#METABOLOMICS WORKBENCH zys1986062186_20240707_232631 DATATRACK_ID:4988 STUDY_ID:ST003348 ANALYSIS_ID:AN005483 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 HSS C18 (100 x 2.1mm,1.8um) CH:COLUMN_TEMPERATURE 50 CH:FLOW_GRADIENT 2% B to 98% B in 10 min CH:FLOW_RATE 0.4 mL/min CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% acetonitrile; 0.1% formic acid 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 POSITIVE #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 1-Methyladenosine 7969432.4810 6446782.8970 4355010.8480 6510709.5560 7268236.0980 8013100.1050 6852444.6860 6935938.5370 8471515.9710 6211698.0040 7249856.4910 6481655.4220 7917537.1380 6725660.5210 7998098.9890 6959872.2630 4567751.9820 6935442.0160 8354313.9820 5196494.4470 6614151.2750 6650716.6190 7239023.2960 6629301.6290 9066925.6230 3560292.4950 5456566.6160 4490850.8020 6518978.5560 4085228.1360 7799348.1730 6754093.7860 6375153.2630 7612183.9600 8887416.9250 7304514.0730 7407667.1800 7521873.3480 8750064.6860 7263939.2180 7359888.0750 6631559.5570 6978875.0190 5706139.6270 6401361.6300 6785288.4870 8847692.6320 6472582.6470 4822679.4060 7686021.3600 7505463.5180 5642067.6450 8860156.7620 7707483.4440 7035426.2860 6495013.8650 8005864.1150 7052936.0560 5392199.1800 6590895.4490 4866247.4280 7858775.2120 8167098.6770 6064248.5450 7213505.5140 6998615.9990 5119249.8240 4274768.0850 7948231.8570 5454330.6560 7055636.7640 9226833.4220 8649279.4820 4966176.6050 8022436.1620 6855215.8800 1-Methylguanosine 808072.2346 697885.9347 661032.4053 146188.0070 287825.2765 463474.0875 936658.0834 257360.2608 318278.1515 677731.2133 290464.0649 426213.1227 576452.3955 241749.5462 665847.3466 636229.4838 698979.0433 814617.9712 173166.3060 133787.7812 590886.8980 698840.4247 290106.5635 511478.5687 341327.6328 453642.4901 57322.1157 870101.8525 1157653.0740 101623.5042 518952.5890 601920.8639 498190.3001 500114.5479 920296.9371 420650.0262 170601.8820 728360.6233 331244.1453 691714.7098 709038.3148 716755.2674 604722.8349 1089129.8450 413448.9290 475188.2597 1306460.1140 1050058.5770 402369.7449 792218.6742 683587.6354 158375.5451 368843.8661 855104.5939 1186719.5330 157593.0575 727760.7570 161638.1270 741941.4550 874407.0134 231097.3568 604997.6543 464557.0595 375940.2009 960493.6385 1494075.0140 399560.0005 261050.3341 1011985.7950 498745.2721 922347.0078 1589584.9430 382579.3799 490323.5135 650414.2652 306239.7883 1-Methylhistidine 14511353.7700 8075207.1400 9782600.0290 11992335.2000 7056051.8090 13505796.1500 4256218.7300 48600785.8100 5358949.0320 19466295.1900 22053877.4800 12132039.7700 11796260.6100 3739283.6180 12579252.1500 11840960.2200 22125966.5400 58299556.9700 11138769.8800 23449922.9900 31946315.3800 3534585.0450 19234283.0700 13767336.7700 23057704.9300 14526059.0800 10800272.2600 8923156.6820 6440481.3450 18545498.1800 24505573.4900 8198144.9730 11527600.4800 14337185.4600 7413576.7440 10165367.1600 7607825.9370 7128741.2090 26558509.0400 36058714.5900 3852119.5780 15096709.6700 16026047.2600 28573166.4700 10380349.7500 11445196.4100 10172030.1200 6839732.4330 23572938.8400 32087804.8200 6879947.9800 13850179.5900 19841784.0800 9414953.4250 8806712.8510 9250780.5830 8462437.9750 23311765.8100 40980501.6700 4341731.1040 30891604.3300 13399591.0200 30824846.9900 16811077.0500 12381999.6100 8743496.0170 9094451.7440 20315915.9500 21816959.5900 8005131.0610 9801395.7250 13904203.4500 11010771.9700 10792897.1700 10210247.2000 7053581.5310 1-Methylinosine 6593221.1520 3895302.7080 4636250.7690 5242503.9430 3935874.2680 5061330.4740 5120308.9710 5854550.0980 5315740.6010 4308769.4400 5736547.6390 5159509.4060 5781915.2810 4830906.3120 5601830.5410 4264312.2600 5744044.1540 5295165.8300 5773821.7580 5816493.7270 5334462.4250 5074482.6320 6202253.1500 4770635.2000 5786483.0690 3886542.1060 4427702.9180 6543494.6790 5098664.7740 4971951.0690 6564022.2760 5366765.5620 5261489.0380 6249164.2850 6098592.9040 6126206.2200 4810114.4060 6079969.5520 5730394.0090 5256567.3110 5332129.8840 5451569.2350 4086514.2200 6012512.2520 3343290.2340 5733097.3790 7533367.7510 4139302.4330 6406748.9490 6127205.8740 5603194.3320 5067679.7820 5913978.5770 6341634.2310 5085031.1350 4077411.7230 5724500.4340 10332072.9500 6571601.0840 6733234.8140 7807419.7870 5708453.7130 6846224.1730 3134238.5320 8503207.3110 6014096.2970 6992841.5970 6678054.5190 6480010.1160 8046564.1440 7780114.8240 9086083.2970 8058091.9370 5800125.7950 5007616.4860 7958931.1600 1-Methylnicotinamide 502995.9960 2378292.4520 6031420.8070 2786947.5430 1963162.3010 939753.9718 1524671.1820 2899745.6700 2678968.2520 1379139.1320 1166340.1650 1658999.2380 1232027.7750 3349832.3630 2039740.2410 779391.8138 2602061.6640 8665460.2050 3294452.7070 703546.0891 1740046.3890 1934204.3320 636641.7829 1646054.1100 1293534.8650 922298.6752 958633.7404 2157308.2560 540396.9176 1674086.0710 763521.8199 501256.8596 631153.6639 1060459.6250 388981.1728 1211478.7950 1231205.6560 1662129.8830 2270079.4120 838134.8655 2892369.5740 2566671.5880 2967513.0510 1806477.2020 2978018.7930 2020586.7650 5358808.5700 1325997.0790 1334126.0580 2817841.4370 1388305.3100 1227543.5800 2682532.4330 1553050.7710 1186346.7260 2319935.9870 3593593.1520 1246297.4840 1059648.4940 2155164.5530 1904292.3850 1140899.4270 631265.5440 2281535.8620 2063228.0710 3962799.5150 3047198.6610 868844.9569 1630674.5900 1756090.1960 1385977.8040 1791857.8680 925119.6537 1253337.9390 1079309.4260 1496896.7020 1-Pyrroline-5-carboxylic acid 18389334.0700 21515647.9400 13391008.5300 12189579.3400 13015739.0300 12080088.5600 16120033.3300 14074714.9800 12616718.0000 12875396.8500 13393665.0000 11923358.6200 13219379.2800 12257725.5900 14324724.1100 13364928.3200 13679902.2600 14864175.8900 15405081.4800 11982418.9300 18950347.2500 12323664.7700 13929753.1200 15724803.9100 14931669.6000 13869363.4900 12542794.8700 14495503.8600 13808590.3700 18478252.0600 14011891.3900 12959432.4400 13941930.3900 14344972.4900 12778158.8600 14777173.8600 13271637.8500 12854140.3600 12174723.8700 13460070.2700 15014732.7000 17627970.2300 14215816.4600 13334073.6700 15233135.9000 13918609.8200 16099550.7100 27378508.2000 12648548.2400 11734005.9100 14779640.6800 14758085.2600 14326434.8000 12875332.8700 14081058.6900 17224563.4500 14451934.5600 13263038.1300 13860754.7700 19286762.0500 11391755.8900 14049728.7800 13585482.7300 13549180.7300 11479903.3800 13142815.7800 13196965.4900 13537934.9100 20227196.6800 15490134.6800 13779878.6300 14270886.6800 13616454.1200 13582585.9200 13142627.4700 16746113.1900 25-Hydroxyvitamin D3 3083565.4930 2548669.0430 1489018.8860 51458.7648 2136300.5090 1882972.1470 21391.3979 1617957.2270 1199283.6890 1477320.1650 2511373.2220 2200029.7030 2396667.8040 2341385.4550 2276419.5880 35123.5339 2697859.4210 1753056.6320 2783339.8590 2967340.5540 2090121.9310 9282.1414 1577871.7970 1672965.8510 1128382.1700 1706522.2570 1164111.5000 1230156.9210 84698.9069 2180026.0140 2343272.9010 2032456.4880 2730665.7140 2408927.3040 3485479.0740 2634736.3990 1814859.8600 2742388.7630 2926179.6240 2115505.1460 75003.1897 1362151.4660 1570025.0070 17100.5488 106955.9757 1607040.0250 1594115.7980 41351.4991 2193645.9630 1579676.1230 2248779.9510 2185564.6860 2118111.5970 2706489.7750 1794134.4410 1652849.6460 2871200.3710 3386354.6830 2764123.7940 1462953.4740 1473918.3010 1799092.2820 1653638.2780 1592118.8760 1797319.3800 1526056.2220 2057643.0520 2223837.6810 2233006.2920 2429143.6060 3048425.7400 2665681.6010 3128559.0950 2946074.8500 2050812.9690 3042328.5380 2-Amino-5-methylhexanoic acid 1468290.6920 1050481.4030 2248087.8570 1288241.9840 1522102.6360 1270796.6760 3383322.0510 2002899.5190 1544194.5600 1651723.5920 1030846.0820 1434409.4640 946218.6415 1327086.1180 1475126.0590 1454564.5980 834581.9174 1326695.6110 1618783.4140 1719756.8100 1358834.4760 1810510.7710 1476338.9420 1429015.5160 1195835.0390 2682499.3600 1885250.9550 1859885.7580 2212974.7990 1310147.9760 1404119.9170 1455720.7440 1049399.6410 1791725.4250 936037.7630 1038793.6530 1208256.1460 1394022.0830 1523518.3490 1105334.1850 2351232.2770 1217618.4410 1536445.6330 1060156.8890 2217511.6080 1883809.5370 1820019.3830 2078907.1220 1447676.8350 1666617.1320 1163259.7710 1135619.7590 1769695.1690 1398559.8800 1175933.9820 1135263.8540 1817633.8270 1530089.7520 1135423.6320 1623297.4840 1062180.0020 1331659.5060 890104.1858 2539540.9620 1676127.7220 1414340.2560 2270535.6160 1004626.7110 1544283.4660 1102627.3000 916700.2233 1169476.2760 1054840.0540 1158209.8810 1383932.1580 1653734.3370 2-Aminoheptanoic acid 5692643.6910 2614588.2560 5992616.3410 3651696.5900 3693495.3760 3041789.6800 3971483.7740 4311419.3690 2492540.4660 4978770.2800 4742066.9970 3225652.9980 1688750.6170 2678376.1250 3282595.8420 3754017.2300 2226852.4360 3636485.5380 5026734.6020 2600673.2300 2409661.8670 3292261.2220 2926333.7190 3577368.3080 2225164.1420 3713468.6070 2655879.4750 3163968.4670 3540482.4190 4974515.6550 2856899.0370 2077587.9780 2457831.6790 2451425.4900 1680591.0900 1659891.3170 2200718.1770 1796819.0160 3265507.3300 2743264.2630 4766830.2490 3588353.1800 4048248.6550 2094911.9820 3750715.4490 3437377.4090 3008337.4570 3792034.5130 6915782.0490 3534365.5340 1533829.8100 3147730.5150 2514705.8640 2602009.6890 1599121.4340 2110758.6430 2602346.0690 3097172.6740 2352363.5140 3560975.7990 2893971.5760 3323821.7510 2050501.1510 3453333.9250 2571726.8090 2364681.1080 3898119.1380 4996136.7220 2800183.8050 1472171.2950 2644841.2130 1989116.8380 2103552.3630 1639772.3960 2420305.1980 2207798.1840 2-Aminonicotinic acid 3274979.3930 3051870.1760 3566345.8900 5620116.4980 1318077.2750 1945913.6980 4105387.8370 3992086.4690 4309266.8530 2616718.5560 3974863.5030 4108985.1070 4861930.6320 2828678.8580 3558970.5180 4367195.8360 5621209.9870 6394024.5670 4221943.0650 7119050.5900 6800627.4350 4245616.0370 6140095.0720 8890297.9630 3568728.1960 7463593.0610 3607565.9160 4458170.6780 4707639.8280 7037793.5180 7320556.8160 6100528.2220 5595749.3310 4834335.8840 6697999.6080 6836858.1430 5960541.4670 4791556.2830 7479199.6590 2857626.3880 4690887.5100 2909387.7490 4819534.7830 3983886.7300 5296197.9510 2542850.9430 2229545.8640 3026924.4960 1291318.0790 5059134.4420 2292822.7700 3544732.5900 3558669.9940 2638876.6930 3646716.6460 1759430.7040 2612317.8040 6123943.8420 3930114.0730 4415622.5560 7389876.0090 3211847.4320 4704919.0460 5299546.5870 4708614.1920 5021367.3520 5944803.1520 5142915.3300 5544608.6640 5899099.3760 6034636.8060 7828624.0610 4131285.8220 6861270.5420 3341055.7080 7332464.6760 2-Aminooctanoic acid 17930196.2900 11470053.4500 30361580.6800 10716409.8700 11028929.4000 11688268.4300 11955654.6200 19037703.6900 9173704.6760 21720808.1100 8920081.7280 25489229.5100 16091713.6000 6054375.8290 20361767.5000 10387201.5600 13585050.3100 14801599.8200 33514637.0300 10315962.8600 13957334.2700 18366514.4200 9500137.4570 10727383.6100 10559596.0100 9509188.5410 19288594.3500 13855447.2000 17304417.1200 15749049.7200 20335657.0700 9502174.2010 10374397.3200 13189948.0400 7317596.7310 6175062.6030 9310321.1870 15153315.7600 9609128.8330 13668462.9800 22444462.8300 10396866.3600 7831758.2390 10352739.5900 10135016.6500 23432167.6100 14627449.7800 16697756.1500 18510938.4900 19753633.4500 10670363.7800 11802296.1300 11978293.1300 7749486.1470 4639655.4840 8126771.4490 15632941.3800 10430718.0700 14089626.7800 20225094.1400 10598284.4200 9956549.5920 10003714.0200 9432607.5890 22733982.7600 11015693.7000 18335003.2800 17618933.9000 18997568.5700 11495796.6900 12380227.3000 12404403.7700 7908050.0010 5085512.6770 8528793.6660 15464532.3400 2-Chlorophenylalanine 627531729.7000 603954043.9000 627466972.9000 614753179.1000 574426235.1000 610488651.0000 674348874.2000 684467261.5000 605541625.6000 624621484.0000 657200021.3000 593687883.2000 652943464.9000 596801001.2000 662235928.8000 616820839.0000 602089176.4000 671046124.1000 636436559.0000 563643995.4000 646011134.6000 632539479.3000 635929225.1000 583560753.9000 626362182.1000 580129376.6000 601324668.0000 635119046.1000 609762229.3000 607584359.3000 663516182.9000 606382264.9000 589253499.8000 661304221.2000 631874397.0000 667663763.5000 651143738.5000 637439425.0000 611670708.8000 641149177.4000 645826597.8000 631738947.5000 615572449.7000 648640498.4000 594031156.0000 663967587.3000 640964597.2000 620740395.5000 665753696.4000 671412430.7000 644090795.8000 622519793.9000 664336380.9000 661480229.1000 587205613.6000 653664317.1000 653497018.8000 649135629.1000 642678367.5000 646019071.4000 630129344.1000 640443081.7000 614131788.7000 583867324.7000 674989410.1000 581613169.4000 650720417.8000 615886686.3000 593069742.9000 665498496.0000 644907782.6000 653024370.7000 660740474.8000 601399883.0000 612262338.1000 594217552.7000 2-Methylguanosine 349568.3669 280385.8205 100572.4141 62241.9413 64694.4620 226532.6331 486416.4097 178205.9283 106802.0275 112470.2381 128339.3061 297664.8668 326153.7224 167634.2219 247916.8023 75087.5338 139788.5118 119012.8874 159584.7603 180135.6659 8454.6863 107293.8615 195173.0514 38637.4871 242817.4879 194834.9757 5140.0544 71109.5180 254096.9432 119429.1955 49646.8342 173067.7441 252681.3091 320772.2783 34738.9348 403905.4525 416943.8999 147062.7898 62978.0572 80459.2201 413501.0243 91748.7187 89167.2341 161807.5732 47941.5541 239803.8719 247190.7503 293517.5940 242715.9930 346440.9674 398712.1209 231636.5528 125920.5256 155288.5022 99379.5271 138895.0908 154199.7680 227137.5025 733808.6513 646565.5653 601134.8982 270176.4936 277019.0338 217296.2135 262088.7545 353590.0112 202082.6479 221452.6576 278213.9404 293283.9204 732410.7129 481671.2432 652313.7833 251842.1739 154811.6570 249055.6107 2-Oxoarginine 213836.5202 105584.6740 45865.0902 37117.5644 84657.0355 33084.4075 48455.1813 363650.4798 48817.0088 53954.7478 233200.5074 120023.8214 15094.9653 15094.3630 92294.6750 106743.1278 152555.4063 89105.0738 159957.4864 80255.6845 211416.5798 89232.4017 408192.4059 141917.9803 238636.4092 170384.6985 76750.7835 209272.1407 111092.7291 188274.4711 734057.9033 57930.6065 192793.5908 206284.3382 68265.3949 665304.3027 48778.8357 247510.2033 69859.7500 60355.1713 168336.9713 39416.3891 136722.0036 41141.1716 44723.3704 49071.6911 93343.0188 31745.3272 381143.4093 240050.8260 30189.7020 155971.0169 95873.8296 84107.9630 36827.6068 40673.2856 65628.7263 279307.5234 46256.6279 70074.6425 177672.1812 166867.2253 319278.3261 153098.6792 158382.8469 15094.3630 256798.4573 221597.6211 398027.2801 112664.1854 188835.6669 50295.0903 360961.7085 365451.1289 81433.0265 55881.1814 2-Piperidinone 216674741.1000 129526776.8000 109815509.4000 18132479.0800 97581681.9400 279862372.4000 52102764.7600 379559850.6000 446247426.9000 119764209.9000 70021748.0100 33110218.1500 230623714.6000 167906573.8000 626068312.1000 74029266.4500 393173608.1000 188492253.2000 188470184.0000 99100284.5700 241786334.5000 83413142.8800 15694096.5300 32763337.8900 64815822.8600 452150441.8000 22109548.2100 695940636.2000 120934076.7000 54464989.3400 127085743.8000 284311012.2000 315119816.5000 125032324.4000 146835643.6000 905012699.7000 115838444.5000 228856356.0000 166046940.5000 54536942.4100 210333482.6000 15881813.3200 106084460.7000 105758437.8000 287624537.5000 28732971.0400 784890788.6000 265425030.3000 117217304.9000 141147529.5000 342257114.9000 626925384.6000 136985282.1000 110219188.4000 488184909.2000 129923936.0000 441967327.5000 134283398.1000 108160052.2000 154114800.5000 25699535.3100 60745544.7600 97515054.5800 471298006.4000 43387766.3500 615222275.0000 224523032.4000 91318288.8100 235976837.5000 320040077.3000 567949401.4000 182026141.4000 175935489.9000 558757368.3000 147637650.1000 336883509.2000 3-Amino-2-piperidone 150319.8635 448091.8845 835997.1225 622763.1613 588749.1413 459237.0720 50914.0927 757929.7811 591836.0267 857355.8805 1081072.9090 526615.5662 763776.1614 506482.5048 711077.1014 762743.4665 565930.2203 588483.8361 812136.1886 775901.9450 827702.5869 656967.2187 857798.9256 588959.0726 593227.2498 1063507.8330 879036.8369 776785.4761 1154536.6420 1542142.3440 988816.8055 635365.2737 995953.4031 830527.1223 1043173.5550 682037.0735 360545.5712 748706.9848 623584.8395 480646.8313 833305.1461 759777.2118 618631.4587 768212.2541 751616.8735 508444.3934 604891.7177 778861.0794 1040013.3490 858274.3637 713554.9468 775478.7748 672393.5234 1048085.7460 631984.4875 534165.6385 1165444.5800 721045.6335 546927.7300 831710.1382 550314.0774 533136.0039 443081.1891 570144.4892 422927.8394 339083.8746 1028592.1770 999524.6486 709558.4647 545634.0870 480811.6736 571963.1153 755344.9381 524312.7573 605220.6652 672059.3271 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid(CMPF) 3354538.2040 1777602.5720 2905279.2960 1481384.0390 619329.5098 717768.5409 1355957.4330 7028887.1630 950138.6395 1857121.4880 1541455.7350 3206225.5820 1530637.4470 2048786.1740 2473283.3130 2288886.8000 2926624.4970 2445878.9400 2110474.5930 3374740.1640 1850461.3560 3333092.8430 1464870.7980 691628.8144 855051.4261 1185443.7240 6783827.1010 823345.2339 2115976.2790 1321962.7680 3496504.3250 1141871.1100 2086907.6620 2415439.4170 2661626.5320 2974272.0930 2875503.4600 2462895.0050 2939136.3980 1976481.8100 3109275.7980 1246752.7540 530925.6974 1012097.1870 1083043.8260 7209286.3820 885350.3203 2233384.0180 1503692.3940 3336037.9500 1461616.1050 2110148.8200 2253333.0490 2727479.1770 2952230.0370 2556825.8260 2584359.6980 3853681.8300 2018413.4240 3248806.7180 1408355.2870 711114.4796 891691.7611 1167989.8060 8029706.7430 804922.8830 2326844.3910 1665686.4620 3573013.3840 1608933.1970 2478345.9430 2616331.9720 2732223.1170 3083593.6970 2474434.6460 2495561.3160 3-Hydroxy-N6_N6_N6-trimethyl-L-lysine 1187904.4870 695719.3439 744386.4070 970099.5468 799990.9383 688756.0257 971361.3200 972081.9787 845651.0842 675719.9691 1203924.7680 1031652.9240 1055615.5570 907307.3399 827563.5753 663418.2488 738900.2429 687626.6571 908047.6521 1359672.9260 1021401.9890 842717.0895 1064573.9320 797813.7711 1543254.2320 935657.3112 974313.8287 962813.8377 1272026.5280 1063826.2110 1283083.4530 971120.7705 1229510.3500 1161896.1310 1066124.2100 842487.0444 699187.0700 890235.4790 855799.4676 969232.1497 828386.0660 676259.2825 