948 26711.2950 91298.6956 38288.4920 57133.7090 172315.5236 8594.1265 4131.9866 26321.2599 11694.2223 27766.2251 90111.9766 56576.6217 20310.9859 65974.5953 90599.0747 62263.8934 86083.0213 106207.0384 81554.6413 99959.3917 29269.8357 109611.1670 78872.1647 15079.9838 21994.3671 19390.3420 142795.6649 102755.9756 18855.6822 49980.1499 23197.0557 26580.1899 114254.0341 47281.2724 119427.0015 121524.5245 48873.8200 134199.3373 93386.3145 35834.4300 73495.0669 80759.5266 145803.7359 18129.6211 110958.6152 70894.3562 90573.5583 24774.4361 90075.6634 20297.2346 91470.7049 83138.9786 24453.6999 32518.2060 85843.6967 47914.8792 78859.2679 62367.9866 89103.3245 32821.0667 Human Fibrinopeptide A residual [2-16_ DSGEGDFLAEGGGVR] 58061.8664 4177.5130 106031.6516 16198.6347 18622.0247 9702.9476 22419.2699 71241.2305 553767.7406 53245.2455 13976.3493 10007.9509 4961.2271 2960.3190 4965.3421 5351.2006 94484.3364 15277.0743 17161.8726 159900.4010 51387.2195 44396.5788 19837.8382 32009.8637 31073.0120 74203.1549 68457.7419 86467.3507 35977.1504 11089.5452 24030.6350 65123.3136 446872.2078 48633.1855 6384.9932 93954.7305 50232.3782 95602.1002 7091082.7500 1300669.9980 3258909.6030 69319.4413 1256511.1680 1332524.8050 549479.0723 135310.7645 1983016.4300 82315.5779 157274.1795 184541.1526 29559.4153 578315.5937 221730.5388 77476.2265 12619.4842 122977.5990 18974.3894 35211269.3400 3564708.8760 6477976.7720 25010.6120 6037590.9850 662399.4537 577477.1166 1738618.1080 615392.9681 1206093.9710 332601.4201 1760278.8130 4824688.9030 4023758.7250 452690.2559 879822.6667 368020.5875 265541.4939 46141.3051 Human Fibrinopeptide B residual [1-13_ XGVNDNEEGFFSA] 115309.7347 26029.8646 50363.8447 20059.2915 49808.2047 40364.9811 41070.8441 27680.9650 94731.3553 39809.9170 39186.1053 40513.6294 58517.3471 37784.7955 47887.6064 53282.2403 53420.8139 44002.7761 65229.9573 109564.8948 34939.5881 102946.9106 34646.9517 13981.0307 63367.1067 47906.1612 58801.7323 57735.6791 49339.9585 74603.2715 64440.0509 61570.0091 152475.7816 220327.9283 100114.3362 93021.3745 115189.2555 87022.5931 2437105.8530 1025219.7760 1787438.2840 58274.9217 514082.4551 611351.1051 332560.8817 84036.1481 707043.9135 68866.3775 109423.5596 129579.2627 68548.4887 189544.9115 92012.2153 117785.8494 52842.4834 75817.2715 17809.4749 15710900.5800 2096707.5810 4378861.6950 88232.7307 3296517.6400 384408.4038 297858.3143 518053.9164 314407.5501 573388.9256 341092.4617 1061749.3830 1806644.7900 1433686.0830 247162.1768 285710.8728 138229.0112 157982.9283 49144.0024 Hydroxy-CMPF 9716716.3750 13638959.2000 8564789.4990 7158938.0850 12102351.3600 4523973.0460 9804801.3980 39073926.5200 8960539.7380 11547338.9300 6276629.5190 19227485.1800 5633595.7840 8531323.0520 5620634.9560 7201007.2040 11345816.0300 13722297.1400 8410959.6150 18220760.9200 18267737.9200 8542795.0690 6979636.6390 18436171.6600 5478444.3250 13556086.5000 46788759.9200 6088516.8330 8672734.3580 8261983.2590 19365757.3300 8378534.9820 11843081.0900 9108193.7450 8200640.7910 12728863.9500 11386395.1500 11815454.4000 13696742.7200 14681771.9800 6945085.9910 9082676.5200 16333859.1600 5685364.3360 8807906.5230 34327155.4800 6027443.4880 8875332.5660 7386453.0670 18138471.2300 6156311.4260 11222594.8200 8264171.8520 8610349.7180 8553677.8130 9939585.2960 8496550.2860 17357619.2300 20024668.6000 8320583.0600 8644074.1790 14252913.2400 5664067.7410 14447528.0000 48635768.8900 7515819.5580 12811189.3500 8718539.8010 15276457.3400 7735847.8850 9311046.2540 6674593.5850 12223018.1800 13221733.3700 12762092.5800 8691286.3120 Hydroxyhexadecanoic acid isomer1 990133.2595 654623.4572 354882.0364 240615.1460 309270.9002 320019.8387 455512.4863 526225.2713 830472.1327 449024.1866 442765.6899 828182.6585 324031.9788 331244.5512 404447.3496 404868.8268 551284.2908 692332.5058 626509.4267 1266956.7210 488319.9857 1126122.0190 336122.2956 523181.7728 438021.5954 610861.8251 543648.4665 335809.4573 846263.9843 612195.5414 900349.4258 706003.5847 596577.6978 1071771.1570 682828.3725 722647.3404 1097168.9650 477635.4590 484984.7848 721407.9759 359221.5306 369543.6045 442049.8995 664790.7897 415216.6719 477370.1454 380421.3944 563483.9288 653002.7303 524671.3787 507185.8131 552225.5457 481443.6019 481206.2150 773044.2251 461743.7997 486903.9882 1567336.0970 1057723.7140 595690.5729 732527.1025 1003727.5700 618786.7958 604153.8907 911381.6437 449213.9298 738603.2859 1109301.1300 1009100.4490 697737.1581 600085.8153 991189.1230 1306498.2590 1595406.8730 659794.7901 786590.2366 Hydroxyhexadecanoic acid isomer2 8775.2897 1771.2892 1505.0592 6282.3919 18534.3821 2781.2567 3482.5535 972.9166 24840.0723 2877.2484 3653.6224 22260.4957 3680.8646 1469.6934 2495.1527 6707.5790 1377.4992 13831.7985 1569.4166 36897.0733 1646.0116 2552.4865 10082.6994 20653.6036 1558.2866 1364.2496 2009.4896 2507.5135 2825.8595 34668.0360 1263.2123 17607.4120 41138.2316 7581.5984 5909.9028 30699.6292 3466.9819 2345.5982 33959.5535 1567.6789 1770.8048 4708.0250 1053.8240 2006.3888 10423.7334 2827.5915 4644.6017 16879.3927 2702.1594 27633.4796 1723.8360 3109.4565 944.3544 85520.5734 1630.8160 1316.1924 1263.1786 1873.9550 33203.3619 1803.5551 860.6121 13588.2247 7213.9966 23575.8875 23334.5868 1128.0169 3086.5907 29031.7583 81016.6185 9087.5140 2984.5165 1430.2767 2539.3088 797.7833 28768.1619 6131.1378 Hyocholic acid 1245209.4040 2137345.9550 1252229.5270 655285.9418 1372167.8900 990279.6801 712261.2161 1027522.4970 2056323.8450 875610.0371 931446.6744 1042702.7000 1239545.4340 668185.7627 800876.0475 43725.4060 1265483.0700 1232394.8800 529785.9077 1454254.9520 2494557.3690 1119771.2530 569707.2870 1237520.3530 898635.2921 827639.8121 917711.1188 1674083.6660 965371.4873 963851.8144 1044578.0240 1718935.3210 730396.0768 1219688.3010 482392.5964 1284386.3770 980540.2958 681674.3319 1569765.3460 1454631.4310 1129927.8480 855471.2833 1820523.0190 1087907.5610 942889.9202 774647.0239 1210535.5160 736247.6927 973496.4006 1237745.3200 1392945.5130 870971.2345 1194843.6120 590622.3275 1234468.6870 741944.1934 565609.9099 1564285.8190 2968633.2010 26176.9547 863867.1681 1142436.4420 1050844.8360 1019759.5610 1032131.9030 1083502.1960 1166180.4340 950071.6068 804672.0758 1747645.1040 634277.3725 880735.6267 808910.1130 1634937.4920 958437.1800 537345.4766 Hyodeoxycholic acid 11272908.9600 2871257.5870 5538274.4580 8376517.1880 5622225.0400 9158741.2810 9274959.0200 6084597.3370 2364903.4450 5115089.6780 1231371.7430 4368925.7480 1878270.5310 3019269.0430 9613631.5420 2674780.1410 2657821.9650 2861021.3640 920393.3785 21268568.4600 4292134.4370 2770073.2310 887569.5710 3263865.9420 904414.1070 9032609.4180 2758516.9440 1740701.4980 4317596.2380 2116371.8910 5958026.8650 4214844.8240 2823990.5550 5177560.7190 3145838.4640 5205953.4460 1869415.4440 1878229.1710 3949633.8150 3483160.4880 6313630.4770 3590593.2380 7888135.3670 2825411.5900 12711513.7200 11131686.5900 2379668.5240 5984886.7510 4170933.9100 4420995.1040 4270082.7480 10198385.3900 5235615.6450 5920626.6250 5228585.7150 1447409.7230 218264.1560 17211066.0900 8993903.9080 6529182.0660 2390549.6800 2741329.5530 2110467.1010 11456742.6400 5786577.0280 1874965.6340 5018221.9690 4605421.5290 9432001.7480 6156925.0530 5171825.2350 7611985.6520 12375354.3800 7784683.3030 1259303.0450 3119726.6400 Imidazolelactic acid 11874531.3900 5855680.1650 7656788.9070 7410365.2970 5014772.2420 8682092.2010 4159756.8890 12150288.4600 7255573.5490 5258581.0390 8812536.6010 8957679.9870 14331951.3500 5752060.0540 6550460.8930 8999219.8980 8720905.3360 10175005.6600 8754381.3220 10263752.4000 8148563.2500 8550093.2620 7743673.5280 7095886.7920 9025854.8680 4607990.2160 12069220.1800 8683731.2080 5874432.8810 8442797.6530 9997952.6060 15284569.6000 6999337.9640 8283276.2460 9257746.5140 9988554.2200 11914967.3100 9709066.5470 10902795.1100 8252868.1540 8065204.4510 7438333.4920 7051806.6880 9844000.4800 4703515.0310 13479546.6900 7221270.3540 5118281.6480 9477293.7740 10241250.5500 16588032.9500 5863254.6290 8518620.9800 10478488.2400 7675018.1870 10801958.1600 9525702.1070 16436886.7000 9888130.1480 12785810.1400 10640392.7200 10660588.6000 11937843.0900 5149115.0100 17998560.5300 7590401.2900 7976112.4360 11231583.2000 10114357.0400 22603258.6200 7702701.2250 9955915.3700 12169384.7400 10851191.4200 14321331.8600 9175193.4720 Indole-3-pyruvic acid 1050578.6090 2027695.2230 1883965.4130 2584233.2950 3816349.0400 2535151.7980 1872071.8780 5433505.8050 3851766.8420 555541.2080 3771036.9990 6407133.7570 1509458.2290 2328618.1790 3159065.6910 2842652.1710 2941104.8940 3292410.4400 4004285.1190 3360570.2730 4238852.5600 2546857.1500 3897017.6540 3389135.2940 4076689.5230 2885489.7320 4790515.3650 2803490.1940 2292217.3540 4974989.2120 6998364.3880 3972633.3430 2733613.4400 1086887.0370 2850275.2780 2431985.1610 2090643.7180 2602541.7620 3176557.9620 3440894.3690 699279.5947 748532.7262 759314.3948 1566434.4700 3725501.4640 2968142.7560 2200251.0690 2037551.9070 4030619.6160 5219333.2740 741424.6523 3422320.9720 2517533.2790 3678843.4950 2413872.7500 1096856.5580 1698434.0790 2842788.6640 5564045.0620 2011078.7870 2532712.6100 1296250.1170 2544763.7500 3274587.7500 3385753.4620 934712.3652 1585166.6390 3236606.1610 6613126.6130 2073172.1320 2104869.7190 3136276.9260 2559220.7010 2085855.9650 4279364.8210 2805205.8040 Iodide 3718487.9160 2454406.7420 3355788.2130 1996218.4190 2210417.4900 2043542.0420 1856654.3650 7629860.1780 1373557.5510 3283610.7020 2042880.5700 2567414.6460 2334975.7440 1597365.9030 3735826.9930 3250479.0190 1891388.2670 1560247.4670 3255468.9470 1556809.8240 3045347.8510 4705626.6140 2593756.6950 2562365.2620 1940158.1410 1800766.7690 3355995.0440 1584889.4400 1981579.1410 2404670.4770 3378444.8440 2331912.6490 2857987.4450 2933172.1240 1598758.2890 1595825.8900 1682268.1000 2669967.0460 1367861.0210 5220562.0770 3105225.2980 2499703.5310 2568395.6820 2344545.7670 2476955.8630 2746730.1920 1715979.8010 2399553.8420 2661561.9590 3301281.9210 2880184.5870 3698042.7100 2423373.3320 2331313.7940 1640975.6760 1327716.4230 2081940.4240 1494636.0460 4304435.7430 4071233.7450 4219743.8230 3502651.2000 2862232.9210 2401646.0790 3038444.7530 1084952.6570 3322681.5600 2669831.8840 3830537.2810 2137324.9130 4480593.5740 2908971.1600 2519520.5390 2348375.8720 1594853.1830 2707132.0190 Isooctadecanedioic acid(FFA(18:0-DC) 3469960.8110 6574174.9770 5089690.8110 2174367.0860 1726474.2770 1908940.7790 66340.7897 6048239.0020 3450136.3110 4688659.2340 2266060.6670 6072865.7250 3866516.0580 1484815.2750 2386477.0570 1783582.5790 4882490.7170 4094012.8860 4931453.9100 3043639.5170 9595203.8830 2964886.5870 1532524.4160 1312779.5150 1157146.6820 927366.7480 2640111.6490 4010253.5810 2196372.7460 5694289.8830 4140950.5240 3075105.9580 2356955.3610 1258430.5330 11317521.5600 1902182.1090 1693986.8540 1568303.6710 2347168.5620 8430339.3550 3780400.6590 2920603.4170 1723511.5050 1404187.9490 6340.5917 1483185.1720 2583368.6200 2318768.0290 7106348.0700 4889090.5870 2418765.2410 2481894.2080 1471193.9410 1418449.6800 2508167.3790 1623115.2900 1390845.8330 2912120.9700 11665905.4700 3721013.5220 2822340.0780 1035388.7820 1088531.1580 970256.1569 2938694.5730 2782234.3040 2734042.3800 7207166.0390 5027707.5290 3374977.7520 1854065.6550 17660210.9800 1985883.9970 2274664.9780 2465821.8050 25229112.7700 Isoursodeoxycholic acid 73801.6683 938595.0301 455645.0659 257146.7752 686257.2697 744993.9827 233398.3642 448934.2437 545528.5890 31146.1480 277128.1054 446824.5336 233968.1187 634317.8823 188205.6051 721571.9780 136007.2048 442390.7893 143204.4575 206003.9364 735234.4674 319335.8608 87377.2201 1031881.9150 306070.9278 164136.9732 356574.1573 240686.3054 34195.3222 175058.5554 110344.7809 294206.8932 288660.5770 205063.8469 699174.3268 163402.5037 250423.9412 158370.2127 106343.7368 1295939.6340 756202.4108 381165.1661 2092924.1670 602037.3060 279851.0074 587730.8875 285041.7774 13028.5160 252159.0695 260792.7669 245350.9413 299614.9527 279451.7690 689038.1659 144318.4704 497679.6666 45367.9254 155591.3982 1359640.4600 502439.6225 183679.1232 1973374.5780 469182.0463 136193.0698 361193.1518 220425.2684 32090.5031 195253.2948 215050.8051 255769.8850 250008.2130 221359.3223 592351.6676 195947.0723 259795.2168 56036.6813 Lactic acid 712511934.9000 573037570.8000 534248902.5000 469604409.5000 667834926.8000 755803268.6000 627609876.9000 854529648.3000 838278285.5000 605880742.6000 650033879.9000 432056134.7000 668110833.7000 625475077.3000 1401075646.0000 655737072.6000 800093928.7000 605806589.0000 458332847.2000 783891253.6000 539339757.1000 564078120.0000 625312441.3000 586171151.6000 697272111.1000 517073988.1000 522630333.3000 574635930.2000 423406242.3000 712013869.2000 429765318.6000 584980943.4000 877683355.0000 622400031.9000 513371000.5000 710030034.7000 529888654.7000 479217658.9000 837634939.5000 834834332.0000 859635656.3000 639704477.5000 792651480.2000 779302773.8000 824067994.6000 879728972.1000 563637665.6000 605893336.0000 847105368.5000 706185307.7000 615944115.7000 764490335.3000 1219831734.0000 771923675.9000 921067496.1000 754375810.9000 672684778.1000 1294150125.0000 966493522.2000 973272928.7000 798674925.5000 821291588.6000 680218401.9000 575698577.5000 665875745.0000 687633617.0000 556167919.3000 664677880.1000 619614132.6000 759646379.9000 611473097.7000 934800847.0000 681236454.9000 699332813.8000 641933378.1000 751357714.6000 L-Cysteinylglycine disulfide 6182294.7250 3920771.0720 8631595.3060 9285331.2130 7512067.4570 9234950.8770 10374368.2700 10223427.3700 6790602.9220 4846674.2110 7681649.1690 12830538.0600 8934038.6190 11628368.5700 8753388.8100 10589376.0500 10733694.2900 9005373.5170 5777406.8890 9447823.7350 4177553.0870 7575600.2940 6467273.2750 8037810.1420 7056875.9300 8379088.9610 10161834.8000 6790709.7370 4116574.8380 5854243.6410 10196343.4700 8487779.7410 8014394.1250 6719078.3830 9500429.5960 9269373.8020 9321068.1210 6333757.5760 10710226.7400 4645199.9750 5803284.5780 5066209.8840 7713766.1680 11260082.1000 8760241.7310 10996973.1800 8200977.3540 5492367.9180 7540637.5210 12263160.3600 7808855.7460 11276383.1400 9943423.4840 11721602.5800 8267971.9700 6332034.7260 6885695.9340 10636847.3900 6075163.7310 7657410.2690 8171958.1810 9462199.1260 8562966.9350 10219857.8300 10488375.5900 5759440.4210 6997359.1420 8419191.0840 10465955.1800 9643568.7900 14100274.9300 10165025.6100 12214189.8900 10968642.0000 7515442.0040 7032103.3870 Leu-Glu 304858.7134 160226.2568 409702.9545 195776.6531 250191.5252 295988.6571 198336.9188 333908.5341 266358.6955 236650.9559 254471.5786 273385.1063 209876.8379 305372.1722 290748.1742 265091.9870 374989.3078 383406.9865 347689.9275 512547.3213 354126.1634 148685.6302 292793.4771 363781.4657 212256.2208 366718.0043 281618.0645 124450.6656 472477.5519 423515.3092 417158.1911 364871.1470 468568.2713 226396.7627 267078.8809 293312.2404 95927.4591 176180.5083 410869.8585 150384.8597 320697.9361 241483.5040 222686.3707 469937.6348 285730.7108 282580.4955 45870.1249 207656.4457 365969.2944 374725.7237 97843.3112 308372.3100 265768.5937 388324.3946 319605.5499 80397.1123 284145.4106 594872.9198 246267.5155 338486.9749 394758.3721 268812.4593 443433.0302 256241.5015 283671.6988 121791.3594 434048.4632 315918.0999 786927.9250 428962.4603 298001.6733 312659.6982 218454.2767 429153.0452 301379.9138 468349.9452 Linoleic acid(FFA(18:2n6) 7550431575.0000 2971481082.0000 2156912118.0000 1068640074.0000 1069011159.0000 1395894709.0000 3551871377.0000 1567110869.0000 4774874967.0000 1211281816.0000 1753997655.0000 5455625955.0000 1575357752.0000 1500526312.0000 1708952582.0000 1050484906.0000 1206367242.0000 2582760969.0000 4130464538.0000 8744478908.0000 1007359119.0000 14074762403.0000 795416206.9000 1444954104.0000 1861506639.0000 1814946071.0000 1235066185.0000 524755188.8000 4215526387.0000 1305377422.0000 2930678152.0000 2925879725.0000 1233649181.0000 8566786361.0000 2663338590.0000 1285166801.0000 6534672100.0000 2546988526.0000 2286522687.0000 2786712889.0000 1124199213.0000 1320680976.0000 1523600964.0000 2725036051.0000 1215318983.0000 1304386604.0000 1938532411.0000 2371613132.0000 1551349620.0000 1726333787.0000 2976817685.0000 991073735.6000 1695353734.0000 1319273664.0000 2002568440.0000 1916642713.0000 2042691966.0000 11498736568.0000 3805946379.0000 3077553330.0000 5957873220.0000 10022023788.0000 5136699495.0000 4643426237.0000 8933460504.0000 4795098917.0000 6775724981.0000 9552674781.0000 3052291673.0000 6894110967.0000 4565135883.0000 9275381575.0000 7709980613.0000 