484729.3681 1139437.2570 870926.6775 809868.1163 1295324.3640 611119.7684 1071553.1660 1227262.5100 872840.0353 731844.3909 891695.8274 657423.2605 1147307.8050 846128.5871 835200.5253 1523131.6730 1262414.4100 1294911.5290 1005361.4440 877258.0275 1384414.6780 1048418.4090 1070570.0630 2098137.3400 766494.7834 1420412.3590 2095649.7320 796844.5989 1054703.3550 1642029.3960 819370.3890 1024531.1270 1022300.5130 1712571.5380 3-Methoxytyrosine 2555839.0340 1755113.6510 2018538.1160 2744645.8670 2079094.7500 1704880.0510 3178564.7900 1914783.4710 2231196.6880 3291664.6350 2603026.4050 2039872.1620 2299914.4140 2579467.8030 3212006.1590 2293720.2580 2159088.5020 2127578.6830 2734328.1860 2181659.7120 1886739.4150 2118336.8380 3272992.6560 2169893.3100 1638211.4730 2533931.7780 2378431.7080 2828600.1250 4159864.3010 2465512.9710 2663968.0690 1980548.5870 2518675.5280 3515124.3010 2481137.1590 2542008.4930 2503603.0270 2042240.9470 2415758.6160 1763360.0680 2267513.1340 2716173.7860 2105168.4600 1465476.5420 2475321.5510 2390221.6310 2807741.6190 3853266.9930 2832418.4120 2616607.4610 2115968.0990 2553447.3720 3255632.5800 2558850.8640 1952511.5700 2221959.8000 2321297.3610 2392228.6110 1789622.4480 2296294.1650 3072235.6040 2695780.6690 1405465.7350 2401623.9130 2405516.3610 2214872.2570 4157877.3940 2334477.4510 2575920.0030 2162169.9670 2730232.1220 3467568.7310 2463873.9510 2157594.7020 2043673.8700 2067693.5540 4-Acetamidobutanoic acid 3059148.0440 1909096.4340 2223285.7900 1691111.3250 1836615.4220 2411721.3490 2672011.6610 2019990.5730 2796626.9350 2082091.9030 2778283.4260 2307663.3190 2650700.2990 2372933.3930 2391861.6350 1855902.8630 2070307.0550 2174872.2840 2247157.5290 3017115.9660 2313031.1000 2428441.6330 2215579.8890 2160554.3480 2198714.7360 2024791.1710 2208302.6130 3053608.8650 2100099.4200 2476703.8920 2534479.9240 2755092.5030 2670094.6220 2762327.5810 2690479.9300 2639091.1430 2483535.6370 2138618.5960 2761816.3760 2048652.9530 2609242.0790 2232359.9100 1855184.8470 2185159.4990 2918617.4200 2178674.2720 2172083.2770 1532029.2700 2646856.9560 3138099.1800 2346539.6050 2715896.9070 2066281.3990 2490133.7880 2662386.7250 1942350.6550 2383256.5520 4609336.8520 2145078.4560 3440824.2680 2730201.4730 1953456.5500 2604453.9320 2101324.5600 2550482.2810 2337311.4410 2354877.1040 3185047.9380 2954512.2430 2623243.1930 2905311.0270 2728550.9140 2633119.9890 3263218.5870 1466289.8180 3387465.7010 4-Aminoantipyrine 6162.8834 7369.0320 1.0344 5672.6231 9426.4456 6013.6209 5256.7857 1.0348 9825.4915 4529.3003 6213.6134 6617.0278 7628.7014 4313.1770 7103.1926 18441.1989 4828.5579 1.0426 544032.0043 39084.5691 67421.3414 5028.1962 201554.2953 42401.8700 89555.0494 21899.8901 92024.9342 53365.4951 191011.7132 16014.4915 93198.0423 31394.5230 12880.2778 4903.0320 110910.1509 67363.3745 62759.8743 3123046.7000 5815.9742 1.0309 1.0344 4446.8467 1.0344 1.0410 1.0347 1.0359 1.0344 8951.5414 1.0545 4122.0658 1.0399 4296.8408 5056.0405 114709.2591 10989.4171 4132.5635 3437945.6340 6123.6210 1.0351 4223.4366 4230.3430 1.0344 4617.9065 7021.7182 3958.6313 1.0356 5454.3671 5469.8831 1.0344 5698.3721 5186.4624 5471.9730 150625.6826 8682.7161 5467.8143 2733290.6370 4-Formylaminoantipyrine 29548.7854 178482.7638 7893.4420 297958.7319 188562.7880 195919.5598 108684.7062 254960.2715 79381.3127 216973.3936 167798.2374 274560.7064 26830.5206 6325.3274 12433.1936 2833745.6790 124203.2550 124885.5644 9160553.4130 92138.7031 618085.5368 0.9975 973908.8945 270329.1911 489943.0423 400106.6347 527379.2845 161848.9782 761070.2560 313364.5601 706573.2861 78161.3355 90551.6354 42837.8584 14501759.2300 471458.8415 319270.9256 33681235.2300 6403.1346 6018.0887 4485.8851 0.9975 7462.5097 19996.4537 0.9975 0.9975 4654.4674 0.9975 0.9975 9384.7469 37585.8715 5635.0378 11206.2337 20338133.1300 36237.2131 4402.0927 41250354.8200 76803.6994 0.9975 9315.9175 4516.8085 6329.3175 6679.4500 11406.7369 10989.7701 0.9975 10221.6732 6792.1707 14592.8425 31326.3810 9596.2229 8921.8938 20135041.3400 0.9975 6626.5810 40075227.4900 4-Pyridoxic acid 1495021.2800 1027042.6400 1467088.6310 1132196.0920 837114.7641 1379332.4560 1636859.0740 1212936.3560 876857.9873 859835.2076 1233020.7710 1023486.5840 1781804.6920 884829.6083 1576672.8860 1126156.7640 1164066.3910 1101631.2210 1268765.6750 935019.9910 1605365.3040 1505780.7230 1207370.8120 1016172.6590 1783254.4470 994156.1186 1254990.8980 1106203.9880 857508.0497 847465.7091 1063899.1700 1240713.4610 897839.4170 2673792.7470 1132525.3250 1122136.3060 1101024.8580 1241042.8390 1755229.5030 2123767.9300 1538007.1420 1074075.0530 651064.2013 1193560.1200 545623.2974 1322039.7200 1019687.0070 981028.2090 959850.8311 1155077.0970 1447467.4210 1083552.8510 2007754.5570 1423503.2770 1150973.5540 774537.0098 776709.6697 3691254.5960 1890538.9070 2639970.9370 1521836.1970 1178942.3720 1628850.4920 733686.9284 1749730.3710 1085172.8410 1335357.1200 1363188.9080 1434317.5170 1718085.7160 1463666.4000 3315830.0280 1545251.9940 1092498.4820 482129.0844 1565722.0450 4-Trimethylammoniobutanoic acid 118148692.3000 132338171.8000 138083454.9000 98070714.2900 71250068.4000 119501053.0000 68702451.2500 149090716.1000 107617369.3000 153298585.0000 97467428.3400 170250159.1000 149928007.0000 107903747.7000 96029561.6700 106553839.0000 119374169.1000 170781600.7000 83894582.0800 145804442.3000 150462031.9000 112055226.8000 90344258.0300 107420211.0000 122212036.9000 105263284.6000 142319192.9000 131981310.5000 117628258.3000 125166968.0000 189577246.1000 155887927.1000 132225234.2000 121390365.0000 77509422.5400 135927021.3000 126395919.6000 125792954.4000 156037287.7000 114845497.4000 102252348.6000 118357503.9000 110353905.7000 117526939.6000 72764049.5000 120726984.4000 80168328.8400 114552044.1000 132625542.5000 165780596.5000 111055870.7000 129859704.3000 118907200.4000 89062048.8300 99773002.9600 113978637.5000 125397587.0000 148901021.8000 157460493.7000 112120132.4000 122934486.7000 99369750.8700 108427646.7000 102211403.0000 157212478.5000 89165540.4600 154793844.7000 134136784.5000 129824661.8000 181956151.5000 121496326.8000 99932685.0800 117272978.8000 131915849.8000 129089233.7000 96859230.5400 5-Hydroxyindoleacetic acid 366642.1076 196031.2650 201539.4091 181965.9763 198827.1622 153103.0187 249446.8491 345735.0730 141408.9445 192123.3963 192834.0116 323692.3779 319427.8684 265176.3510 291672.2594 216627.6788 443864.2734 397059.4112 176326.4628 427028.7206 194691.7095 235038.0819 480117.8389 596458.5300 314378.5962 315570.1199 311078.2279 197531.5272 289080.9779 312454.8051 244474.5720 382145.8107 178111.9657 346017.5568 194406.1761 387567.7324 253860.7327 183688.2003 230943.7510 271541.4673 337629.6958 248544.8471 255077.3949 299936.6175 182412.0729 293515.7305 274188.6359 178804.6516 252563.1007 320760.0447 213216.7733 299133.1157 395297.8616 231345.9765 370119.5734 210724.8731 175009.9995 771782.5835 545898.7451 516903.7118 402961.6403 400239.6077 335738.3153 271842.5801 542439.1096 188726.8923 430227.8824 345958.6643 393715.4640 461595.6398 384126.7143 562604.3103 313016.7795 299965.5362 344241.7974 288171.1201 5^-Methylthioadenosine 1497315.2750 1671871.9330 2934487.6370 3062005.6080 2118390.9910 2319908.2660 2749214.6460 4192487.7300 1672838.0050 2037634.1630 2392746.2170 2348987.4580 3986242.6070 1790612.2600 3258962.2030 2463321.5680 3323231.6550 2847191.7220 4070233.7890 3218958.7310 2363463.3340 2680427.4010 3233476.7370 2622252.8250 2298119.4140 2279378.5270 2824483.2490 3024964.4110 2376812.4050 1902271.1930 3887644.2740 3224529.5750 2410186.1360 3690682.5500 3239388.9930 3507429.1270 2439860.6610 3077645.2580 2230529.6470 1728659.3450 3106933.2090 3524840.9830 2837650.8470 3130610.4490 2109214.4520 3507376.1530 1998772.8900 1599387.5900 2981509.8280 2873815.9920 3413641.4980 2234556.3460 3244778.0670 3119375.1630 1491831.9710 2170267.3480 3436248.5330 4112089.3840 3484277.6350 5531917.4920 3665247.3050 3373447.9300 3296015.9170 2313109.6720 5103942.7430 2357406.3330 3845399.6590 2607043.2920 4370590.5180 5673357.5990 4598835.5850 5695562.9780 4651520.9100 2959152.0880 3176983.7970 3575790.7500 7_8-Dihydrobiopterin 104284.5302 70442.5125 76701.9255 17567.5439 22881.8126 6970.9809 6970.9809 45309.4790 6970.9809 44817.3970 20282.6659 6970.9809 38529.8031 68854.6268 24834.9662 20688.0374 20372.6280 57601.7739 19546.7106 278960.6305 69733.6543 43095.1101 159783.5749 29958.4719 111162.8393 58412.5169 58355.0712 32276.8934 60404.6902 78840.4228 133913.5023 131562.5643 122474.2218 59991.7316 88066.4182 25373.6551 19880.5460 54478.0287 122457.9636 48332.4232 58494.8919 19276.8243 13941.9618 6970.9809 25983.8801 117039.6423 40208.7349 6970.9809 76480.8138 44647.2277 19610.6596 55603.3506 27836.7946 46279.5526 31958.2324 95036.8572 103832.5517 300488.6757 45151.2324 114716.8852 48618.5678 21663.5181 47837.0896 6970.9809 24566.1637 19870.7911 112920.8943 25879.8276 61412.6996 31377.2722 106091.3599 43613.2052 85481.3620 6970.9809 46433.3396 22181.6254 7-Methylguanine 10385422.8700 8282715.7730 8478849.6520 8667977.4480 8745910.5560 8519563.6850 9174913.1290 13735873.5000 12157479.7100 9167806.6690 9134852.5730 9952224.9580 9593573.4800 11652947.2100 9936196.1610 7482169.9860 9831626.7900 9511740.2320 10442535.1300 10049580.4300 10001050.1300 8385995.4160 9087248.4560 9615956.9450 10114298.4900 7348180.2440 9813457.9290 11790325.1100 8586097.9440 7402600.5650 10088224.8000 9498978.3990 8510449.9020 11463896.8100 8521009.6260 10601306.4000 9023968.2250 9696110.0890 10560262.6700 10248517.4100 9134452.0730 9860463.3490 10248782.7300 9838490.7700 9081568.1200 9787789.8880 13847934.2100 8685551.5220 9867921.9750 10555277.4000 10928412.6500 9332059.4050 11359746.0800 7712390.2030 9559165.5110 10995318.3500 9930375.5870 13255079.6100 12707877.2400 9793657.2490 9664340.1690 10710303.1400 8841357.2910 8840438.2160 13211913.6300 10915396.3800 11398866.8900 10095973.1500 10648251.3400 13044213.5400 10382368.0100 14004655.3800 10294011.7600 9486001.8710 10187263.9800 11414346.7000 AcCa(12:0)-D9 108550927.6000 131539805.0000 143095783.8000 127750890.7000 122500648.5000 126084116.8000 125630058.8000 132444894.7000 132605553.9000 133869537.8000 133222264.0000 134500581.1000 130653857.2000 134317436.3000 137690305.1000 132645738.8000 136174061.9000 142536932.7000 132256266.8000 120001910.6000 139418996.6000 121424853.0000 137256492.8000 138221107.8000 133355553.2000 130312734.8000 134197175.8000 121602696.2000 141088333.1000 136051287.2000 131130482.5000 137704089.9000 131170062.6000 130111366.5000 129751057.9000 138999879.4000 132487093.9000 131107724.7000 126452496.3000 120979207.6000 120446416.8000 138005233.0000 140680276.8000 137820969.2000 122868073.3000 137630590.2000 132384124.3000 130018041.5000 135013444.7000 128211805.8000 127639778.8000 140305756.0000 136482787.0000 126823318.3000 134230086.3000 137034140.9000 122643346.3000 138485529.8000 143614719.2000 126170444.6000 135169879.9000 113394878.7000 132370302.3000 127909931.8000 135957780.8000 137686878.5000 141406537.3000 137494908.8000 130312639.0000 125386319.0000 133437650.9000 134104745.0000 126600288.0000 142964945.3000 149598208.1000 139795627.4000 AcCa(18:0)-D3 430165976.4000 381595646.6000 413824046.6000 354257263.6000 387477477.7000 366894779.6000 409071616.2000 470109398.0000 496793903.4000 504415405.5000 340312441.9000 485097304.8000 352594794.3000 398885598.5000 312630570.7000 409312378.5000 455990875.3000 334868160.8000 466739793.9000 443783438.6000 481135783.6000 407342389.0000 984981237.2000 489967401.8000 527366874.5000 527493016.8000 484031087.5000 421763524.6000 380172513.9000 389654395.4000 435372927.3000 490168949.2000 458124662.9000 517184207.6000 509508292.7000 301957235.5000 406359664.2000 411454438.1000 480160900.5000 408575240.8000 374033693.2000 539546651.5000 554587370.4000 407455341.7000 437890495.2000 777970317.9000 401105128.0000 424294276.7000 404205512.6000 398760445.3000 304267689.2000 474926279.8000 405912006.3000 407873368.5000 448559987.7000 507339640.9000 388212067.9000 568620604.8000 446240700.9000 331220074.2000 423305361.5000 308448641.0000 380057557.9000 429892468.7000 366416692.7000 445759631.7000 509910600.5000 593817514.5000 436583503.7000 521823219.1000 369680913.4000 404341193.7000 378988254.9000 429999071.9000 497538418.6000 417722661.4000 Adenosine 148673.2377 31955.8927 2783.8403 16867.5158 15776.3482 18495.3387 64046.1842 2783.8403 14293.2624 28270.7348 20769.7795 2783.8403 12089.3106 25703.0603 84206.0000 2783.8403 17281.0505 2783.8403 20692.7117 14670.1429 17998.1573 56671.1690 20674.8545 8921.0710 21532.9390 5756.5908 19476.5438 5671.0643 13533.8624 38117.5595 11119.3837 8154.1521 38304.5900 102970.1363 55008.5716 2783.8403 51790.5199 74476.6567 21858.1276 116295.3517 65201.2617 11194.5719 2783.8403 24931.4422 7936.1065 28101.5615 74690.9429 7491.5567 8886.2964 29910.7757 7357.1580 18737.8204 5567.6806 20313.9515 22905.1222 32592.1722 2783.8403 119410.0197 53764.2082 52917.4019 6076.1403 105747.3977 317512.8702 5993.4334 58158.0142 89123.3034 55842.2200 49204.0484 67728.5226 19068.6482 108053.7934 12685.1764 22995.3480 6225.5767 17364.6973 53470.9745 Adipoylcarnitine(AcCa(6:0-DC) 924124.9989 596011.9479 800942.1685 437438.1908 277821.5542 668951.8069 820683.3036 638413.2107 440589.1573 279302.9299 435351.9505 383339.4918 765461.5053 434703.8594 872461.7379 676218.0202 474902.3439 435942.0331 675983.5679 1031699.8330 939247.7990 1316308.5770 515685.9737 251779.1133 540016.9996 446876.5399 637410.1301 826023.7858 313120.5250 414798.4289 831290.8575 795508.1249 562058.3778 1166197.2220 1212341.0490 1177285.6500 408951.5934 844063.9346 949096.7214 951857.7576 1378402.4120 386666.7065 287015.7605 644363.1026 302215.3473 766880.0874 1046924.2080 274072.9849 514709.6342 737231.6079 985730.1261 574227.6307 1168612.8350 1088341.6940 719871.7711 407986.3006 955102.8011 2619104.2810 1667156.3020 2322236.2640 682019.2848 441074.2199 794037.7501 493287.3720 1483009.0740 449279.5390 589464.5729 335032.8707 1011261.4350 1727176.9790 1095694.3430 2394802.6000 1694420.7010 1181170.1350 397869.1273 1246305.3120 ADMA+SDMA 18222478.7000 16293984.0200 19536680.1400 16891329.7500 17864611.5300 18241295.4500 17209878.8400 14724526.7000 21912350.2400 15041730.4400 16755338.1300 18469650.3900 17440503.9200 14072886.6600 20136159.5100 12449677.2100 19695928.9400 17379743.0800 17538500.1900 20504319.2300 16638633.4100 12916543.2400 16373804.0900 15448339.4200 16505690.9400 16071354.8700 14185772.2700 19393107.1700 13576250.4100 15631491.2900 15196875.9900 13446887.2300 16602685.9800 20049795.9800 12823832.9100 17135009.7700 17727613.5300 16272255.4100 17673567.9600 13459430.3000 15575112.5400 20579913.1900 22810089.7200 17843390.0600 12181928.7900 15924644.8600 21373097.6600 14530972.3100 15375405.9900 14757671.9400 16187248.5100 16759505.4400 21280276.9600 12334993.4300 17659165.5100 18832777.2200 16020809.0500 16421504.8800 15071249.4500 13017669.9100 17325016.1700 16321871.7800 15499172.9600 15378356.1200 16194890.7700 17532748.4400 15787137.7100 14254936.7500 14678738.9400 17301784.4000 15279702.3800 18672807.9500 13977608.5100 17221713.4700 16076623.6900 17044412.6900 Alanine+Sarcosine 35544706.2000 39040857.9000 28636231.4600 31932109.0900 36006560.2300 45832547.4500 41093095.4000 48126672.8900 35107421.7300 35722461.0900 43432325.8500 25814477.5600 34634553.2400 24500940.6900 51475097.7800 40518498.4300 33103024.2600 30894309.0200 28912014.3000 43480336.7900 43607446.1300 25045994.5600 41495675.9900 33946400.8600 37496241.6300 50415518.7800 42706248.9400 32973526.1400 29791821.0700 37541568.8500 29801878.7100 35716661.3600 32989384.0000 34877296.6900 40001610.9500 39201794.9800 40683431.3000 28665567.4900 37087520.1200 40700670.9200 36325064.8600 37100787.4200 34284574.2900 36011835.3200 48323282.0900 44125095.2000 32387119.3500 26030790.9600 47058529.8000 40539099.5100 28823440.0700 31318247.2500 47169082.0100 39869077.6100 37818027.9300 38787247.2700 36316445.5400 47449807.8700 52463473.6500 38101396.8000 40383723.5100 35853714.6900 37225352.7700 39036778.2800 43239927.5800 26114471.9800 29046416.3400 30270336.5700 30415220.4500 42050237.6100 28064795.9700 36926467.7800 38054220.1700 28466344.2800 40460069.7900 32424642.1400 alpha-Aminobutyric acid 24672683.3900 73361940.3500 25703223.7400 30663802.0600 17019345.9500 21107457.3900 29384634.7300 18514500.7200 17944750.1200 15253090.2100 16476694.4400 25098744.0900 21609316.9000 15439697.4200 17112468.6800 15581862.7400 19903203.5300 19427394.0200 25187209.4600 24451534.0800 60989852.0400 22098858.9600 28318672.1200 21244781.4200 21866962.9900 25748018.4200 24884355.3400 17593968.5900 21925981.5800 15129882.7700 19374071.1100 17410697.6800 13608207.4200 24707924.0800 22896536.3000 16080991.2000 19552222.3800 30667259.9400 22860364.8900 97553593.4500 23783344.0500 25945409.9200 20834274.1300 29836669.4500 26888990.3700 34962456.3800 19784683.7000 19975970.5500 17140366.1400 20979388.8800 20499829.4900 12721220.5500 19975508.4600 21263804.3900 19412283.2300 21994446.7100 29541358.0900 21744517.5900 71913779.5900 24076104.2400 26741142.9000 21306339.1000 28409076.8000 25389657.8500 29533867.0500 22092610.9900 20455012.9600 13215088.0900 19036122.4400 15420838.6600 13708314.3400 20305429.6300 18865435.3500 15695976.2900 15495821.0600 30343933.5400 Antipyrine 336911.2955 121351.8283 181746.1208 317076.4471 256528.2737 298242.8106 216809.2560 360146.3192 246420.4713 369268.6923 213728.6795 286483.7481 223814.7809 154571.3525 274891.3899 3265536.3390 248459.3927 136967.7765 12523412.4100 306389.6185 254353.2270 809568.1984 504304.0803 251027.0329 268865.3759 132819.8981 212399.9775 219361.1136 112327.1103 173798.5688 233251.8206 192741.6974 196189.2206 160448.4177 7949177.5400 134754.2595 161160.6099 24178098.3000 324059.2843 251991.7476 103487.8386 97041.6114 139918.1461 85989.8091 104630.1080 111711.5869 222355.8719 220737.1636 121464.2797 178521.5276 435666.3112 201196.2671 327185.2359 10676545.1600 209324.3331 148873.8149 31368561.3200 289997.3611 21781.0468 209156.6424 232910.5208 225537.0628 121225.5671 223585.9324 166367.8988 110622.5839 188584.9413 70958.8054 216766.8401 216545.8830 223957.8112 199937.6005 9337956.2600 170300.7385 