7672424073.0000 4979912204.0000 5351191059.0000 L-Valine 300730479.3000 228884824.5000 432342078.7000 333287582.6000 307117550.1000 324223778.3000 360219687.7000 477513369.9000 276400545.0000 338134963.0000 360816853.3000 340327779.4000 360074305.5000 258419233.4000 339428020.8000 351456274.5000 427860000.9000 513674304.5000 304143660.7000 447194411.3000 374729429.8000 294378151.7000 389954202.6000 362654085.1000 334781132.5000 414220774.3000 384298412.6000 253051086.2000 347409524.8000 425611818.0000 448178425.7000 439754888.6000 432541518.0000 364271918.8000 341215881.3000 426990873.8000 300110595.4000 266488622.7000 419241868.8000 283411912.2000 365441372.2000 375710188.2000 328271044.3000 445057602.3000 303074533.7000 385287024.7000 268046735.9000 281911251.3000 395332024.6000 465264928.5000 308445839.3000 377941248.9000 423879660.9000 426834261.7000 362989258.9000 295455942.4000 307516592.4000 332989967.1000 299737947.0000 282206689.3000 401829936.6000 285243468.0000 317511069.3000 263486357.4000 315833302.7000 206467942.7000 308018153.7000 297002992.7000 389848194.2000 411731002.8000 247238945.6000 279356331.2000 347235734.9000 327368855.8000 311202092.2000 262123495.9000 LysoPA(0:0/18:1) 67465765.0900 77374678.0700 51197.6085 77553747.2300 76845015.9300 70599527.9000 52690812.1500 67114573.2700 82504960.8800 74515182.6900 72676871.3300 85424633.9600 82471267.9200 71174732.7200 64405455.6900 68892245.3500 64252331.1900 64471635.1400 66527941.4700 75093904.2700 83968939.8600 73123115.2900 70960916.7700 62223670.9100 73961744.1400 84408440.8700 67131145.3600 65587876.7800 77741110.0900 90476837.8300 75729840.3900 70314764.5600 61720166.1000 73610362.2500 68225356.1900 60487987.3600 71533814.6200 70325189.3400 82709667.8000 75542891.7300 53439141.8500 65315325.4600 74087242.0200 76364459.8400 98428243.3000 76322528.6700 69906094.3700 82976143.9500 92313769.3900 81364970.8800 61318722.0200 68048896.0900 73294154.2800 63074163.9300 97765341.3500 90880625.7900 72121256.4200 80787977.6900 92437000.6100 61169505.7500 49363615.2500 55413390.3000 55401254.9300 65893534.4400 50455255.0900 59365135.6200 82623006.2000 80783393.9800 86925700.3700 77723227.4700 75096176.2700 66218225.9200 65111956.5700 64607769.8100 83420178.9500 75482751.4400 LysoPA(0:0/18:2) 34371280.0100 42426616.6300 31308416.7000 26857515.0800 25044194.9900 21977826.0100 18308778.9700 56274905.9700 69306825.0800 50907492.1400 50943015.5600 59586896.8300 34112958.0900 28027730.2300 24536121.4600 38616780.3900 33277678.6000 52198186.7700 38901139.8700 34342295.5700 63668085.3100 22693221.1200 32545983.1600 49980967.2800 26270517.2600 47200593.5200 47639556.7000 49582169.5000 35687463.8000 68244879.6500 64678012.5900 56795734.0000 48346345.2300 33553223.2400 29944766.5800 37983650.1500 30426691.8100 34421958.2500 39276183.1000 61431295.5400 19384222.4700 36252304.1400 30114713.5000 31815851.0800 32913687.6400 31635887.2200 36599191.3800 40508389.8700 66856078.7400 60206348.0400 31484521.9900 52150685.7100 32871418.1800 34105391.4500 29823591.5200 33043500.1200 26103166.5500 40924497.6700 66018908.8300 18777261.4500 42989576.1000 23526408.0200 30516258.3800 28886236.4300 30914664.2600 26873543.0600 47343512.8300 57407271.0200 37208147.8000 45358770.5000 21962707.4700 16554449.4400 30766460.2200 30655217.7000 52946218.7800 21081856.0700 LysoPA(0:0/20:4) 5111460.6570 4834625.5550 3987520.1670 7044131.8300 3337915.4010 3956591.4120 2400683.8030 5750329.0840 5818696.0530 3865390.6380 4104924.8490 5560625.2800 4255890.7650 2930746.4190 3908058.9560 5892974.1780 4197316.7320 3723024.9830 3451409.4330 4502804.6690 4418883.9950 4599773.5200 5170839.2240 3726690.4080 5116877.1630 13018.6598 5042388.0980 4235361.2700 4419148.7300 4341691.4170 15395.0866 14699.2130 3587550.7070 5569841.9950 6074737.9630 16053.9074 4535627.8310 2894113.9300 5101430.4360 5203286.6930 4071068.1910 5046515.3320 3535750.1530 6439389.2760 5839179.3190 5877524.4540 4649089.5550 5296895.6440 4210459.0790 8515.7483 5551679.9460 3792688.8910 5373981.1360 7109983.8670 6614775.4570 4973166.9050 3235661.8430 5215394.4070 4723355.5730 4222544.1190 5077.4816 2403136.9540 5308412.2160 3490554.1680 4279591.1550 3401376.5220 4225815.6890 4036325.7640 5249945.2750 4589404.3900 2936208.4260 5236869.2480 4139324.0290 4380444.0650 4396927.7150 2563141.3030 LysoPA(16:0/0:0) 903508253.3000 1016069047.0000 733049553.1000 765958151.3000 914445039.3000 885291116.2000 681333590.4000 781091408.5000 898143011.4000 740279295.6000 909866374.5000 855780653.3000 802536387.1000 869087548.0000 694968775.1000 962516423.9000 654010832.6000 708674179.7000 846848603.7000 776541615.6000 824104946.3000 911890178.5000 757744395.4000 669830055.7000 861644203.5000 895485467.8000 661156612.3000 745449963.4000 865141007.5000 864608292.7000 829767585.5000 691654097.6000 634118605.8000 844109723.7000 786841811.1000 635143839.4000 931095452.1000 748808154.4000 864781687.0000 985829505.4000 740095165.1000 692715427.1000 764703585.0000 882101168.5000 1138996561.0000 1003350904.0000 865062181.2000 1087345905.0000 980894336.7000 883088653.9000 738380454.6000 697488442.8000 769180395.9000 902110386.7000 1165473747.0000 1050448616.0000 790868902.6000 933686694.7000 952452318.2000 656071930.6000 591710197.7000 570672183.5000 811674810.4000 644770740.9000 593952330.9000 651065038.5000 834770515.9000 866876919.3000 1025736893.0000 856278373.5000 773343735.7000 658036608.8000 643669329.6000 626953488.1000 883897025.0000 842092103.5000 LysoPA(18:1/0:0) 273432119.3000 259800451.7000 150117244.7000 203971368.9000 184059983.3000 180320321.1000 150803000.5000 225338112.5000 254744787.2000 203239120.7000 263621172.9000 223739841.5000 183530335.0000 184914068.6000 167724615.3000 220178260.1000 167955552.7000 186735962.8000 219122249.2000 169537928.8000 244238755.9000 200289557.3000 207067085.0000 167742807.6000 201300512.0000 211308628.7000 172117354.2000 173277966.4000 212849235.2000 223088920.1000 210818128.7000 154409918.4000 161668475.6000 195396415.2000 210919760.1000 191395916.3000 193949039.5000 173071856.1000 204559677.6000 306155686.2000 166703648.0000 182547904.7000 166323667.5000 216583910.7000 236103705.3000 227901058.2000 249700939.8000 291003995.1000 255919116.1000 230927578.8000 193886147.0000 174060840.7000 173254331.4000 236700336.9000 274934371.4000 248277201.1000 214198841.7000 211685967.1000 287760410.0000 133333814.3000 176607890.6000 155404090.4000 206038051.1000 132327695.6000 143914712.9000 181340661.8000 202660962.7000 237678441.6000 261068301.3000 182590106.0000 200360674.3000 166015850.4000 136576233.7000 160397019.4000 176896424.1000 181178187.0000 LysoPA(18:2/0:0) 511048493.1000 516511671.0000 249339380.8000 361370423.1000 319749506.0000 302088430.7000 255043331.1000 470797216.1000 497408563.0000 405662491.6000 570809871.0000 450579991.7000 420923336.9000 306159698.6000 332026039.2000 495678934.4000 263098031.8000 379116344.9000 516508957.7000 283948746.2000 491357365.4000 335198742.5000 434553491.1000 391016642.0000 376762380.1000 363547859.5000 356995361.1000 402886457.6000 464001232.0000 492519596.5000 491913645.0000 436485611.7000 379300358.1000 271230907.5000 395756567.3000 328762705.2000 428929121.8000 271309018.6000 324472991.2000 709504540.1000 275958794.1000 276991341.3000 250081402.8000 432591860.9000 414745129.3000 407317921.9000 523730321.4000 545164510.4000 530025064.5000 478105878.6000 443437701.8000 388511235.8000 272425300.1000 442751335.2000 377961983.5000 492369444.1000 367397972.2000 319508166.3000 499756350.3000 240516085.4000 345435867.0000 308190860.8000 415859737.2000 210914011.5000 244835475.4000 348917185.4000 356602229.0000 432026658.2000 521920512.5000 343922760.7000 371250959.5000 241156112.6000 233763439.3000 234625417.4000 377424549.8000 297690347.6000 LysoPA(20:4/0:0) 55359019.6900 41471826.8100 31137334.5500 51074454.9400 29835355.3000 42185346.6900 32225461.9700 43413178.3500 49251941.0200 34239876.1800 39759692.2800 44942245.6600 45891530.1700 31861554.3700 44997600.6600 53626907.6500 36226511.8200 34517441.5200 32022418.0900 36723471.8000 35561152.9900 44353648.5100 50316288.5100 29795024.9600 46436196.0400 40151983.5500 39483007.6900 33422236.7500 44033825.2700 33027222.0200 44396927.0000 38376708.2100 27097636.6800 41765110.8000 51575939.3800 41936456.7800 40589355.0000 24498365.1600 39505964.2000 46694587.9000 37912911.2400 41375185.0400 30167642.4600 51226081.5900 51490826.8600 56354492.2700 48593823.0300 52752218.4800 37127151.3800 49142659.3800 49632354.0900 32182905.7600 40930600.6400 56805682.9400 54240010.8300 50416124.3600 31909047.4300 42773068.5100 39157194.6700 34088457.1000 37378742.0300 31343655.0000 46714552.5900 28534594.1100 32795523.1800 38485189.7300 34562325.6500 30765244.5000 51912472.0200 40146814.0400 29769075.1700 42974042.0900 31487046.1900 36975509.5100 36028399.5400 26740531.9300 LysoPI(0:0/18:0) 13340773.9700 8016528.9570 9538033.4790 7402943.3670 5990252.5490 9110740.4850 9739316.4490 9354851.5240 9985801.8160 10753093.1100 6872897.6510 7353491.8270 15303612.0800 8079165.8000 8095377.0490 8552662.3920 7407591.9200 9001408.2840 10733948.0900 8405096.9520 5685791.1290 22106298.9300 8851774.9650 5720095.2820 10321790.5700 8751254.2240 7514251.3480 6750926.1650 7756241.9830 5594259.3540 7773667.3230 8607880.8520 5852502.6510 13563912.5300 9182399.0740 5580127.4250 12254238.0100 10228227.7600 9856816.5020 12772940.5800 15290750.8700 8553895.1480 10174240.8800 13868701.3800 8782555.3370 15197635.4000 12094292.0300 11648923.5000 7231551.3080 8191332.6290 11395718.5600 6334915.4930 7275246.4340 8822074.8610 11235387.9000 14749706.0400 12193224.7900 17928320.1600 10930002.9400 14009727.7000 8183074.0760 12692655.9700 12021493.6500 6779505.8170 10335708.9900 9944689.0030 12394562.4300 10597117.2000 8531890.5120 16775129.4200 17903653.4200 10832811.8000 8566344.0340 7782079.8170 8325350.1140 9789470.8340 LysoPI(0:0/18:2) 2352898.5600 1564723.6580 1459980.5990 824867.5422 959976.3388 1022809.9170 896798.0872 1763409.8520 2425742.1930 1239561.2760 1043846.3350 2371240.6800 1319236.8370 1584291.8810 1385627.0970 885247.6633 865186.8695 2857412.5370 1732476.6800 1411052.9350 1466483.1390 1557911.6130 1114814.3250 1664786.8020 1541854.6290 1555574.0430 1554340.9500 1258870.0390 1488276.4770 1457750.0050 2069030.1810 1656512.9160 1744171.9190 2272369.6330 1400369.2240 829572.6180 1600210.4050 1384730.1010 2083778.5530 2992024.3840 1284885.1760 943583.0919 1245505.3750 1712269.2830 1273413.6020 1630295.3770 1875874.9560 1453156.6450 1598436.7650 1845839.5300 1219991.0320 1952558.9730 1547838.2340 770122.9012 1009629.9180 2182193.0740 1177291.0720 2443506.7220 3749244.2150 1499332.2720 1410644.0090 1283415.8960 1768939.1590 1354804.7060 1592098.0030 1502754.9930 1597187.4030 1976211.7490 2571220.9700 2030789.5410 1107899.4250 1319909.9860 881665.8596 928734.3574 1949937.8820 1671384.1170 LysoPI(0:0/20:4) 3118850.2330 2001318.7220 2545178.8180 1254541.9970 1513092.3090 1073763.1010 2026231.5980 2277239.9250 3625362.7350 1789039.4980 1733321.3720 3229715.9290 2075616.8140 1522843.8210 1578912.0930 1423956.4550 2096619.4490 3887023.6870 2448064.3210 2746851.1620 1787293.6660 3114097.9740 1852958.9640 2612478.1860 2106866.6670 2596272.3970 2488721.0470 2127593.2000 2311260.5120 2034214.2600 2862090.8920 2286787.4560 1582304.4550 3088287.6390 2558838.2240 1824392.8810 1899369.2590 2489081.8900 3340265.2950 3037372.3940 2097892.0830 1703746.3390 2481415.6300 2494030.5470 2192999.7880 2421103.6630 2819645.2280 2324135.9520 2178797.8720 2955543.9770 2641906.5880 1740204.5250 2018912.6150 1372475.1910 2483217.7270 2349447.1880 2224852.1920 4017932.2660 3891441.3470 2561063.9390 2137652.3930 2217405.1980 2201742.7250 2386437.4340 2724120.3630 2442154.2540 2553320.9890 2859685.0050 3116807.6980 3132500.0120 1729920.1870 1982786.7130 1821454.4760 2063253.5320 2510719.2210 2737368.1000 LysoPI(16:0/0:0) 2473237.4690 1326271.7140 1572952.6950 1065929.3260 1038999.1090 1267036.5010 1302432.5370 1955280.9320 1646214.4940 2099471.6490 1003193.9830 1638834.7940 1467106.7990 1373567.9410 1396335.1610 1186647.3700 1227897.6410 2251980.2600 1673599.9330 1428249.6890 1339621.2490 3257356.9530 1635666.2610 1348760.0870 1551335.8360 1660454.1200 1553357.8870 1130107.9510 1349070.2220 1127328.1850 1927086.1070 1401503.2000 1279087.2010 2376926.2710 1371913.6930 1141574.1660 1252430.3300 1563914.7190 2019667.1080 2780766.1010 2085365.8920 1547354.6320 1722908.7800 1938330.7310 1448687.8450 1813524.8270 1170792.4970 1670096.4690 1426317.9540 1859394.2330 1441125.4430 1390332.6850 1681340.7690 1016940.2500 1784369.5870 1792380.6790 1763553.5220 2950705.4420 2844207.8640 2110542.8510 1727308.2290 2022195.1740 1858014.2330 1559324.4620 1949994.3100 1461749.7590 2151265.9570 2013041.8550 1719086.1980 2547524.2500 3081650.6790 1631314.7710 1482723.9600 1740568.6270 1398975.8640 1341934.2130 LysoPI(18:0/0:0) 197338.2713 510245.2604 1129589.0220 693246.0029 575943.3851 55014.6313 318876.9953 1129452.5430 1913998.4960 1076830.9760 711058.9435 1706895.7020 469392.4221 421331.7371 565497.0863 701716.6665 1058486.4350 795559.5149 235620.6451 1158812.8100 1364161.8040 652125.3276 52685.6471 1118929.1040 72278.0029 1730184.6590 1572764.4040 1351252.5590 613760.3461 1064740.6710 1572682.4620 923047.7223 1029280.5880 1473650.3180 767690.9759 1115243.0640 496804.1243 1014700.4060 1104024.2530 781890.4856 368950.2441 1240038.5600 1084082.4410 584472.3160 1866311.9730 1263850.5930 68914.6812 632470.1047 1565024.8400 1706492.0760 362389.8230 1079843.2760 1249216.9460 843453.6093 1158638.9850 1149543.5060 252395.4729 1237675.2220 1247139.5170 68396.7603 686593.4857 135835.8506 392029.6804 1008091.5400 1279378.4670 252764.5384 1191802.1300 1016503.0290 849578.5192 1305575.8670 162176.9186 155442.0328 986801.4808 1146527.7490 1584951.2110 441741.3901 LysoPI(18:1) 10950959.2900 5973351.3380 5500382.2170 3642069.4240 3097580.4650 3356910.6290 3928240.2220 7832807.0310 7157824.8410 6308857.0190 4648976.5850 6313929.1080 4354204.4150 3411755.6920 4826650.2150 3433315.2380 4296001.7810 11260281.7800 6665509.1030 3960799.0080 5088793.4110 8390604.7180 5929796.6740 5971301.7650 5787940.3330 5539771.5870 6177634.3800 2756330.1970 6355834.6070 4976217.0780 8289176.5080 4698311.8150 4800741.0020 7108517.3020 4768945.3050 3874917.8640 3763643.5770 3989763.3900 6062206.8660 13007442.9200 4933459.0550 3961277.6720 5039283.0720 7394898.3400 3485862.6550 5055801.2290 4257972.8660 6078355.7050 6338195.3710 7214710.9240 3998945.0160 5178194.8210 3627652.7180 2609172.6760 5439397.2110 4714980.2470 3967943.1870 9642579.7700 15097124.8300 6524556.5850 6903329.5050 6581822.3350 8386657.4580 4419537.4150 5788532.6060 4087387.0940 7585018.1120 8192559.3370 9098133.6580 7270514.7540 7532081.0940 5108345.5400 3497414.8190 4253983.3470 4350698.2250 5108575.9200 LysoPI(18:2/0:0) 21148322.6800 13115897.5800 12807988.0300 7488388.2280 7799735.3950 8264079.7450 10887137.3700 15793778.3000 20076183.7900 10439514.6800 11078892.1100 19953916.1600 12717240.8800 12082821.1500 13856021.6800 8074366.5150 7565581.3590 24735403.5100 15316502.3300 12131042.7300 11927355.2500 15642501.5200 9825087.1660 13605549.7200 13072266.3900 12503994.3400 13298747.3000 11684705.5800 12232819.1600 12228475.9200 18228690.5900 13256031.3200 13691797.8400 20134448.2000 12145698.2800 7148724.3700 15412652.2500 11437524.7000 16767807.7300 28269828.6700 12606711.1100 8209014.0730 10351752.5300 18807614.8900 11223162.1800 14426959.5700 17415395.1200 13268171.5300 13427164.9100 17140597.7200 15113015.4800 16605118.1200 12777489.0000 8768134.2820 9348312.9790 18936408.9100 11969667.7500 22470433.6000 31267914.8000 14660536.0600 11844988.7000 13075768.5800 16991859.6000 11691095.7000 13968455.9300 14131242.0800 13674818.2300 16057064.0600 20945784.2800 19926254.7000 17122769.6900 15678261.8900 8578427.7270 7606762.7310 15946094.2900 13517009.9800 LysoPI(20:3) 5349546.3100 2704234.8160 3031666.9690 1274719.7340 1564236.2700 1184307.9450 1715379.8360 2289922.3990 3644894.4310 1522656.7670 2316594.7260 3488838.8870 1812658.3040 1353463.8420 1876672.7860 1484207.6340 2114780.3490 3863090.2130 2977395.8210 3682597.9620 2137809.3200 4690415.8750 1803608.4410 2638514.9400 2003418.3350 1941106.9140 2175862.5910 1787806.5200 1976113.2600 2465253.9580 3196990.0110 2041234.0790 1391320.6850 3457457.3810 2589852.2650 1987719.4540 2517562.5660 2855679.2530 4455980.8610 5640210.9990 3012439.4040 1702573.7960 2671643.6630 2869380.9590 1461448.9910 2744523.8450 2541013.5760 2025472.4490 2722008.8070 3113289.7850 2485881.4150 1633304.3900 2091839.1070 1868046.8370 2834420.1670 2861322.4230 2709361.2660 5951847.4240 6039700.9800 3444240.4550 2266029.8400 3096754.9080 2323662.7770 1825301.2290 2485039.9280 2091394.7290 2113486.7460 3517360.4570 3556492.1660 3386550.2060 1896418.8120 2478039.6970 1976542.9280 2404286.8710 2436584.8260 3283445.4780 LysoPI(20:4/0:0) 37555842.6400 19084853.8500 22352099.6600 13259149.2600 13347612.6900 14024360.3200 22000505.2600 21640147.7200 31515259.1700 16203689.8900 17279919.7100 29174398.5000 18785643.6400 13576557.9800 17849724.9300 14435966.6700 19465466.3600 34079871.4000 22729415.0600 24475949.7100 15676811.9600 32840395.3200 17471906.8200 21958221.4300 19724188.4100 22968797.7000 22877865.5800 19119859.7000 21880582.9900 18277904.3700 25933904.2800 20715531.9700 14874030.4200 26498673.0400 22243837.1100 17010435.2900 22931332.4900 22873662.8800 29085338.3600 34486018.2400 23316403.6400 15092291.9500 22529989.6700 30180992.1000 20794916.0500 26741492.5600 25060229.4600 22328104.1400 19761827.2200 26330777.5100 24473111.4700 16561499.4000 17463419.5900 16171058.4400 22809857.2700 24979658.4300 23172834.4100 37619452.5300 35726841.2600 25984042.6200 19350828.5300 24308934.3900 24019667.5800 20984342.0400 23879002.4800 21291091.9700 22419845.6700 23379388.8600 27888010.8300 28917288.6700 18156166.2300 21314842.3600 15794110.0600 18747555.1500 20298656.3400 24245719.4900 Malic acid 103140816.3000 83283994.4500 64296340.9100 86030698.7700 66357340.6700 81421514.2800 93733191.5400 115097394.0000 85659625.1100 64803394.8700 82781255.8300 65029095.1900 104856611.8000 73636907.3100 116385617.0000 64053054.2000 88495648.5800 76681554.0500 60617633.8300 94846339.3100 63111520.4400 68081026.1000 83286414.0200 67802145.2400 66831370.8700 64541032.6800 82468916.0200 82657015.0800 59542023.1600 62302272.9900 54584149.8600 73736265.0600 60991270.5600 88077560.4000 57766842.6500 76674682.0300 66712088.4300 55922047.9500 89732177.9000 86102204.8200 75031231.7300 79071415.2100 73086788.8200 118821097.8000 84270135.2800 140403848.3000 92571101.4100 71833389.9300 85348456.4600 71247472.6800 99542116.4500 68134230.7400 124054916.9000 71954906.3700 83469326.6900 83752000.7900 73480888.3600 240348287.3000 174391441.0000 142740913.7000 143766089.2000 113764477.7000 123046546.9000 85924548.7800 129949589.1000 147012479.8000 121160324.6000 114508802.7000 93968771.7800 137124360.1000 96744092.9200 152407840.8000 97761665.1000 101361007.6000 98744685.8400 95103916.2100 Mannitol+Sorbitol 1215626.8840 1702485.0660 663517.6632 424035.6315 215267.6709 742587.1039 183325.4859 1377150.0600 716930.7184 589157.5746 689989.7757 744691.7720 720039.4363 594943.8503 596104.9795 582295.7712 558825.3906 586902.5253 14471210.2300 3441319.5780 1646999.9400 2014339.9270 1540272.7820 15771715.0100 2211257.5680 711723.9156 2259310.3610 2554962.7420 1448027.8440 1635347.4030 2297865.3340 5145598.8860 1589462.7560 788828.5305 1220706.4280 1281787.2240 1516324.4910 3782104.0650 1292384.2800 563519.5289 875838.7196 582585.3003 723288.2229 1016560.8190 481094.6205 1350059.2430 1147878.5840 2402464.4620 3263732.6430 2006348.2820 804669.1613 1536809.8180 690235.5128 821104.8818 1318607.5230 2074433.0600 2647754.6160 5373066.1990 1360744.0400 1832712.6640 1212261.3710 1044186.7630 7869060.6490 777103.0976 4174842.2670 1107191.0330 4290791.3250 5791963.8060 3858491.0800 2704930.0460 2598464.1630 1501895.7950 1406949.6320 3539161.4600 9894766.3380 11318937.5500 Methyl beta-D-glucopyranoside 740099.4397 638864.3528 707997.6430 368569.4823 544774.9807 572824.0374 837793.3872 543938.3212 825389.5954 406949.7702 381662.8787 711962.9931 467725.1910 460577.7379 683704.3522 525876.9858 770777.7426 482604.6741 783939.0561 1147706.2860 954481.6538 647727.4994 396815.8040 920743.2738 553098.0728 911256.7454 708841.6865 1309074.6460 776482.6878 1596141.9390 1620721.5110 1723761.4040 1626295.0430 942488.8160 533811.7572 1330280.9710 926102.7628 621638.5978 759537.6360 672623.8141 493645.3795 304799.5879 473124.2733 472249.0132 710433.6284 435568.5105 857182.9636 478567.9265 668320.9129 752639.0373 631233.7929 707309.1105 597677.0410 590890.5426 404665.0502 160035.3875 561525.8190 773465.2239 962122.5320 876981.7139 362632.1108 409478.7879 596310.5685 1174143.2770 866508.4212 997385.7675 420527.7783 708586.6738 621214.8307 873932.9233 717701.9329 538949.1036 715484.5190 796974.9286 860396.2927 865822.2324 Methyldodecanoic acid(FFA(13:0-CH3) 8281.3379 70640.4735 482788.2426 98715.1599 460840.2512 8221.5548 657713.1132 699321.6734 661895.3019 8054.2028 8241.6430 90169.1484 641101.1833 311289.5284 320219.0036 402470.7933 803848.4685 921466.6981 164979.5999 16001.6689 523666.7969 59243.5026 8321.9527 342576.4474 469622.2800 368038.4743 1121173.5340 287814.0792 543098.8359 584574.1455 729352.0034 852129.5979 363763.4693 1080890.1000 487991.0297 535261.8786 249389.0837 805671.3441 399466.8281 515396.9930 952283.4803 813614.0610 690976.9170 1169713.1320 1054643.6630 779110.9849 607395.2084 995637.5887 927701.4923 858103.6464 546086.8674 1106220.6050 597979.2947 1003854.1940 990043.0820 415823.2945 373411.0703 784079.5611 495612.6505 1121410.2820 38656.0032 57066.5820 934135.5631 1264033.2610 28326.9038 643012.1337 1173352.2360 25746.5589 1487078.0870 1041348.8630 554730.4356 87983.2016 2018415.8580 1543185.8220 539752.5727 833000.5987 Methyl hexadecanoic acid(FFA(17:0-CH3) 24060241.2600 11146533.0300 11534545.2300 5298513.0170 6452927.3150 7647477.0750 17559605.2900 5780510.2960 12813175.6300 4974272.2490 9266526.0120 11317111.5900 10264073.2000 8952792.6780 8392823.9650 9800431.4210 8833263.9470 13904164.1200 13213438.1800 19159573.3200 4656698.9640 76162018.1500 5434809.4440 4766308.6570 8737266.6760 8012857.1900 10150257.5500 2955606.4180 10561103.3000 6233372.5880 8863751.3300 8579750.5660 5688634.4330 20185496.6300 10262015.1300 5441303.7970 14767918.7400 12006272.9900 11705025.1000 7015807.0810 16133031.4800 9051455.4450 8986621.4340 19349060.7800 12206407.1800 9298343.2130 6330622.1180 11931897.7600 10490811.2900 11125066.8300 14974047.4700 11569922.9400 9489026.3380 17096655.0600 20596414.1300 12797562.4100 12782111.8700 28488234.3500 10456875.3100 29970396.8600 30130493.2300 35045620.4300 26538155.2400 22055255.8200 20311683.3300 15018535.1200 25079821.1200 33462382.6700 18550639.7700 22448313.9900 25618727.5900 33239429.3000 35530862.8200 31628106.8800 13618578.1300 34439643.4900 Methylmyristic acid(FFA(15:0-CH3) 7836481.9170 3424842.8150 4395949.1540 3192420.3500 2718196.0310 2078037.2340 2980619.1000 3776816.7370 5600713.2470 2582666.5570 3487014.5470 4234100.9270 4699412.7140 2929534.9960 2926946.8190 4256217.5420 5460862.7440 7251197.4880 4247864.0900 6372808.9950 2801521.3020 26470178.8400 2375649.4260 2644920.7700 3378341.8380 2621482.3110 6433624.7040 1776675.7450 4791340.1160 3541947.6920 4483506.1150 5007981.4980 2673938.6970 7784322.0450 4225475.9960 2950211.2770 4269834.2940 4620261.9770 4773675.0890 3123430.1130 5550826.6070 5387645.9060 4929023.5890 8963312.9950 4879485.8640 5683018.4370 1494748.5740 7255032.4280 7227944.7600 6328250.3080 7505416.2380 8629692.7370 4649691.9310 9590983.0870 9193182.1680 2965665.6060 3758175.7310 9140961.2110 3809099.1880 11865452.9400 13619266.9600 14435142.3200 8859708.4910 7704925.2440 10185135.5600 3347727.3180 10074906.7600 13140596.6900 10219126.6200 8517591.9240 7073472.7900 12042870.9200 16516707.6600 12195202.8200 5016432.3600 11725597.3200 Methylpyrogallol sulfate 329445.3681 2103522.2140 926694.7225 255649.6367 559862.7370 530026.3263 2284951.7480 1903662.9050 3548937.5190 64906.9634 2125019.7050 257641.6565 924134.0045 1353705.3010 321086.5036 831901.7541 75568.2049 252015.2382 8805556.6050 192900.8654 1849076.2120 660506.0372 347794.2936 147138.5187 168549.1173 876860.2436 302608.4709 5428040.6540 152905.4901 1192432.5700 294279.6600 401945.3231 1203532.6540 68539.3096 151287.5925 93192.2453 1119013.6780 193387.7362 783259.8667 3190414.8650 972559.6113 279428.6545 214561.8593 417067.4961 963517.6511 618983.7682 3115727.2380 934794.9855 4285813.6750 398884.5525 751671.0120 5397197.0270 578773.1411 159027.3649 167735.7800 608654.8787 485668.6792 436012.0554 3749567.1770 1576579.5810 436799.0711 264942.4718 411282.7509 848268.8925 369425.6373 2070505.5160 452066.2030 2031186.6810 634054.4656 856673.2760 3742419.0800 416890.5085 193565.4848 130306.5761 1686402.4070 422007.4989 Methylsuccinic acid 16033166.3900 15102599.0500 18609205.6600 14779299.2500 13593668.4400 13955219.4300 16888018.9800 15118886.9100 16233821.7500 16623067.9200 13772656.6500 15411995.9800 13378806.2600 14314632.1400 16785465.1000 15687892.1500 18143014.7600 18053971.8000 14434280.5900 21182898.7300 15512421.4200 16224712.9000 14641514.3600 17241250.2000 16128025.0200 16239808.9800 16926774.7600 13081622.5700 13802540.8500 16437672.6500 15481174.0700 18036404.7500 18428777.1800 14488970.9900 16469937.7200 16713037.1600 15039305.4900 17318969.5500 18135719.9700 15075951.4800 16538429.3700 15954044.4600 16633852.9000 16443621.4900 12283542.6100 15382101.8700 14800377.8600 13584503.3900 14069399.5900 13569289.5100 13058423.7100 16910263.3400 18872999.2400 15100248.7800 14781047.7400 14228465.8900 14960025.9800 20680064.1000 17535166.0900 17320690.3800 16152328.3000 14761529.7900 15625445.6100 15161622.7900 18546688.2300 16598404.6900 19610348.7800 18347924.4500 15829925.4800 16404394.1500 16675582.5900 17474471.7900 17040037.2800 17768033.5500 15254146.7900 16890541.4500 Monoethylhexyl phthalic acid 9872.3361 11528.2045 13349.8582 36842.0648 3591.1123 15132.4051 6872.3332 5163.9443 8166.7334 36742.7933 387559.2148 9919.6608 367403.4195 5655.5957 12815.1568 10704.4028 29612.5853 14568.0231 7133.8274 67475.4938 3628.9788 7026.7064 14669.4505 3092.1924 12716.1285 42211.6577 10104.7439 7686.9102 13347.3141 23301.5482 37014.7505 6842.5897 36241.5821 5257.5402 28060.0799 7579.5589 3081.4920 43140.6583 16180.9315 21467.1102 9183.5573 3756.9079 3113.5326 14846.9847 29330.1806 10724.5550 5288.6752 22137.3055 22893.0010 6903.0202 14617.0705 58342.3042 7323.1270 11487.9617 4531.8310 10203.9070 12493.3636 7480.9645 13452.0741 443987.7663 6645.0715 5099.0520 5751.5565 24090.3161 6243.2206 15030.7095 13878.4183 8837.8014 46104.0775 3218.3012 12778.0495 6686.7765 6221.2641 32197.0844 3477.6827 13990.2045 Myristoleic acid(FFA(14:1n5) 2629660.8990 24902.0687 39884.8862 100616.9398 46572.0564 107178.6457 24394.8433 16931.6900 1261828.1590 77342.1818 18122.8652 1777515.5040 772957.5280 14995.4003 32202.0977 31883.8124 55243.5779 1954059.7130 27836.7208 49913.9369 30261.0604 17210.2058 131096.8617 55873.3625 557030.6154 28312.2518 68904.3187 131593.8374 1094206.8860 48975.2491 25163.9959 58594.4721 21123.7113 52492.2109 70863.8816 31841.0622 1503907.5490 21587.7601 83682.4642 1203960.7620 41108.8489 27405.4025 84495.0697 1247532.9100 46091.2606 784027.6650 483123.5740 1022364.5950 20128.0951 264709.3297 1993674.5000 100771.5468 25184.2515 5445.4416 785490.6977 863467.5794 745053.2523 51096.2950 81788.3694 65111.6097 10922.3117 46465.0124 1300694.0030 40471.5752 14896.7149 1308477.7560 75422.8728 62085.2977 34197.9602 2104585.4680 26704.7002 2059878.7510 50262.0802 140479.5711 20914.6029 65103.5135 N4-Acetylsulfamethoxazole 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1786.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 N5-Acetylornithine 3960200.9600 3614380.4720 4821628.3260 2828748.6210 2310870.7800 2779608.9550 4216270.7460 3479251.9720 4066504.1220 5205457.8250 2193998.5410 5217468.1060 3868537.2110 3108997.2660 3071435.8620 3626676.3410 3208587.7990 4699087.5400 3543969.7190 6129043.4090 4667276.4280 4095744.8100 3789767.1500 5238994.1770 3372617.0200 6395306.3300 4786876.7340 3985323.1790 4203781.4530 4731673.3230 4842092.6990 4437352.7940 7062597.1390 5101357.7920 3745968.4860 4408142.8130 3735830.3410 2790637.4890 3574237.7940 2829152.9870 5305837.2090 4708290.3430 3374695.3320 3932708.2240 2972875.3960 3033722.6760 3039101.5570 2735231.2700 2351108.0950 4449667.1080 4436473.6200 4263791.7760 3690596.8340 3274306.9490 2967256.5200 3783517.1600 3128316.9610 4606261.6520 3207941.6040 4619650.6820 2901808.4160 4208916.7350 3340143.1270 4905096.6520 4347697.0060 3760424.4200 4260504.8670 3423038.5450 4376452.3830 4466020.0620 3871905.0600 3312836.6980 3577634.8670 3581024.2410 3754750.4340 3150852.4510 N-Acetylaminooctanoic acid 12496.8573 31206.5621 46492.5287 6688.6249 21760.9762 20175.6028 5881.7728 51593.8767 40201.5227 33406.6878 10694.5214 38780.8633 7206.6281 32223.3978 17326.5638 20669.3006 22032.4310 20847.1625 23672.5044 20272.8522 32705.5427 5663.0366 30583.7175 18194.4250 12893.1974 30404.3919 46459.4776 11669.9128 15723.3840 33740.1605 35137.0699 36320.1058 9376.3734 32933.6350 16216.8445 12106.3916 20423.0098 38994.4540 22167.7518 7717.5655 10120.8934 55629.2682 19567.5646 7198.6042 13583.7723 9228.1384 3627.4927 24330.8459 36784.5876 41293.8864 19013.9417 44640.4363 59174.2111 13583.4249 8715.9227 10304.6363 11104.9538 18706.0834 8390.8516 14507.6262 39228.8040 23302.0207 29364.5608 25137.9842 21032.1320 13389.1750 21004.2963 36449.4414 17730.8196 19833.4600 9449.1146 2927.8690 19644.2196 30090.2471 23223.9947 6183.9667 N-Acetylglucosamine sulfate 3712814.9940 4786817.2600 4762870.0210 6578899.3250 5304095.7740 4499171.9510 6774598.3460 6008610.9290 5826602.1800 5115091.7640 4385259.0680 8531140.6100 6242799.5920 4935026.5460 4998258.0180 4258714.2870 8878096.6940 7874722.1270 6091564.6790 5903054.1140 5091316.0040 6048452.9860 7508172.6160 7443031.9940 5283472.5960 5706164.9530 6977127.9270 6770913.9200 5324668.7600 4565426.9200 9181870.7660 7453837.2700 6106220.2650 8466214.4980 4706688.4300 8824409.9600 8367468.5670 9110904.8010 5102014.0860 5393255.3030 4968695.9030 5705287.4200 6618272.5350 4849726.0930 4746099.6570 6802369.2720 7152909.0460 4181219.0170 3923427.0110 8529528.4300 7318799.8240 4960655.0840 5485388.1000 4393805.3410 7048504.8980 7314682.9690 6153658.9680 9689956.8910 6822083.5560 7737475.4790 9026004.4540 8991920.7740 5447724.0450 6367114.8140 10595966.6800 7268591.5550 8015530.7070 6675222.5490 11671979.4300 9630991.8300 6983687.6250 9564234.0650 7219063.2310 10652408.4000 10155105.0300 9946829.2480 N-Acetyl-L-aspartic acid 25107390.0200 27492414.6600 26306727.8000 27028486.6200 22726774.7300 27592990.0000 24539443.9000 23912142.2100 26921788.2600 22467322.9700 26458036.8200 31912809.1400 24328610.5700 28961676.2700 23754630.7200 21234432.2800 28550264.4400 25371990.1600 24759196.6100 29092410.4600 27736179.6600 26882632.5800 30552367.4000 28116559.3400 26339180.6200 30800279.7500 27797725.9800 30718787.2000 23045923.0400 29401737.4900 29833661.3000 32072776.1200 25211371.4300 24441908.9600 21637755.5300 30975868.0500 27621218.2500 28473461.0200 28400245.6100 32493316.2700 20936514.9900 26889973.5300 20069376.4500 27810080.9100 22365544.2500 24993724.2800 32267068.8200 26402060.8000 27469703.4800 27050622.6500 29047960.5900 23246506.2300 25807949.8000 21361280.6700 23649538.5700 23585189.2000 22343268.0800 27101664.1200 33049314.2700 29812515.8400 27052531.8700 26314488.9400 32441311.4200 27247564.9100 27765310.0900 25787073.3300 31324892.2200 31687749.1100 28771187.6500 34037197.3700 33696493.3500 28326569.3400 25902596.8100 30893562.1700 26432823.4900 23730440.0900 N-Acetyltaurine 7153525.8720 8638517.3750 4658372.0390 4441919.5130 3966248.0530 4493273.7730 3529244.0110 3052779.1480 5709597.4200 9147869.3060 6620037.9720 4853640.9510 5849651.2910 3809772.2100 4467690.3070 3939541.3060 4142374.0570 6553629.2340 4748112.8050 8160481.8470 7588957.3280 5820664.2700 4760927.0000 3229363.5990 4651436.2600 3790081.8040 5029986.0930 4179457.4220 4920975.0040 7016428.1290 6899421.4180 5527533.2050 6370153.4910 16339050.7000 5800183.8040 5166661.6860 5219431.3850 5360014.6390 3934656.2520 4750892.4610 9314107.5670 10291733.9800 6355656.4800 4983606.7060 4126406.5660 4300859.3920 5186496.6640 2090365.5900 2783531.4310 4147279.2580 9168385.6260 4809166.9550 8050625.7780 5165026.6490 5781895.7840 7042825.3570 4647739.9950 12991826.4100 9258611.3320 9008713.5370 4528730.2100 5805870.1800 4983186.3120 5496159.6510 7456954.7010 9515763.2910 6100761.0770 9312528.6220 5310375.5230 8068846.4130 6779483.8830 7766880.2790 7352895.6430 4296786.1620 8517760.0620 5358973.3240 N-Acetylthreonine 30732731.4600 30337763.2500 19927816.0400 18932988.6800 12824824.8900 18157697.3700 19975737.3100 20081311.6900 21848887.7900 44311723.5800 17193243.4700 20473382.9400 24078270.7700 