113301.6891 28242000.1200 Arachidylcarnitine(AcCa(20:0) 1411495.9400 725589.8059 805966.0103 515371.5640 528712.0957 484168.3028 647765.2512 608289.8440 1168059.0290 840149.7170 428102.3272 1159462.0610 511276.9226 506702.7280 232267.4018 702767.0576 737990.0704 493108.9742 763378.8328 1123636.1790 731396.1098 937413.6924 939680.1125 721653.5525 1061260.8440 665675.0100 999001.4524 396003.5465 1027707.3290 688737.6126 736359.1842 1149468.9070 817526.1697 952104.3237 1069025.6170 607815.2371 1078037.3360 815432.1518 1050989.8730 683839.9093 389087.4082 536688.2621 961273.8077 738439.2896 794194.2390 499405.1501 590446.1256 895582.4893 660286.4184 447666.7440 596417.1374 386304.6916 330061.9023 693523.5112 912332.6548 1123784.2710 733250.0293 1701358.8460 851377.1350 828589.8853 554076.9450 860405.2110 766882.5126 553035.9743 759906.2512 767735.0555 1693457.8830 1465348.2940 1045957.2190 1797075.9650 660815.0380 854263.5175 779844.6496 705744.1637 828083.8251 891644.2034 Asp-Ile 2406490.7430 909713.9504 1334320.1010 1249586.8760 1284836.1610 1183166.9760 1072353.7800 3540712.7690 3461077.5740 1497159.7320 2923080.7120 1219091.1010 1288565.3250 1137406.0730 1599719.3670 3623783.8850 1745999.3710 2894599.8100 4533739.7000 11498593.5000 4458353.7700 3263436.4010 14978339.8700 5974453.6490 10315572.6400 6420289.8330 4743869.5380 2855786.4030 7878114.0710 8253724.1960 17164171.4500 5803653.2420 9812134.9940 4624175.1730 7451145.5700 10407976.7200 3320270.0140 1791803.1300 3801135.5410 3513006.0710 1315288.6490 2481317.6580 1581427.0150 6196835.6250 2203099.8110 1782442.7210 2937147.4010 1577540.7780 3485512.7480 8728963.0950 1791996.1530 2030176.3080 2819177.6210 6344484.3720 3154899.3330 1977654.7040 2681308.5610 9494249.8540 2617789.3540 5544107.2740 13011743.7800 6480539.7200 14867413.7300 3704612.6370 5965528.7410 1849475.8870 3554912.4860 3712291.3250 14432640.8200 3639806.9550 5015228.4000 3400037.1530 6705052.6410 7830083.0060 1873801.6610 3386984.1860 Asp-Leu 1374396.7850 320633.5289 743421.3059 729539.9869 491554.3430 522879.5853 570570.3885 1329506.6400 2274719.3950 765205.3312 1378308.1050 685911.4116 824789.8605 754435.0142 729664.9366 2146323.8280 1098601.6340 933432.8149 1702458.2880 4895753.6030 1622983.5610 1222291.1470 5077376.6320 2123445.6640 4998515.8360 1637984.6250 1850548.0230 1395198.2620 2855098.5550 2760496.4490 4249253.1390 2539865.7090 2615844.8120 2242878.5670 2819280.5750 3789540.9930 1500701.2300 1216370.7350 2274446.0500 1691769.1060 701510.4410 1484044.8610 809235.0410 3228526.9700 1087275.1690 906424.3023 1774090.4620 1023188.1270 1527777.4290 2599958.3290 1556952.3290 670221.6122 1794918.8700 2394501.9950 1964265.4870 1243503.8190 1774477.0830 6137285.8020 1359884.4830 2314058.6470 5105060.1430 2377514.6740 6544774.9810 1367721.0830 2763321.9920 1233586.4150 2233828.8080 1765827.1760 3698927.3000 2823631.9610 1941905.1890 2355242.8640 3095155.5290 3409836.4870 1274877.6800 2558826.7620 Asp-Phe 722111.3312 375955.3560 492789.9548 662676.1490 257928.8220 483608.5617 552487.4625 783437.6144 592408.7931 397908.9098 598614.6466 450994.4181 616780.1553 401220.3954 302410.4523 361210.0231 497201.6117 497033.0430 1155875.5870 2427163.3580 955217.8488 1221959.0410 1857899.0320 738421.6632 2130367.4700 1301385.6910 1014044.3430 1022469.0610 1183378.3370 953451.5170 2193376.4630 709390.8902 2241991.4660 690922.7319 2022015.0620 2447380.3770 884989.5956 682865.2395 975599.6608 656696.2424 343599.5482 1105760.8990 285048.0938 1283552.7720 529044.7377 443233.3730 659215.0381 414817.4351 666625.9990 1419664.8050 678481.5108 466772.8491 528219.7761 775970.8357 892078.5456 792885.3594 638200.8425 3386955.5720 726069.1333 2855018.2850 3040495.3790 1181807.3760 1999767.2650 1039768.9990 2111562.8200 496790.6683 1419542.2630 765231.4643 2157125.6700 2014480.5350 2661223.9420 1007776.8380 1992284.5050 2495897.6310 250202.6871 927254.8730 Betaine 3628774819.0000 3117803187.0000 3503990715.0000 3657493636.0000 3327169408.0000 3478590597.0000 3794395710.0000 3861103140.0000 2646862202.0000 3706318420.0000 3800160204.0000 2969718270.0000 3769388952.0000 3884775793.0000 3558421762.0000 4279005816.0000 3176508367.0000 3565484887.0000 3671314674.0000 3775565320.0000 3444547619.0000 3173093305.0000 4157152246.0000 3337509700.0000 3413238089.0000 4095486323.0000 3904208017.0000 2692571195.0000 4008454313.0000 3686147312.0000 3755663658.0000 3709093763.0000 4339645712.0000 3344196812.0000 4352216715.0000 3800615739.0000 3283128969.0000 2933916491.0000 3470460253.0000 3399312285.0000 3750863216.0000 3587120404.0000 3211451130.0000 3987479945.0000 3950511242.0000 3865566914.0000 2997779433.0000 3507764031.0000 3587781211.0000 3514849559.0000 3558692340.0000 3785624057.0000 3379321692.0000 4319261111.0000 3522046526.0000 3454823018.0000 3457010817.0000 3339680748.0000 3084557455.0000 3260123689.0000 3503644788.0000 3285488634.0000 3175721419.0000 3152699484.0000 3249198327.0000 2499584139.0000 3387910376.0000 3074684466.0000 3683236095.0000 3457006125.0000 3771884309.0000 3286633121.0000 4087298754.0000 2956061161.0000 2963114270.0000 3365610114.0000 Bilirubin 355236959.2000 313967115.9000 172927261.6000 104968518.4000 51903576.9900 112985900.5000 79016231.7200 106178435.8000 292412354.0000 114834880.0000 94240482.4600 158691970.4000 203617419.3000 89874735.2800 48659340.3800 54823872.5900 100596841.6000 112699699.3000 174305013.9000 302708260.6000 243604670.2000 151709012.2000 39308717.4300 19999804.6300 54093041.3900 37918339.2200 53399380.9900 151558315.1000 88432609.8100 86437313.1600 67335222.3900 186965711.7000 45890967.5300 50529115.7600 55813444.1800 81351239.4100 135087693.8000 211074143.9000 629098651.6000 460431112.0000 204476783.2000 131216191.9000 71712615.8300 132550002.1000 84220039.3400 155815172.0000 229154032.4000 159138999.9000 104401259.8000 126071122.9000 364249647.4000 80722968.8200 72148954.4700 112590167.2000 107160482.6000 175242731.1000 362942005.0000 642721642.3000 381906138.7000 168111792.3000 118221240.2000 103839733.7000 128928017.2000 103927145.2000 197374041.3000 250264491.8000 172115288.3000 173007635.1000 100735289.7000 307030439.4000 73473972.0400 84444817.2700 144034750.9000 180018558.5000 148196547.9000 270840709.0000 Biliverdin 53581145.5100 71235014.5100 44905521.3300 23089642.3400 17867960.3600 32481986.9800 15900232.9600 22243575.0400 51228998.7400 27810726.6200 20758502.8400 39376788.3800 53944569.5600 33798133.6100 23620704.1700 19314656.6700 40210436.6700 37470382.4300 33957485.5100 67309778.3500 58227151.4900 29126478.0500 13699791.3400 11904625.1500 20329692.7200 21127228.1000 27635252.0000 44079608.5300 27103859.8000 29471754.3900 23506743.9100 58844620.9700 23520288.2600 18123314.8900 18228764.5300 27291901.5800 34673392.1500 58790329.0200 66297004.4800 46450619.4500 31603235.7600 26480893.6500 19941823.5200 23001750.2000 18263845.4800 31569233.9700 43739091.4600 31020349.2600 22213737.4400 26098614.1100 57512765.6700 24393110.4200 24642737.4700 22979261.2200 35229172.4000 32352785.6200 54910558.9900 83117287.0500 56339859.0900 34872734.3300 24499351.3900 13086560.8500 23990084.5800 24496436.1900 35475953.3500 43129029.8400 32885022.1500 31197791.4000 27673434.5700 60228900.5200 22003723.3400 21296170.0400 30365553.8300 44133965.7100 43365776.6500 60963241.7500 Biliverdin isomer1 3210805.7160 3722350.6350 1865212.7790 1201412.7950 800980.2896 1499038.3290 903837.9245 1228110.6090 3049283.4130 1095464.0900 1082074.8250 1858080.7750 2015419.0610 1482364.7870 774258.2227 773631.6571 1481213.2870 1409090.4250 1831042.8780 3348290.0450 2616159.7580 1679582.9520 538759.4066 311736.5336 800388.0981 667947.2422 953248.2649 1768401.1410 1191486.4680 1254745.8320 744701.2366 2615502.9710 757590.1130 608608.9297 829154.5760 1047422.9090 1685385.5300 2467605.4850 5126903.3260 4265421.2380 1988858.3870 1444270.5400 1011883.1140 1447676.0870 1134543.0500 1657118.3750 2294885.7110 1842054.1690 1209642.7130 1394017.6340 3426372.4720 1051982.5030 894746.5570 1212641.6070 1550020.6310 1812410.3120 3188787.7150 5155140.2190 3664749.1000 1820037.2240 1266532.8390 1047920.6990 1531522.9170 1198852.3030 1744570.8290 2719890.7480 1555791.3150 1952476.9900 1571801.0770 2967491.9070 979892.5188 970604.3313 1732828.5580 2164344.6030 1846786.6140 3252623.0250 Biliverdin isomer2 7422137.9830 3829908.9810 2481284.8080 1207660.3850 849205.1064 1649908.7740 977039.9238 951086.1857 2963872.7450 1210326.1760 1371447.9130 2034616.0880 2744581.4030 1417976.1100 913497.3611 766299.6027 3663846.7630 2157695.4310 1785360.7050 4382376.8910 2974102.4470 1872180.1720 581642.8528 338409.6348 859027.9447 690232.9459 721822.4687 1893915.3320 1319572.3730 1378747.8060 961764.3315 3022689.5880 752362.8167 843941.4995 862207.9790 1568870.1170 2834537.7650 2650821.6180 6158967.8730 8875728.9010 2666705.0420 1601627.0320 2120639.5620 2169624.9930 1296510.2280 1930398.0490 5638549.5460 1896966.3130 1431061.7350 1533694.1800 4334775.8760 1085301.9650 1158136.3750 1771435.4800 4307747.5550 3014338.5500 4153169.1220 7336289.8640 3895152.8820 1958863.6910 1508727.3180 1508822.8340 2302307.8210 1332502.3450 2308538.4100 3039261.6250 2446240.3970 2245191.8900 1857565.6100 3933631.4940 1387053.5280 1306454.2390 1764337.1290 2769099.5850 2182576.3450 3228728.8170 Biliverdin isomer3 4183966.8210 4131349.5440 884746.7062 1274637.1420 1556562.9970 1244234.5900 1108081.7070 1299938.1550 904960.6453 1788607.9630 1784776.9800 1427594.6480 4967730.0890 1696041.6790 1739859.4660 873909.0850 169007.1389 3014212.4870 2545836.0990 4353178.8580 2103930.0510 1446803.5380 1198244.6880 59830.0735 960812.8879 470299.3423 1028503.7530 2309110.8570 2982794.2800 395579.3759 926727.2224 1103125.8120 962583.2777 818739.1904 1194507.0740 1583854.7590 728450.4678 1857849.1460 5424475.9100 4666308.6860 1903394.8800 747199.6561 189589.8215 2632095.2710 1344583.9020 2007063.5020 4728094.8750 2698037.9520 3354569.7630 1397665.4810 4110796.2040 1035930.2840 1165281.4370 1907413.1450 2422704.0800 3356237.5860 3956872.7490 2003214.3390 2945585.4360 2684554.0810 1296766.6410 1252811.0150 2600693.8110 1308303.9230 3225168.5960 4861515.4540 2736360.8520 2306630.2090 2009871.9940 2964190.7360 1668268.4620 1600850.1300 1408080.2970 161529.8692 3212122.3410 3850349.2600 Biotin 95759.3372 69309.6081 78560.4053 20266.1515 25907.4481 96651.3048 80004.6483 66480.1022 90932.9381 78467.3632 119509.4715 135104.3606 73837.8017 71133.1997 75011.9326 96196.3113 44454.7024 49904.1388 184916.5292 97626.3190 102662.3474 58309.6881 70017.2306 75833.7106 46422.5961 42987.8219 71770.3828 99087.8623 101476.4733 143282.8750 40125.8383 155002.7935 84526.9540 82622.5564 49010.9788 63830.3285 108533.9337 130676.9162 136668.5795 53169.3855 46010.7190 66861.3425 43982.8239 22226.6318 16872.7127 122436.6380 44337.6269 43034.0259 90683.9417 50261.1132 24379.0228 51709.5904 56984.7998 32144.1742 78166.3490 70091.0596 84550.5571 131220.1813 58000.4421 89011.7928 70977.7983 48881.0676 98826.0296 29182.7857 104487.0956 32090.3947 47236.2141 148047.6225 77858.1638 39486.1239 41196.6217 34235.5451 123696.1607 159414.0404 96042.9032 178129.9445 Butenylcarnitine(AcCa(4:1) 588019.9081 329990.0171 446738.4188 494073.9344 382373.7426 609131.8897 919157.3428 550878.3632 352606.3997 459678.7305 287115.4296 810502.1450 688410.9066 601124.1416 462050.9635 368737.5421 335826.6223 561372.0027 554842.5153 469291.4474 331489.3900 519312.5375 550844.1721 548963.6740 660253.5627 731851.6600 527745.0922 426493.2870 436022.5374 383088.7380 780396.9358 655130.9369 610052.0315 535391.8145 451380.9387 417547.3269 432760.3077 452406.0903 521563.5491 461172.0721 404869.0280 458249.7452 454330.8458 739708.5652 687858.8236 641234.2811 441476.0119 494014.6028 561050.2044 665881.0094 612602.2823 566876.5291 440494.5267 387301.2740 441349.2599 330823.6757 561522.8451 787041.0639 511901.5569 610180.7508 629392.1058 608143.3657 828754.1608 678930.9337 972357.6313 396367.9436 703713.4207 485245.9906 797665.4339 865325.5252 845341.8545 659672.3146 512906.1708 431218.6930 390289.5172 606154.2503 Butyrylcarnitine(AcCa(4:0) 36803746.5800 35784266.2900 38492046.1400 48675274.6100 31988195.1400 35051452.0800 53626279.2200 55015361.9900 18362418.0200 34925728.9000 28540304.9300 36885131.7700 32181346.6400 28180716.0500 66269024.4600 20643860.5600 33592040.0200 44561898.3500 33434160.7500 43366969.8600 48101875.4000 47168475.4400 49632779.9100 29228620.7800 41402833.4000 31672569.8500 54880593.7200 10839710.4100 46301872.8200 24102500.9600 47769716.9700 1540916.1700 24603535.5400 67457894.1500 26508257.8900 33527706.2800 36496791.1700 35158717.7300 31704306.2400 43501190.5300 42395639.2000 53339639.5400 26767524.6500 42672432.8600 36939539.8100 69786625.0600 18952301.6500 38526932.5400 26651142.5300 46530732.2600 29114632.6900 27460624.2000 67503513.8800 24209225.7300 34618726.8000 30095202.4300 30794774.7000 98616838.7500 75982997.4900 66855408.1500 107745481.4000 46918881.9900 62791953.8300 43202607.7900 155010459.2000 27570203.9900 106274567.0000 46745074.5400 87416492.9200 80279071.3600 46792727.1600 106640554.6000 39917922.1500 42942378.6400 54579350.1500 55745645.7600 Caffeine 228061104.1000 59179122.5200 237392440.7000 66917273.6900 3527068.2290 101890065.8000 120623225.3000 745480435.0000 602395124.4000 178708362.4000 8370339.7480 3990154.0380 93902533.2500 3145825.8840 122498563.0000 248784305.9000 3383680.4130 46407122.2900 742113726.3000 399567017.9000 490192029.8000 718988400.9000 124372954.8000 19353334.6700 323957361.1000 65880260.4500 547503759.3000 449331836.8000 127457991.6000 21783082.1500 19819554.2200 2190881.8080 41240717.1000 338579614.1000 242242998.9000 30989164.3500 120563947.9000 622049046.7000 92901123.7100 592580271.5000 84719996.2500 22580209.5500 2017565.9410 2719177.3650 55649110.1400 437486204.8000 225446989.4000 74656699.8300 43187017.4600 38542279.2200 4260769.4250 37085376.4700 275039054.2000 267316347.0000 11856372.3900 155990002.3000 253587629.2000 84603825.0600 438248625.3000 69573365.9100 19537826.2800 6277861.8940 2731480.6180 34822209.9200 509001208.6000 135565250.4000 62779246.8900 38188691.8600 30304910.9000 4602700.5450 30399456.8600 354820148.6000 223063647.2000 7156581.9780 129625235.9000 204410813.5000 Choline 630314257.2000 529385938.9000 660122807.5000 734739305.9000 596880917.4000 657235697.1000 587680848.4000 725761079.3000 742337982.4000 634918586.2000 607221624.4000 716420225.9000 624145406.0000 611543515.2000 623728911.8000 654838073.3000 780547069.5000 574886475.6000 619145499.8000 755252801.0000 592584123.6000 537562444.8000 714947107.2000 638501001.7000 693594428.8000 516645445.8000 648724585.6000 745463148.0000 527383429.2000 633146154.4000 600208085.5000 664646325.6000 680192838.6000 502426029.5000 554874455.0000 672477847.9000 493653025.2000 508016309.9000 757738060.7000 486580973.7000 560174616.0000 823125615.6000 660262601.3000 651714124.6000 577312893.7000 597822597.9000 636865267.0000 600863738.8000 717507284.5000 639989624.4000 556707502.1000 684772907.7000 668571364.2000 603174408.3000 621629446.6000 528604422.3000 601442755.4000 812130079.7000 529456017.1000 546453670.2000 798282323.3000 576213101.4000 543483250.7000 516086493.1000 631762864.6000 482926156.5000 651127412.3000 656658254.5000 647453513.4000 633852831.3000 554084251.3000 511835847.8000 686223803.7000 705203930.5000 553150362.0000 484774264.7000 Citrulline 12240052.4800 9238477.0430 11384194.2200 9129384.8600 8082875.4770 9292120.6340 8731275.8080 9901775.8950 10457912.6400 10780279.0500 11989446.0900 12274474.9600 9493931.0340 9812369.2670 9684863.8220 7171826.8330 9851280.8690 9435347.3670 11240773.9200 12439967.8600 10912822.6500 10174490.9500 11980978.0100 9023229.4160 8736739.7830 9807218.4320 8921290.1690 11359193.4700 12225954.9700 16460512.3800 12293795.3100 11847087.3500 13403800.3900 14143565.1700 9162307.1230 14042224.1700 12769397.6500 6627222.3830 13150903.0200 9026296.3240 10225629.6700 8048218.5280 6468264.0430 8643591.0750 6697349.1360 10024629.7100 12124932.1000 10968886.0800 17777042.7400 13597447.2400 10677284.9100 11415443.4900 12020456.4200 8124860.0880 10217468.4600 12774110.4400 11026072.0700 13992344.3500 9894343.6050 12390641.9600 12180662.8600 11408503.8800 13968511.0300 9266924.5980 13119986.2700 7637187.1370 19013567.8500 15397445.7600 16331272.4400 13243950.4400 17768497.2000 14640987.9500 12635566.1000 13750359.0200 16217295.0100 10703585.6500 Clenbuterol-D9 453743345.3000 432545235.5000 448443935.6000 458794834.8000 426013796.4000 443323759.3000 466026068.7000 480248921.4000 431278546.0000 461155394.8000 467854173.3000 444961246.1000 478915863.9000 439046692.2000 475553680.3000 451508050.2000 451744516.3000 473927816.8000 451964894.0000 428466604.0000 449848974.3000 444868092.6000 450989833.2000 436624221.1000 441426178.0000 439138291.1000 420650238.1000 470361307.4000 448283025.7000 433221426.7000 458358255.2000 437089868.1000 429166584.4000 458954112.6000 443997084.3000 473887618.0000 457403793.6000 458616898.7000 441062214.3000 450598758.1000 462367332.3000 459717835.8000 451792893.9000 470117250.0000 433158862.4000 450253654.5000 463535833.6000 439413757.3000 462426297.1000 461743466.2000 480617657.6000 442103325.7000 476425272.6000 479548839.3000 440846009.8000 451594329.2000 489954174.2000 447443730.6000 456268969.7000 452311460.7000 454077700.3000 462716159.1000 446563462.7000 422942840.7000 473823356.7000 441914823.4000 471319073.5000 443629017.0000 436271518.4000 472867567.2000 482242962.4000 473950277.5000 472671399.5000 434057067.1000 447203106.6000 439089140.9000 Cortisol 36996497.3000 25754894.2500 42254570.5100 31439024.3600 31347677.7400 25428523.0900 43810881.0800 28884496.2100 38549165.7200 27367950.8500 30405667.0700 24181865.4900 31785662.9000 33416430.0300 32785162.0000 35129380.0200 30997371.7600 28839157.9500 22875906.7600 33828944.3300 14755153.5200 7202309.6280 18015667.4900 17985387.9100 10164935.0700 20015084.1400 12163994.4500 11926462.3100 17704881.3800 17601157.5900 4010870.0000 9651463.8680 13626156.5000 21241879.6700 8524290.2920 28965196.5200 8981708.4240 12279430.0600 36835366.0500 31230069.0200 32605846.9200 17527987.8900 21826230.2100 37881847.6100 29629665.3400 24640000.3900 26767151.0100 27344860.9500 25974292.7500 25231530.0100 37072953.4500 24105509.6700 33430293.8400 30703429.4600 28533310.5100 17784832.8800 35704611.8900 73339134.4200 36653932.5200 56966299.8400 19352735.8200 12285572.3400 46223489.2200 8873187.4070 29625878.4500 23046611.3900 19930828.3900 40769657.1000 32834142.8500 51704276.1900 19381094.8400 50046676.3400 39953527.9300 17906735.3600 22260680.0300 27155661.4600 Cotinine 226592.2449 81869.7009 92428.3966 274635.1951 283218.1900 58247.7891 4357945.8720 118331.7022 147457926.4000 70123.6188 1714766.7880 181250260.5000 54500.8381 56417722.0200 308060.9080 54933.3298 109869.6084 114751.8503 1662432.3400 117588.6028 25074.6908 420855.7332 168260.9062 172246.7106 28133.5868 3183015.2570 265647.2307 72221417.9200 28930.7477 901885.8095 157304039.9000 80858.2600 15554607.2100 414581.6543 52968.4413 180535.8077 29894.0247 567257.1314 84819.4910 88977.3092 218994.1516 289993.5661 116686.2678 29622.7345 4941164.8960 185333.5171 108584281.4000 81387.0794 1273595.7390 175386538.6000 48290.6501 2377217.3140 228689.8297 34654.3825 87738.8102 54056.5511 509995.2268 224617.5270 21997.1190 395585.4382 220221.8383 340474.1970 120127.5258 4689207.9950 331409.5636 75669065.0400 31073.5476 1124338.9120 166963577.5000 133870.9334 2411325.1840 437229.4768 222933.7580 338128.9123 127718.7386 645966.6939 Creatine 314241143.6000 232119456.6000 305021879.7000 484748617.4000 466750631.9000 442311633.8000 527474640.7000 382098257.8000 262329181.5000 474399398.3000 245405832.8000 212621280.8000 497215819.8000 124258945.6000 822888085.0000 208905387.8000 716180052.9000 931872501.4000 206828855.2000 489667869.3000 353071440.5000 264754729.9000 792253514.0000 631050299.7000 544423708.4000 447374495.0000 320781488.8000 271823443.0000 568335606.5000 312384556.9000 334315135.3000 648439458.7000 222207759.7000 783966238.8000 281024164.5000 864077513.9000 692935876.9000 254360383.3000 285153892.6000 350173324.7000 420029444.4000 692143405.8000 583621730.7000 581361295.8000 439339487.8000 346687202.0000 281643659.8000 409885341.1000 242956829.1000 254612017.5000 438045021.3000 133829429.6000 765876635.1000 262099497.0000 694738460.2000 782116602.4000 213802114.2000 565715922.7000 362577240.7000 400948296.0000 902915478.8000 653813723.9000 640720562.9000 362985665.3000 322095958.9000 296195822.8000 595637640.0000 284976770.3000 358314014.3000 808802122.5000 157802627.6000 731160667.6000 237754243.1000 689418491.4000 874588664.4000 266953725.7000 Creatinine 543801452.3000 405472052.9000 469644050.5000 361803154.3000 296263870.1000 398154168.8000 295780878.3000 414888887.3000 486052356.0000 301775913.2000 492230295.1000 498156631.3000 492445629.0000 377728090.5000 444531854.7000 444981269.2000 343641903.7000 461627064.8000 369049491.4000 770906243.8000 546502008.5000 437098692.9000 395427547.9000 358268447.7000 470294267.8000 322775964.1000 472443563.7000 598097868.4000 362651111.7000 532283781.3000 632843423.1000 553520661.1000 500266276.5000 544086719.4000 522238958.6000 411392743.8000 460905552.9000 482843444.2000 602684795.5000 470282690.8000 394310475.1000 397091463.1000 417944968.5000 468978329.7000 292943910.9000 413581463.6000 496926276.0000 303632362.9000 522913085.4000 550642233.4000 512597468.0000 417419893.1000 501660133.8000 498407979.0000 338644185.5000 446933289.0000 442567572.7000 890975302.5000 648189654.8000 574702844.6000 503160045.1000 399189072.8000 510612237.7000 344256847.3000 602830039.6000 476107349.6000 480593904.3000 664862157.7000 639453641.8000 718102106.8000 504083095.3000 657445737.6000 655651050.2000 421024200.6000 489792492.4000 584575351.3000 Cyclandelate 27010594.5800 25620638.0400 27053669.4700 26902592.7200 25277036.0900 29564056.1900 26979606.2300 28112730.3900 27418044.7000 25129883.3200 27464032.3900 25776030.1600 25717619.6700 29356119.7500 25679884.2400 28127177.9300 24442591.2400 25164633.9900 26998019.3900 26266339.9400 26650401.8400 2581991.9820 25666317.3100 27975606.4300 28221674.6600 27686083.3400 28134736.8700 24386965.3200 24934438.9600 27372755.2000 25044346.3000 24969626.9100 24892453.1600 25006978.5700 27966044.2000 25145480.1400 1436109.8250 24709469.0300 24386692.1600 26845065.5000 26841931.3000 27149585.2300 27922953.3900 24710051.7400 26473376.0400 27353871.8900 26006996.4800 910285.7127 25985705.4100 26573839.5600 27874928.4800 25625551.7500 27727233.7800 26928223.0200 26679303.9500 27523343.9100 24675771.0000 26168050.7200 26025857.3100 25674833.1300 25167998.9900 25955713.1500 29324252.4900 26340852.8400 1476357.2630 24687017.2200 26282394.6700 802224.1844 26274671.4100 25737338.6400 26095182.8000 26313690.5100 24816204.4900 25498621.2000 25259486.4100 25525045.1500 Cytosine 319376.9667 166277.8022 54010.2172 825436.2909 159430.9021 346775.5542 148344.5659 614453.9574 200486.0053 386470.3481 333014.1346 327560.5497 252176.9535 141495.2030 9542.1102 252564.3716 517713.5161 28559.5569 539234.2805 226452.9567 147376.3410 83761.4188 698706.0300 688729.0624 58552.7917 96654.5938 317548.5745 196898.3551 478909.0920 300511.3129 369284.4539 241587.5990 57498.2072 87691.2444 312757.1151 22222.7350 56423.9609 58919.3780 556759.2318 53507.5664 45801.5182 397709.6238 249449.1578 146668.8209 319615.7249 10440.6581 471542.1692 95404.5661 24800.2350 82826.5663 302693.8265 53924.0738 240569.9008 305771.2607 87722.6346 54778.5249 5777.6747 337699.1366 306923.3174 185121.8336 435971.5533 86234.2297 658452.9516 45818.8346 277006.2324 96518.6030 379692.2626 445197.1933 177919.3751 42739.9384 243181.2036 599558.6880 288591.0948 521018.4651 322683.3677 127381.3743 Decaethylene Glycol(PEG-10) 84422570.0200 86291520.7400 82379167.4500 79991234.6900 89562303.9900 83457067.4500 74384870.9400 74879803.0400 90434074.8500 78351991.6200 81034174.8500 86989693.6900 78275769.2600 84787835.4600 79201068.8400 85662514.4700 77799832.7100 74519827.8600 77410016.9600 87374012.6200 80762552.2200 79444919.5000 79920211.5600 81831990.3800 86523472.3700 87369523.7500 83889922.9600 80161573.0900 85275693.8300 86157693.2800 82066330.7800 83911452.7100 84560166.0100 77230885.8700 78551341.7600 76402927.4400 76339075.5800 75992811.0800 82264410.5300 80474712.4100 82043436.0100 79879648.4400 82732092.7000 76168655.2800 87118374.0300 78771810.6700 77220677.6400 79685162.0900 77344884.9600 82417354.9500 77901961.9400 83354981.1400 79278624.3400 79215933.2200 83279481.8200 76964413.3000 76563566.3700 74568542.2000 77824555.7000 77040204.2800 80565510.2400 79318683.8000 80782658.0300 88133192.3600 75968012.8200 84817586.6900 76552339.0800 78161927.4700 90527234.5600 72757496.7600 76596737.8100 75212285.0800 74196427.0500 80594295.8100 76689877.9300 85720360.3200 Decanoylcarnitine(AcCa(10:0) 205047929.1000 98160932.8800 206311555.6000 154671651.6000 103346374.0000 91293392.8700 175095866.3000 126584284.5000 129275550.5000 85234887.4500 107672200.5000 181496192.5000 347770947.6000 123260665.0000 156992719.2000 110619839.1000 99063508.9500 523111411.3000 93907849.0100 291816087.9000 75859104.9800 251485749.7000 50269822.6800 99329025.2400 83239720.0100 97543659.4300 189782582.3000 29909987.8100 161783258.2000 57963076.4200 161144231.7000 176924548.1000 56206139.7300 212219219.4000 187157469.2000 49540638.9400 286148802.3000 107569671.9000 179554443.3000 58759762.9300 80181890.8200 121890684.4000 166713885.4000 138883913.2000 112212180.9000 266718445.2000 127963103.2000 137373806.7000 65901861.1200 111442533.5000 328982410.5000 85126126.8800 164938736.2000 221067524.8000 85949302.2700 184273219.3000 180811974.2000 711549187.6000 113005758.3000 167853833.2000 221399581.2000 250227862.6000 167155719.7000 145964497.0000 364578436.1000 215983483.9000 226519786.3000 192502807.2000 154804586.7000 572654666.8000 178820238.3000 308405016.2000 237834717.5000 99117253.4300 193438006.8000 208912230.7000 Decenoylcarnitine(AcCa(10:1) 147843467.3000 83468021.3800 167298582.6000 128567595.3000 95260406.3300 86436135.8900 101797373.9000 97985391.8200 127261780.1000 61892000.5500 96629542.2800 227095820.9000 253455494.1000 132219831.7000 136842251.2000 88209956.8800 81534022.1900 248158760.3000 143350205.9000 255611602.0000 71568275.0600 154352955.1000 43114362.0900 117053811.0000 77838824.2300 52133294.9700 98857251.0900 62900225.1800 124041781.7000 58003043.5200 125258224.6000 150815993.5000 77993952.3400 211120070.3000 146448647.6000 34286894.3300 240290304.2000 124077989.0000 160355863.9000 60032946.3300 62258270.9000 95491036.6400 124084800.4000 123664020.7000 62728795.3400 160669966.4000 149100921.8000 91033242.5400 65327201.0700 110411459.2000 265273898.7000 81603396.8600 151890670.6000 143596641.3000 66388332.5600 193948233.8000 134205568.3000 484305497.9000 123433714.3000 132842098.4000 152907870.9000 194335913.2000 148795265.9000 104121223.1000 282543482.1000 226087768.9000 184752281.9000 172644773.8000 182151740.5000 456480056.6000 174762728.0000 273461026.9000 164955253.2000 89322304.9600 203886050.6000 165599410.4000 Decenoylcarnitine(AcCa(10:1) 1 1263432.2960 944928.7932 1503628.1350 347210.9976 446012.1117 1792761.9710 904780.0127 1273975.3360 1467547.4740 1084156.5160 882976.3283 1178298.4790 1118602.9800 659227.6372 1645975.4740 1488077.1640 821555.2227 1177313.3910 1221860.9380 997646.3836 1079185.1910 1261574.4900 1048393.8250 909285.5048 1636734.1350 10049.3435 1024078.0690 746246.9445 711305.0614 722098.0964 1412118.1560 1376295.2520 656139.8383 1898293.3200 1561416.3370 1386026.6250 1168520.0840 795470.0298 868635.9572 2090469.4410 589161.5376 598279.1266 635399.8844 2969572.0240 695244.9153 1138988.9790 950594.1594 821365.0741 1192650.9730 1384646.9930 1245687.5940 550872.6276 1916388.6590 1396758.3900 1101436.1600 1049922.4070 1269199.4410 2134205.6890 2322817.0660 112922.8027 2167147.8440 689652.4393 3661559.0630 271633.3429 2532549.7070 501805.8809 1958291.9990 2238025.0260 2413394.2610 2586049.0180 1833026.4520 3504759.5150 2778639.7790 2085614.9090 1624577.3130 946575.6897 Decenoylcarnitine(AcCa(10:1) 2 32344515.0200 21742264.9600 34395330.5800 25518056.1000 14765968.0200 21678704.7600 13850020.6500 24600532.9800 24749741.7600 14539790.4700 17735766.0600 94655543.4700 40843814.3700 38384592.9900 29756531.0200 19980192.4400 34233768.9600 41256656.1000 49949954.1900 77640727.7900 36219901.2000 31217283.0300 21223044.9000 36640122.5700 27977382.5800 11428712.7900 28302724.5600 31087565.7000 30692520.1600 28584562.3800 52225422.9000 46587568.0600 38232525.8000 47578390.4400 32978621.8800 25900210.1900 52493457.8600 42548223.0700 52081677.2200 30442371.2800 22616979.8500 21662122.2300 19621829.2000 35136173.1600 9978947.5940 32864406.2200 33842376.9500 24928748.4900 26515810.9900 53226675.9500 32979399.3400 31777834.2800 37557434.3300 26892613.2600 29651570.3000 46767144.4800 34651183.8900 101488966.9000 50755761.3200 55323885.7200 37623185.9200 28053450.1700 39606192.6100 12713718.7000 46006943.0700 51502883.7100 51616037.3000 47409601.3800 100995383.4000 78830545.6600 64832947.0500 68839417.3400 45433860.5900 46156590.9600 75635842.3100 49294891.7900 Decenoylcarnitine(AcCa(10:1) 3 11041375.0600 15105035.5500 34391426.7500 25511057.9900 17098765.8100 15687719.0100 17260917.9900 19244314.7900 24310451.4100 9679824.2960 20917.0206 44865614.9100 37939025.4400 26517975.8000 30663118.7700 15158566.9800 16181092.0200 39438111.4800 22367692.5800 60664615.3500 11208072.6000 17325581.2100 8899181.1610 20655480.1400 16912985.7600 13106671.3900 31312164.4400 6656971.7680 37661914.2200 11435701.7300 26038698.4200 34726744.3300 14637133.1100 36689338.3800 23652103.7100 6138088.8880 37781084.8700 22664651.5100 26657753.7200 4520213.8840 7192689.7320 19939998.3500 23871608.9400 26858967.7400 12680519.9200 45493368.3900 23460386.5200 24118982.6100 9717534.3600 13898793.8500 38509868.6000 13646919.6700 26622533.2300 18550627.4900 17532574.6800 35264585.2700 20709009.0700 76154809.7300 18276572.3200 16967914.5300 24391308.0300 12987135.8600 27135709.1800 18852093.1900 53713968.3700 32036596.4700 33139013.1300 33407251.7300 49032603.7400 50009670.1300 26702780.3300 41883730.0700 15775089.4100 12771142.4700 35719240.7900 35334433.0000 Dihydrothymine 6555712.7960 5810229.7510 3745979.0910 5621547.0980 3752104.5660 4141571.1240 4370622.2740 3753662.9340 6450485.6260 5711722.1580 4410083.7220 6734119.8310 4170402.9550 3805990.9690 4048924.7960 3597633.2710 5445244.7000 6276291.9890 7274395.3010 4983447.3740 4640022.8200 4753946.2970 4377358.4080 4475236.7990 5046897.7310 3160975.9460 3441535.7630 7570874.2260 5264156.0590 4570279.3910 5550447.1120 3963219.7190 3691416.7130 5936405.0090 6155715.7720 5446130.0570 7012066.2470 8537138.4710 5573984.3240 6304066.1710 3846683.2010 4471942.8790 4630917.2540 4675690.2310 4563303.6120 4915572.5510 8172486.4530 5427892.2180 5497959.2580 5327597.9300 5468457.1810 3854409.2150 5418735.9760 5420326.6230 4781601.8110 7283246.0510 7103895.0220 12464065.7400 9891646.2020 6537333.0970 7473967.3980 7629815.6730 7822616.9550 5723753.0620 8246412.3510 9272214.0100 9275402.4040 9545615.0160 8314043.9220 10519469.6000 8373195.0610 8524994.4970 8141139.9810 8060280.7740 8142605.8220 12552984.6200 Dodecaethylene glycol(PEG-12) 2913486.3260 3089632.8050 3052525.8680 3249463.4240 3216615.4270 3057459.8250 2974179.8450 3073296.0130 3079994.4280 3110963.8810 3242945.1530 3247614.5210 3096108.0080 3225692.8320 3313866.8780 3166870.9830 3045652.7490 2914293.0340 3127512.1760 3093737.4160 3081819.4670 3169192.8260 3163096.8520 2996098.9880 3113082.7490 2997952.4530 2913577.4610 2956161.6650 3054801.8380 3120256.6070 3079847.8170 3074885.1460 3151053.8140 3119671.5870 3087738.9020 3059382.0170 3056618.4770 3129557.2410 3200131.3490 3181739.2530 3049168.7900 3054789.6750 2918205.9700 3006321.7240 2880004.6550 3207524.4780 2958525.1730 3148992.2330 3030208.1540 3159041.3240 3118483.8900 3187821.1760 3090615.4120 3126278.1200 2907369.2400 3102894.6100 3150687.4830 2723217.9540 2840756.9030 3019690.8990 2879831.2950 3078820.5470 2981318.8150 3155541.8210 2998859.4310 2895871.5550 3057429.1920 3052871.9890 3289243.0150 2974763.2500 3027877.7020 3058176.4610 2979677.8850 2956612.4450 2881715.6230 2968318.1810 Dodecanoylcarnitine(AcCa(12:0) 65269045.9500 29670215.6800 67284016.3300 31255628.9900 24467887.4100 17495613.2100 47635106.8700 43710559.1900 37797518.9000 19597459.7900 31124505.1200 54556867.4500 85163535.0400 39946580.5500 33824831.2000 23952946.2500 26117523.6600 126764602.2000 30510729.2200 76649149.0600 18524005.0000 91801616.9300 11736491.3000 25493644.3400 18472034.0900 16228571.4900 59480480.9000 7172088.6190 38354349.2200 16914708.7500 40847757.2800 42858893.0300 16747408.5700 43425170.7500 39089751.6800 12134741.3500 64081404.1100 42648711.3300 57106378.3000 20240541.3700 23841827.1700 31107462.8300 45473985.1300 36205969.7900 28023868.7700 88002582.9000 25769271.1100 26026890.8400 17249573.5000 29249962.9000 75907841.3500 23359087.9800 27944497.7100 46271176.3800 20310329.7600 48504496.1300 47426614.9200 269759793.1000 65736832.3800 75392525.9700 69959328.6400 78449167.9100 54078136.9800 44656012.5300 180365281.5000 79219091.9400 91851452.8100 78926153.5000 54729935.5100 247730019.7000 73051908.1300 90425262.9100 76869493.6400 46417345.6200 78565851.0300 139277867.5000 Dodecenoylcarnitine(AcCa(12:1) 40623094.1400 14295464.9700 36655382.5300 21081267.2600 12303535.8900 10852514.8800 25708342.2500 17737527.5900 17629294.7600 8254695.8660 18589474.1500 39554800.3300 57050140.6200 24595582.5100 17792924.0100 12461369.3400 16358801.7600 58780926.7800 18949645.3200 74482222.4500 8751012.8070 79106201.9500 6147591.5990 11802820.1600 12206437.8300 8463831.8460 21621656.8000 3632686.3000 26208244.0000 8296131.6800 18672023.5900 20163484.3600 8897080.7390 39782630.5500 23898853.3500 7700293.8360 45494985.4500 27541245.1700 34280872.2900 6681616.9040 9735856.1180 15762727.4500 20581042.5700 20061731.3900 11860265.9700 47939092.2500 15726806.6500 12206133.2200 8156021.6550 11787543.6300 51258103.6400 10293094.8200 19081645.6500 26489161.7900 12679736.7700 27917187.6000 30475567.8100 190213043.5000 23129150.0000 37529875.8200 39495995.7900 54088068.6100 31060805.3000 23700106.8200 114778793.3000 45608678.6700 65791177.4900 60209372.6800 26486423.1800 133892586.2000 37981902.7700 69854895.2500 60456454.4900 33915907.9100 39586974.6700 72322845.7100 Dopamine quinone 76193.9124 369899.2582 69369.0406 191146.3809 288272.6319 179265.5673 135445.0730 212745.3163 148058.4436 249267.2252 54042.3113 217752.2877 235662.4543 197228.7019 151520.3496 5558546.7900 89698.7437 33372.8137 239044.4087 214579.2070 124007.9910 565536.9225 105191.3727 302307.1428 110947.8907 118966.0408 897941.8600 109807.5805 42579.2450 62031.4789 134392.7096 122989.6070 27720.2328 1112392.1450 182642715.5000 35666.4264 84518.8769 134080.8982 410686.5871 96730.4904 76889.4917 338949.9786 153404.2101 260839.2256 376341.3616 3049145.6570 209515.2700 187590.5317 344223.7886 118916.0710 170575.8234 711632.5533 2948085.7850 157303862.3000 216777.8771 104381.8623 102260.1457 103135.6161 116567.4916 147298.9030 588262.1766 257017.5372 951436.5026 164591.4432 1524306.9890 267203.3761 57460.2439 63049.8629 190567.7309 65673.2761 168510.0729 2910477.5330 355463699.9000 91081.9071 178415.0817 32080.5953 Eicoseneoylcarnitine(AcCa(20:1) 2642486.6330 508563.9631 1079870.9080 1146992.4890 1045133.5330 1086665.4650 1612502.1160 624597.3318 1318430.8220 1488554.6980 1118568.9430 1343948.9260 839883.6742 1014876.7550 602460.7225 492627.5625 1026067.9050 1055403.9300 1384136.7750 2618638.7950 695285.7967 1724211.9230 1113990.8900 1063638.3420 1876117.7240 1294145.9150 1180970.4960 612251.0737 1915515.5480 1172206.7210 1143322.5170 1297688.2250 932136.2201 1356981.2180 988581.2367 544314.3681 1775484.2460 1828560.5680 1290139.1050 808443.4641 652744.5915 1291985.7140 1277279.1690 1646340.2230 1653179.3690 1395558.4230 902430.6785 1639571.3490 953671.7303 786482.8736 987845.0861 520410.2881 756186.7851 743326.6168 1365747.2910 1248263.5360 1630425.0800 5728804.2590 1930638.5240 1518068.9520 1672028.4380 2002221.5110 2095009.1480 1643103.5580 1843581.4700 1993190.5360 4051868.1070 3969596.8690 1605777.4420 5040737.3300 1340878.2890 2275470.3190 1572896.1140 2254003.8780 2163788.4490 