12317918.5400 15092052.5700 18500736.1200 19924441.2800 20895664.7500 17947602.6900 29680785.2200 29677152.0200 15899273.2200 20192581.3100 21002871.2900 17059118.8100 25618665.8800 20928359.6900 15333336.9300 20467189.3900 32185054.7400 25307682.9800 16786819.7100 27214778.2700 35951268.8400 21291487.1400 20204433.2100 19961718.0300 16426243.7900 16555783.0500 12779123.1200 32939153.0600 53664109.9200 36917370.6900 18285630.6300 21474518.0200 15259353.2800 19567172.5600 11724097.7600 15618025.4000 21169716.5800 34818393.8000 16237298.9600 21228825.1900 19965104.3700 23510079.3700 31975244.7700 18964105.7100 30372568.4700 20204619.3600 21626237.1400 21612808.6300 20706498.3100 17068363.5000 21276696.2300 23901414.3300 36211155.2100 23520796.0200 31416676.3300 23880190.9300 24902477.5200 19990959.8800 19131026.8100 20277246.4100 18282646.6800 23262112.4300 19218864.6000 NegX-RT171MZ00 52604.1132 18862.5645 36576.7420 65193.5557 64120.7367 35453.9857 10034.8405 38730.7291 54568.4193 44642.3096 89423.0660 22557.6468 88944.7151 105900.0290 92920.3542 38885.1787 82587.4724 82646.3833 77117.9572 10241.9963 28927.2080 85745.3674 118597.1626 34719.4675 53190.1526 25262.6073 12290.1887 43953.7793 27957.0616 20358.4156 92591.3479 37538.7511 15551.2507 17657.8516 62777.1050 1385893.9880 42275.1991 75618.4227 228266.0972 107878.4503 312648.0498 31507.2001 47085.5430 430175.9298 49951.3822 173484.2389 26828.4727 28899.7663 51301.0150 30188.7282 127693.1538 43542.6121 720701.5622 41319.0371 39665.6965 85577.0813 294305.2847 52750.9539 52746.7224 47644.1050 19717.4280 16455.3515 90212.4330 13893.6532 105300.3607 50981.4071 29734.4359 60578.9769 30604.9661 31669.5621 165258.9887 20665.5815 28742.3525 61030.1665 64822.1167 24941.6188 NegX-RT295MZ165 5154501.5770 2869833.3690 5719167.5360 4122339.0430 3209973.9130 4746142.5180 4284233.1940 4981513.5670 4784268.1660 7895640.0230 5409318.2850 6230830.8620 7322440.1520 8215558.1470 3940214.4920 3663225.7550 2057859.9150 8340332.7620 8124137.7440 5517999.5740 2977889.5290 5770288.7520 3731811.8140 3472003.6330 5846935.7710 3910251.6050 6182623.4000 5609579.2500 9802953.5020 6891461.6590 5841435.8250 6986763.6720 8806779.6080 4853939.4430 4576963.5110 2051152.3990 10425374.1300 8920352.2630 3883961.7000 2490651.5240 5142602.1920 3909128.5000 3548277.8970 5644832.9510 3720248.4430 6080447.8270 4777729.0660 10009777.6700 5910894.5240 5062077.5420 6755986.3830 8206669.1140 4015778.9100 4297684.5000 2055360.7840 9491930.8910 7263009.3960 4935655.9470 3184833.0540 5259067.8780 3992161.4910 3629634.8160 6010859.3520 4096657.8820 6682048.9210 5000680.5070 11235558.6900 6699207.8090 6318552.3310 7940464.1360 8528481.5140 4722891.0910 4935586.5780 1969031.3810 10557024.4800 8892717.7880 NegX-RT32MZ129 127463619.7000 61573614.7300 86501588.6400 137235827.6000 116195557.8000 85690728.2700 148386516.3000 146228409.1000 134752315.2000 105663732.8000 118041261.8000 101130190.9000 128276841.6000 72691879.7400 135795742.1000 92370733.1600 118804148.1000 126602207.1000 106353343.0000 135723998.9000 121298007.8000 114278251.3000 130955668.0000 130156594.3000 119756236.7000 124064169.2000 141218857.2000 146701271.1000 115946954.0000 104805160.1000 114476503.0000 85500151.4300 106124965.4000 123507907.7000 98614759.6600 118600477.2000 115754043.5000 112528552.6000 130013066.6000 126741176.0000 106695014.7000 127460929.2000 121016930.6000 153895385.4000 139057008.3000 169667730.2000 130244144.9000 104037358.6000 127277163.8000 113426774.1000 125553825.9000 114211481.6000 149883252.7000 106512077.7000 122900798.7000 121605978.5000 142253028.7000 222542278.9000 181108854.1000 155129715.1000 192293339.2000 190480162.8000 164394619.0000 158573150.8000 199644729.2000 166567668.6000 181209882.2000 152921667.3000 143982022.8000 167760466.0000 148453220.0000 196829141.5000 149889149.8000 151213808.1000 142698434.6000 173039567.2000 NegX-RT37MZ197 442267847.3000 286738472.7000 400244269.4000 394216512.9000 396400553.5000 395730593.5000 435149373.7000 438549002.4000 426457080.2000 395405082.9000 379050182.2000 447146002.9000 397736182.5000 319692745.8000 467452835.6000 420862660.0000 362890985.6000 382007540.9000 463438412.2000 434868360.7000 340230164.6000 489926304.9000 447529864.9000 512321915.5000 419940096.7000 430960850.0000 487938500.4000 407939350.3000 418068009.0000 386478338.7000 460274048.5000 365965791.8000 423183432.4000 524046327.8000 447580105.3000 426345241.7000 424645845.2000 452472106.6000 403307804.8000 366137474.3000 490970791.5000 426824714.4000 487673452.4000 490959431.0000 390518984.9000 478210417.7000 511008577.3000 393047086.8000 377829133.2000 497964101.4000 431522967.9000 385521761.7000 505379732.8000 450494979.7000 359060075.9000 426534746.7000 496456198.8000 434117720.4000 344850470.4000 496425970.2000 397484049.2000 559012660.0000 442675977.5000 437301017.6000 496244863.3000 457562077.3000 435419301.6000 366158601.7000 410446253.3000 358062678.6000 462939745.8000 534027699.9000 474644182.5000 379314712.2000 388307090.5000 414669933.7000 NegX-RT385MZ193 197052.7547 93858.0718 15898.3864 90200.0195 84127.4612 117765.4736 67090.0826 33223.4959 100318.3977 6010.6108 40338.9619 28024.8566 137494.8384 90195.3648 117932.4342 32633.1156 114272.8802 33471.2493 52157.8005 80218.1889 39212.3718 42516.4883 12024.4033 268769.1258 108043.5458 22351.4874 38643.9423 82879.8270 214395.5272 176791.1582 184982.3339 89619.5898 55776.6956 106244.9093 109794.7800 62535.2597 133941.2766 52309.5478 65437.4259 21646.1709 84393.3032 75788.8714 9416.9890 82104.5844 8070.4199 174814.1259 54699.9593 60207.0343 9924.6815 102282.8946 116030.0535 32789.6435 24794.6543 48361.5986 87526.4894 59094.9190 176883.7344 141133.8810 60162.3597 80387.2392 54457.8264 90117.3610 37929.0387 147530.1125 83303.3557 65008.7964 35109.2248 11919.0409 106563.1830 69731.6275 51361.7874 199602.0281 114005.1304 170807.4105 193548.3104 93347.9996 NegX-RT40MZ141 23742691.4800 25691038.7500 11330900.9100 24740128.7600 24221672.9400 24529817.6700 30154769.2400 35852332.8400 34988663.6200 26242759.6200 10436702.4900 23198941.3000 29356458.0400 24467857.7900 25116254.2100 23715312.6000 26561809.7400 37110702.9200 27452443.3900 14739946.2400 26836581.1300 25370847.0900 25176625.9800 26953966.1100 23202872.5600 18621138.5000 30175970.5300 25010558.9300 23609442.8000 25455355.7200 19411443.6300 24428022.1600 33923743.0000 20912204.8800 25034088.5000 23962663.1400 26289972.5200 33602876.1600 18942368.1000 28278313.3700 9683086.8000 20802151.5100 20921071.5200 9289237.4890 22459715.4900 21569676.5300 14604702.0900 26201827.5400 11751778.8500 36485080.7200 27889634.1600 37624563.4700 18339695.4800 22832624.3500 24009470.8200 18673612.3800 27896277.3900 34471101.1900 19356196.3900 27159043.8700 15140468.7000 27768567.9900 25346412.8900 35270075.1300 35879207.8900 10079061.3500 27890091.6000 36188553.6100 20855556.9300 18366295.2100 29597763.9400 26374070.9300 36143643.6100 20865594.6100 36201580.5700 24706632.9800 NegX-RT413MZ424(containing nitrate) 24000861.3700 18826175.1000 43565065.4800 20428266.2400 25692678.3400 16567781.1700 27184405.9200 30870256.2000 42752311.2200 26782895.1300 18389942.6600 26601356.8000 18575820.7700 27969655.4700 20660747.3100 23275116.3300 34704615.3800 30365087.4600 14650076.7600 39583827.3300 15739054.1900 5490526.3390 10683334.7500 19600957.7000 7332770.0780 22243274.4700 14584414.0100 14290140.0900 12955757.1800 19314456.4500 5323428.8740 11769944.4200 15322258.4400 22614880.8800 5820464.9490 29993642.7900 6296727.1960 12558243.4000 39029261.4900 20646694.7300 19298886.1100 17067856.0100 24161732.5000 24358415.6400 23816434.8100 15298281.1800 15840799.0800 19635064.3500 29198470.1900 25817523.0800 22723072.8300 26131214.8000 35124877.6900 19710630.5500 23165148.1200 10657843.3700 20564327.6300 87289740.7200 39801024.8000 34499022.6200 20350034.9400 8420181.3950 30833173.3000 11351388.2100 34421446.4400 16310915.1200 22100192.7000 46773426.4600 27401175.3400 55770537.9900 12013059.2400 29949402.7300 43647502.3900 21187144.7000 25656839.8100 19999904.6800 NegX-RT439MZ313 35500149.3100 45064652.9900 31691512.7400 16630444.8400 11706268.9900 22317082.7200 14986277.3900 17580730.3800 28815598.4900 16077114.7800 17584486.2100 21315909.8700 39284603.8400 23059658.7800 16446069.0600 14842409.4600 33925462.1400 32761227.6000 24543865.1500 39459010.3900 36632189.7300 20693031.7200 10033633.7900 5627096.1040 13857575.2600 9359300.8430 13439253.4000 38581102.5500 16091583.6500 16477713.4100 12071403.9500 33852842.2000 10001556.5000 10206167.2100 14315528.5500 27053379.2700 32359500.2400 40612803.6500 46561171.6200 30029872.2000 28870867.7700 16422098.1700 12422058.3300 20175966.9600 12339540.5600 24508355.2200 36104170.6300 19320486.3900 18000101.8400 17404694.7900 55015238.4500 11597337.1100 16639849.8000 21747680.5400 27639219.3200 28983056.9000 48636353.1900 61720208.9700 33507105.8800 31988659.4700 16742282.5500 13962914.7500 17751113.5000 12115406.4600 25544335.6400 32993183.1700 24723120.1700 20146187.7800 19783133.3100 62816531.8800 16669477.8200 18323622.7300 28640495.3800 31686081.1400 30545153.4600 42709368.3700 NegX-RT464MZ239 204578.6839 139878.4432 90942.3122 199932.9186 178623.0898 130608.3723 34890.6321 121914.3630 12032.4693 51703.6871 156342.7466 119855.4010 352612.4366 10083.4203 119156.2364 30698.1097 99006.8827 385155.3666 84296.1753 159195.4596 349356.9150 137200.2108 124972.3324 152175.8286 189055.0308 42503.9691 125594.8757 342863.0626 241059.0335 221610.3245 250046.7255 69641.7296 124788.4545 151905.3257 124641.6335 182547.7904 224488.8895 105214.3868 37825.5793 19263.9827 94229.3021 84747.6309 42468.0301 88729.3691 92163.8533 68144.6704 66819.0481 39714.9001 198607.7996 196661.3901 208388.9061 25825.4474 72773.5239 127569.6233 257497.5877 51358.8049 204667.6083 259088.0837 128649.6177 179001.8573 65864.5413 181835.4141 113644.5104 94727.3596 101092.6918 119707.8980 79648.2525 130042.6759 168837.4438 26758.7438 161589.2539 31565.7594 242889.6686 76642.4220 132609.2841 136594.0910 NegX-RT539MZ295 335926.9544 129504.9130 599308.3378 326030.0154 315558.1174 319261.8642 395293.6392 293199.8875 276633.7058 230789.2617 187347.1823 450201.3189 321701.1151 273339.7768 193699.4672 135608.1255 143228.6239 298180.5211 398261.6910 512070.7778 251050.5806 713329.7456 255577.8650 308806.3349 224582.8522 168667.2142 161093.3637 123561.0585 352002.6296 168488.3859 347852.5392 411018.2338 257584.8010 502903.7161 425209.7123 292131.3438 733009.2118 275755.8168 499094.6228 430227.5207 186934.5824 171924.1290 233738.2007 291299.3592 414396.7689 221286.0639 140417.6850 188247.7095 273888.1668 554716.3824 417718.1105 169936.2171 102746.9496 387191.0320 114752.1296 216633.4888 390592.7999 706081.1808 397473.7026 488337.6673 452031.7123 547806.3953 598971.8445 210988.7491 314227.7300 528469.4923 405866.9312 457571.0015 433750.3530 256127.5902 266128.4936 518228.6430 867216.2091 692187.7347 266235.9341 967031.4062 NegX-RT573-C18H34O4 62595.4292 51664.3035 106151.3904 14167.2474 56198.2365 13675.2451 19906.7856 407363.3705 111224.7532 302117.1509 20256.9664 23569.6576 19469.9810 17152.0338 34241.7018 92901.3310 25616.4165 239253.2585 13889.6198 144338.1501 345229.2646 24049.4360 40441.4872 124931.1614 20971.3654 55616.8973 133956.7497 95202.1488 28121.7423 96014.2226 29526.7426 51740.8065 92397.6470 54322.1067 57543.4137 32958.1126 31264.9862 27097.9088 149399.5639 65453.3947 54142.1798 56500.2003 171924.6160 34750.7817 14406.8084 30918.6165 37413.8348 36861.9167 57330.1184 102656.5683 85484.6020 52950.5848 64046.7666 15140.1234 74495.8324 20427.9117 19112.3201 166510.0359 210136.6476 19426.3846 72342.4866 82640.0029 15209.0581 10324.4050 230008.0439 16000.7198 52049.1618 175529.6266 38462.4274 313539.5207 20176.2049 124023.3255 22596.6003 171215.1113 18575.6583 78101.3380 Nervonic acid(FFA(24:1) 13990764.3100 9399601.2020 7144933.9990 5122588.5670 6220437.4380 5484167.1240 7426741.7240 9598889.4230 12457541.9700 9589774.2720 4082888.7830 9903276.5850 4790697.0230 5293662.8760 4333226.8720 5544721.4650 6918480.6420 10899362.8700 7152293.5020 12290900.9100 7359527.2270 13889698.6600 3442101.7100 5172943.3770 6775459.2380 11709659.1300 5679048.4490 3221003.7690 9250340.5890 7067515.8150 10116738.1700 7074424.8850 5401311.4420 16311181.4000 6299201.7440 4464918.7520 6482219.9520 10983090.5700 9547758.8670 9657805.5210 2930533.5160 8381291.8260 9817982.2280 6765514.9570 8188272.5260 6865929.8020 4492260.6980 10351593.5200 8790266.6290 7917499.7520 2816162.8310 5654545.4130 5671716.3220 4372754.3230 12390108.8300 6670904.5580 3490495.7300 27634353.2500 19627560.8000 7063338.6130 11037947.5200 7603953.6480 9719797.4160 8008533.6430 10653847.4600 6613843.6960 22693385.2100 21601618.3500 8860732.0160 21389269.4900 10848742.4100 7025424.1010 12682099.8100 13295026.3600 10785936.1500 14831369.5100 N-Formyl-L-methionine 912210.3205 507195.0831 511186.9564 449492.9945 313816.3360 592815.5205 319679.5180 352073.9712 423557.1131 351929.7400 1363240.4110 381073.0810 498907.1347 809833.8933 409465.2297 373041.3371 704137.0803 571678.3427 558696.8254 911911.8322 478810.6710 325154.7556 876174.9115 494753.1618 523586.8028 365672.5677 387566.3304 350601.5483 455735.4760 1489805.5060 481794.9413 630477.7010 695725.8198 355519.8230 435582.3154 506220.1184 348682.0693 515482.7581 777513.3298 551443.8594 539949.2687 436698.6562 356862.6683 552651.8775 366272.2309 427994.3934 511455.6295 678484.8075 1441363.4260 507102.6658 415004.0341 510924.0815 642404.2097 335386.6664 620024.1652 459380.2571 401139.8309 1453033.1400 783128.2495 618481.5296 689364.9831 548776.1380 573782.4417 348732.9067 535739.2659 570982.1524 627932.1769 2105187.4350 807506.2121 898610.0326 667795.3594 709444.1832 451964.2328 808364.7137 691552.6848 761182.3804 N-Oleoyl-Serine 3766521.3540 3759859.3580 2492451.9810 3533788.8320 2547802.1850 3122163.4030 3180097.9180 2808525.9180 4333541.8000 3163780.3080 3177960.8990 3027883.4500 2838179.6450 3743767.6460 1992208.0540 2359701.4060 3284090.2920 4229694.9180 3385010.9080 5175734.3100 2694628.5980 3716354.7470 2263333.0270 2010632.5520 2682544.6250 3084544.0170 2508198.1460 1952789.2850 4021827.5080 3081546.8890 2908577.0780 2776020.4550 2875859.5270 2681156.8410 2346479.2110 1934509.1140 3845239.9590 3837995.2200 3362134.6840 3511414.3380 2382940.4880 3624691.1620 3116215.1120 4394399.7990 3601562.1740 4127578.1940 3555516.1000 3476215.3160 3255375.1030 3029460.4750 2672082.3290 2772649.5950 2068401.2770 2817168.6450 3162888.7270 4265206.0980 4209408.7890 8589079.2460 4802666.8690 2961372.6150 4614570.2510 4226285.6620 3947680.3500 3444814.7130 4970671.6410 4585383.2160 5443742.5720 6114481.0910 3762752.8650 4801339.8980 4804131.4350 3074446.4310 4358328.9450 4199638.8060 5172921.3600 6715474.4300 Nonadecenoic acid(FFA(19:1) 16893872.4900 6169266.5490 3893366.9120 3289723.2320 2847054.7340 4194081.9560 12043865.2000 2692706.5570 6060824.7930 2139163.8310 4635767.0930 5216554.1410 4105319.4530 4054785.8670 4372141.2680 3418098.0840 2919103.4570 5879294.9400 7611565.2840 11191174.7400 1765112.0020 35077690.9700 2503203.6970 1861566.6650 5105347.6840 4550501.6590 3006973.4890 677505.1157 8227339.3160 2610970.6160 4435361.9110 3615171.6310 2454312.6960 8678455.3370 7078992.8530 2428963.6470 9342621.6370 4664668.2370 4159198.3510 5022014.7640 4826936.6210 3634201.6960 2618482.1410 9075066.6910 5828360.2970 5094873.9440 3183541.7400 6707737.2700 3478327.5810 3283562.7620 6820000.2690 3314408.9860 3011737.2170 7355948.0610 8743984.1560 4487543.8150 5258574.9940 15895251.8700 6022114.3820 13690160.0400 11879196.3100 19974013.3300 15502878.4700 9782132.6950 12057228.0200 10003492.9100 14292530.6400 15104368.8900 7439625.0950 10734977.1000 13732898.6300 20357125.3100 14050941.6200 13945047.0000 6697581.8190 18223648.7800 N-Palmitoyl Serine 6573985.9950 7525996.8700 5095162.2110 5415768.3100 4441906.3910 5131601.1490 5435185.5610 4823514.6890 7112703.4780 5666677.5780 6178271.1930 5188543.7920 6189362.5030 5886416.4830 4677785.4440 4684896.5640 5449035.7310 6647173.6560 6742092.9930 7308940.4580 6599863.1030 6472521.5460 5628814.6290 4421778.7510 5086956.0420 5395954.4290 4945315.8690 6312594.2310 6413763.8070 5515253.2690 5445250.0720 5230249.3080 5694701.9140 4744101.2950 5012810.6590 4297179.1930 6315783.7380 7072382.3240 6002509.3300 8040752.5010 5510773.3570 5528756.3940 5795507.2380 6119168.5300 5526408.7120 5750446.2790 6973438.2280 6682469.0310 5570378.7530 5310523.3800 5413017.4920 5998335.1650 4265495.7850 5480478.5070 