4430109.9970 Gabapentin 167129.0360 252582.3006 208915.8016 239701.5697 143908.2688 354871.0471 406284.8121 47609.2325 340702.4434 111680.4036 105574.5246 144676.3858 179291.7228 278601.1368 50092.8441 232477.0640 299277.2035 147930.1173 219288.8859 149254.0425 107068.6974 294831.7390 65917.8566 259345.1350 154512.6896 235920.0707 354201.0728 193645.5959 53680.0606 152657.9925 360689.5082 119453.7074 40103.3175 90739.9524 97165.2960 273423.6077 260963.4884 110707.9896 89020.4519 91559.1437 136277.1718 49055.3354 75881.3453 154634.8672 154269.3357 174764.1389 144281.8120 134983.2903 151014.6027 133079.5218 105760.7954 97176.3120 130900.3529 237373.1838 141897.3446 115844.4589 194253.4799 244697.8352 163882.3147 121405.5458 163972.4458 132665.9204 338970.9254 389517.4292 39878.9913 506161.0503 199924.7269 122560.2249 93010.2538 118134.7895 228723.6057 152788.1818 355974.6519 72576.5395 47302.7869 338664.4798 gamma-Glu-Ala 2123003.9400 1672024.1950 3077833.2150 557137.1888 2353300.1620 2081572.5060 2961918.7510 5015353.3490 2410484.3700 2209465.9570 2784832.7850 2082614.1480 3111727.6330 2036512.3190 2375114.7120 2498021.9060 3526929.2560 2261487.1890 1502651.4550 6880171.7890 3841867.0370 1980335.8800 1702078.6260 2354009.5820 1692902.1100 3819366.5610 3657357.0950 3505767.4890 1521070.5240 2828087.7460 1678098.6200 2756431.9630 2548272.8870 2129252.5820 1252849.0000 2920354.8390 1207758.0670 1483427.7910 4321839.7530 1485254.4540 1649647.4730 2579654.7460 3659603.2230 1658405.9230 2205458.6860 3230658.2690 3210871.4910 1452075.9460 1561264.7110 3296905.4190 2153002.6710 2748094.3130 5326747.9650 2634289.9720 1826768.5190 2398109.2430 2641239.1070 6511370.9280 5202461.8550 1878821.5330 3016999.8160 2064274.0220 2492308.3120 2163683.3950 3319623.8260 1905837.3450 2316447.2970 1772596.2440 3316307.6530 4445082.4540 2314135.1310 2306249.8010 2916843.7280 2081901.9780 1977123.8200 2121416.0250 gamma-Glu-Ile 4115041.8210 1822333.8660 3286353.4500 2245232.7230 2410468.5440 2911784.8920 3415217.9320 3640415.6230 1889599.4030 2481985.5600 3905317.0020 2743256.6610 2986146.8060 2415973.5420 3654829.6520 2710533.9780 2538504.9290 4367867.2720 4082950.8170 5940438.3470 3585211.4600 3104943.2660 3443818.7450 3461046.2090 3583600.3220 3460257.9120 3340913.4560 1979853.0070 4399078.0980 4223811.2150 5359323.0150 3301092.6960 4692695.9270 4561479.4730 3141604.2900 3635153.1070 2716811.5400 2033398.7140 4196358.1830 2674706.9710 3914741.2350 2934222.5000 3093930.2750 5825031.9540 2964573.3300 4232140.1330 2354671.0780 2646547.1170 5100706.7740 5330158.8170 2374997.2240 3808247.3600 3766307.1710 4154714.5700 3187212.2570 2658670.8960 3564737.1690 6420907.4280 2828594.6720 4710773.2150 4263995.3970 4284931.2290 5728889.0280 2396387.5690 4451453.9860 1460641.2680 4171989.6170 4502311.8190 8164058.6370 4431514.5420 4505791.7340 4889994.7850 3768341.8740 4396983.3820 2629055.1900 4847052.9180 gamma-Glu-Leu 44840852.2300 21873298.3800 41389512.2800 26516789.2100 26238145.1100 32472389.5200 36616322.2400 42929577.1600 21903777.4300 27469743.8100 38660801.3000 30980737.4600 38841937.5700 30478044.9700 40726206.8700 34247914.9500 33711260.5300 44995811.1700 35461492.9100 66787609.7600 43908701.5900 32561068.2200 33711722.4300 31091810.4200 31853426.4700 37324743.5900 36605384.9500 19079739.3000 39548638.6200 42796647.9000 50227038.3400 39004023.3500 44722086.9000 43062675.8900 35568936.8000 37651731.6800 30459139.2500 23452904.3800 49387091.4100 24206179.4700 45924663.0600 32401605.8100 34491620.4300 53380344.5400 33830245.0900 49469715.3400 23901087.8900 29560442.4000 43763650.2000 51820965.2000 32285400.0800 42573869.6000 40802674.2300 50857988.4900 37395639.3500 28728082.0800 40258975.0700 62820302.6600 27372513.5100 45356500.3700 42060148.1000 43501274.9500 50139952.7800 26014698.8600 43452835.2600 17702272.2200 36463592.0200 36806343.5200 69231358.1100 49642676.5900 41423664.0100 42834710.5800 39465847.8200 38758478.2200 29904447.0400 43484069.9800 gamma-Glu-Met 1695892.0720 1313974.5550 3025735.6910 1787928.7960 3089836.7000 1798868.8870 2205723.9110 4759957.5230 1101309.2630 1427483.4720 2319112.2100 1614094.4360 2220370.9850 990740.5007 2043810.8990 1248756.6010 1298474.6090 1672821.7110 1645361.8100 8188127.7500 2156701.0750 1061723.0810 2449790.5620 1386502.3350 1181030.2070 2154084.9420 1867427.6620 1479633.3730 1657417.3820 2004108.4620 1681685.4540 1496462.2890 1606200.2520 1504799.5600 1352156.9230 2044197.5620 1515967.3170 843531.4264 2070757.3200 1091100.2020 2862302.8650 1965492.0500 3138356.0750 4445952.6360 3396641.6700 2693699.9840 2186112.7880 902718.3102 2601376.9790 2505426.8580 2623385.6300 1266778.1880 1918419.9620 3335604.2600 824582.8774 2747830.6430 2887332.4980 2608929.7130 2923866.1310 2039882.6520 2001660.3170 3014038.4020 1205549.7940 2698783.1610 1853647.4890 1481525.3710 2753251.4390 1423031.7730 2058425.1250 4898691.1120 2037651.8310 2071846.7820 1914746.2830 884904.3817 2192963.5500 876378.8114 gamma-Glu-Phe 18151266.5600 6436712.1660 9070155.9100 6825599.0250 6177956.6450 8611433.5760 7679693.4580 9284794.8610 7672731.7040 6671556.7930 8803898.3100 8025886.8560 9228660.7860 8487056.0020 11081464.2300 7738570.2390 7884611.8500 8652346.9280 10108239.1900 23450823.5100 10707300.5800 8851225.7440 8856208.6930 7957069.4430 9529343.3000 7491671.1360 9157314.1610 6445359.5790 8844367.7910 10478507.1500 10973678.9600 10465118.5500 10930411.4900 10106416.5700 8515345.0020 9130459.9710 7987464.0010 8252211.4560 16919798.7900 6103361.1920 10118238.7300 7647605.0520 7457777.6120 10740103.5300 6378610.1810 9785635.5300 6423225.0360 6817851.8680 10150886.8900 11150906.1400 7892706.7750 9923736.4870 9324444.6030 9499165.7090 7805863.3980 7183070.7880 10150178.6600 29782250.4300 9486594.3270 13625471.5200 11221662.9800 9830419.9780 13243796.9700 6131119.3270 12984580.1500 5406283.0520 11325491.0600 11555558.6000 15722358.4600 14541366.0200 13082920.7800 12004746.8800 11292253.3600 10629030.6500 9808072.8720 15052065.0800 gamma-Glu-Thr 18133266.2000 18081450.5700 15833732.8300 14701379.6800 20329637.7400 15400065.2800 16889438.0000 16677351.7800 17835997.0900 15450642.3400 19400487.6400 15227039.9500 15648922.9200 17827219.2100 15525968.4100 17329190.6600 14873493.6800 18657542.6400 17960665.2000 16715673.8900 17164095.6000 19353906.2300 16844057.3900 17274879.0900 18027154.7200 15606629.9700 15183450.8000 15280333.8100 17114634.9600 18647767.1600 17708873.7700 15675446.9200 17464594.3400 16105632.2100 17702767.7300 16371903.9800 17084689.4900 19007914.9800 17733532.7000 19623356.5400 17501163.1800 16867430.3200 16896832.0200 17918041.4100 17201129.7900 15675705.2700 20620453.5100 17594217.5200 18245957.3100 17028805.9500 16212017.3400 14422118.4700 16031139.0400 18058929.8100 16442616.7800 19304138.9700 18343904.5600 16603613.1300 17354336.5700 16774782.1100 15451473.5400 19011659.9800 18004505.5200 16797200.3000 14675841.3600 18414419.1400 16480359.5000 17027925.8400 17506573.4400 15598314.5400 18041202.0600 18778255.4400 18017637.7600 15731898.0700 15607031.7600 17468465.7400 gamma-Glu-Tyr 7672933.6120 3081658.8680 5796305.6210 4824538.8030 3790849.7380 5587280.3000 6209043.4270 5954025.1910 2922774.5330 4455871.3350 4872790.8720 3321209.8010 5360116.5790 5142101.4460 7101341.0500 5702794.9910 4003147.0080 4420251.1520 6388134.6990 8750569.6040 5291152.5950 5500993.8640 6041379.4980 4295996.6450 4341452.0530 5524816.4670 5617491.0710 3370303.3150 5602880.1940 5356596.6750 5867875.4260 5323014.3160 6479186.2680 7191134.8970 5089902.2320 4895658.8170 4534725.5110 4525129.9700 8215604.9190 3392629.6760 7044260.9100 4883054.4700 4444001.3410 6110493.3020 5290026.5870 5654287.9320 4185579.5840 4259999.0860 6729372.0550 6757840.4590 4080737.4850 7388555.8690 6800987.4670 7822616.8750 4169295.3150 3662003.4860 6716468.8810 14518017.2100 4695684.3920 9194560.2340 8421256.2990 7837110.3860 7288771.3040 5211827.2100 7403378.2540 3480975.3590 7788580.8950 6658689.5930 9362700.4720 7008658.6060 9564825.9390 8926619.4320 7476104.6640 5581843.0300 4901383.8700 9254713.9150 gamma-Glu-Val 14217182.1800 6832745.3100 10631603.5500 9022731.2520 6679331.3710 10387411.2700 10408986.6700 13657653.8600 6821377.9350 9044348.3060 12344164.7100 8913187.1290 12218996.4700 8406126.0470 11253182.3500 9501544.4770 9651634.0890 15841934.2900 12816278.7000 14105914.4100 10787687.2600 11611801.1100 12055701.9500 10125323.9600 13156222.9100 8618951.4290 10647904.8500 6242528.4410 11896557.7100 10532490.5900 17935209.2800 11832555.4900 11701049.1800 13480780.9600 11258444.5500 11441059.9800 9103001.0640 8642313.9530 15437707.1900 10771852.0800 14075331.4800 10257871.6000 8008026.9360 16529373.8500 8581843.3270 14899170.1300 8676627.3190 9612755.7230 13652379.3500 17205202.0700 10219959.1900 10436462.1200 13931782.9400 15375315.8500 11159646.9700 9245346.1440 13304035.6700 27278029.0300 10295537.0100 18296642.6100 15136004.6500 15156474.2500 20233174.3800 6714032.5090 16566544.4300 7439193.0690 14008853.3700 13035072.4000 23975525.9900 15564277.5800 13975410.7600 18063775.0700 15122750.9800 13927050.3200 9879858.1340 18415192.7700 Glp-Gly 4008388.4150 7056801.9430 7312379.3930 5967120.2070 3918500.2520 7640241.4930 9121630.7600 8997186.0850 3579552.9800 5537285.2330 5813796.8700 6253614.9990 4536983.4570 3727270.8330 7419510.9870 7075012.0790 4489296.9180 12723432.9000 5052233.2840 7883878.3150 6120315.1370 8063357.4620 4644470.6740 6407780.8340 5250163.7790 5172522.5170 5620159.0480 8424027.7290 7405890.5050 6429230.4800 5212122.5280 7091471.2660 4456654.0850 3999282.1860 9680033.8530 8373145.6710 4391900.9210 4780452.1960 8425499.4610 6784044.9190 8706560.1840 8553212.9740 4001075.1580 9440569.5170 6876564.6740 4105527.5090 10352900.6200 6925182.2470 9395093.6550 8356364.8970 5465990.9620 6323233.9390 5961383.6110 5504848.0060 3765703.6920 6208478.8090 5072169.1200 9800053.4460 11701963.1300 3987065.8950 8076141.0220 8138327.8760 8350860.2200 7298654.6410 6242026.4360 6848082.4680 8247032.8030 8757388.1060 5688044.3350 4890057.2350 8280880.6410 5585639.9300 7205647.8400 5513601.8380 7588044.3600 5551040.8130 Glu-Leu 127832.3968 61106.3052 47859.2342 8320.1985 68332.0335 22496.8870 138603.0084 81616.3114 15522.2844 70838.4592 128009.1726 7227.0801 69855.1585 28192.0682 44741.7635 22779.3636 173166.6722 59703.3485 17150.0442 44005.1484 47550.6406 20239.7531 4547.1808 38806.5203 71459.1339 201121.7873 43702.2627 52177.7802 27547.6432 82787.2843 52169.5060 29570.7555 91844.0514 46246.1564 79783.1365 89434.8770 19559.9578 32972.4223 32768.4374 42765.7803 95358.5417 52349.3477 50856.3024 130674.9211 62601.3218 5650.2716 164621.9307 48596.3917 25985.2879 72341.6350 71681.6778 4865.7217 34457.5521 88585.4212 224672.5103 79730.7250 43174.4582 83907.4343 55910.8092 115086.8539 101714.0824 169992.4831 10933.3264 38887.9587 141870.7820 12341.4328 18317.6912 41926.9102 78949.4495 5681.9897 87679.8963 104603.3340 7889.5299 27058.7009 55957.2239 13893.9502 Glu-Phe 65356.9517 48070.1397 82522.6016 22643.1118 93167.4853 20721.7340 54223.9042 24837.5912 53772.1919 46502.4332 52977.6970 6435.3272 19666.8597 30065.8965 44740.0037 44774.6494 58526.6790 69298.4908 4052.9376 111303.1040 22055.1980 50004.2761 74345.8322 83455.1861 22404.1730 80856.8379 51608.0340 59723.3266 36284.1021 32095.6171 44195.9525 54251.3671 150739.9315 210155.9170 71091.9751 78059.7343 83341.0074 42133.4193 22779.9282 54717.9960 57979.4445 43178.4582 89085.8983 48981.3504 24437.5876 16937.1475 162423.8526 13358.4346 13719.2286 42710.6086 45103.8018 11738.1886 54098.9975 36457.6011 137005.8110 14934.7974 34417.2524 265115.4557 140210.0269 114176.2481 75324.3603 135280.6714 41397.8623 79844.2576 86826.8509 37964.4175 22824.5423 74427.1224 46296.4838 44710.6574 43814.5486 77080.1706 32740.6544 19399.1755 72613.8096 6225.0241 Glutarylcarnitine(AcCa(5:0-DC) 118106.1208 102591.4205 162966.3443 160555.4585 35705.1220 173893.2284 196423.2950 229765.7849 78472.7126 69297.1117 119347.3322 124612.6866 160761.6460 156187.0249 169102.4376 69719.1664 154479.5925 128372.0677 153283.6259 86966.1152 54231.2148 148991.8262 168136.9092 32417.7317 137410.0786 199564.3554 174140.8507 94218.1766 72463.4991 49161.0139 121667.5272 151450.1924 180994.9818 140364.4365 74372.8999 223873.9618 145456.5388 120393.2135 96217.8116 131447.3761 207875.8127 133503.8698 28290.0337 191448.3841 194337.1768 200440.5018 164531.0755 58592.3512 132048.6786 145262.7478 127832.1885 174198.0515 158084.5144 111573.7101 177026.2578 70784.1184 184869.4996 296722.8046 239439.3875 305465.8243 187490.5792 77910.4756 199048.9537 198657.4438 403652.4677 118810.3405 159885.6602 214567.2559 179519.5801 228522.9427 277418.9988 244982.9026 146303.1838 195330.9787 141454.2724 183337.2788 Glycerophosphocholine 183869965.2000 48367840.5200 20834117.5700 74188095.9000 28384704.1300 62349888.4000 79677335.9900 49397672.4400 36827274.9500 67154921.3200 70781209.6700 46023357.3100 55785945.6000 14924092.3000 20625354.0800 58325528.5700 23093130.3900 36580653.0700 78788108.0300 12896341.3200 39251491.1700 89305739.1000 38874711.9700 27107500.2800 43136343.1400 11835272.0100 10672011.4600 51766452.4000 29145723.2200 27675150.7900 58158841.5400 21400276.0400 11456233.4600 34623736.2300 74858523.0800 45160221.0500 59731856.4000 39960763.8600 57467926.4800 234917846.5000 94252436.4400 33915880.0500 21702935.8000 47868024.0900 66638833.0200 51367397.2400 107458163.0000 51266173.5000 57968271.7400 99828928.3800 111161533.9000 17446374.5900 42779809.6600 102456761.8000 22905334.6600 77408168.1600 103590041.7000 25416198.9800 32458517.7000 61973700.3700 34381458.5000 134115734.4000 48212345.7200 25617002.0700 29633593.0300 81334424.6200 32431602.4600 27945949.8100 21917004.3800 42774227.9800 50203429.0300 49451569.0000 58757893.2800 20730660.2900 14586869.2100 21547870.8800 Glycerylphosphorylethanolamine 2993523.9620 3524355.8840 3649511.0130 2283803.6940 1553554.8910 1534392.1740 2235787.7620 3164420.0680 4229224.8360 5394388.7030 2044028.8890 2409190.8980 2387390.3410 2340356.1800 1924626.4350 3739713.2100 2336766.2080 2666881.8900 2781464.9160 4074585.7940 3347642.0210 2179981.2970 1624077.1230 2875048.9630 1115113.8200 2895109.1880 1853419.3530 3180111.5700 1839421.8310 4494742.0110 3739568.6320 3556660.6350 2857322.3310 3209485.4860 2549565.8730 2340768.9070 2821710.6980 2821365.1940 3406926.2320 2347448.1170 3650316.1300 5573734.4880 3548646.4550 1798840.0020 1952565.6720 2096339.1940 2487922.4010 1777446.1860 2900778.5160 2756762.9780 3389227.5950 2384080.9930 3351633.7850 3245590.0660 2042649.0660 2974328.8540 2166538.5570 4369927.5570 3350713.3710 1765553.7550 4215609.4530 2739836.3630 2325015.8690 2167506.9780 2944972.7670 2486649.0000 2365015.5120 2756080.1290 1718804.3630 3919465.5600 1977182.8760 2311390.8590 3317946.5360 1191748.5840 3140995.5050 2389645.1620 Gly-Glu 251639.4471 318201.0195 136177.6530 435129.1685 319877.4585 135782.6319 222779.8967 532556.0662 446207.5536 138082.0317 228306.1936 91757.7564 124732.0221 35003.8481 163096.6841 441640.4973 65508.0942 117067.0255 709355.9032 1255522.8690 420330.8575 279809.5743 2094795.8510 1307322.8500 1544914.9290 2160896.1550 710330.0234 696686.3890 1270524.5180 1276458.5170 2099494.8400 1228023.3160 1920937.2220 771631.1485 655297.1930 2577155.9610 685918.4923 74395.2049 310627.2847 169029.6910 170638.6756 627021.9164 390186.7154 742968.0094 265066.8307 70791.3571 768296.1261 18483.4840 515573.4415 386238.6519 130793.9859 33398.8314 295417.3602 33675.5926 300489.2926 345660.8921 470080.4437 1633414.0450 346057.6824 763678.9971 1594926.3780 1255743.0870 742578.1629 450309.3733 635308.8818 309425.0101 490919.8683 562802.3987 957057.2066 1078177.4450 729152.7632 312320.5873 746605.5844 1091886.5500 233323.6069 602467.5408 Gly-Leu 565321.5927 431816.3034 606664.7377 494103.3791 365219.8013 347978.7800 741219.9866 592665.7828 676637.6193 485692.1279 426515.2764 236844.1201 472892.3972 397929.6496 397863.8152 271600.1209 453440.8771 381121.5016 411860.3800 772431.6187 635375.1657 504507.6854 685719.7904 551354.8064 408419.0064 993244.3954 713722.6126 1281171.4790 676091.4976 509332.2355 401925.2798 620956.0342 633712.0154 647081.7431 451428.7383 661850.7417 457983.6574 394795.7998 796967.8432 401883.8583 625047.1740 546998.9189 371147.6503 304991.1503 476162.5947 631415.8216 938742.9751 574998.8811 384755.1103 321099.3618 733610.5214 262049.4982 412597.5544 233761.7821 427632.3781 367742.5462 500736.0476 1182659.6280 618319.7574 790420.0869 685043.6020 470050.9724 401443.6473 650039.1107 779249.5139 804785.5475 873708.8657 476509.9642 345003.8885 847207.5220 575646.7356 424501.1776 305895.6076 531708.6777 345948.4812 552611.8637 Gly-Phe 439902.7460 132428.3825 194422.8743 112524.5317 263645.6701 221225.6996 252097.7054 263163.0307 258231.6739 267493.3442 236192.3969 215507.8002 167930.0136 196146.1292 269718.0788 227942.1538 268867.4925 239064.1628 263268.3688 346214.2130 223973.3898 188016.7450 257702.7128 270693.9710 238532.1267 391500.7682 359930.0063 302421.0487 215573.6374 218674.9563 341279.5084 239253.1302 423369.2636 790039.1128 342106.7832 304445.5704 393368.8090 224016.9248 373005.1902 306410.8536 261670.8851 200500.4448 264651.3059 225122.2434 245759.6299 235300.4262 370761.8261 253294.2378 193291.3483 197053.3849 209663.5042 217629.3234 234508.9178 183378.0842 275779.0451 199473.0557 228301.9284 685297.1636 304632.5816 260620.7591 334901.4078 336503.4499 247619.1745 272833.2512 365513.6442 272429.5628 394252.5885 257543.8429 259777.0957 205391.9893 247044.0991 275122.9513 257954.7360 226069.9427 121631.4711 206791.4332 Hematoporphyrin 1629313.6990 418472.2756 1181170.6530 351214.5532 118548.7770 445338.9259 406891.3809 400427.2216 694168.7225 693602.3546 348780.3980 864454.6498 796907.2473 252509.0994 232272.1790 332698.2075 203163.5288 527343.7266 593248.3304 1443826.1650 805853.6112 1143161.4810 174745.9680 89554.6250 191824.9251 169082.2889 248364.2695 1027606.0710 271787.0771 306596.2120 530538.4914 453996.0157 145979.7944 274673.0998 413907.5956 288407.0104 391308.0500 833665.9557 2091370.7450 1191967.2640 1106557.9810 385431.7623 168343.1482 494415.6679 308186.9495 684371.4070 1152104.0050 472065.6055 746940.1033 1106478.4250 974668.0510 