6238078.6530 6647406.7900 7956064.1290 9684708.3760 8223195.6630 6515026.1000 5777947.4590 6351636.8630 6390938.6950 4839105.1190 5998148.3780 7259435.2900 7664065.3170 7664135.6370 6537009.1610 7455661.3910 7774397.7930 5637798.5890 5813370.9490 5889485.1300 6956006.9210 8789384.8170 Octadecanedioic acid(FFA(18:0-DC) 1038336.5650 3452070.8260 1495034.0410 750089.8422 703964.0599 727147.2425 207589.3673 1339610.6830 340144.3826 2025625.1490 550207.3343 1393668.3930 796147.2422 417604.5703 1550678.9840 565896.6434 1462821.9130 5593570.5750 1949307.3220 628478.8972 3317502.6440 884255.5974 598368.1449 656381.7608 307799.1768 252953.1830 692185.1838 454212.6302 810337.2750 1123600.2270 1295058.5500 520652.2227 837336.1818 363595.1637 353407.5939 380257.3925 340404.4068 378809.9103 657084.5944 4747416.7680 1216596.1660 870336.1433 798454.7923 444638.5377 233883.6541 691569.5728 341176.6456 1320568.9990 1894190.5390 1603265.2700 471210.5564 1257117.1440 412274.4101 437420.4380 381254.2085 422155.6870 355798.9802 714480.4972 4594288.5090 987575.5100 850305.6849 653177.9268 409353.6038 257098.2051 774956.5370 340883.8379 1095394.5310 1607609.6900 1506267.5010 632098.8901 913206.8715 418415.2061 472877.4853 397417.4296 483423.9109 513410.6637 Octadecendioic acid(FFA(18:1-DC) 216013.7347 184331.7477 134358.6277 109570.1335 136169.9843 109809.9808 54666.9513 238058.8106 179116.9627 200307.5014 81429.7954 260138.1502 120321.3318 126728.3134 120119.7319 174149.0441 121147.8990 195988.4418 135397.3906 195318.9641 322608.4689 130574.3797 118368.9384 83396.0981 109826.2074 90650.4137 179321.0323 181880.8561 109851.9408 165248.5506 185160.9306 179830.7716 179416.8275 101473.8710 101567.3886 124368.7543 179378.3686 170798.0036 141318.3634 282226.1330 118181.9378 152198.9196 116403.4111 103555.3471 45187.5347 229337.7102 134990.7820 166239.6026 201728.8826 156271.7948 146063.6034 133256.1444 126920.2792 130433.6787 103154.9266 148273.1343 172898.3384 149987.8990 333161.0652 173363.8596 117110.1215 103260.9425 106927.8547 86494.7111 158533.0148 195203.6491 234268.7698 138372.1740 151113.7953 163177.4361 115440.9650 104567.2649 138323.3125 187107.7551 135197.3301 253289.9865 Octyl butanoate 6536329.0580 4391852.2890 5185652.6440 4168838.2880 3739738.2190 3011333.9930 3732665.8430 3871624.8170 5411871.5850 3518800.5000 3881677.7300 5108962.0040 5673322.5910 3981023.6150 3940620.2220 2926551.1540 4448501.1710 5170122.0720 4097447.9700 8067642.3290 4171562.7120 8301196.3320 2761957.5540 3780711.5650 2685337.7670 3512477.7800 4600733.7830 3899723.4540 5472144.0170 3741968.9750 4465947.1310 4449384.9770 4002862.8330 4640883.8300 3453372.9000 4265271.0210 6073217.2950 4291653.4040 5258857.2680 4768665.1470 3174649.5680 3339470.6080 4584963.4490 3632417.1090 4499569.9070 4686716.1110 4610563.1650 4560072.4400 3331656.0680 3572086.4540 4838271.8120 3511736.8840 3601501.0260 3877859.4030 4028614.0020 4201277.7900 4805355.7590 14054016.6400 5549893.6800 5404562.6840 4582489.6370 4413997.9450 3669902.6900 4392717.1160 5735515.2230 4662719.3730 4650693.6460 4367086.3700 5816164.4620 10357894.1000 5205726.3570 5368037.1100 5297713.4920 6622117.2670 5357600.9460 6945047.7370 Oleic acid(FFA(18:1n9) 11652831572.0000 3379831754.0000 2758887283.0000 1733796224.0000 1532849402.0000 2198246853.0000 7562195236.0000 1641364397.0000 6009317751.0000 1676545258.0000 2569915454.0000 5766323279.0000 1542751180.0000 2006823366.0000 2596230639.0000 1183960709.0000 1362714886.0000 4163327965.0000 5261921527.0000 12433298140.0000 1113005965.0000 20253118127.0000 1590049006.0000 1041746521.0000 3460842273.0000 3951680416.0000 1925649471.0000 329179622.7000 6683236396.0000 1918108032.0000 3993045524.0000 3254378761.0000 1749856971.0000 9576884220.0000 4457161772.0000 2008542615.0000 8184480578.0000 3634267655.0000 2610178865.0000 3648782942.0000 1869852477.0000 2423710120.0000 1511441965.0000 4017589767.0000 2576305662.0000 2242330943.0000 2289871661.0000 3642568033.0000 1842410922.0000 1702433990.0000 3096330477.0000 1488331699.0000 1440753075.0000 2280705989.0000 3547588415.0000 2125925095.0000 2823612974.0000 15864538419.0000 4573745490.0000 5523204510.0000 12407776589.0000 13021936679.0000 9162868663.0000 9324829862.0000 14807303693.0000 7546794916.0000 12416399401.0000 14913879471.0000 3858130210.0000 9517685919.0000 7179916721.0000 12086513299.0000 12226388289.0000 12973745077.0000 6612037861.0000 9996866790.0000 Oleoylethanolamide 1034236.0240 691640.6275 1462320.2950 71397.6588 1350255.5690 446596.8260 178542.7393 1730425.2940 2033448.8450 1699435.4190 72998.0810 1856961.9200 150470.0033 1277246.4270 181483.9107 144755.1664 1748143.9860 1833009.9280 936954.7272 2528448.8590 1259238.4650 237780.1313 174664.9941 1310876.0620 399328.5001 1806719.9890 1290969.7570 1111850.1840 899729.4619 1531331.0360 1289581.8860 1405405.9120 1599684.9620 2090461.9700 197073.6580 1207330.6050 894292.4088 1932940.7590 1829699.0260 73483.5471 215967.9448 1687251.2040 1779469.7470 185514.1593 377484.6468 766384.4656 70908.7747 167552.6063 1598235.1810 1331669.3400 376521.1502 1410633.1240 1438614.5380 234023.2767 1282301.4920 840923.5624 190405.3332 3256494.7980 2179513.3580 169011.4202 2131597.1600 259826.5364 253500.2238 1777240.4220 2246294.1950 1059080.7020 2461428.5360 2822160.5670 422716.3546 2590217.1250 1826447.7810 800011.6579 2297645.1650 2166916.1500 2302285.5100 181760.6439 O-Methoxycatechol-O-sulphate 2244356.6250 3959693.6790 2787411.1660 1386404.0830 1790902.9830 3671622.6670 8556544.3060 5698285.8710 3299385.5920 2843923.6600 2761785.5280 10024008.1500 3700408.7120 4429884.0900 3004272.9070 3481285.1230 3601164.8970 1387035.7700 5501528.2790 938293.4277 2478121.9700 1734359.4560 1067797.9220 1202231.9270 1437345.3980 2596612.2510 1607324.0790 4208887.5040 2111740.1770 2113246.6910 1977628.1840 2421027.1650 2016441.2170 1809083.6120 1555977.6390 1736416.5000 1795431.2620 1954223.2610 1390902.8260 3331372.9750 2804616.2770 1516207.8290 2290187.2530 2167922.6210 5260112.6190 2083122.6280 7316.9507 1884173.2820 3431978.6820 1937323.6550 3736276.1370 3141197.8560 2274680.1290 2265984.0100 1374893.0200 2542061.5060 2588746.8740 1655918.3500 4883836.2510 3937677.2510 1523739.2510 2363102.6550 2176547.6240 4219133.0380 2215447.4000 4758061.4970 2746980.1390 2990024.4740 3549921.3320 4274560.3570 4354659.8160 2957096.3620 2139157.6820 1773541.0100 2432705.9690 2911720.2460 O-Sulfotyrosine 703288.8730 1272343.1640 1551840.1960 1564226.4690 1416768.0670 1681924.0910 2009647.4110 1318403.2000 1734444.3500 1340487.6670 1756643.4880 1825231.0460 1226362.9960 803328.4402 1155255.2760 834599.0200 1452197.6420 1586076.1510 1088992.0940 2467432.0100 1841792.5960 1090569.6360 1451054.4200 1670156.0790 1674611.1930 1948066.7730 1304131.1040 1622594.8070 1667887.4470 1698026.2160 1932255.5280 1716889.4630 1452680.1110 1664650.1740 1606433.3290 1467075.6060 1407462.0610 1918407.8290 1969292.8940 1321506.5370 1459896.6810 1461284.5140 1187736.5340 1938443.3220 1533472.7860 1099918.8790 1783281.7490 1204329.6490 1395276.9440 1427410.2670 1068028.1250 1087545.6120 1370480.4150 1203705.7570 1147995.6230 1227298.0360 1282592.5970 3259518.7920 2561773.4030 1648753.3120 2072907.0940 1241307.3370 1915977.7060 1991841.8790 1985302.0360 2004655.0090 1836082.4430 1660237.8040 1871803.1610 1940454.0030 1595608.3090 2184458.9960 1875045.2080 1759745.6190 1679169.3520 2406404.0880 Oxalic acid 2501066.9510 2074354.6090 1274774.2220 329182.9987 216652.8622 265768.5226 1631434.4100 735509.6490 1396263.4390 2573555.0050 844824.9809 80171.9232 1692194.6910 453765.2622 769914.0052 866540.3421 343431.0270 131622.7642 1572590.9230 2259257.9670 1593259.3970 1856263.2430 625021.6685 1422769.7310 1278476.5760 2388073.3350 1003734.6900 722154.0744 2271507.4830 1262336.9360 631299.6671 1338620.6740 1155947.8490 225257.0869 620477.9219 687512.4807 194147.0179 1594487.7630 746691.8688 128868.0575 1384538.6790 743877.2027 1094636.4080 867782.3838 801690.3222 951810.4610 1558236.2640 512980.0276 184318.6195 530933.7380 1720051.3990 739208.9629 954224.3245 844835.7167 1150043.7980 804903.6736 1394108.0340 2827789.1690 1568396.8160 2224889.7210 1373803.4850 1546375.3490 762351.4652 1399175.6120 1445153.1770 1527035.4830 1866430.2330 2165264.3970 435732.4899 1214613.4480 1398552.1300 1392047.4570 1320121.1790 435937.6638 1029960.8420 234084.7719 Oxoglutaric acid 24509648.2500 20318853.9400 14697316.9300 15930865.6000 14133718.8000 17065343.6100 20807405.6800 18311103.2500 19283128.6500 15037221.4600 15143484.5400 16962974.5300 20726342.1800 18026163.3400 21816077.0100 13289468.4000 20043322.2800 18171299.2600 17101468.9900 23766032.9700 16324160.0900 21057237.8500 17524207.7800 16918128.3900 17822438.1900 16868638.3800 18983448.8600 20217525.1600 15414392.9200 15535827.3600 13480737.4500 18703051.2200 15591893.1500 20094302.2900 17120327.5400 20420381.2600 18172948.3100 17323275.3900 19070844.8100 24230820.7300 21201904.1300 19043138.8000 16755959.1100 21872415.3600 18820624.5900 23332769.1600 20364682.1700 15893928.6700 18048113.1000 14732239.8600 23217395.8400 15985202.7300 23926512.0800 18015291.3200 20987748.6800 21222106.2000 18183160.8500 30307378.5100 27826838.0500 27910628.0400 24918753.4300 22346356.5100 22121683.1900 17684231.9400 25018021.3600 24444180.7500 22258492.1600 19238941.0200 18300589.6500 24886837.4600 20452500.4100 25710664.8600 20606157.8800 25040076.2100 19950049.4000 21726992.1900 Palmitic acid-[13C]16 65523205.2600 58842453.5200 52525033.3600 52219876.4500 49809207.6100 48376886.7600 60488215.6600 43885914.7900 61494707.6800 49599651.2500 53934662.8700 59569002.1500 55565115.1500 47289146.2600 54276716.3300 54045046.4400 48140354.9800 62134102.7500 62921204.5200 64686239.3800 46777316.3600 67455231.7500 50787015.4800 39494753.0200 48794126.7200 57156880.9000 43909483.8100 35539564.0300 58355203.5800 54152768.8500 56106297.0300 56088047.5900 46427070.1800 63456324.1500 53492783.0700 38851790.2700 58507433.2200 54050818.8100 56971571.5600 57514903.0700 51139176.9400 48904959.1700 47442604.6700 54989821.0200 50928275.3900 53538714.5700 53806017.7800 55718319.6800 50240301.1100 52386429.3400 51300407.2800 44377133.9400 38038711.2300 50224405.3800 53870591.2100 53545005.6200 55781683.5000 71214531.9500 59806726.1900 53764571.0600 61863701.0700 60027610.0300 58012056.9200 60567082.1000 61468096.2900 56163088.2000 63884207.6300 69480198.9900 51731510.7900 65391298.6100 64226175.0600 57555472.1600 60795505.6000 61615983.1200 59950981.7100 61339795.1600 Palmitic acid(FFA(16:0) 8341254260.0000 3489942529.0000 2844863558.0000 2463245091.0000 2356418094.0000 2208140836.0000 5069193825.0000 1946776925.0000 4689667700.0000 2043676348.0000 2537912411.0000 4526099462.0000 2140576032.0000 1993068602.0000 3350425363.0000 2190120958.0000 2400486725.0000 5493065358.0000 4334622488.0000 8703766049.0000 1770513234.0000 13709977976.0000 1791633081.0000 1344575273.0000 2586527382.0000 3054623789.0000 2327981073.0000 813693251.5000 5302048782.0000 3200525621.0000 4549026366.0000 3745555297.0000 1986987019.0000 6756487222.0000 3550978590.0000 1787107691.0000 6202592892.0000 2844072827.0000 3307765011.0000 4106725542.0000 2330292810.0000 2215758396.0000 1988696118.0000 3736847291.0000 2306383122.0000 2478595404.0000 2411975661.0000 3456578832.0000 2475447657.0000 2461595432.0000 3215907637.0000 2111583642.0000 1640179344.0000 2588109220.0000 3261212085.0000 2416980183.0000 2707328842.0000 10984598031.0000 3867772406.0000 4586569689.0000 7911302336.0000 8797370881.0000 6064623975.0000 6023447035.0000 8980308119.0000 4983802517.0000 7378392880.0000 9510896188.0000 3537184515.0000 6467181045.0000 4935811874.0000 7973502521.0000 8265936170.0000 8143558996.0000 5944330794.0000 6975177129.0000 Palmitoleic acid(FFA(16:1) 6399596.8710 2591413.1180 191143.9519 856412.1726 782428.7453 1002544.8820 7314736.2180 1265378.9760 4116753.4200 668861.7851 1475102.5510 399798.6383 1524408.9770 4723147.6670 612626.8953 1736375.9100 816529.5336 141811.1478 21961847.3000 8488169.7610 600374.8680 54788022.8300 482191.5624 492945.5871 3627880.2560 838400.5112 316547.8938 498000.1514 1070740.0990 1097955.0620 155739.1995 237677.0241 752705.3756 11506861.7600 4501241.1980 546865.3542 6307406.4460 2011267.4780 192405.5977 8323218.5310 389910.9567 747332.6744 475162.0038 111664611.0000 606609.2430 763871.9522 2224185.5420 6936877.4260 476905.6288 812092.1290 4254790.1550 376249.4356 1260856.8460 1036511.6110 5117550.7900 155553.5369 4292476.5810 10508686.6000 425713.7282 361613.7799 8311923.8250 21922298.6800 5514401.0510 5218352.0710 10945306.3700 7039562.4730 220017.5412 15769527.7400 447589.8078 7895984.7600 4393909.0280 15882283.5100 9447537.7020 11065621.6900 2908253.5300 9775169.8630 Paraxanthine 13996133.7700 6758534.3090 20113059.1500 6255852.4930 893191.9052 12411597.5200 8929355.5280 51970421.6500 36480191.0300 11744786.8000 1816951.8920 1218060.8850 4782054.8800 991387.5987 13084823.9900 18608163.9700 930478.5608 4495322.3650 34505041.1000 13150849.9500 20278450.7600 13486654.4900 4759837.0900 945379.0341 6517132.8700 5097991.5900 27504335.8200 18585460.9900 6100421.2680 5079349.0750 3777446.6930 836943.9793 2796006.3940 15775265.3000 10876066.8200 1942744.1690 6262681.5220 20733101.4400 8731939.7180 12746838.9300 5779777.1230 3101549.5590 899710.2626 525095.4702 6365473.9010 22535513.4700 15997429.2300 7512730.3320 7456493.4490 4427780.6480 797253.4803 4463144.4410 9910365.9520 10427410.1400 3219781.3370 7540532.1610 17089198.2400 9368063.2330 17762131.2700 6135924.9000 3110772.1170 1041472.7130 265109.9737 6066567.3020 26137471.8000 12517321.6500 7770993.4190 8174993.0090 3844602.7770 784459.0680 3056809.3090 11554089.8800 12302382.3500 1934660.2360 8625690.3840 17175797.8900 p-Cresol glucuronide 34821.7373 92788.0539 33714.8215 261598.5315 350371.0912 312489.0092 2251253.9390 134025.2596 870971.6734 45844.1260 569557.0036 57051.2724 205700.5759 207042.7647 157837.1360 367261.7134 367371.5418 526427.4316 5179.5812 67530.2096 253503.3625 55341.0260 91255.4611 386560.1585 357524.6398 3209.9103 100173.3423 472922.1616 3350.7083 201780.7489 40538.8696 150257.9893 247601.2076 55397.8149 251540.4693 647355.7608 195078.9707 44292.4306 53382.3242 365035.7916 196714.0400 127614.5186 2268704.5030 804148.9318 6958.4093 125905.9808 1250402.0450 6376.4001 371472.7746 8340.9885 283167.9507 155247.1835 76252.6326 114545.9775 401300.1618 55472.0458 1587.3684 247895.2176 735042.7732 376165.8154 167418.1845 2726248.1200 631495.1390 14305.2896 387085.0273 733589.3790 91140.4583 386864.0118 96770.8103 665465.1192 289913.6341 187380.3630 258869.6542 776505.7544 139027.7890 89762.2731 Pentadecanoic acid(FFA(15:0) 27250926.4200 13998380.2100 13420677.5500 11064172.1900 7239085.6090 9091059.8020 18813177.3300 11716939.7000 14393271.7300 7033940.5070 12498717.3200 13857438.0800 12916922.0800 9530134.5990 11713288.8000 11469188.0700 12108882.5900 15512931.9300 16672719.7100 24299005.8500 8714220.8490 79041398.5100 8735818.3030 6681830.3640 10621959.5900 9856239.0360 17135536.6900 5162822.8380 21203712.7000 10772260.2200 13761905.9600 14686094.0800 7864863.1280 28069830.8000 13542176.4000 8125627.9430 21170287.9000 12631868.7400 11650628.4700 12922421.4900 14721127.8400 11835485.1100 11920730.8100 20416121.0300 13043201.0300 14519158.0500 11024283.2500 19780470.3900 15284525.6400 14750795.4300 18767003.6000 16404887.8600 11260427.0500 21351188.4200 18024619.0300 9948891.2120 14139586.0000 28321678.2100 11903758.2100 28093134.1700 30153765.7500 40163770.8900 26286969.6200 21979498.3100 29191937.5100 16349507.3900 23946994.8300 37050143.5800 29001570.2600 22160124.0000 22620842.9300 43708742.9900 35350402.1400 28601795.0000 14334647.2300 26452739.1700 Perfluorooctanoic acid(PFOA) 10498769.7700 10044045.5400 11796399.2600 9211298.1460 13598428.5500 14570043.5300 35356128.6400 61855632.5500 8018946.0630 17979803.2800 8331315.4260 53565882.3400 7148823.1600 7752237.0390 8067970.7040 7241857.9640 16019908.2100 15887374.5800 12756856.6500 13084121.0400 11228701.0600 12174641.3700 8852236.9190 16010704.9400 15630593.5300 39163929.7000 62736499.2300 7868824.3410 18286384.4200 8718147.8220 56446352.3900 7218449.3320 8109380.7990 9718742.7290 8266092.9100 15451163.9800 16748191.6700 15089260.6600 11443197.2300 10308470.5900 10725466.3400 9387863.6940 16523619.3100 16001951.8200 36956694.7200 58084414.3200 7232850.4530 19067707.8100 8566799.1520 48648563.2700 6950062.1690 8112649.9860 9307731.1060 8213553.3910 15394565.1100 15824402.0100 14198215.7000 13495534.6500 