417728.0232 478775.7714 832650.4563 199116.1452 681770.4627 1595613.7860 3271325.6940 1214872.4500 2016738.9940 722670.1138 629221.4540 516044.9749 385087.2388 1430346.8130 970763.5617 1079042.2950 795098.7549 321962.7754 1545573.0350 380309.9153 591932.1591 1403834.8660 480406.6020 493531.3909 1085437.9590 Heptaethylene Glycol(PEG-7) 149128426.6000 150594515.0000 148731161.6000 145624886.3000 153746427.4000 144271387.7000 140572025.8000 139878849.9000 149988922.6000 145770052.9000 143383690.7000 146594575.3000 141530044.7000 149678815.7000 141271452.9000 145800322.7000 143176344.1000 139922170.0000 147045713.3000 152855607.9000 150440741.0000 140653682.7000 141953503.1000 147973651.6000 147959969.6000 155248538.7000 147011507.4000 137602051.3000 148520465.3000 146169921.8000 147256552.7000 151980027.5000 151473401.8000 143727844.7000 144294193.2000 146729161.8000 144279624.9000 144441526.5000 149035859.1000 148203692.1000 144250207.5000 148779541.6000 145669343.3000 140334889.6000 148668330.1000 141448190.6000 139997723.8000 149135387.8000 140007351.2000 141002193.4000 142207138.1000 156980546.9000 143596373.8000 140487958.3000 147003309.6000 139684660.1000 137010708.1000 145311952.3000 147413737.6000 143830913.4000 148318719.9000 140655147.5000 150658234.4000 149576512.9000 143468016.7000 144568000.5000 137927097.6000 144373017.6000 151496072.3000 136611485.3000 135578421.7000 141751430.5000 136413917.1000 152481840.9000 144305112.8000 153219449.7000 Hexadecadienoylcarnitine(AcCa(16:2) 11000980.9900 5134582.8550 8068792.3890 4780130.4710 3608409.1970 3214042.7160 6189666.6210 6251037.7720 5135131.3750 3735085.0230 6171935.9570 11254976.9200 20379559.7900 9002967.3710 4392933.3260 4213298.2400 3899480.9190 12046291.5900 7582913.5350 15551866.7200 2741611.3710 18669892.7800 1920397.6880 5573704.0330 3552637.3220 2107872.5770 4593587.6920 2500731.7100 7750335.8080 3382156.4680 4967522.8650 8340508.3620 2935018.6640 7764014.5260 4737570.2240 1724760.6920 11269332.5000 8400928.6170 9199547.7930 3496824.0250 3046579.5890 3819550.0720 4765588.0160 5890489.0680 3852283.3490 9549033.2470 5725629.9580 4670109.5400 3528836.9840 4670900.5940 13640685.8800 3045573.3440 4938041.6520 5680253.3180 3037209.1790 9455097.1230 7581850.2730 91154954.2000 26873696.0400 14300127.3900 12717600.9000 15497839.6100 11444210.1700 6384726.3890 40275829.6800 25224958.1400 31301550.6400 23609676.1700 10607070.7000 116750339.1000 17548504.6600 25587455.1200 17008315.4300 11362141.2100 30857838.7100 53822158.8000 Hexadecenoylcarnitine(AcCa(16:1) 23239164.9000 5520401.3510 13766519.2800 12837819.7800 9891629.5110 9151042.5760 16706880.8900 10289548.2000 12247571.7000 10265375.7600 14694857.3400 16909691.5600 16191860.3700 15482534.0700 8546675.2430 6313992.7730 12273566.4300 20136471.3300 11496676.1800 34281511.9200 6613037.9610 26353185.9700 7309835.1750 8695044.9220 12815763.7800 8816396.3410 11460035.9700 5098813.2180 16609921.4300 10979916.7700 10855739.0100 10106737.1900 8056262.4130 15799994.1700 10853143.2300 7835245.5580 15771246.4700 16499088.5600 19786462.5400 5907057.1040 7298742.9180 12771204.9900 13547900.6700 15288474.7100 13005135.3700 18715796.8600 10355330.6700 11442998.4600 10488528.1300 8955121.9160 14477623.5900 5631658.2910 11269742.1700 10280049.1300 9041005.5400 13770847.2700 14853112.8500 109512253.9000 24683122.4300 22860412.8400 28861859.1500 26466274.1900 25911505.2200 21216306.5800 61479549.8400 30602475.6000 52474750.7800 51904896.0600 15079748.0600 104408715.8000 24086335.2600 38775425.5900 31803669.3500 29780057.1600 34301239.6300 79542207.6800 Hexanoylcarnitine(AcCa(6:0) 24216660.7900 9146115.5630 25776894.7500 17921935.2800 13658227.3500 15230413.0900 30078336.8200 14166455.8800 13450701.2100 13439730.9100 14354993.4400 21860130.8700 26815769.9700 15781669.2900 22654804.5100 9375356.8980 14578777.8000 46380798.1000 17075700.0100 36833200.9100 8136237.6880 42400821.0300 7467939.1940 13046701.1600 17012665.3200 13021104.5100 17214712.5900 3433710.6700 20586331.7900 9688745.1670 20453562.8100 19572118.2900 7548962.1460 35942808.0200 18907189.2300 8018997.6200 34356154.3300 18071887.5900 17105128.7600 6260050.7950 14309559.6100 17095663.9800 15077695.1200 21602279.5800 15790488.7200 26913825.2900 14352748.7700 15744131.1700 10278469.2300 14797285.8000 28141681.4900 10414008.6700 21895803.0700 15360450.4500 12080628.1700 19709873.7600 19118666.2900 67613575.4100 15116029.5300 27295289.1900 35713259.7100 37555497.1500 36138454.5400 26834198.9400 67775894.5900 27244762.8200 44521866.1600 31851901.6800 23308854.1200 65453717.2600 24167693.3400 59754341.1200 32986666.0700 22638991.3400 32817714.9400 37768605.3500 Hexenoylcarnitine(AcCa(6:1) 1157862.2250 1265218.9170 1241586.4230 1447112.9700 1737547.5350 1285582.6600 1079447.9220 1162419.4530 1264444.5200 1209294.7630 1446678.6730 3532514.4750 2178974.6390 2020143.9340 2103043.1310 1584051.3440 979042.0483 1900828.2970 2064400.5730 1778112.6500 1227247.6850 1713521.3980 1271638.1820 2496473.4370 1616609.7300 704171.7717 457321.5776 1090524.4760 1314496.7420 1002945.2340 2036120.7050 2174058.5570 1461429.8940 1724515.6580 1649946.6050 650534.1213 1889112.1960 1000518.9220 1598925.7540 1590682.8000 1143066.4690 1338913.5490 1864200.6080 1599427.2390 661726.6862 1049091.7590 1500521.5730 1344333.3360 1301036.5130 1689992.0240 2165578.8610 1386154.7400 1710299.8660 1623288.7800 830490.6940 2044537.9340 865659.8191 2284425.4960 1783100.1240 1827370.6450 1864689.4400 2454242.5260 1704384.3060 794075.1963 1488958.1700 1258427.8230 2868820.5630 1409562.1530 2714015.5310 3296863.7870 1894591.4760 3130248.4580 2382464.5510 1197806.7180 2395236.6480 1365683.2920 Hippuric acid 8632761.7860 17661235.2900 12152271.6800 30236703.4600 46966045.6400 69272312.7700 44931366.7400 85157956.6400 8884084.4210 5347762.9150 44161262.6900 26992893.6800 35990705.4000 51692907.1500 33126699.3000 38175946.7000 16010678.7700 35168028.7500 28813228.6100 1840900.2900 13048283.9100 5402254.7510 3250787.3650 7072546.1010 8722098.5440 106442872.0000 7186159.5100 4120082.8190 2428379.4630 11834080.6900 4987082.9530 18360099.9200 12563515.1800 6762280.7280 5784633.7380 2676776.7920 2532875.2660 7966944.7210 1479516.9340 40298264.9200 18464121.1600 5164323.7870 24446732.6400 19940805.7400 89110130.3200 9643892.9510 4598661.1670 3401437.6790 15008203.6300 19251748.0800 48769083.7800 26696988.0800 10451227.8700 8999628.0540 19200520.2400 4105729.3160 4455309.4960 4157410.7390 51125904.1200 27601005.8600 9911964.9030 25157545.2700 21984603.2500 170129747.7000 17667534.4900 5219542.2420 5714097.6720 22199153.7300 28020551.6300 72725555.7500 41156031.2700 13848461.2800 9779964.6850 7179086.0220 3093885.8070 7590945.8470 Hippuric acid-D5 387527185.4000 369283322.7000 381283847.6000 371297339.0000 344434112.2000 362083548.1000 396076206.8000 396605350.8000 370795369.6000 376391036.1000 407071738.3000 364500468.8000 394511581.6000 359334155.9000 408203979.1000 364144440.4000 374902429.9000 406985389.5000 379350047.1000 339644285.1000 381184407.7000 397312117.1000 377639904.6000 361035444.2000 372212029.5000 351510895.1000 337380804.5000 386021230.1000 365250851.5000 374868502.6000 398013785.9000 370208470.2000 360284708.8000 401603583.4000 380501953.4000 408882859.0000 410773457.9000 381762016.9000 372067633.4000 389538786.6000 400992961.8000 384151885.3000 368620025.6000 395981429.3000 352497097.4000 399011784.0000 396973850.9000 370608891.8000 404080357.9000 394682083.3000 397103056.6000 374433302.1000 399554658.3000 395118637.0000 357304790.8000 395083605.4000 386560292.7000 403282378.9000 384116820.8000 403280237.4000 390623707.5000 388758026.9000 370162188.6000 341332623.1000 398789421.5000 352445931.1000 397113248.7000 372993517.0000 353666317.0000 404451408.5000 390770053.0000 412707034.5000 401616405.0000 382782433.1000 373199005.1000 366572302.7000 His-Trp 8882.2381 6299.2786 45030.2344 19606.9110 48583.4679 6316.9120 36576.0279 29147.2039 26887.8913 18218.0649 37894.6897 2113.2890 14031.4522 15009.3736 5526.7646 15961.5897 12353.6421 23812.5187 5613.6824 29533.2009 16409.3453 35551.7550 9765.6835 2204.1886 2142.2704 24813.0119 18143.8570 27093.1952 13306.0768 20324.6744 9895.5826 21865.5207 69212.3986 102744.0597 58323.7255 48586.5680 59588.0266 14340.2205 47378.6108 2112.5648 30209.4130 4303.1596 8797.4994 10008.0002 10912.3710 2112.3377 12734.1787 2112.5629 11212.9435 24452.7786 8417.4624 25274.7289 17041.0290 9103.1358 2112.5646 5620.2964 2122.0656 165368.8658 61232.5537 89195.2049 45293.2775 90654.7938 5752.9997 21942.2025 45980.3709 15198.1239 31160.7444 21473.6925 23834.4648 36184.8127 41436.4665 76555.8665 35486.5234 13783.1115 17182.5366 5881.6563 Homo-L-Arg 5025030.9200 5899079.4320 4694170.6080 5520116.3790 13813020.5500 7092491.5780 16589133.2700 4615034.2540 4256598.5990 3890358.6570 7702672.5230 5795089.6080 4971445.9110 4542949.7460 5097192.6610 5083616.5370 5173619.5160 5038316.0550 6778767.6820 4789272.7240 6347931.1190 4963592.9390 5918095.2210 8518190.7000 7274247.2320 8751413.7440 5452289.3100 3041775.9760 6509449.1680 5125174.9260 5466110.6330 4334305.5170 4505656.5230 4558117.5880 7256235.1600 4355478.3760 4768721.6140 4761997.2770 4562444.3810 6070874.3080 7145543.6490 4793730.2060 9213736.4270 6637953.6170 10638067.5000 6040493.9770 4863793.3250 3872473.1120 4233325.6460 5142384.9940 6262135.7960 2854696.7990 4482122.9250 5994960.1260 8195184.4620 6017953.9200 4963505.7480 3742663.0350 6106204.1800 5255729.6930 3243234.8460 8936731.2010 6936697.4000 7551020.9330 4347436.3520 6437652.6960 3795783.3180 4705630.1810 6451459.3360 3239741.6910 3099074.3840 5709440.1990 5032454.9420 3837518.6820 5104621.8020 4841573.7780 Homostachydrine 16558730.7500 6270671.4170 7321062.9470 17023058.4800 13186939.4500 16641595.3200 14761649.4700 9206819.2820 4877918.8310 9958201.5990 10396711.1500 8936826.0960 12321361.2900 5862191.5170 7852564.4260 9103420.9600 6399866.1470 9426695.2340 8097903.2920 8816637.4890 7735746.5640 14671571.2300 23902958.1600 15200649.3000 20022348.3600 15434125.1300 13398031.4500 5575856.5680 13518137.1000 11002322.2500 10039536.7100 43780.7326 53139.6901 9058593.7180 10666906.6000 35259.6281 13117685.3500 9622124.6690 9666089.7850 10067482.0200 35215.8577 18206238.2700 16439269.5400 65250.1765 16703728.2400 14317356.5200 13736494.1900 13439651.1200 8172474.5480 9059207.0830 11065523.9700 5749186.9600 7921879.2100 9925036.7390 14640475.9500 9102736.8640 10073515.6200 12542030.9000 5080662.0960 10812828.8800 19160361.7300 20067161.9000 25392470.1700 16999459.2700 16754563.5100 4995842.2150 15956069.4500 10173258.5800 16075959.8100 16430608.4200 10903133.2900 12231717.0800 11490933.7100 9735697.8190 9111536.5160 11893306.8500 Human Fibrinopeptide A 62390.6145 1914.5851 33564.4806 22879.8639 8996.2202 5397.5250 14293.8144 60063.5444 43751.9667 28477.1689 33244.7377 15836.9086 3829.3673 1911.5936 1913.7363 27807.9094 7830.4353 5333.3921 37133.8070 58458.4055 13395.5446 38319.5329 8949.6720 15236.7855 7689.7667 19021.6734 52075.0505 4835.8433 33559.2012 9832.0195 30359.7865 16448.0738 173402.4809 10997.4821 25527.0377 4446.9071 25877.2629 35090.9357 718129.6831 372273.0449 879187.9614 43112.1272 236712.2038 304076.2112 75198.1377 87856.1536 245533.4555 64879.7965 12951.7849 108960.0843 32021.0415 237428.0122 30596.3378 46098.9993 23010.3340 31082.1324 23238.1432 2714129.7450 509930.6290 1198568.1680 32265.1605 815599.3742 145370.1056 39684.4554 294923.3450 11374.3173 262787.4851 58850.4032 367317.2455 841312.6124 1789588.9070 65427.1502 203971.2172 30786.9958 29480.5423 15154.0331 Human Fibrinopeptide B 22367.4983 19178.9560 13536.5515 5328.6603 30622.1089 2663.1825 6942.7479 2663.2558 12495.0163 26414.0101 27338.3024 5884.3820 57745.7011 37451.9173 32777.8054 30872.4829 29811.4692 10372.0406 19749.7838 36490.7651 50948.5227 23745.2137 35899.0715 22289.0670 8319.6394 15335.7546 13283.4869 20704.7844 6085.4143 24265.0508 27448.9140 13035.8266 48703.0063 20445.7946 35439.9798 30759.0843 12544.7524 29476.3901 92369.7488 49549.5660 55509.1667 40322.8005 6608.1595 45973.1084 12567.0336 9995.4690 7044.2339 23885.5606 71986.7664 115169.1737 74163.7946 20829.4106 18743.5129 66687.1493 23293.8649 7176.8723 17493.5553 452725.3082 175056.6627 60615.8719 33198.8377 30569.3382 13429.9679 2643.2448 25247.4642 23883.3130 410836.3216 94669.8508 77810.2723 425106.5786 42856.0167 2663.1825 27496.3489 60562.6997 21652.3924 2663.1825 Hydroxycotinine 65836.7088 164268.9444 77332.7894 47676.9042 123548.4211 23513.1103 34809.0579 71268.4585 30490256.6700 26338.1029 75325.4255 27749441.6200 40455.0203 9761669.8800 39738.9666 56445.5444 51342.6564 72501.4386 24525.8435 155470.1334 14421.6425 27831.5575 22515.4625 22809.1250 32293.8188 839843.4455 30485.5822 21022103.4200 29384.3480 119643.3139 18372025.0400 42033.9588 1398122.3850 33430.2523 50002.0672 154454.3831 59116.6659 68719.0259 53044.2895 73840.0164 25659.2599 107500.5725 232430.8162 29163.0955 1017011.4160 23258.6699 22506.4113 24591.2136 53188.1037 17903110.4600 49086.8862 932520.0982 51752.9793 43458.0206 96772.8416 80833.6079 109994.6920 58723.4398 29017.2699 84237.8798 55895.4301 23892.2567 24436.3368 906162.8872 28788.9775 21067133.3400 77614.3835 21043.1274 15861498.6800 38075.5499 874761.1183 269711.8684 43945.7819 51374.8386 70132.0251 273087.9809 Hydroxyisovaleroyl carnitine(AcCa(5:0-OH) 7872963.4980 3397930.4280 4770134.7430 5061562.4930 6020370.8010 6709792.3430 6265163.1440 10863032.4700 3299720.6280 3447044.8410 4934026.2980 5168177.3200 5094441.4730 5611871.2800 6715221.7150 4496344.4970 5424342.4190 7937324.7210 4908526.1670 8246402.7180 4965518.5750 5043700.8620 8211619.7100 8837813.0990 7933461.3100 5738741.3190 8258022.9030 4189060.2650 4707656.0120 4392603.5080 9167952.6550 5312629.5660 5450592.9410 7592123.8230 5998020.5880 8288829.3730 5912923.8130 4904212.3090 7855049.4930 3912021.7230 4890764.2730 6607910.9680 6286900.5150 9320671.2590 4390186.0860 10324111.7700 4305458.3210 3268818.5290 4703789.1550 7050394.9850 4854188.6320 5143300.2840 6965557.0030 5079910.8390 5282469.7090 3946847.7500 5158790.8070 19459149.7100 6988422.5620 7818765.3930 10569155.8300 8352467.4450 12267978.2600 4662590.0600 16673825.5600 3959227.9590 8013376.8030 4887522.6630 10648074.2100 7167136.5760 9420184.3050 12111318.7200 7675666.4300 7589991.1150 6176687.3630 6735740.7690 Hypoxanthine 127319118.3000 107866397.2000 70474346.1600 76463340.0200 72941062.5500 109603869.7000 157467695.6000 57842065.8300 121575347.2000 94024386.5500 42850068.2500 61783048.8300 44805001.6700 114688859.1000 77294413.5900 36368360.7200 90927613.3200 54928873.9700 70068137.9500 62212704.0700 58134940.3900 102008604.3000 91488670.4800 76447465.8300 79568846.6200 74635638.6600 29939965.6000 57145267.6900 56110473.6800 58034097.0200 20530261.2200 70117285.6700 112725841.8000 113603929.8000 47061819.8600 91220599.0800 61541091.0400 82810112.7300 62642746.5800 141420990.3000 147994170.2000 99519416.1500 32346616.1000 111360268.2000 114840988.4000 74271859.0900 111816095.3000 84091465.2800 52497576.1600 14739848.0000 84914553.4300 96561801.9300 100280321.1000 49511152.9700 118393415.7000 82644548.4900 37335753.3300 343185729.4000 323292032.2000 270744867.3000 174380171.0000 177051178.3000 169190797.1000 129607757.8000 184587171.5000 177779431.7000 151641335.2000 98287922.5400 104057785.4000 184713875.1000 165481255.3000 175063525.7000 109270599.1000 152534283.9000 193063578.1000 159083589.2000 Icosadienoylcarnitine(AcCa(20:2) 2381494.3020 867996.9068 1347466.2100 1606674.1310 1308763.3110 2015846.3180 1867206.8080 1082569.4180 2103263.8430 2058137.5530 1820770.5320 2091671.5590 1431627.8780 1517752.9390 1011387.3340 902402.1451 1566962.8020 1483952.0650 1817370.5370 2748045.4500 1334999.5710 1795610.3750 1346773.1570 1599395.8080 2698586.9950 1670736.3320 1284388.8660 1092643.5370 2370480.4000 1759578.1000 1394681.2820 1770129.0740 1158712.8410 1765142.2990 1227747.1490 1247440.6170 2044655.1400 2390429.2270 2108201.9980 805255.8495 861669.9739 1889903.9220 1528581.1120 2326249.3460 1880815.1290 1411219.0870 1342794.1080 2034202.2080 1764248.3450 1025329.1820 1447093.1350 944496.6503 1636333.3320 1151984.3580 1472456.5930 2343604.4810 2288624.4630 6278463.9360 2570862.0580 1492086.1960 1914550.3110 1652586.0420 2712907.7450 1847273.2270 1938749.0040 2606683.0170 4085225.0870 4003716.3940 1718567.5220 6766374.8320 1666421.8700 2847329.4050 1655714.1610 2022809.6680 3462984.7140 4638642.9330 Icosatrienoylcarnitine(AcCa(20:3) 550645.4223 1340085.4090 1071885.8780 792674.6442 718736.2604 1479914.9670 634627.2815 456064.9267 918473.4580 774907.3530 844759.2959 1275303.8770 1072486.3080 859600.7675 585360.0984 567870.8605 1291780.9860 1022397.0920 1187353.8560 1705131.7580 1288859.9180 1521851.0700 819667.0037 852916.5658 762567.2377 592703.7831 509414.1071 791480.2720 1316180.2810 489892.7234 922584.5646 494777.0279 622967.9672 1147415.3400 1032254.2100 1176733.5280 1357188.0870 1154629.3880 1423988.1890 1228182.1220 713192.9036 430053.4011 853273.8284 2036532.9030 852767.2563 538241.6131 1062879.6260 1091862.6810 743468.5023 940680.1569 1424866.6320 584154.2679 666367.8434 634193.7405 1410923.2120 865305.2749 1119016.3410 4157060.9220 1515426.7400 1076764.6330 774527.6853 920005.2520 848711.6515 941966.3873 756739.5000 1272133.4170 1254426.3010 1698774.8780 816460.5100 2394904.0330 1154755.1500 2040921.5180 788795.7720 1345776.9660 177455.1040 1161744.1190 Ile-Gln + Leu-Gln 38742.9441 24284.9377 42831.5975 22976.1571 35272.7623 23815.0469 56169.0608 18073.2710 48488.0694 78859.0717 20726.4935 39417.9904 27702.3623 17645.8948 17115.9172 45168.7742 18282.4054 61109.2716 17845.3100 5583.1481 18908.6620 37953.6771 72762.6319 30026.0963 5498.7029 19531.8460 35337.0761 11041.3851 5498.7029 5498.7023 22912.9845 18044.3669 16988.8588 132940.6134 19355.9073 26190.9755 22810.4088 36211.9718 33597.7178 12242.8118 223399.1497 19446.9046 47699.9102 5520.3250 99345.0775 166746.1378 17494.7326 18574.5061 26060.3855 23658.9046 5498.6551 5497.3283 23536.0516 22084.7649 18328.6409 13988.3487 17012.9621 195794.7296 15208.9635 14712.4991 17392.1530 75606.8208 16569.9309 92535.4933 77665.5180 34991.3760 42798.4985 16978.5728 19277.9150 5498.4819 27250.3758 15560.3747 20591.8166 16057.4378 26734.4605 18204.3868 Ile-Gly 991380.4696 433462.4483 855797.8316 3288785.4540 2726356.1080 2274914.8800 4210122.2480 2255878.7570 1790666.2810 1706697.4560 1194002.8830 869635.2654 705868.4224 1488183.1470 1025291.7330 570784.8276 1429473.3800 1401817.6890 1596777.1550 821067.0432 861113.9847 711053.8644 3685799.8940 2833966.6890 2612453.1030 2517807.6170 3194302.7890 2018518.9630 1028679.9750 774223.3304 790469.6589 618723.6093 1152483.6060 1557412.7200 884699.1582 2680632.2840 1689492.0740 1185543.4700 840073.3810 750934.0140 1434081.0070 2253322.2740 1134499.8610 1268076.2220 1804997.4730 1965791.8460 2113086.9930 777941.4005 1381821.5200 827238.3447 628978.4389 1058195.5310 1192296.4600 691365.4667 1327688.6030 1196499.7980 1095146.8890 1681243.8160 797968.3462 949256.5714 2587388.6440 3566643.9360 2056039.1770 3349972.2800 4566221.0380 3258833.4240 1225820.7640 783908.1834 739358.8524 1299764.6370 1484198.0110 1399102.3560 827278.0571 2644468.2190 993707.6142 1958957.3350 Ile-Ile 428306.6274 336017.1203 361668.9854 215815.9619 339135.9986 401854.6466 358274.8830 692563.0064 191432.0933 312052.9684 295755.7724 396947.6043 389687.7774 326806.1304 521071.8790 320963.3472 268790.6953 586455.2857 379491.7090 512452.4513 388109.1707 209479.9109 553726.2305 412048.6716 441274.5952 721128.3147 631206.7174 287678.9292 412812.4959 475407.2931 648170.3488 333615.7889 673233.4310 736875.0626 414359.6483 659312.9914 543032.7929 219925.6468 621069.6256 309492.4017 378168.6676 395672.9177 359016.0220 363637.8203 252098.3562 616920.6230 207592.6602 208656.2046 370097.7221 483719.0596 264288.8161 562578.6155 430593.4290 433843.5457 230966.0633 493404.9806 309263.3223 395840.0180 553651.5268 487185.9002 331762.9427 282544.0143 187714.6027 24733.7963 611666.7923 168411.5668 360068.7541 289558.3164 497719.1177 396768.8992 511536.3483 234255.9738 375225.7361 343957.3343 324333.8590 316834.9864 Ile-Leu + Leu-Ile 4398254.0510 2917844.0180 4086693.3580 4732925.5170 4306922.2480 4238252.7620 5660972.5590 6205693.4970 4064927.5960 3209943.2210 3804111.5270 3444442.3190 3779565.0890 4174117.5780 4463314.8090 3118346.7010 3266593.0660 4150890.1380 3320796.2920 5228310.7510 3191727.5070 2651854.8430 4976210.8810 4190416.5760 4294446.7010 6479315.5500 5523384.6780 4093728.9450 3095464.9380 4096413.2570 4379379.8960 4254013.6370 6107092.9100 7608567.6210 4931687.9910 5252414.5260 5793127.4540 3774918.6800 4729565.3290 3047136.5420 2872630.9980 3655801.2640 3374307.9380 3604815.8180 3907156.5690 4986430.3030 3053353.7140 2730478.0460 2967430.6870 3225969.0860 3437293.6720 4089210.5790 4611643.9000 3513069.4780 3068897.8320 3883634.7850 3570829.4990 10908808.1500 6064361.4750 5085938.9530 4662855.1730 6393752.6480 4192719.8810 6486834.5490 7720587.1420 2859525.4000 3228288.8330 3633721.4600 4499284.7240 4142011.4230 5157143.1720 4829925.5980 3647071.0750 3259495.5350 4266460.1440 3429841.3940 Ile-Phe 912101.9630 534570.6479 660227.1109 625394.6951 8128.9302 647681.7620 615254.0296 901655.3378 563985.7768 503676.7137 561021.1669 676895.9173 641196.6105 694921.5450 776094.8622 556970.7000 524607.9591 854079.5990 579382.8540 1680559.8300 717673.5507 547902.8934 970617.2621 700329.8332 843220.0282 1283381.1010 1148825.7990 584758.0430 8180.9234 1079661.9110 1179720.7430 676525.9659 1573040.9800 1195941.1190 911425.0521 1073220.7590 1001343.2180 552459.2937 1117757.8980 515937.1002 596305.7559 550201.5908 515476.1609 660598.0621 512813.5113 862293.8203 560546.2294 585444.9526 565538.1244 674307.2579 590244.3210 717581.1808 760015.7812 638163.1742 569897.9987 787911.3071 656140.6642 1419907.1330 824303.7734 740650.5268 600619.9555 694471.8736 608002.9839 680116.4934 1092766.1870 424935.0765 594811.7199 486216.0116 867426.8425 605005.3784 912254.9429 762197.6911 539709.9716 547802.9065 671589.5613 566581.4352 Ile-Pro 390917.4708 235158.5416 497280.2866 352325.0353 240151.3392 333993.3378 378671.7923 489651.4946 401297.0516 340400.4672 443469.2586 199382.3546 437363.2599 229925.8174 372346.4236 312381.4002 211154.4668 374389.2248 310823.6778 475916.6006 355551.0459 244542.3732 394641.9734 252468.0805 163786.0806 642289.6920 305485.3021 287247.4350 366580.4741 469297.8252 529050.2595 404359.2435 527037.8874 547493.8008 469287.9988 545091.8796 365340.7140 312558.6520 385563.4620 277496.8432 416425.0219 277100.2279 139393.2959 400293.3627 182395.5832 315284.9721 270659.7743 320909.4506 482020.8978 571125.6911 298945.8568 308095.7546 427981.4939 510702.3825 215823.1685 235691.1876 268425.8421 921721.5672 532622.4067 454630.0513 441293.8072 433631.3790 386543.8484 287493.2942 418213.2278 219479.5063 277655.0713 262313.4790 421644.2735 292506.0967 271462.4562 326752.3982 357395.8715 166305.9735 316505.1010 258326.2480 Ile-Val 1140656.7230 565719.2901 936199.8054 789638.6280 785913.9278 998435.1787 1092045.8530 996976.4819 814084.9370 704452.6089 929681.0028 641067.2953 739148.1940 654500.4796 757551.7097 810351.9823 782175.9664 815104.7008 761871.5212 1204824.4580 814699.1777 871325.9018 930844.4760 702095.9950 729250.4779 1211140.1670 1123660.4680 887071.3912 812396.8310 984761.3332 1251017.7490 826095.1666 1153162.1640 1548290.2280 874158.4507 1072236.7080 890188.8245 783100.3492 1111160.5170 757455.8467 951418.3993 622045.2314 624151.7479 1033994.3030 719027.3065 895013.7755 875849.5035 815534.9914 833697.2818 1054272.8250 797700.3506 825206.2476 889457.1497 1117951.3760 676402.0804 839138.9729 790210.0755 1560893.5750 899637.8267 1067094.7540 856571.2819 919279.5629 851784.3989 761178.4209 934942.0333 612155.4182 1023730.9490 1045895.3910 901149.9898 784493.4928 743774.7469 770379.8466 668199.3889 715596.2990 706291.2408 530802.9423 Indole-3-carboxaldehyde 4599652.2700 3496365.4080 3636139.6680 1637914.6500 2141889.0910 2435182.9700 2611220.8440 4790003.2310 3386982.4640 1279293.2520 3586234.2900 5723557.1690 4322686.4620 2473303.1310 4728486.3070 2884129.2630 7211783.1070 5133804.7490 4048128.6820 5044477.1900 4813117.6540 2560230.7880 2727523.1850 3029028.3260 2836657.3030 1978870.4090 3310260.7400 3740118.5150 1794974.7080 3559662.7080 4818241.4400 4836652.5420 2304303.4820 2474702.6510 2988992.7120 5488465.2410 3903365.7110 3892565.6420 6521993.4490 5311607.7650 4679371.0790 1702522.0960 2457585.4460 3453861.0040 2397357.3390 4508069.0260 6595813.5550 2052866.2170 6542426.6430 5251820.4350 4542027.1890 1767304.2290 4465369.4490 4398048.2750 6765192.0300 4802493.2860 4686319.9290 6508944.8040 5484293.0870 5995951.6850 2285971.5980 1871362.2940 3244185.5900 1732311.1520 5669062.2190 2868232.8290 2864452.7030 4270207.5110 6822696.2520 6141982.1460 3724106.3010 4036655.2590 3304082.7430 4092021.6080 6264625.9980 4618213.6820 Indole-3-methyl acetate 297212.9011 191276.1992 180657.0756 196447.3669 249921.2606 260808.9384 133279.1769 418031.9652 175831.5605 203902.9351 343582.7492 341343.3106 217204.2458 161255.0601 381867.2852 230404.2612 432803.7842 354068.4434 292987.1644 391064.9840 316061.1769 266718.6349 338262.2461 327431.5939 473397.3647 190094.7805 382886.5955 230240.7659 364467.1912 292882.9746 401453.4993 414012.1239 240153.5736 387885.5593 202717.5619 453336.7247 264596.9465 225742.6807 269255.2701 539715.3062 102497.4159 120618.6452 162030.1320 296286.1850 202123.7902 334950.2435 146068.4385 211780.9279 355952.8196 337562.0917 249868.6697 282546.8565 420944.1122 192396.6710 305394.7558 171860.8141 167920.5186 647311.0964 459024.1755 453846.5157 321723.8321 314223.7854 371175.5955 275186.8571 596007.0076 91609.2268 356079.3640 331760.7406 478328.0012 537874.5954 295774.3564 624196.4011 289532.4373 530622.3641 287766.5452 366506.5883 Indole-3-propionic acid 5473373.5940 11657807.4900 36808218.1900 11755899.2400 14673883.5900 14918424.4800 42570482.3500 12440782.2000 21533798.4100 9340677.5190 14928513.6200 32828909.5800 15603975.0500 79255631.3600 19374756.3700 14118169.1000 133961.5549 11770611.7500 14703533.0800 2556270.8160 11535803.3600 16030717.0800 7052676.9410 5171008.4370 6731536.8300 67717693.8800 3808863.3080 15151411.9400 5222889.5490 11259473.6800 8189175.3570 10822046.4500 59667033.0600 17434899.5400 12248020.6400 476338.8343 17197337.1100 14267707.0000 3611906.4520 13147816.0600 26298439.6500 13267852.6600 8471623.4970 8566287.9240 90054088.6600 4095643.7450 15258715.6600 2824111.7150 12252457.7100 8617746.4260 12091971.6100 62804213.1300 6571164.9570 12737742.6400 606971.3327 14533462.9100 13886841.4000 3499921.4660 14170069.2200 26068952.5500 10962803.0200 7280333.3650 7586982.8370 83029304.7800 4351861.2040 11803602.8500 2807474.7210 10634317.4300 10138369.9300 12701314.8500 70907024.9600 6846453.5550 15335210.0300 644363.2718 12361739.8700 10523736.9300 Indoleacetic acid 48325577.2800 35927886.0300 24222990.5800 26866714.4100 25469926.5700 39642493.9800 49033411.9900 67325254.9900 18711086.2700 29974386.1300 38503706.2800 35420106.1900 47231716.6700 24817731.1300 48171247.2000 32976183.0800 76643764.4800 51624017.6400 31960707.8100 59100951.2900 55205265.2400 26757396.6900 37134334.7100 49655916.3000 66113307.4000 31641585.2600 61716985.2700 33891692.1700 46631781.7600 34411397.4000 34533497.8200 60916254.8800 29341377.3300 67528404.6400 32504279.8900 86761974.8000 43468482.8200 29145195.8800 40214849.1000 73495312.1200 28749573.8600 25569639.0400 35885479.7300 50925504.0000 29926652.3200 52681451.7100 28503358.2200 37027688.2700 37490006.1600 29755209.8100 54859145.0900 29500275.2700 55214767.3600 29818080.1900 73303404.5100 44819881.0000 31354693.0700 46155484.3100 64828970.6900 34244423.4000 26421293.2100 35585215.7400 56619834.8000 26550839.2000 59191133.5500 22236665.6200 41199307.6800 34569670.1700 33748228.8400 58316895.8200 34890785.5400 55555896.3000 29889421.3800 74099430.5600 44393586.2300 30335892.8500 Indolelactic acid 24964222.4800 19034753.4400 23020095.5900 27996849.7400 13192452.6800 20555000.0900 14454973.9400 39134830.5500 21839423.4700 16614049.7200 25135555.0600 25880750.5600 26625799.7300 19252972.8900 39795523.3300 15143853.2200 28105970.7900 36940326.3900 23548712.7000 32291635.7200 22440037.3100 28322867.6500 33825698.5800 13882180.6300 23415978.3200 14314061.5300 28686227.4000 21587004.0500 17343871.4100 26026130.6100 24790479.8500 27365255.0100 18013534.4200 38557542.1700 20343584.7700 31699569.5400 30437284.9200 23803110.5100 25383158.8500 21039559.9100 24566329.2200 25322790.2300 13958586.9400 22014867.6800 14988815.4800 29190299.1600 22383912.1800 16657844.3900 26985734.6800 22592043.8400 26840617.8200 20680995.1300 40517876.0800 21130702.5100 28369233.0700 32069000.3800 23335706.5800 42285541.0700 26828898.3200 37915453.6100 33348572.4500 15356091.6100 24719802.3800 16304222.5600 34386263.1800 17512533.3200 19617059.4900 28971898.0200 28512145.0100 33307814.8800 23861499.7100 45075906.3700 24059055.1500 30624714.5800 31743992.2300 27040256.9000 Isobutyrylcarnitine(AcCa(iso4:0) 152680434.8000 101435856.0000 71769589.1200 69603283.9200 51945322.6900 149829284.1000 62597766.4300 196920131.7000 61688329.2900 59065944.2000 101384666.8000 119868595.3000 134959643.3000 76360398.1600 163529573.1000 111454901.7000 120164792.9000 234682283.8000 79066017.7900 146395004.3000 151665468.2000 110888953.7000 209704244.1000 128047071.0000 198515662.9000 72758996.2100 126153298.1000 50310937.1400 66435173.7700 69543981.2100 252637836.3000 194482848.1000 105506595.9000 146247529.2000 151065257.4000 181926690.9000 130851230.2000 67127053.3800 148377181.9000 169830931.7000 128223217.2000 120082648.9000 118833997.1000 217200214.5000 54460457.4500 146204209.8000 58600216.0900 56949498.5200 93295530.8500 225387773.0000 159383110.5000 95288233.9700 157695387.8000 138814280.1000 163740604.4000 122399986.4000 93626051.3500 398348697.4000 267790739.8000 279889043.6000 255922645.0000 184033543.6000 294476067.2000 59760332.5000 228402067.8000 44324956.1600 115021878.6000 97291964.7500 393998272.8000 345773854.9000 177013716.8000 220911675.1000 191658491.4000 192820431.1000 152568454.4000 111408399.9000 Isobutyrylglycine 7816840.9590 5563499.9150 7279871.8370 5731960.3850 6390454.3490 5285737.0450 6214191.9290 5610773.7740 6604088.6080 7505345.5350 3750490.6960 6239508.9940 4720558.4560 6008461.2680 4481702.3160 5361229.0040 6252061.5120 5315510.6350 6309357.1280 11071755.8800 5748444.0450 4534843.9290 5041501.2940 6414877.0470 5706912.8720 12553895.8300 8101582.0740 6726868.2630 4644086.8960 6392581.8260 5726868.6930 6062670.1880 8384027.1280 6431781.4700 4952481.1780 5120148.5550 4521560.7140 7263249.6140 5650568.5350 4329355.6490 6084439.9640 11442576.7400 7116896.0070 5491244.4870 7178671.9760 5680595.4650 4080772.5930 4513644.1440 4942212.4100 5368206.1180 5670773.2180 5812036.0590 5687207.6430 4161253.9360 5912816.2820 4983811.0980 5918744.0080 6434664.3290 5100340.5060 4903677.2810 6976129.7020 4792953.5190 4997704.3280 8352575.8520 6392759.3940 6265001.3020 5041674.6510 5773614.0010 7756434.4800 5697190.3480 4125453.8970 4806695.2710 4432567.3530 6200210.0030 5195793.9370 8508113.4150 Isovalerylcarnitine(AcCa(iso5:0) 35786867.0900 20290840.2100 23811117.8600 20230115.2000 18266678.0400 27764249.6600 22379251.6000 72043268.0800 23461595.7300 19186190.4100 28634134.5000 36344841.4500 28446938.8900 22601255.1800 38093013.6400 25160696.9900 26286430.4900 47716839.3600 26825648.7500 32051078.4600 38194907.7600 30857751.5700 45133405.1000 36588408.6300 41408697.5900 23930064.5600 52059653.2500 10882383.3800 23556881.3800 26677233.1800 48767730.9100 34699804.0700 26508415.1800 38441333.4900 34174151.5000 29936720.2200 22143218.5400 21110808.2700 28929838.4300 35953860.1500 32134823.8900 32074766.5900 32465992.2600 51702741.3100 28741587.6400 67546403.5400 15910193.0100 21790254.1200 36777443.3000 52366577.6200 27308646.5800 28230805.3400 34087751.0800 37419956.9500 28041047.4000 21893070.0900 29324640.0900 68520411.1000 44955851.7800 55434109.8200 60073167.1300 55936687.1500 69924033.3600 27399811.5400 90272199.1400 14839548.6900 37831980.4900 33466583.2500 91412458.6500 51191365.8100 43377123.4000 48467987.3500 44157725.4300 34131597.0700 30880005.5500 36613266.6300 Kynurenic acid 5888153.6950 3922752.2540 4596876.5480 4242587.9510 4986558.9720 4580718.2330 5789610.5680 16173400.0900 3830780.5990 3885547.2420 4835336.4720 6879091.1850 5728341.6700 5105635.8090 5555519.1680 3989856.9640 7208027.9400 6542814.1880 4974246.1450 9064044.3810 4979214.2790 7959723.6530 5804743.1500 6256316.1580 5748302.6230 4426573.6630 6818329.3610 3614662.0010 4421478.3200 5084550.7480 7344266.6120 7987451.6820 5414283.3500 5593874.8540 6861057.9810 9356802.1480 6439392.8980 6572834.0270 5738282.3770 4824252.9640 5832237.0200 4618246.3400 5577347.4230 6530637.6560 4214461.0950 10300345.7800 4056218.6230 3869767.5190 4376513.0290 7397527.9720 5985958.8840 6601902.8410 4997356.9330 6071076.6830 6092929.5500 5389172.0870 5721855.5350 28439299.6300 11157671.3400 18544624.9800 9764423.7920 12089374.6300 8006181.0550 5164758.3670 25250667.9400 4190265.5000 13155198.4800 7723921.8960 20691049.9100 19551654.9900 13156068.7400 15170395.2800 12716240.5200 11783753.8000 7417696.3350 16956444.8500 L-Acetylcarnitine(AcCa(2:0) 810184276.2000 1395278424.0000 1582103319.0000 1028281798.0000 1332692533.0000 1391552850.0000 1727794299.0000 1018721822.0000 1255610624.0000 966619790.7000 1326891565.0000 1566659486.0000 1464254914.0000 1929993203.0000 1889107224.0000 1053410073.0000 1333657260.0000 2074180965.0000 1512728794.0000 2449792535.0000 980590706.7000 1427742736.0000 1111443491.0000 1368953227.0000 1603518426.0000 1600820662.0000 1718990477.0000 837155044.7000 2161273902.0000 1266320662.0000 1597777081.0000 1571147802.0000 1484273832.0000 1713770831.0000 1171953982.0000 1143107897.0000 1906783205.0000 1369479641.0000 1380962909.0000 691685787.2000 802175396.5000 1283146928.0000 1273699140.0000 1297992175.0000 1538793638.0000 1853051719.0000 891175285.1000 1304962537.0000 1045740414.0000 998522017.7000 1049795660.0000 1102658769.0000 1499103281.0000 924082840.7000 1546153472.0000 1021843024.0000 1102838420.0000 3375251600.0000 1770500225.0000 2678731634.0000 2283470894.0000 1607400833.0000 3150042412.0000 2338813509.0000 3050515862.0000 2084293720.0000 2516946545.0000 2931655546.0000 3099986513.0000 2515404304.0000 2242838978.0000 2986006409.0000 2066237189.0000 2973655418.0000 2331373954.0000 4260854529.0000 L-Arginine 60635867.1300 95972625.3400 126592862.9000 153966153.6000 151407925.6000 130632936.3000 163455255.6000 127737269.0000 105590745.0000 116195780.1000 126688069.6000 75181525.4600 100503388.9000 100346344.2000 118965391.8000 104523063.2000 88114555.5600 67718536.9300 109311248.0000 87067614.7800 120145406.0000 53653474.8600 186253678.8000 116035325.2000 101257622.4000 215271549.8000 119057274.4000 80928691.5500 161707215.0000 158142042.9000 87830197.3700 87549055.8600 178056095.0000 90982372.0000 114968016.0000 101952853.0000 80926719.5100 60485987.4400 73976837.4600 54156011.1600 132323651.4000 156562374.1000 106385338.7000 110344671.0000 155132993.3000 108587531.7000 121098474.6000 114674625.1000 112795132.1000 101761244.5000 80727015.8900 121252333.5000 94326200.6300 107922714.5000 110792113.6000 100533158.1000 99553156.0800 48043575.2600 57408923.9500 67343578.3600 120752798.1000 77593887.8300 66221518.7000 103503789.4000 69385564.2800 111704098.3000 93132506.8400 80607170.2000 86206120.1100 59438656.6700 76012549.6900 72583813.7500 67702235.7700 50887086.5700 74513915.3800 71987750.7100 L-Asparagine 7466374.6030 5897299.0820 12928310.2700 11238887.3200 10508354.1200 10842029.7900 13166382.1800 12630128.0800 7911197.5560 10357535.0700 12664293.4000 7464845.9740 11477321.4100 8438262.9090 9106571.4660 9572704.6010 10723227.5500 8153845.4290 8999035.8750 9495261.7460 10177462.0200 7218649.9510 14011399.6500 11278217.6900 8974164.7790 16728658.2500 11592786.9600 8871132.6640 10103209.6700 11646427.5000 8040987.7390 11783941.4200 9623090.8580 6790188.8740 9623394.7310 13182932.7000 9418669.2210 8074506.4790 10959121.5700 6962931.9410 9233982.9560 8022926.5670 8500164.7590 9431821.7730 10987928.3900 11822155.2400 8720563.3330 9652830.2490 11868616.6500 10491839.5300 8237258.5810 9207890.0190 8418028.4130 10311736.4900 8084753.1710 