11737520.0200 11946488.9700 9773748.3290 16028107.1200 16133760.8600 40350106.8900 67721935.6500 6619082.4910 20874483.3800 9570087.8720 57379255.7400 8263228.5700 8177737.7400 8998463.5230 8929752.0740 16531090.2100 17294516.3900 14947377.7900 Phe-Leu 584868.9297 470515.0868 651471.3126 789957.7528 763222.3098 734517.0482 892902.3697 1123288.7760 705100.5020 473793.6358 652131.2230 689108.5480 579226.7427 691220.6832 602797.6099 463399.0898 819833.3997 801865.7855 580525.0985 1024173.2640 629161.5361 411366.1901 846282.0143 957791.0032 869200.2604 1228165.5680 1197292.1530 789426.3281 483908.9126 646516.5222 835581.1490 716957.0948 893715.6339 922966.1505 559021.0195 987099.7301 784037.5720 689528.1009 844261.5135 500465.4006 496667.4130 781901.0101 592018.9100 712320.3802 722353.5693 811557.5700 595807.3462 460290.1570 671017.0755 629978.3906 429328.0314 891277.5933 785054.0322 648806.0127 638087.4967 533968.7225 519417.8614 1281926.7250 874219.8091 647427.6392 870483.1824 825201.3735 751167.1086 1335810.9960 1539097.1390 518356.3953 640085.9624 605852.0847 834576.6599 833793.6905 760822.4136 717854.7379 710828.9030 1022092.1140 770763.2656 668111.3572 Phenyllactic acid 92564.1076 46100.9725 42725.1143 56602.0712 36228.1900 119940.4773 44288.9639 38577.5720 8335.2084 95283.3197 83709.3891 50347.1196 86798.2527 84399.2095 9510.4616 161945.6794 71339.7993 76715.2550 41308.6144 79727.2622 78997.4777 81936.4806 39384.2421 11545.3140 113392.8749 79594.6168 52627.6745 19418.8446 58336.4422 90043.0563 278850.6533 46042.8917 58842.2800 67999.8860 38881.5820 106647.6425 102646.7237 43648.4270 117662.5736 56228.3853 68485.4309 38988.5685 20396.1310 48701.5301 74116.5293 49236.5900 43068.3712 167966.9171 51509.0404 41156.5100 45268.0507 55103.6307 157482.6093 50832.3231 39640.1619 72855.4108 75838.6411 48488.9344 40133.1176 135029.4348 26048.5114 59912.3661 52033.6862 67582.9476 35707.5642 96840.3275 15834.9988 115149.1277 218902.2772 47558.7928 89961.7923 107103.8785 90199.6696 35358.0440 12530.0902 44213.0681 Phosphate 196857.6306 61463.6425 155505.6812 153957.2077 418123.9358 267340.8099 214581.2322 111406.9626 286056.2133 72851.3387 271310.2831 155505.9585 153596.1137 135578.5608 91434.5158 95043.3426 124876.5912 123745.3035 213695.1077 384720.9173 192150.6342 104862.0827 47049.8765 284482.0524 96135.4206 258353.8064 279953.9729 144583.4272 101437.1012 177029.8562 209792.6849 226780.7720 229615.4315 48136.0938 283382.5909 149284.0727 113291.1181 31477.4354 316224.9614 93586.5548 222839.0702 184349.8856 160020.5867 154448.2387 287251.5107 252085.1284 94141.3322 178140.3933 61246.5499 73452.6224 113355.3785 155247.6513 313117.6863 444433.7721 366927.4490 112450.0574 104148.6129 331378.5359 230512.6939 116854.2513 83820.0354 190999.2683 127908.2784 250392.3080 141778.2211 187786.2478 135585.8420 261564.7784 132296.3779 121762.8254 260370.1606 239855.4752 178452.4878 158030.7261 298463.3607 291264.1204 Pregnandiol sulfate (1) 707499.1413 1013965.7980 3611869.4730 2585165.1540 924789.7664 1348189.2980 2256573.9900 2311342.1730 670805.3333 3313608.2010 2790232.9880 2542518.4780 906531.4966 746947.6477 1491777.2210 856277.6294 1777844.7560 687587.9299 544425.3300 852410.9731 892903.6217 5147654.9320 2490071.7960 1404342.1070 1168407.0910 1913197.4080 2975718.0920 591810.5483 4198569.5140 2601819.2460 2349424.5160 1221873.6630 571957.1097 1625182.8980 966312.4206 1711016.7460 802270.3213 526747.9151 557188.2987 716532.1968 4192523.1530 2089302.7420 1492555.0720 1041908.5410 1611571.7740 3880949.6910 777979.3072 3669574.4770 2593061.2620 1938500.8580 1249050.7240 539134.6907 1504124.8480 922876.8862 1772163.1140 724117.9274 582317.2722 900764.5045 985137.8319 4163522.4780 2628831.4920 1825618.1700 1422058.6750 1839734.9190 3594819.8930 749891.6987 4106116.4330 3155222.0810 2725363.7030 1439754.0220 768076.9653 1945630.3360 1031498.6120 2042014.5040 743086.8923 664278.1225 Pregnanediol monosulfate 1257618.4770 1965593.3350 3154400.4260 3323924.5540 2608784.1390 1480045.5470 1816567.3000 3535117.4940 1817841.4050 4218321.9280 3654585.3900 5517035.6290 3998917.3840 1874821.3070 1682319.8730 2115196.0730 3356632.0820 1719333.0850 1585405.2910 1375471.7800 1929672.3220 5098017.5450 3171254.1420 2802975.8440 1684532.8270 1709407.5790 3886740.4670 1749971.0060 5650088.4420 3170619.9430 5050443.0060 3176984.3980 1613316.3680 1533439.6760 2255661.0870 3799697.0470 2368154.2360 1468878.9590 1008868.2580 2487053.9200 4176545.0850 2574704.7340 3090070.3020 1729495.9390 1714211.6090 4019682.4120 1997555.6370 5392415.6010 2947868.0250 4295977.5840 3564908.8330 1476228.6550 1548231.8430 2319220.7420 3672475.3980 2106433.1320 1696258.7950 1430786.0120 2287115.8890 5298449.2270 3071047.6020 4166351.1060 1754382.6120 1774149.8090 4319084.5890 1756302.8220 5553438.7440 3593915.0120 5969744.4820 3671576.9690 2047273.4100 2088038.2050 2194828.2090 3996280.0200 1985189.5980 1797510.3690 Pregnanediol O-glucuronide 1064297.6680 986100.2072 2237691.2090 1111474.9890 1398815.0340 644668.5238 1077603.4300 1318226.0590 1234934.7970 1233400.1930 1505436.3730 2043383.6380 1924323.6420 1302432.1710 1438373.4480 1466106.9490 1611734.6480 844970.8706 1097110.4360 1502245.1180 795762.9793 1864351.8540 640104.2384 1148082.1620 384326.6059 768282.3904 1227640.6550 944179.5183 1071480.5000 1362163.4800 1330859.4370 1783489.4700 994318.5967 1322017.5600 1282109.9500 1391185.5520 662915.1166 1087904.0740 1411652.9850 1110177.4540 2376557.3860 1191748.0940 2298622.1470 573712.9843 1061012.1070 2064018.8040 1049710.2820 1234569.7520 1597951.3710 1791043.2830 2028422.5350 1327938.8830 1520527.3260 1513366.3780 1628156.0860 740116.7882 795157.2020 1780819.6120 1357843.1630 2876188.4850 951000.3016 1524337.5560 440180.5881 783274.2025 1461451.6980 1110765.7820 1393507.6040 1766846.1240 1825782.3640 2472962.1840 953690.2082 1669368.2540 1755537.3600 1463968.4810 771448.5417 899712.5126 Pregnenolone-3_21-disulfate 2971739.6600 2271358.7120 4019657.9190 3507602.0010 7234718.6550 2710279.9300 5687144.8350 4460746.0850 4678112.8480 2550466.7510 4802049.7850 6662094.4030 4651746.7470 3640260.1910 3882654.2260 2804082.4500 3516166.5200 1840086.6740 2740545.1140 5027829.3650 2565049.7920 4139555.3700 3510829.9850 5091353.9720 3054831.7380 5475900.4580 5139903.1950 4787344.2930 3032521.8370 5299995.8390 7043389.1770 3622771.5240 3691170.0490 4194811.7990 2914742.9500 3779294.4630 2332852.2860 3930924.5000 3255220.4120 2412859.9030 3761575.7570 2969664.8230 5210792.8370 3198349.1190 6136355.4130 5030030.3520 5020730.9380 2864579.0820 5005385.9180 6426899.8880 3742052.2990 3509183.2760 3963380.3660 3520518.5510 4215374.9250 2401759.7900 3272361.4420 4819569.1560 3057601.5780 5054801.7690 3731169.6720 5519520.5880 3636320.9010 5952511.0080 5919400.3610 4835233.4930 3400747.9390 6241647.5850 9061889.8210 4807405.9290 4145972.9720 5920594.8020 3817887.4300 4253262.9590 2747736.7560 4383130.7760 Pregnenolone sulfate 5660210.0920 5845810.3620 9230226.4740 6963834.2710 15353214.6400 4444489.2210 14880564.6100 8481143.5320 10994371.2800 8241655.8780 10434652.0800 16377645.5100 12579710.9400 10230702.4000 5820387.0060 6510118.5090 11466220.6800 5672822.0570 4997797.7460 5986127.9700 5795887.5520 7253430.3590 7586728.7420 12081366.8900 3975129.2310 12090497.8600 9385536.2830 6965102.5230 8011846.2420 10454127.6100 11811541.8600 6253170.6930 9038259.0780 5254392.2090 4252823.9470 13066172.8300 4612751.0860 4830540.5970 5423503.9950 7710033.9320 10345692.3300 6090786.4470 7689078.6000 6540439.6180 12691559.5000 10816734.3900 9524131.2460 9983843.8390 10469721.1800 14905380.6900 9920855.5510 8017810.9280 5360944.0490 5788667.3800 13430659.9100 5873090.8840 7712327.7590 10677423.6400 7444143.5770 15549558.5000 7392565.7830 7566447.1470 6505367.9520 8715439.5310 9330398.9040 7996968.4530 7538769.4000 11317172.1700 20159254.1600 10235754.1800 8410402.9260 6979381.2700 5880723.7460 10655516.7200 4926888.6410 6687642.6620 Propylparaben sulfate 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 Pyrogallol-1-O-sulphate 5359853.9640 2286553.9940 4091043.7060 2652681.8560 1710891.2510 2728264.0130 1628714.9870 144754.9722 4947735.0390 3415259.4170 3694928.5120 4355687.9370 4471199.0060 2318376.6700 4218726.0190 2970248.4640 4907169.1970 5624017.4700 3332389.3460 4819545.8740 4104131.0610 3699455.9330 3897773.3420 2457437.9720 3053711.2840 1616645.0490 3291364.9700 4862156.8120 2414358.8480 3046145.2330 5924508.9980 3983765.1090 3526993.6950 5143875.6270 3744090.9350 5655866.3650 3844578.3790 3510686.3310 4699527.7740 3646384.4330 3136085.3830 2926162.9070 2142584.1200 4757566.0630 1315035.6110 3262265.5420 3732204.7280 2346985.7300 4367308.4640 5225179.0620 4030581.4730 2767543.4490 4730496.4560 3099295.9970 3946405.8850 3645288.4300 3035836.0940 5243835.0350 3723439.2930 3795367.7520 3909743.9930 2975212.6200 4443366.9790 1874599.4580 4130344.6620 2282829.6540 4380955.0610 3632794.2470 3947714.4290 5266231.1910 3791842.2040 4184350.7880 4139514.5400 3681482.7160 4328336.4340 3270093.6220 Pyrogallol-2-O-sulphate 70221.9601 23130.2308 92304.5661 25085.7302 25580.5543 4713.7160 39527.9590 23414.6576 375788.3856 22833.8446 25943.8553 96522.0302 96957.4535 12591.6742 7443.8992 4924.1270 37628.4174 13582.7941 39882.4925 30231.7277 28110.0708 125177.1627 19472.0334 26480.2663 29060.5390 3939.0037 22216.1501 11270.3088 17395.3402 28191.8995 233159.4959 291214.7193 17093.1538 76892.6271 35684.2816 66800.2761 31315.7092 4653.6854 59947.7734 30902.7082 41874.3093 21669.4170 25692.8916 22640.4725 12457.4571 0.9989 12028.0406 45644.4376 28770.9848 156089.2860 25684.7095 163949.7107 88808.0065 57741.1258 32433.0258 23731.0606 36724.2618 41153.3945 26770.6856 21537.5216 31061.5671 71310.7234 97818.8506 51025.2964 182844.0140 29211.1560 153948.4558 102680.9460 202779.1378 231656.8578 52983.6279 167785.5570 31014.2753 30486.6903 36787.1139 160267.9308 Pyruvic acid 43222261.0900 41351162.3200 37061615.3800 36910506.8800 37349113.5600 40728767.4500 56266704.9900 45931367.4000 41687288.4600 50385992.0600 34832567.9900 30096385.6100 37936981.9600 47737375.3800 52282183.7900 31967293.5900 55518757.5300 38202820.9400 28694206.0700 43592501.5900 33584182.0900 44915054.5200 43528566.7800 43253291.3900 47795244.6000 46530630.7400 42066075.7100 39878888.3100 30630945.5700 43377016.9400 28639747.6200 39354743.8900 46453337.3700 51138901.1300 30532491.3600 47451819.0000 32853713.3900 31292227.6100 29906217.8800 41853405.9500 72653094.2400 70384337.4000 42700598.3400 45405716.2000 46394088.0000 49176085.3200 34645292.0000 35298994.7300 37379768.5500 34652695.2400 40639225.6100 39365225.3500 47061770.2200 29591705.3500 49541782.3000 29410709.3800 36998576.9800 44369482.2400 48488540.6300 54932547.3400 66116361.3400 51690745.1100 42510182.5600 46908906.2500 49045683.2000 44778191.2400 47747611.0000 43266878.3400 37118009.1800 43190944.6600 31363397.8700 44385129.1500 38737095.7400 59420484.8700 43226588.5100 42448155.1700 Ribonic acid+Xylonate 131553921.1000 88061435.7600 109767035.8000 68550630.5400 54736495.7500 89891322.1600 88750507.2100 92964823.7700 101369227.0000 129964147.0000 77205310.0100 83359371.6900 93486291.0100 82186329.4000 71490802.1100 71112753.1600 66186051.1300 71377654.7800 118334590.8000 175566716.9000 135467580.7000 127583482.4000 100564165.7000 120334443.0000 115343109.2000 120452888.3000 119638862.3000 182234543.3000 108179769.9000 115668072.4000 91033044.4200 110863009.6000 138653907.6000 124798505.0000 84672075.9500 108910944.3000 104271171.2000 144935401.3000 128451002.7000 129444718.7000 96628659.3900 86537836.7500 69359047.3900 95427243.7400 66066494.8100 78682546.8400 112281723.1000 88502325.5800 117179607.6000 76573645.2700 87806465.5800 104936847.1000 80381950.0300 65187562.8700 62500132.2600 76181360.8700 92798728.9600 193893305.3000 152286820.6000 138343210.5000 102653763.4000 100830979.2000 123528905.6000 104203866.4000 138114184.8000 113700201.4000 165902451.8000 165529179.6000 85482668.4300 118154744.0000 128359785.0000 117128568.0000 126156057.2000 111714713.2000 127276529.4000 130495497.6000 Ribose 21205821.5900 15703690.9400 16905428.7900 17508880.2700 14355277.3700 20919848.3400 13349378.6200 17286444.1700 17178951.9300 14677524.5500 16040558.7300 22751792.3100 18133213.8500 17104607.8000 19994469.2600 17420625.9200 16307614.8000 16868254.6900 21680874.5400 34606940.9400 23390651.2300 24038367.3500 27448372.0300 26102672.7500 30599666.0000 20075919.1400 21000030.9100 31924626.6600 20002978.6300 25777148.7600 28991497.7500 21083531.8300 26160584.4500 29241325.2100 21401937.0900 25165958.4700 28273512.9200 31049352.0600 22607464.7000 19319788.8700 22994874.7400 18727595.8100 19321753.5700 20592182.4200 14300324.2000 16310512.0400 22124386.5600 16136412.9100 24402466.4500 21741154.0800 20357787.5700 23530873.7200 22159071.0100 17948344.8100 19079711.9000 22517580.5400 22397218.6700 25316886.9100 20156388.7400 30401110.1700 24069011.7200 26498509.8500 27044140.0100 16752962.3000 18670172.1200 20058053.8300 21485084.8700 30330188.0100 26229239.0500 22292484.2600 29938206.6300 34008236.8800 24496597.6700 26086348.4300 27148536.5700 32554702.6500 Stearic acid-D35 153767528.2000 127443630.0000 85453713.7200 120755926.0000 113111735.0000 112509270.6000 135920960.6000 80732012.6300 103767539.9000 96185529.2500 120935926.1000 90696913.2400 143183600.0000 104010295.7000 119083775.6000 149096133.6000 82603081.3400 97551161.3900 147270208.3000 96234582.3500 82062311.4800 172792131.6000 123987283.6000 69519373.8300 118762122.8000 111112581.7000 70578748.4100 64388877.4000 129440696.8000 91780370.4600 98929372.5600 93114639.1900 77408465.9300 98237586.7600 123969427.0000 63428286.4200 149713210.9000 100653751.3000 96937835.4000 125764187.8000 119557890.5000 89818331.9700 91534409.9500 131474913.3000 161267534.5000 133141724.2000 121994621.0000 132649362.5000 88573071.7300 96201285.3300 102361889.8000 75126246.4800 64970099.1000 111775899.6000 135131558.3000 141164220.7000 129786143.4000 131045012.0000 98192981.6100 130236557.6000 87576002.0800 129609770.2000 120073220.7000 85072314.1600 76175450.0500 112969988.3000 107394026.4000 107931337.6000 115062948.2000 110605796.8000 161866351.7000 123405747.9000 83053162.8400 89905119.7500 89791647.5300 127438172.7000 Stearic acid(FFA(18:0) 3327374978.0000 2195575167.0000 1315753424.0000 2207715040.0000 2155927690.0000 1723182065.0000 2118517364.0000 935150613.8000 1803105583.0000 940165550.2000 1520269304.0000 1668950204.0000 1553002335.0000 1329297401.0000 2082174234.0000 2204515804.0000 1657269985.0000 3103661221.0000 2381194415.0000 2554124258.0000 963047716.9000 4260831645.0000 1357111252.0000 823113673.7000 1536233307.0000 1528931838.0000 880779413.3000 606924052.3000 2830953495.0000 2537503315.0000 2821660812.0000 2111636801.0000 1102152223.0000 1984490400.0000 1759043746.0000 796890708.2000 2090052810.0000 1126166952.0000 1917893459.0000 1925662263.0000 1418711828.0000 1107158055.0000 1010691533.0000 2058389674.0000 1402650851.0000 1506199654.0000 1333892775.0000 1768607793.0000 1182054774.0000 1314916357.0000 1783333927.0000 949994798.7000 778708854.1000 1418989391.0000 2005256680.0000 1674811501.0000 1373947620.0000 3807504399.0000 1832970168.0000 2088201648.0000 2207509091.0000 2828777486.0000 2591143552.0000 1593740638.0000 1992426822.0000 2087627069.0000 3229853762.0000 2654343447.0000 1568748700.0000 2758054010.0000 2294671439.0000 2519793214.0000 2377774058.0000 3025237809.0000 3577948224.0000 3908457830.0000 Stearidonic acid(FFA(18:4n3) 448040.1363 397051.2201 380467.9682 47333.6237 128210.4777 36486.4076 89870.3164 365437.5666 247871.2363 201450.1322 9535.4765 555340.2212 138019.5030 16498.4642 58380.0286 11414.8450 288164.4643 456894.7237 248511.8611 457846.7208 72352.5959 430902.0555 13772.3422 53023.4883 22208.3898 71063.7128 45968.3874 15857.3701 13502.6911 47038.4710 112944.5651 166155.9208 59375.0781 283229.2747 8272.5581 94969.8895 25677.0398 87191.4569 325418.5165 23147.0312 73720.1625 97775.5464 135242.8804 201261.3013 44457.6981 32558.8092 45916.9003 13209.7946 97337.6891 139530.4028 314920.3934 59000.6602 243970.2400 48485.7079 253690.6657 62625.2070 76047.7817 1152564.9460 368415.8664 16003.1711 354611.5927 548596.8107 304948.9709 172635.2788 399437.2064 242959.7391 477607.2702 347954.4958 353176.0163 743294.8679 51470.6174 565476.7879 308473.2645 498083.7573 218248.0325 342316.8622 Steroid-C21H34O3 monosulfate 94838.4457 128360.2770 136943.5537 54935.1892 70607.6004 34075.8394 140798.7604 233714.2154 217945.6895 56890.8006 113825.5226 454375.2983 54141.2014 71092.3529 126058.1804 15601.7527 154347.5616 71102.5321 92147.6465 201533.4030 55855.3536 164040.9032 61734.7889 80070.8275 65031.5695 146419.8289 169967.9711 91573.3450 169624.4611 57131.4954 393234.2033 56474.2386 37803.0578 95126.5627 101959.9502 187101.6784 47783.0393 104535.9470 95803.1136 65278.4797 141780.3637 73665.4731 58769.0292 52802.7834 76211.0081 201683.5750 100953.1690 161783.9631 66877.9327 93531.3178 65025.3320 19605.6314 52462.5934 119003.6436 176639.8675 31723.8392 121534.3983 147725.6742 66139.0830 238395.5324 78859.9025 87028.7460 55643.0075 89213.0345 107921.7683 144334.8805 164099.0708 228385.5719 166623.9416 60869.6819 94132.1395 173171.4211 67980.1323 234574.7078 101693.4852 111329.8094 Suberic acid(FFA(8:0-DC) 3059600.8050 2872949.7370 3397839.3950 2946066.7710 2991919.4560 2826857.0350 2450410.7600 3149458.2020 3487177.0780 3355958.4950 3225175.0850 2855411.4060 2850161.4830 2824165.1660 2865029.0180 2689372.1940 3385035.4400 3525217.3050 2903095.3130 4194908.8180 3070966.5650 3190785.5100 3170826.2760 3240483.0820 2944976.9610 3570870.8960 3251803.8990 3559214.1090 3138995.7610 3870028.4540 3401151.4960 3639670.5730 3830366.2900 3298376.5480 2513604.3770 2627666.4390 2699035.3340 3089879.3090 3572339.9180 2806634.1360 3041480.3950 2791614.6880 3226710.1270 2923946.4360 2747018.4520 2348832.4860 2732487.8350 2857762.6060 3427538.9930 2930291.1760 2783406.7930 3680409.7620 3195341.9520 2387203.9660 2614644.2770 2636821.9360 2984410.6370 3806825.7760 3278986.9330 3145122.4540 3749389.2030 3262736.8160 2953516.3110 3366279.9480 3806848.9680 2612260.5000 3335671.7610 3764617.8700 3789089.2910 3791055.7530 3274703.8840 3391496.8500 3673306.5950 3968024.9870 3826326.0400 3007003.8940 Succinic acid 12235326.5800 9508225.7830 9075315.7340 7210782.3750 8478844.9870 7726725.2210 7082491.3970 10044968.4000 10397207.7800 10106317.0200 7161085.5680 8621315.3210 8766330.4110 9158234.0410 9244266.2180 6405260.9330 9206136.2260 8610114.3900 7087592.7090 15545007.6300 8975038.2750 7931608.5020 7618975.0500 9141285.4970 8246842.7100 11802534.2900 13483894.1200 10739143.1500 7757554.5120 9988374.2830 9366135.6780 10714108.7400 11078565.3100 11590853.2000 7360650.3970 8243024.5480 7729519.4750 9151413.4800 9364608.9560 7046624.3270 8773327.4780 9053455.9160 9965980.7480 6981780.5500 8474256.2830 8499597.3920 8232875.6500 7590697.0500 10541441.0600 8849975.3960 7868343.0880 8525377.1960 9648651.1930 7090785.5350 7851022.6740 8341862.8710 8170472.5490 29766917.2700 16810462.8000 13788879.8000 14731525.3600 9770375.2880 9311485.3580 10372094.6600 13983676.0400 10891155.0600 11767380.5300 14515025.6200 13634047.6200 14443824.9600 10679854.8700 12273921.8600 12494415.8200 10707998.4000 14369105.2900 10627287.3000 Sulfate 48038031.8500 34492206.8800 27363749.5700 35617607.3500 33982856.9500 44587904.7400 37074930.6900 45099751.6700 33810569.5600 28491321.4300 41180142.7900 43513539.6000 37118991.6400 33314667.3700 42088077.8500 45695014.3300 44704005.7900 56726954.7700 43407552.7500 85180406.4000 54178391.5600 44656031.0900 75532832.3100 63799942.1600 65469297.8300 45974139.1600 62850538.4700 46708363.3300 51076098.3100 54548784.7400 84327617.6900 69832458.4800 63866305.2300 63453182.2800 66051586.9200 69317431.9800 52271424.4100 53847764.3400 44335377.0800 38160844.9100 28587458.1900 38973186.4700 36930267.6100 55385976.5100 34913382.6500 40471637.2100 39106355.9400 28013964.8000 43290424.0100 54081611.5500 40641882.9000 42832174.4000 42616956.4900 54200246.1000 44605845.5100 39717036.8800 39551251.9200 72217376.1700 55317613.6100 59490675.4300 71602138.7300 56200742.8900 81246331.8000 43965154.2700 69988107.9500 37896841.5000 51787318.8900 56303614.1600 95120118.3400 68529287.2100 70426168.7700 59431525.8800 81095656.6400 80704786.9200 60148989.3500 58583396.0100 Sulfolithocholylglycine 3931306.5020 47438041.1900 13229126.7500 11469025.6500 24710843.1800 18674966.1300 114403747.5000 18698144.4400 75880443.4600 1047784.3760 29873699.8700 40006499.6700 45028668.6200 98536232.5100 20429124.0400 42897734.5400 4501913.4910 37057593.5500 27007861.9000 2442192.1060 52557350.0300 33271689.4600 15992745.0200 54112390.7900 18811688.9600 13348771.6500 20278178.3700 71869130.9200 1466283.2330 31103495.8300 4808731.0340 57431450.7600 52469310.9000 23353427.7100 39858561.3900 2017697.3290 38728813.6500 14777054.0700 1906063.3060 49671801.9900 33872361.5700 18840706.5500 65274908.3200 30335311.2000 10592904.8400 25599920.0200 75904191.0500 1327732.4430 46080210.4800 6286094.6170 65325322.1700 49860648.1400 28796556.9400 43034033.7700 2494338.5640 22660336.9700 17792367.5300 3117948.2810 39616244.9300 24508393.7500 28270159.7200 65962984.3800 31439581.8900 6082625.0100 21008528.9500 33743479.5500 1240815.0700 31807849.8800 6436722.7280 45962681.5800 44281068.0100 24629500.9300 36078732.4600 2183414.7660 30502534.7300 14894870.4500 Taurochenodesoxycholic acid 5722341.8150 5776727.0250 20425928.9300 11940523.6200 10446145.7400 8840693.1870 17583615.0000 28472708.0400 555441.0769 34378354.9700 2557222.9200 4191265.6190 20005161.6800 23052749.8700 18981254.4300 11244221.1300 25101077.5400 44267900.6800 10529317.3200 11235091.2200 14582568.5800 32728088.1700 13366999.0900 22824076.1300 5602971.8210 28423643.5600 32521394.7900 7056192.8560 22263335.3400 3078216.3030 22781083.5000 8794391.1270 6412267.2590 5468605.3030 8963839.9840 29395795.6400 3680926.1500 4200743.9960 3700322.1430 7025961.3650 32237196.5000 8997826.2120 14165772.7700 11182976.7000 30185943.2200 30223335.6200 1422373.1760 77679545.6700 6281484.8440 25430457.6900 5112599.6080 12383743.3500 14221966.8200 13834537.2000 18754989.8100 3422556.8160 32127878.3400 28586640.2400 4511362.8980 57948766.9100 8788687.9280 9620142.7610 5112125.5410 4120883.9310 5624056.1160 483437.1294 29798219.7300 3092714.3090 13975948.8100 3208781.3990 8521786.8860 8921116.5940 8862763.4610 16463539.6400 4467842.2110 6741954.9670 Taurocholic acid 745793.2919 664935.1702 2705707.4040 1776594.2760 2653562.9110 1668476.9050 1947854.1260 3687156.2570 5560.4513 6412469.2890 344086.1772 411669.4540 2666283.5010 1813480.0570 4264680.8910 1468869.4390 4736656.6440 8825617.4460 1388312.0720 1046829.4970 1915633.0500 4616130.4420 1984625.6030 4537812.3230 1042088.3880 3256403.1290 3981606.7530 445061.7213 6421818.8280 466801.6494 1219749.7890 1625467.2440 459075.7026 777538.5377 1258581.2510 3917659.6810 1710868.3800 533636.5387 532498.2800 975618.5096 4383462.0640 1028872.9600 3994800.7320 1717115.2750 2652155.7050 3516244.7230 166140.1374 13740911.0100 767099.1490 1668354.0540 850347.3648 970964.5625 2638529.7520 2910891.7140 3348396.5610 795620.6437 4355372.0610 5280638.1310 567835.3378 5585783.1370 891954.6346 982368.6079 742478.2455 407065.5132 706863.2702 35958.6927 9341046.0990 528109.6660 874883.2937 598495.1754 640819.6889 1195141.9520 1661761.7260 2102800.0690 698088.2933 694192.2487 Taurodeoxycholic acid 515316.6904 2926043.4280 4757281.3260 2395465.9020 8813738.1030 2823155.7280 4218522.9570 5802044.2970 187927.0189 452482.2099 1182030.4020 795056.8311 12533202.3700 3749329.4840 9152579.0270 5669506.0700 3040570.0150 25777012.3000 1146625.7950 636607.5453 7000860.8490 8284534.3410 3023834.1550 19388776.6800 1970038.0900 6351573.4100 7882543.6020 2069521.4470 406271.0129 1674227.6410 3501768.5410 6351882.4050 1177630.5180 2914941.4930 4916631.8210 2971090.6610 2523138.3550 500304.1778 230157.6758 3698882.3870 7268395.0710 1445226.4610 12390177.1300 3675322.7010 5430213.2170 5388711.0020 474353.3597 973022.8538 3039971.1260 4219411.9200 2837451.8040 2351579.8560 8635159.2920 6083490.1810 2691854.8330 2160525.1490 3023224.8390 1461784.8710 2065870.1290 11111175.5300 1318838.5820 5587778.8980 1709585.2700 855460.5843 1132050.8690 192060.4849 417868.6885 1586177.0500 2302805.7630 1780507.8300 1666731.6400 4482746.7100 3924311.7770 1811467.9290 2515976.6590 725694.5766 Taurolithocholic acid 3-sulfate 5721.7871 478846.7051 214846.3430 41484.5767 161438.9797 153461.9789 418714.7248 129547.9633 216815.9862 2729.6333 14067.6406 140434.1317 221615.9396 510897.5440 183890.7301 314189.5380 17344.0866 383777.7302 283168.7343 9911.8245 434989.2934 728931.5696 84804.3635 515978.3738 131775.2672 70063.4389 264254.8335 215333.8931 2606.4599 38332.8879 32965.1291 426905.7221 189944.0268 181225.5995 390244.3319 21044.2377 229380.8933 105502.0523 2730.6596 669492.0894 477650.1452 64859.7815 462023.2412 149640.6822 37399.3486 220467.4853 255841.3181 2600.5338 73747.5995 50499.2465 411170.8533 149909.2801 237257.1416 429418.7622 15573.6338 125682.0681 134337.0136 5459.6797 405730.7849 408526.8820 111589.3575 691143.0566 146386.8464 18988.7629 178998.4801 48981.9216 2709.3502 49817.2552 27692.8635 195875.6283 196115.6223 256690.0812 280916.2139 13260.3412 175626.8213 112091.1602 Testosterone sulfate (1) 3358496.7490 1772950.0100 2396733.3400 2077132.4890 3178961.1720 2883269.5290 4049517.5190 2367741.0010 2639011.2030 1381507.4640 4491317.1380 4903.5005 3953211.9130 5801795.9350 3247883.9630 2338593.3450 4439139.0180 2310659.2660 2608573.8010 4138364.7680 1855782.2660 3139686.0000 2214826.8960 3874229.2850 3076018.7670 3996911.4020 2541978.4000 2345004.3110 1806737.9890 4656227.9280 3947983.3530 3504551.1110 6298877.0870 3142175.7870 2998554.0560 5007324.6800 2869006.6640 2595555.0370 2875917.7520 1887419.9380 2809963.3090 1807460.4240 3631064.2220 3285245.3370 3884188.4260 2743163.8220 2459289.7250 1686157.6880 4527263.7470 3522980.9230 3907708.5170 4633.1240 2857965.8590 3201490.5150 5042762.1120 2719682.5540 2792156.4520 3888766.7170 2041244.9740 3262192.5170 2058494.1040 4805347.1540 3274388.0970 3896649.9480 2767250.4880 2328414.1000 1721223.3810 4565.0378 4494462.4240 4136667.0550 6378150.5180 3888552.8270 3067615.5820 3104.9273 2520064.7040 2917648.4240 Tetracosahexaenoic acid(FFA(24:6) 3326235.9210 2355090.2920 977304.2031 606697.2759 579506.6294 593649.1483 1778882.5330 783443.3159 2161721.3600 376465.1262 228265.1803 2179700.0550 279733.4365 765058.7011 1634185.6380 163837.3507 737343.0827 507384.1629 346687.4378 3799177.6900 435818.5548 7846938.1960 232463.2365 246640.3028 354065.1966 975774.6720 234694.7969 50824.5445 317524.6805 228552.9859 822055.2341 347873.9559 374020.5668 3011493.4680 310621.7012 394449.2864 1119126.9360 327136.1040 2125737.1090 1254082.8890 791930.7932 865185.0659 455007.0219 116298.8576 1153836.0360 514741.8988 787615.5946 556817.6647 241788.3489 886588.4291 509299.4998 329948.9386 1312548.0820 275634.5760 2054373.7240 704631.0542 283589.7157 5815374.8620 2033307.6680 2172294.6700 3043651.0710 2211804.5880 1016947.5490 2460578.4100 2894369.8280 1278820.7260 1356621.5190 1591679.3040 1183415.9130 1541844.7950 1375812.7850 4150600.5970 3007450.7800 3111156.1910 903837.4104 753125.7719 Tetradecanedioic acid(FFA(14:2-DC) 1923514.5220 2510189.4930 5508780.6780 622119.4936 2700890.5920 1563521.3340 2400349.2900 1936924.3130 2003948.7930 1288562.4340 1734365.7890 3198990.9800 2368814.8990 2928511.4830 1204580.8450 2264792.7500 2550441.0400 2275534.7940 2798820.4870 3169608.7300 3509949.9830 4840693.1450 1284493.4600 1486314.4640 2938482.1700 2642248.7960 3916804.3660 2832663.4700 1927275.4450 3192559.2740 2966835.0010 4538078.3930 5315797.1930 1609628.6080 4653546.8880 3603844.0820 6129869.2500 3809582.7470 3980372.3880 2313463.9110 4287561.1080 1792719.3030 2057723.5740 4059016.3860 3728496.9570 4182025.4680 1610918.4840 3185709.3290 5370067.5440 3648846.9580 4822408.9850 7585254.3480 2296477.1860 4549283.6960 2773470.8460 9663878.2470 3813776.8550 4155277.2530 3901872.7320 5261602.8480 1998911.6860 1768866.3650 3911925.5110 3730236.7940 5499793.8150 1867600.5340 3670529.0070 5225009.2380 3753899.9700 7268723.6020 5890580.1510 2259941.7750 8773959.8240 4532866.3670 10206368.2800 3878966.1740 Tetradecanedioic acid(FFA(14:2-DC) isomer1 1624052.0800 1232263.7160 8886335.2940 3314774.7640 2875991.7220 1271382.0170 11226331.7800 3528816.6330 5142831.8510 3303892.4710 2967529.3930 2463594.6430 6005046.4540 2487667.8800 1940300.2060 5704648.1970 4493504.2880 4496695.8700 1069858.1430 8609573.9270 2428741.8470 25210494.0200 1380447.1510 1817470.6100 1117221.8850 2969813.7410 5792406.4470 3074158.3640 2845274.0660 2566394.4590 4218179.3870 3339717.9840 1632393.6230 3917442.6370 2158499.4740 2450019.1170 2485085.0470 1857549.7720 1603699.5490 1657997.7900 7468296.3000 3077598.0850 2098901.1460 1828206.6730 6485059.0950 3957950.9040 1841270.3990 2200624.0340 4844613.4900 5603007.9110 2659673.1080 1975301.8950 3531199.5050 10759128.6600 3624131.5720 1178953.2080 2294298.7540 3778718.8010 1956234.1350 6385227.5810 5940149.8110 6895827.0920 2691081.4430 5156495.9930 9452965.3510 9074737.4520 8739234.1430 10012672.5100 3886962.3990 9809531.0450 1771020.1390 7403108.3240 14870960.0300 14519537.7300 3142275.8800 6788767.7090 Tetradecanedioic acid(FFA(14:2-DC) isomer2 546805.7580 838115.1283 520758.8495 375504.4862 223903.4833 413981.6007 12129.5672 1289716.8930 405878.7412 746542.0363 376408.3750 1225727.8630 636329.9296 235841.1930 515372.1291 245251.1015 557674.9833 609673.8107 879679.6404 239765.3390 1281985.6930 352259.9931 287051.3764 179963.9865 239684.4654 181269.9822 412472.2868 528681.6734 239497.9681 911711.1303 688209.3774 346997.5717 330023.0982 221444.7356 208941.8865 169056.7891 225295.0907 121923.6714 274140.0739 1710658.6810 453143.5513 471794.7716 232765.4481 262839.5765 177142.6495 342747.6755 547145.6960 285766.4648 1392761.7070 896467.3894 347081.2955 367655.6574 252859.5205 204328.1397 205418.6823 273578.8871 113822.6100 301658.6807 1705100.9580 394514.9570 422450.0417 159202.7639 267481.0237 169594.8512 453663.6083 445939.5664 348945.6250 1344969.9130 836348.3245 455476.1762 263768.2367 217142.9723 255705.3444 181973.3298 276993.3909 136094.6060 Tetradecanedioic acid(FFA(14:2-DC) isomer3 357832.8814 470462.5728 266178.0855 194308.5970 122296.7655 199501.3718 12110.8321 814901.6829 149845.2391 517928.1568 182995.8003 683811.5864 345929.0630 164092.2097 337727.3526 191246.9177 385180.7144 386531.2731 624255.5015 126539.3973 782701.9500 231745.5354 172993.5764 137403.8597 105940.4618 81151.9369 181714.6708 208069.5280 195473.0311 470716.1379 377946.4734 123556.1892 163890.8961 92519.8480 98741.5092 97655.4624 157737.7720 106981.3734 130942.7116 1088491.8190 214869.9373 259772.5338 174987.7835 108187.3166 47332.8503 155013.1604 176703.6596 216483.1746 677426.6289 530689.4512 123702.7122 175715.2322 132106.4689 101566.4406 163580.9491 189607.7581 86470.2271 154097.2054 1027858.7540 194426.3817 218602.0378 146825.3142 139396.0954 95159.4724 193437.2401 152363.7918 189191.8456 669931.7086 508192.7476 168273.2167 146174.8981 94935.9058 120985.8842 86148.8742 219172.3509 120531.4558 Threonic acid 481133091.1000 386728755.8000 348514137.2000 286700583.0000 228552512.2000 293445110.4000 378720156.7000 306391374.3000 367069469.9000 413465077.5000 266158530.3000 206676717.4000 323163986.0000 335115830.3000 241017081.0000 208022474.4000 232770504.5000 227285491.1000 330591326.3000 471260005.3000 432523398.1000 467869918.6000 367482432.5000 309538317.3000 307599907.5000 373150825.2000 340788861.9000 438147208.4000 426730206.0000 314346683.3000 228640860.8000 320745661.1000 351422443.3000 390153015.9000 247123323.9000 294049021.5000 304292410.9000 413313321.4000 517381108.0000 479644542.8000 394557549.9000 352319884.5000 282748113.4000 265951480.5000 312553580.4000 327155284.2000 416217086.0000 341605605.2000 332320361.3000 197276802.0000 406043827.2000 316738614.5000 286749410.7000 224623394.1000 233247399.9000 269948360.6000 303897631.2000 544891077.7000 508333256.4000 509399495.9000 366525885.7000 353006684.6000 323760637.9000 402508029.8000 420184683.7000 391535001.6000 495361367.4000 391404341.3000 234980217.5000 344175209.7000 464404715.5000 397910504.2000 340760006.7000 301628484.1000 273528665.2000 322017989.2000 Thymidine 8494.6580 619.0209 1963.6705 619.0209 619.0209 619.0209 619.0209 59458.3213 21326.0292 24818.0341 619.0209 50904.7960 619.0209 619.0209 619.0209 619.0209 46849.8612 3051.1479 619.0209 4063.1603 6489.5145 619.0209 275647.0268 33620.2506 619.0209 22035.7660 27361.0640 14683.7330 619.0209 18599.2953 1238.0418 13906.5695 13111.3739 18162.9700 619.0209 27467.8813 619.0209 21084.1205 2722.8436 619.0209 619.0209 40004.3933 11227.4244 619.0209 619.0209 619.0209 619.0209 619.0209 11028.8112 21363.2413 619.0209 2951.2143 15315.9206 619.0209 619.0209 619.0209 619.0209 4776.3227 25154.8004 619.0209 34968.5431 619.0209 619.0209 43181.8945 3093.4552 619.0209 50015.7570 3800.3283 24141.8592 11351.2432 619.0209 619.0209 2651.5306 8507.6482 19427.4009 619.0209 Tricosanoic acid(FFA(23:0) 16277049.0300 17679241.5600 9657436.6880 6732306.5820 4327020.7530 6692105.8360 5101879.4820 11238306.0100 13460612.2200 15025204.0900 5390782.6720 13765649.2100 14586798.2200 7825576.3090 4881021.0920 6069667.4470 6492150.3690 14721458.5300 10094240.5900 15722369.8400 15737779.4300 13611506.1200 7794954.3190 4876447.2440 8285282.2890 11632986.9900 6222960.1670 7755193.9080 10851066.0700 9303123.1380 10948154.1000 12730909.8600 8141011.0750 8911817.4190 5284515.6670 3665351.8020 5277360.0750 10583382.4900 13563356.0000 16078786.4600 5270398.3460 11449162.1400 8329681.9100 8769672.2090 8289011.5420 7849341.5440 9145782.8430 16649317.1400 12797117.3100 11336082.1700 6788662.0800 9321872.8060 4494628.2660 2605488.8090 6993745.4120 5264066.0390 6523904.6460 21109930.9100 24625669.4100 4452727.9190 8737207.9550 2751013.4820 7252283.5840 7165200.2130 7534591.4990 5678793.6520 16273742.6600 17581570.9300 12101114.2200 20863407.5900 10997716.1700 1948914.7510 5420896.5250 5112930.4450 5766989.4380 7109025.6850 Uridine 30060224.8900 21319512.8500 28017829.5500 19284598.4200 20080491.3000 21597419.5200 18977864.4400 31384024.4000 27848217.9300 25370242.5100 19421558.2500 36895986.2400 17555985.5300 19656593.2900 22949157.9500 17276305.3300 27266417.9600 32039119.9500 18522775.8700 44588317.9000 21343079.0900 18555569.7100 16872597.3700 23884774.7500 23247478.1500 18949269.3500 24896502.6600 20355297.6800 16145867.7400 23998375.2400 24846265.1400 22453509.3600 22630100.4700 29634898.8100 19618898.6400 24387845.8100 20801508.4600 29858710.7100 39941279.1200 18876056.6600 16989954.8600 27371280.1100 26735266.6200 22673478.1900 13385032.9900 22771054.7300 20151350.2500 15743421.6200 21453038.0500 24633710.4400 19779278.7400 22998263.1700 28379191.9800 18707859.4900 18284983.8000 19895452.4200 17706686.3700 61114417.4700 29862083.9400 21077278.1800 25441111.2900 17903850.1200 21107655.0400 19990349.6000 38866384.3300 25699390.2900 28372347.7600 27345287.2700 20819546.3700 30123305.2800 17139580.2500 23851729.7000 26586439.5400 28327860.5500 29438243.8000 20450158.7100 Ursocholic acid+Alpha-Muricholic acid+Beta-Muricholic acid 385638.4809 72077.7420 346289.3679 783413.7840 951222.5584 111275.4188 2086.4196 771958.9409 920699.2949 153864.2644 35744.6776 139010.0139 48636.9982 60935.1579 541340.2746 21184.9323 370734.5343 104283.2419 43670.2512 1556243.3760 227681.3168 313275.7065 2836.0063 1272.7523 48145.8775 631916.2745 179991.6938 171236.2803 344712.5701 125571.0330 156636.0687 171043.2250 32560.2242 472411.3825 10321.4425 615576.5577 110579.3735 180835.6044 259727.2993 17987.0502 378578.3401 208521.5315 3861.2296 60937.9244 721337.8571 215712.9567 98555.5820 354585.2473 410143.9497 636285.2296 7869.8529 109133.6096 100905.0727 62501.0503 316753.5528 15645.5079 38451.5315 941772.1111 1658531.3860 494920.2375 289451.0291 3763.9286 56668.0465 782160.9842 203991.3157 251274.7799 462872.0066 526339.0941 731995.4883 175441.5681 109164.9416 217533.4861 184113.6581 641676.5582 89406.9221 84761.6690 Ursodeoxycholic acid 7120365.6410 1203807.6520 2199503.0210 3696178.8450 4501345.0410 9546774.0000 4399440.1290 10675506.9100 10561826.7800 3722073.0990 2166417.1990 7629184.0390 2717151.3660 1039014.0010 4923056.3760 2627135.5160 3452456.9970 1986576.2980 977070.6331 16246709.5800 1505227.0560 612984.5747 744307.3159 2010533.7080 594461.5648 5174269.1600 2042445.8260 3963762.9320 6135429.5980 3025689.8690 9041022.7790 2847795.7320 1219594.8620 1382474.9180 4038737.2820 8476762.9100 2599801.6710 597238.4535 4513865.4870 5828945.8090 1275792.0770 5444781.2680 3959964.8320 2007938.2650 7592061.1600 15052527.9600 2499378.8080 4673025.8750 4632109.2070 17318875.0900 2303716.0900 5073691.7870 3867113.7020 1648593.2830 4248609.6070 917691.2978 1093463.4580 25189437.5700 3845882.5730 7760540.5330 1624587.9120 3618203.3140 1029328.7640 2467188.1410 7215652.5880 2718835.3990 3353215.3400 4514538.9830 20482799.3000 8301327.0110 1149738.8670 8002431.8960 2787002.2550 10059410.1100 710835.1117 885216.1546 Valeric acid(FFA(5:0) 1867282.4580 1655179.8730 2366704.6770 2618095.4900 1592372.7990 1934405.5300 3001191.4550 3836951.4040 1675263.6610 2960400.4380 2177058.2440 1698652.5200 1800531.3250 3017374.1280 1886165.6000 2264523.9740 2348063.5960 2708582.2520 2000156.0760 1874030.8230 1689148.7910 1945819.1520 2678539.7240 1441003.2000 2588186.3630 2119519.7990 3108439.8200 1419966.7770 1742471.8580 2157254.0400 2855525.3850 1415410.9840 2372276.8100 2243874.7440 2459944.0840 2545857.4730 2527223.5500 2133871.1590 2264173.9640 2654014.6140 2460643.0320 1746462.8980 1523076.6980 1735889.6790 3292978.8820 2821226.3740 1671063.8600 1443619.1020 3330783.8770 2405691.5140 1455807.6490 2617215.4760 1788454.3480 1635851.8780 1881129.6140 1771802.1520 1981092.6670 2391405.2990 2758072.9120 2004699.2950 3538488.0670 1948469.8290 1726415.3310 1472991.1050 1679463.7260 1899285.6990 2155113.8630 2594828.5760 3199676.8840 1785308.9070 2632841.0150 2354442.8150 2590005.6140 3455847.1450 2345027.7490 2044006.1690 Valerylglycine 272016.0026 3812.4324 107778.7530 114316.0566 51352.8707 157979.7990 248511.5741 229226.3104 160361.7688 333176.4616 60935.1566 332392.3776 184277.6974 154946.5960 332024.2845 182169.4694 47957.6049 148651.0992 95664.3425 3342.7785 116596.9474 158066.6196 370951.5379 149941.0687 254723.2186 244698.9575 96339.8381 179469.9339 141018.8300 185038.9500 156873.9629 182169.2711 132154.6119 280942.9301 67445.4818 6461.3366 3634.0810 211501.0591 283089.8926 99322.8206 191922.1483 127536.9132 114410.1051 217014.0180 176325.4402 79184.0164 177745.9453 382113.1139 188216.9433 213858.0601 311954.3162 117081.0311 207292.1958 125831.1949 122902.0967 51315.2540 173120.4059 276496.8474 45040.1636 158339.2991 184858.7597 51557.0610 244388.7995 127445.3570 134464.3318 133001.4157 126816.8722 183969.1213 318037.3438 210315.0001 238500.9954 271800.9129 215902.6025 181366.7476 14897.2341 57651.9695 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 11-HETE 9.52 319.22787 12,13-DHOME 7.65 313.23843 12-HETE 9.2 319.22787 12-Hydroxystearic acid 9.81 299.25917 14-Hydroxymyristic acid(FFA(14:0-OH) 7.13 243.19657 1,5-Anhydrosorbitol 0.62 163.0612 15-HETE 8.85 319.22787 16-Hydroxyhexadecanoic acid 8.35 271.22787 1,7-Dimethyluric acid 0.86 195.05236 2,3-Dihydroxy-5-methylthio-4-pentenoic acid(DMTPA) 0.65 177.0227 2-Hydroxy-3-methylbutyric acid+3-Hydroxy-3-methylbutyric acid 0.83 117.05572 2-Hydroxybutyric acid+3-Hydroxybutyric acid 0.61 103.04007 2-Hydroxydodecanoic acid 8.15 215.16527 2-Hydroxyglutaric acid 0.51 147.0299 2-Hydroxymyristic acid(FFA(14:0-OH) 9.02 243.19657 2-Hydroxystearic acid 10.92 299.25917 2-Methylcitric acid 0.48 205.03538 2-O-Methylascorbic acid 0.59 189.04046 2'-O-Methyluridine 1.22 257.07791 3,4-Dihydroxybutyric acid 0.59 119.03498 3beta-Hydroxy-5-cholenoic acid 7.7 373.27482 3beta-Hydroxy-5-cholenoic acid glycine conjugate 3-O-sulfate 6.1 254.62291 3beta-Hydroxy-5-cholenoic acid taurine conjugate 3-O-sulfate 6.23 279.61423 3beta-Hydroxy-5-cholestenoic acid 9.51 415.32177 3b-Hydroxy-5-cholenoic acid glycine conjugate 7.7 430.29628 3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid 4.47 267.1238 3-Epideoxycholic acidacid 7.07 391.28538 3-Hydroxycapric acid(FFA(10:0-OH) 6.17 187.13397 3-Hydroxydodecanoic acid 7.74 215.16527 3-Hydroxyhexadecanoic acid 10.1 271.22787 3-Hydroxyhexanoic acid 1.1 131.07137 3-Hydroxyhippuric acid 1.06 194.04588 3-Hydroxymethylglutaric acid 0.59 161.04555 3-Hydroxymyristic acid(FFA(14:0-OH) 8.83 243.19657 3-Hydroxyoctanoic acid(FFA(8:0-OH) 3.97 159.10267 3-Hydroxypyridine sulfate 1.03 173.98665 3-Hydroxystearic acid 10.85 299.25917 3-Methyl-2-oxovaleric acid 1.57 129.05572 3-Methylglutaconic acid 0.59 143.03498 3-Oxotetradecanoic acid 8.68 241.18092 (4E,15E)-Bilirubin IXa 6.4 583.25621 (4E,15Z)-Bilirubin IXa 6.64 583.25621 4-Hydroxychlorothalonil 6.37 244.90817 4-Hydroxyproline 0.53 130.05097 4-Methylcatechol 1-sulfate 3.13 203.00197 4-Methylcatechol 2-sulfate 2.9 203.00197 4-Vinylphenol sulfate 4.45 199.00705 5,6-Dihydrouridine 0.64 245.07791 5alpha-Pregnan-3beta,20alpha-diol disulfate 5.2 239.0853 5beta-Pregnanediol sulfate 7.1 397.20542 5-HETE 9.8 319.22787 5-Hydroxyhexadecanoic acid 9.56 271.22787 5-Methyluridine 1.22 257.07791 6-Oxopiperidine-2-carboxylic acid 0.64 142.05097 7alpha-Hydroxy-3-oxo-4-cholestenoate 8.5 429.30103 7alpha-Hydroxy-3-oxo-4-cholestenoate isomer 8.36 429.30103 9,10-DHOME 7.99 313.23843 9-Decenoic acid(FFA(10:1n1) 6.25 169.1234 9-HODE 8.82 295.22787 Acesulfame 0.92 161.98665 Acetylglycine 0.53 116.03532 Allantoin 0.59 157.03671 alpha-Ketoisovaleric acid 0.87 115.04007 Alpha-Linolenic acid(FFA(18:3n3) 9.77 277.2173 Aminoadipic acid 0.53 160.06153 Androstenediol disulfate (1) 4.5 224.06183 Androstenediol disulfate (2) 4.95 224.06183 Androsterone O-glucuronide 6.99 465.24939 Androsterone sulfate (1) 5.83 369.17412 Androsterone sulfate (2) 5.97 369.17412 Androsterone sulfate (3) 6.8 369.17412 Androsterone sulfate (4) 7.2 369.17412 Androsterone sulfate (5) 7.55 369.17412 Arachidic acid(FFA(20:0) 12.08 311.29555 Arachidonic acid(FFA(20:4) 10.3 303.23295 Ascorbic acid 0.53 175.02481 Ascorbic acid-2-sulfate 0.51 254.98163 Aspirin 10.3 179.03498 Azelaic acid(FFA(9:0-DC) 0.64 187.09758 Behenic acid(FFA(22:0) 12.59 339.32685 Benzeneacetamide-4-O-sulphate 3.35 230.01287 Bromide 0.58 80.91684 Bromo-tryptophan 4.3 280.99311 Capryloylglycine 5.61 200.12922 CDCA-D4 8.07 395.31049 Chenodeoxycholic acid 8.03 391.28538 Chenodeoxycholic acid glycine conjugate 8.1 448.30685 Chloramphenicol-D5 5.6 326.03643 Cholesterol sulfate 12.27 465.3044 cis-Aconitic acid 0.48 173.00916 Citric acid 0.53 191.01973 C-Mannosyl Alanine 0.53 250.09323 C-Mannosyl Asparagine 0.53 293.09904 C-Mannosyl Glutamine 0.53 307.11469 C-Mannosyl Glycine 0.53 236.07758 C-Mannosyl Leucine 0.9 292.14018 C-Mannosyl Serine 0.53 266.08814 C-Mannosyl Threonine 0.53 280.10379 C-Mannosyl Valine 0.64 278.12453 Corticosterone 7.72 345.20713 Cys-Cys 0.58 223.02166 Cysteine-S-sulfate 0.53 199.96929 Daidzein 4.61 253.05063 Dehydroepiandrosterone sulfate 6.96 367.15847 Deoxycholic acid 8.3 391.28538 Deoxycholic acid glycine conjugate 8.3 448.30685 Deoxycholic acid isomer 1 8.45 391.28538 Deoxycholic acid isomer 2 8.69 391.28538 Deoxycholic acid isomer 3 8.89 391.28538 Desaminotyrosine 1.01 165.05572 Dihydronaringenin-O-sulphate 4.17 353.03366 Docosadienoate(FFA(22:2) 11.7 335.29555 Docosahexaenoic acid(FFA(22:6) 10.51 327.23295 Docosapentaenoic acid(FFA(22:5n3) 10.72 329.2486 Docosapentaenoic acid(FFA(22:5n6) 10.5 329.2486 Dodecanedioic acid(FFA(12:0-DC) 2.8 229.14453 Dodecenoic acid(FFA(12:1) 8 197.1547 EDTA 0.53 291.08339 Eicosadienoic acid(FFA(20:2n6) 11.1 307.26425 Eicosanedioic acid(FFA(20:0-DC) 8.08 341.26973 Eicosapentaenoic acid(FFA(20:5) 9.8 301.2173 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 Eicosenoic acid(FFA(20:1) 11.55 309.2799 Enterolactone sulfate 5.15 377.07005 Erucic acid(FFA(22:1n9) 12.13 337.3112 Ethyl beta-D-glucopyranoside 0.95 207.08741 Ethylparaben sufate 4.74 245.01253 Fluconazole 4.85 305.09679 Formiminoglutamic acid 0.53 173.05678 Fumaric acid 0.51 115.00368 gamma-CEHC 4.43 263.12888 gamma-Glu-Gly 0.53 203.06734 Gluconic acid 0.53 195.05103 Gluconolactone 0.55 177.04046 Glucose+myo-Inositol 0.59 179.05611 Glucuronic acid 0.53 193.03538 Glutaric acid 0.59 131.03498 Glycerol 0.64 91.04007 Glycochenodeoxycholate-3-sulfate 6.23 528.26366 Glycocholic acid 7.34 464.30176 Glycodeoxycholate-3-sulfate 6.34 528.26366 Glycohyocholic acid 6.74 464.30176 Glycoursodeoxycholate-3-sulfate 5.3 528.26366 Glycoursodeoxycholic acid 7.2 448.30685 Heptadecanoic acid(FFA(17:0) 11.1 269.2486 Heptadecenoic acid(FFA(17:1) 10.4 267.23295 Hexadecadienoic acid(FFA(16:2) 9.71 251.20165 Hexadecanedioate(FFA(16:1-DC) 5.34 283.19148 Hexadecanedioic acid(FFA(16:0-DC) 5.5 285.20713 Hexanoylglycine 3.32 172.09792 Human Fibrinopeptide A residual [2-16, DSGEGDFLAEGGGVR] 2.69 731.31677 Human Fibrinopeptide B residual [1-13, XGVNDNEEGFFSA] 2.77 696.77167 Hydroxy-CMPF 0.63 255.08741 Hydroxyhexadecanoic acid isomer1 8.72 271.22787 Hydroxyhexadecanoic acid isomer2 9.07 271.22787 Hyocholic acid 6.91 407.2803 Hyodeoxycholic acid 6.93 391.28538 Imidazolelactic acid 0.59 155.04622 Indole-3-pyruvic acid 2.69 202.05097 Iodide 0.59 126.90502 Isooctadecanedioic acid(FFA(18:0-DC) 6.5 313.23843 Isoursodeoxycholic acid 6.35 391.28538 Lactic acid 0.58 89.02442 L-Cysteinylglycine disulfide 0.54 296.03804 Leu-Glu 0.9 259.12994 Linoleic acid(FFA(18:2n6) 10.3 279.23295 L-Valine 0.66 116.0717 LysoPA(0:0/18:1) 11.96 435.25171 LysoPA(0:0/18:2) 11.41 433.23606 LysoPA(0:0/20:4) 11.31 457.23606 LysoPA(16:0/0:0) 12.02 409.23606 LysoPA(18:1/0:0) 12.13 435.25171 LysoPA(18:2/0:0) 11.59 433.23606 LysoPA(20:4/0:0) 11.52 457.23606 LysoPI(0:0/18:0) 11.26 599.32019 LysoPI(0:0/18:2) 10 595.28889 LysoPI(0:0/20:4) 10.04 619.28889 LysoPI(16:0/0:0) 10.52 571.28889 LysoPI(18:0/0:0) 11.39 599.32019 LysoPI(18:1) 10.72 597.30454 LysoPI(18:2/0:0) 10.2 595.28889 LysoPI(20:3) 10.5 621.30454 LysoPI(20:4/0:0) 10.18 619.28889 Malic acid 0.53 133.01425 Mannitol+Sorbitol 0.59 181.07176 Methyl beta-D-glucopyranoside 0.64 193.07176 Methyldodecanoic acid(FFA(13:0-CH3) 9.2 213.186 Methyl hexadecanoic acid(FFA(17:0-CH3) 10.9 269.2486 Methylmyristic acid(FFA(15:0-CH3) 10 241.2173 Methylpyrogallol sulfate 2.53 218.99688 Methylsuccinic acid 0.59 131.03498 Monoethylhexyl phthalic acid 7.95 277.14453 Myristoleic acid(FFA(14:1n5) 9.2 225.186 N4-Acetylsulfamethoxazole 2.99 294.0554 N5-Acetylornithine 0.61 173.09317 N-Acetylaminooctanoic acid 4.83 200.12922 N-Acetylglucosamine sulfate 0.59 300.03947 N-Acetyl-L-aspartic acid 0.53 174.0408 N-Acetyltaurine 0.59 166.01795 N-Acetylthreonine 0.61 160.06153 NegX-RT171MZ00 2.88 200.02879 NegX-RT295MZ165 5.13 165.0921 NegX-RT32MZ129 0.49 129.01933 NegX-RT37MZ197 0.59 197.03163 NegX-RT385MZ193 6.64 193.1234 NegX-RT40MZ141 0.66 140.97807 NegX-RT413MZ424(containing nitrate) 6.88 424.19769 NegX-RT439MZ313 7.29 313.12007 NegX-RT464MZ239 8.02 239.16558 NegX-RT539MZ295 8.99 295.22787 NegX-RT573-C18H34O4 9.55 313.23843 Nervonic acid(FFA(24:1) 12.61 365.3425 N-Formyl-L-methionine 0.95 176.03869 N-Oleoyl-Serine 10.6 368.28063 Nonadecenoic acid(FFA(19:1) 11.2 295.26425 N-Palmitoyl Serine 10.4 342.26498 Octadecanedioic acid(FFA(18:0-DC) 6.8 313.23843 Octadecendioic acid(FFA(18:1-DC) 6.47 311.22278 Octyl butanoate 9.75 199.17035 Oleic acid(FFA(18:1n9) 10.86 281.2486 Oleoylethanolamide 12.4 324.2908 O-Methoxycatechol-O-sulphate 2.4 203.00197 O-Sulfotyrosine 0.61 260.02343 Oxalic acid 0.53 88.98803 Oxoglutaric acid 0.53 145.01425 Palmitic acid-[13C]16 10.65 271.28663 Palmitic acid(FFA(16:0) 10.6 255.23295 Palmitoleic acid(FFA(16:1) 10.24 253.2173 Paraxanthine 2.46 179.05745 p-Cresol glucuronide 2.3 283.08233 Pentadecanoic acid(FFA(15:0) 10.2 241.2173 Perfluorooctanoic acid(PFOA) 7.9 412.96643 Phe-Leu 5.03 277.15577 Phenyllactic acid 2.07 165.05572 Phosphate 0.29 96.96962 Pregnandiol sulfate (1) 7.75 399.22107 Pregnanediol monosulfate 7.3 399.22107 Pregnanediol O-glucuronide 7.31 495.29634 Pregnenolone-3,21-disulfate 5 245.06711 Pregnenolone sulfate 7.56 395.18977 Propylparaben sulfate 5.7 259.02818 Pyrogallol-1-O-sulphate 0.59 204.98123 Pyrogallol-2-O-sulphate 1.57 204.98123 Pyruvic acid 0.53 87.00877 Ribonic acid+Xylonate 0.53 165.04046 Ribose 0.59 149.04555 Stearic acid-D35 11.33 318.48394 Stearic acid(FFA(18:0) 11.45 283.26425 Stearidonic acid(FFA(18:4n3) 9.63 275.20165 Steroid-C21H34O3 monosulfate 6.69 413.20033 Suberic acid(FFA(8:0-DC) 0.61 173.08193 Succinic acid 0.51 117.01933 Sulfate 0.51 96.9601 Sulfolithocholylglycine 6.85 512.26875 Taurochenodesoxycholic acid 8.15 498.28948 Taurocholic acid 7.4 514.2844 Taurodeoxycholic acid 8.37 498.28948 Taurolithocholic acid 3-sulfate 6.96 562.25138 Testosterone sulfate (1) 7.2 367.15847 Tetracosahexaenoic acid(FFA(24:6) 11.04 355.26425 Tetradecanedioic acid(FFA(14:2-DC) 4.06 257.17583 Tetradecanedioic acid(FFA(14:2-DC) isomer1 4.25 257.17583 Tetradecanedioic acid(FFA(14:2-DC) isomer2 4.39 257.17583 Tetradecanedioic acid(FFA(14:2-DC) isomer3 4.54 257.17583 Threonic acid 0.54 135.0299 Thymidine 1.63 241.08299 Tricosanoic acid(FFA(23:0) 12.63 353.3425 Uridine 0.64 243.06226 Ursocholic acid+Alpha-Muricholic acid+Beta-Muricholic acid 6.1 407.2803 Ursodeoxycholic acid 6.85 391.28538 Valeric acid(FFA(5:0) 0.93 101.0608 Valerylglycine 1.78 158.08227 METABOLITES_END #END