7540273.4740 9479949.7150 8873646.2260 7812237.9570 6958026.9460 8760514.0430 7557379.6790 6471645.0680 8750891.4000 9539991.5100 6252911.9220 8591291.0990 7256313.7280 5967521.6460 10134877.4300 6442218.6980 6308331.5950 8833301.1070 7229526.8170 6397331.5270 6386265.4090 L-Aspartic acid 17914065.9700 12542733.1100 12825436.9900 11239513.6600 12500699.5200 13327015.0600 14278103.0700 12048249.9400 12990515.6900 13863634.8800 11655957.1400 13540332.4800 13138817.1400 11807530.1800 10774881.1100 9733084.4060 13468579.0600 11887085.4800 12181468.9200 17735132.3600 14757054.4500 13099652.9300 13256807.0300 13678998.0300 13692602.8500 14534617.1400 12228183.9800 16038243.2600 11303301.8100 14869655.9300 13814767.1400 14524204.9500 18581643.9800 19811314.0100 12253482.5800 17988374.5600 12417373.0300 15352531.4400 15717014.7500 13387334.7500 16138874.2400 18998476.1400 18882631.8900 12684574.1400 11113281.0400 10110336.8500 13782144.4700 10415217.1700 13698242.3500 14217112.4700 21616896.0600 12754971.7000 14365853.2200 12715256.1000 13157342.3500 14723066.3800 11870769.3800 17345420.5500 14663315.0900 14934426.2700 15959900.1000 14690807.3000 13203173.3700 14176964.7000 13422295.1900 16839603.8600 13849685.7500 15858960.9400 14588873.0700 17708261.3100 15462621.3300 13395285.6100 15193043.6200 16401811.2700 13803222.4300 12557994.2800 L-Carnitine 4183503995.0000 2805864654.0000 3156271654.0000 2958948143.0000 2812685776.0000 3399858486.0000 3423473791.0000 3765712797.0000 2746504301.0000 3261554729.0000 2636346675.0000 3498831162.0000 3506844271.0000 2485612526.0000 3287665506.0000 2443870919.0000 3015884124.0000 3959433642.0000 3343158132.0000 3546428359.0000 2986103342.0000 3350273901.0000 3081872266.0000 3169686949.0000 3553210420.0000 3443603038.0000 3751610828.0000 3126567767.0000 3075932663.0000 2722720591.0000 4065271630.0000 3470588133.0000 2700230440.0000 3613360281.0000 2684410256.0000 3538467948.0000 3690771524.0000 3888672827.0000 3500180396.0000 3115835336.0000 3351775154.0000 3089251931.0000 3131045283.0000 3268008027.0000 3308072303.0000 3878858989.0000 2876898448.0000 3000850983.0000 2858432074.0000 3806884589.0000 3481857037.0000 2496817599.0000 3406633122.0000 2401637566.0000 3315624135.0000 3869093939.0000 3679315415.0000 3338732246.0000 2559606848.0000 3024070941.0000 2775901441.0000 3454192695.0000 2987068053.0000 3317668625.0000 3574030553.0000 2650601198.0000 2778528467.0000 2383277534.0000 3480431957.0000 3425393748.0000 2565582246.0000 3379090491.0000 2561852386.0000 2902963928.0000 3303646163.0000 2852169234.0000 L-Cystine 1652179.6190 1367691.3660 2218798.4970 1141871.5100 1312681.3590 3385950.1130 2166027.6610 1555864.1760 1399893.9020 1256638.1700 1556927.4860 2378349.3720 1155251.1640 681555.4509 665736.7696 1605228.2880 1567813.8770 1132582.9650 1495572.5290 2842188.6880 1257454.4830 2104275.3290 1545550.3650 1284539.6890 2114701.5950 1168312.1130 678422.1935 1000906.5960 1532911.6590 1236200.9050 2265862.3700 2513738.1560 1021149.6610 2365096.6460 2657357.4180 1818527.5740 3577968.3980 1501109.4280 1922044.6000 613354.4212 2208187.5740 1731508.2070 1788856.6820 933175.4355 771873.0253 2089215.8680 1134349.5620 2400557.5690 301677.9446 1878679.8070 1851647.8450 977321.5352 1707568.0150 1829963.3200 2796591.8470 1880138.7220 2192848.9370 899539.5609 1663674.1070 2693867.4220 1623918.6940 1535040.1920 652284.5698 1821686.7690 1572410.1990 1971811.6460 2073102.9620 1409882.3930 2861662.6320 2225466.6150 1984030.8810 1085422.0930 1427584.7690 3290722.7490 2497465.2450 3216639.8790 Leu-Gly 482516.4654 283372.7499 514159.3245 422164.4849 723420.9421 317812.2087 339557.4658 626234.0111 378384.5444 1388611.0490 528400.5303 313101.3001 373963.0517 3602.6910 482625.0301 233166.3689 304406.1541 415384.1015 370008.2921 453770.2376 700623.5281 247780.6149 826487.6311 541095.2975 459583.7866 480018.8516 2598963.3530 469975.1482 372293.3122 198551.8337 419860.8793 412433.9441 627134.6790 935793.9841 632214.6112 708179.4454 428099.1821 445557.8806 407303.4572 329293.0824 3715.7601 413351.0874 435625.2202 300681.8394 310472.8117 410731.2348 464367.4242 295360.1151 1124283.9930 372135.1793 276043.0160 311461.4776 454597.7324 369993.9355 212025.3767 392699.5785 440458.2312 1475236.7250 608209.3436 766894.9170 623961.2212 1135084.7380 541468.6393 678033.3223 852365.4768 523903.5939 379130.3109 402671.2665 322610.7311 9066.5407 582285.4547 703702.7573 462015.1862 233763.3139 469687.4253 469192.1918 Leu-Leu 885767.5858 580311.8503 944476.0695 553775.1997 783267.7198 664183.4974 1006928.1420 1025757.6360 675496.6343 636648.5220 568864.4566 462243.3422 406106.8748 759035.4888 874229.6861 677612.0157 340601.9600 959512.2701 554065.7348 1021895.3210 580483.1199 864252.1123 545262.3323 662993.0283 570293.5073 767722.0122 981110.7743 916387.5352 315584.2282 865086.9728 1188192.6600 611144.1030 1279671.3000 4022015.4720 1393633.1430 875650.9024 1314176.4160 972133.6516 1870479.1220 648831.5138 876858.6717 566793.9210 661676.3615 954198.2258 640548.3218 834619.2629 663205.3875 521628.2232 1751382.3410 849322.1253 464915.1481 706562.7004 1217177.3580 959820.5554 367824.1203 657128.1224 522511.1524 3029806.8830 1173999.8570 1585040.2480 758737.6700 1253524.1400 803178.3264 1252229.1500 1315989.0190 494661.8208 769278.3627 1558535.3250 1038894.7800 761741.5641 902200.4798 1650384.3590 1338705.6450 558763.2768 1047171.8600 885053.9418 Leu-Phe 1417321.4930 1037093.2340 1197553.9500 1772910.9910 1644161.0600 1828351.2090 2192074.9920 2277675.4630 1383578.6990 1036911.3660 1250174.4320 1287231.5420 1289126.0840 1612468.0150 1482949.4260 1069102.4690 1585576.8810 1551325.6490 1325487.2000 1966026.7070 1114387.0930 907399.3665 1969506.6700 1648752.1150 2101107.9580 2501242.4340 2326454.8200 1418538.7990 1144663.6330 1238754.8080 1333014.1630 1183757.9770 1635166.2610 1941837.3230 1349285.8480 2007231.9780 1667785.1010 1333268.7090 1536179.2590 1112919.0450 1096675.5820 1532605.5100 1177657.5650 1522779.2640 1727704.2320 2069950.2150 1225312.1770 947054.6420 1247869.5020 1286309.5460 1168731.2800 1633393.3550 1611234.8550 1532598.3960 1477506.5940 1489413.8120 1288821.5120 2467152.5490 1525358.4940 1271239.4450 1630312.5960 1885361.9580 1727683.0850 2810630.7330 3244995.9590 1330394.9680 1179630.5490 1239131.8140 1659028.2920 1527768.2450 1904701.4140 1628686.5220 668038.6623 1869677.3960 1359751.9240 1535096.3400 Leu-Pro 26520.4645 124360.1344 284017.3215 15630.6172 307086.2131 149862.9770 27721.2454 41598.5969 216453.5334 81468.9377 183029.4011 75387.7435 64929.2777 49844.6804 345568.9832 133259.7955 159654.4374 396259.1167 229380.7558 245684.3884 200831.3884 164807.8604 234388.6266 185645.5357 237214.6387 362738.6718 65683.4125 210853.2297 130260.0072 214010.5409 26265.5709 78214.0443 579448.8530 993036.3453 409453.4152 489672.9360 318635.7276 196011.7399 307180.0930 34144.4114 38007.1726 155266.3024 22802.9487 47727.3670 24096.9119 154223.4418 25551.3147 227118.7789 214503.1943 252503.4464 17872.7097 248474.6485 231334.0829 234509.4263 188625.8640 245880.7224 24067.0164 107401.5741 523604.1179 188229.1373 284320.8293 541171.6878 23373.2293 288609.1959 356926.1102 17135.0618 332149.9149 315408.5221 86078.9830 20067.5310 166007.3277 267780.3201 157637.0070 80136.9389 15262.3128 35903.1276 L-Glutamic acid 58611829.5900 42508966.6200 49913497.7000 33513866.5800 39233707.8100 40865249.4200 57774448.3000 39687031.5300 46849700.6400 58496271.2600 39209835.8500 38930195.6100 35055299.6200 40453646.7400 51217923.7300 35629069.2600 34816803.3100 29024801.8600 30356138.0600 70551045.3600 35970502.2900 44682605.3800 38300628.9500 36082389.8000 40007956.9600 50797155.2200 40132439.4500 38650384.4000 36265214.3900 60214157.1100 46295501.7000 44369259.2100 80454756.3600 87493645.4500 56598513.5700 45509807.4100 44707708.1900 45855666.8900 65898559.4900 38694962.6900 60307094.8500 56928656.8300 50975575.5300 40906217.6600 42008363.6600 37650392.3400 37014111.2000 29484146.0800 49694258.5100 43306386.4000 46496650.9100 52006266.9900 56956423.7800 40535360.7200 41975629.0300 39252397.5100 30646247.7600 97708291.6100 51536240.4600 64052364.4300 48421065.1800 54757636.2700 55975345.3400 52186977.2600 54442737.1600 52503286.3200 47832329.1100 76401126.4700 50705061.0800 42787350.4700 52279696.4100 63802419.7100 52900204.8200 38133430.9300 45256279.2700 38256434.6400 L-Glutamine 60698238.3500 71947983.7500 79328863.4000 84736793.3600 88639533.5800 80805234.5200 91997520.7300 68015660.9400 80268529.0500 71463528.5900 77942968.4100 77437535.8500 77210163.1400 71322215.5600 70796278.0700 73252361.2800 61868361.4900 62285244.8800 89361392.7400 62508612.8500 78338194.5400 63427541.3000 73540547.4100 73705195.2900 66287515.5000 77461356.8600 60038547.3200 71924546.1900 85035149.7800 67657056.4900 64802392.9100 66455447.1900 69297832.4600 61797956.8600 77830442.6800 63520345.6300 76513508.0600 72175612.7500 57070220.3700 61345699.9800 73126803.0400 72459521.2300 77260132.2900 83724727.0100 81038099.7900 72902418.7400 82829765.3300 69342756.0800 68485651.5700 66882764.0000 73319834.2600 66956416.2400 64319640.7900 77138828.0400 69743407.2900 86711747.2700 88083527.0400 52908066.6500 66794150.2600 62322540.5300 61948405.2600 65864358.9500 59827882.1900 65991275.8900 61436128.2700 79581536.5900 71287192.2500 64369490.6000 68158886.3500 71276780.3400 60351037.6900 68406388.3600 71251181.9500 48925737.5200 68608006.1600 82409864.2100 L-Histidine 88588912.4700 30268140.8200 128611225.7000 63857497.6800 51305324.9100 77756015.1300 106333826.7000 112027687.6000 35173740.2800 120955111.8000 101454717.7000 77731396.8800 74633258.7500 101032409.8000 109767199.9000 82941772.2400 91421777.0300 96932073.9300 63568419.4600 96424935.1100 34513950.1300 132274572.2000 73734131.6000 50299603.0900 88601293.0100 102554905.5000 121792136.0000 32581327.4800 148545706.5000 106506180.2000 87448572.3400 78803236.1900 111098015.3000 125050913.1000 97966937.2800 115994694.8000 113646458.5000 73319134.2400 97100996.2400 26720766.4000 153719183.2000 74031120.8400 51296672.2200 93095744.6200 106717044.4000 132638421.6000 33726995.6400 142652606.9000 117500505.8000 92375385.6300 85204957.7600 113308268.1000 127943887.7000 97842221.5800 114440271.2000 121743801.9000 77269437.7400 99483570.1900 28471545.5000 136217004.0000 67447029.2500 48180861.4600 80934314.5000 99110156.0900 139340530.0000 38028254.5700 146870255.4000 103239522.5000 85250196.0800 83063739.9800 106066729.8000 122164638.1000 99919417.6100 97265497.6200 110265511.2000 72319024.2800 Linoleamide 5860688.5200 5779947.8980 21194694.1700 28164247.8000 16646306.4700 6606389.8340 7881734.9760 6815326.6390 7075550.3010 6397995.9360 7287786.4710 11860050.1500 10629835.2500 6398757.4050 12069333.2600 7125424.0000 6868620.4600 6669821.2660 7588584.5340 6116818.4150 7901199.8300 8312105.4550 10033231.0800 6211288.4260 7415577.4700 5369430.4930 5275930.5320 6488474.9730 44800526.1800 21332208.4700 8317140.6370 6408567.6760 5579188.6470 10986550.8600 7408441.8200 8401957.7520 7487050.7290 6216039.8700 19496240.7800 7733266.1200 9372386.1150 5041122.7560 7140498.5310 7875181.1570 6666727.4880 8091603.9070 8809060.0250 6316699.4330 8492132.4010 106676271.5000 12463896.7300 7263739.8320 7307031.8450 8113590.6890 6771163.4560 7916726.6040 8114516.8270 7263964.3800 6233379.9970 9993930.1230 7526977.4320 106938729.6000 13241736.5200 4623616.4060 8568244.3280 7516911.6760 8449043.0600 7700750.0860 6748295.4460 9842707.3150 6858707.4000 7604717.0890 6941865.1570 49130053.1400 29159133.8200 6689893.8980 Linolenylcarnitine(AcCa(18:3) 4628228.5100 1185430.8870 1564833.1630 1733950.2710 2103844.5540 2660424.1650 1529988.7090 883734.7858 824853.4682 889077.5253 3918609.2050 973982.3731 9182965.2820 4134355.5540 2920942.0500 230964.7115 1225152.5930 1261507.3960 4875374.9130 4583011.1250 694187.6066 4538388.7580 668210.6166 624209.3103 945220.0298 600850.2691 374572.6804 762208.7391 2378535.0390 470613.6109 1569471.8500 587179.7771 849120.3783 5654617.1240 1164006.6590 589365.9805 4598312.8420 2363014.4250 4673237.5140 1076443.9900 1557880.1360 610235.9355 1416554.6670 5638977.5470 946030.0243 1347074.2120 6996968.2910 1394303.8690 1100696.3500 1456932.1440 8150556.5100 722421.1484 1781022.0050 2365043.1750 883995.6816 7730073.9920 5315229.5310 23555384.4100 2634699.0870 5494717.4740 948927.0265 9324520.5480 2965431.8380 705097.9816 6529287.5190 8348561.4190 4108441.5240 3621424.5550 3630772.7560 24649990.3000 6469569.8010 13906601.5400 5427025.4370 1311035.7430 4306528.7900 11602201.9500 Linoleoylethanolamide 1288615.3660 871581.6674 688442.8948 885069.2445 468814.9148 785144.1158 1046334.2120 903018.4122 728224.3819 709895.0893 823911.1233 706494.7860 828093.9076 1075957.5350 956139.3572 609628.5369 570020.3926 888582.0600 1264362.3370 1242597.2280 507282.6476 1020374.1400 811955.8757 428784.6571 948687.3887 501320.6729 516263.9936 493412.3421 917684.7753 871850.6514 656652.6136 941047.7638 822945.9369 1145288.2170 899492.4599 671508.9584 1331305.5280 946359.0718 1233688.9060 978198.0553 724714.3945 773886.0807 750870.9089 1065121.7540 625773.6208 831399.2877 974860.4375 908115.1333 622576.0359 696598.0119 913366.8694 992192.2748 817109.8911 952094.5476 732061.5863 1363317.9710 1068398.6550 1628533.8430 917107.3583 931728.1419 1003668.9190 1234264.7680 1160787.8360 828755.9016 1317585.3300 1252179.9080 1022750.6690 1279937.6450 938627.0624 1568383.1800 1540580.1010 1325262.9590 1454629.1460 912904.7515 1013502.4560 1824403.5520 Linoleylcarnitine(AcCa(18:2) 131282776.9000 63487136.6300 79217145.2200 85103562.5800 85272201.9400 88213403.9000 72266879.5600 56236156.2000 92999903.4400 76124051.8700 97648110.8600 108065083.1000 117056727.1000 119072240.3000 77158118.3900 54789787.1500 63968953.5700 74914522.0900 104270151.6000 204190513.5000 68141656.7200 117776651.0000 57544317.8900 83910004.3700 89551469.3900 45055461.8500 45997273.9100 75742121.4700 124327160.4000 69676709.9400 76078403.7600 92369976.5200 67268216.6900 102245853.6000 55049164.1900 48392828.4500 112596160.2000 98086079.6100 130005346.9000 69678655.5000 61964100.3400 66775602.4200 68948338.3600 105640606.4000 71340711.1300 69463179.1200 110168896.6000 106652155.6000 68888001.0300 72072604.7500 111539361.3000 60940615.7500 91438019.2200 61211429.9900 79189452.1800 128894570.6000 95724154.3800 355860182.4000 147032876.6000 110959771.6000 90216432.5900 121208894.2000 129421998.7000 71782734.4800 132948156.8000 185156884.7000 208373869.4000 157141674.7000 141172316.0000 338146720.1000 117332321.2000 185740480.7000 92418091.8100 88743262.3000 161910011.0000 213629766.8000 L-Isoleucine 6180736404.0000 5170293638.0000 8613600622.0000 7202547975.0000 7006486106.0000 7605153892.0000 8937650000.0000 7860887128.0000 5283086477.0000 7130641597.0000 7903949721.0000 6325866376.0000 7509641873.0000 6809091965.0000 7577444286.0000 7277131996.0000 6908334601.0000 8031750776.0000 6148879800.0000 8862197994.0000 7666097427.0000 6027047484.0000 8112620236.0000 6275279968.0000 6784375582.0000 8596011091.0000 6812813112.0000 4709617744.0000 8025847767.0000 8128987605.0000 7603764003.0000 7590791879.0000 8740186216.0000 7138269846.0000 6935987337.0000 8180531633.0000 6466743294.0000 4937569366.0000 6994372245.0000 4480072362.0000 8320067352.0000 7232752043.0000 6635771958.0000 8100003697.0000 7019391488.0000 7513237320.0000 5450325417.0000 5977329861.0000 7503252451.0000 8490048208.0000 6068678130.0000 7396522598.0000 6991378137.0000 8196460875.0000 6864762311.0000 5615837549.0000 6225143764.0000 5324205512.0000 4646041796.0000 5416242861.0000 7309807085.0000 5854761316.0000 5852923625.0000 5006469501.0000 5635969765.0000 4138929491.0000 5398808493.0000 5217898233.0000 6714902945.0000 6977191493.0000 4758848727.0000 5047713181.0000 5702034964.0000 4866653187.0000 4774568260.0000 5201658961.0000 L-Kynurenine 60455462.2600 56989247.4400 64846618.2400 96345907.7700 65496388.2200 84933170.5100 98477107.5700 189855996.6000 72353098.8300 71627467.8400 84243514.0900 96168786.5600 105767713.1000 94542524.3800 117587272.6000 72209883.4000 99428988.2000 117469856.0000 128432005.9000 75618408.2700 66106404.6200 52535303.4800 102255709.6000 73599600.9900 99749918.2900 73038903.0000 130996594.1000 79346600.0100 74543815.8400 73644988.5500 106808212.1000 102528352.5000 92312972.0400 123761690.4000 95664776.2000 115927498.5000 90095281.9200 151901919.8000 94646848.2700 65779988.3400 82724086.5200 101701052.6000 77511402.1300 114821995.2000 99887763.9700 151738230.1000 76005424.1200 83917932.8600 86144130.5900 107054963.0000 104273539.8000 105421961.0000 144258568.5000 74505104.0300 99946843.9900 102586904.8000 169110069.7000 104457008.5000 84863156.6700 100583855.1000 115258580.2000 76349737.8000 109495987.0000 82117099.8600 156483012.9000 63146589.3500 100443558.9000 73117491.2000 140870278.6000 118790919.8000 133892851.3000 139539609.7000 105029540.6000 110185855.4000 106312557.7000 148628641.5000 L-Leucine 6166504542.0000 5158382063.0000 8593768121.0000 7185988420.0000 6987208817.0000 7618990012.0000 8917071386.0000 7842787722.0000 5284098780.0000 7114279476.0000 7885751166.0000 6312934300.0000 7492351233.0000 6800906054.0000 7560061613.0000 7260376664.0000 6888666538.0000 8013181210.0000 6128122983.0000 8841793106.0000 7648447862.0000 6013170677.0000 8093941223.0000 6261161181.0000 6757173893.0000 8576219088.0000 6797126868.0000 4698774021.0000 8005198883.0000 8110270908.0000 7586359017.0000 7573445168.0000 8720062255.0000 7123432243.0000 6920124463.0000 8161696313.0000 6450909459.0000 4926200794.0000 6978364740.0000 4469757158.0000 8300910746.0000 7227108730.0000 6620651464.0000 8081344023.0000 7003063324.0000 7495967092.0000 5437725337.0000 5964792627.0000 7485976493.0000 8470500181.0000 6058595296.0000 7379492375.0000 7002108252.0000 8177588823.0000 6848860569.0000 5600236395.0000 6209211918.0000 5311946722.0000 4635344454.0000 5404199440.0000 7292696684.0000 5841281084.0000 5839447482.0000 4994941701.0000 5622977453.0000 4129399757.0000 5386382697.0000 5205896084.0000 6700373215.0000 6961126760.0000 4747891641.0000 5036091006.0000 5677075399.0000 4855447895.0000 4763574990.0000 5189682329.0000 L-Lysine 28148140.3700 30198722.6400 69414162.3500 49651711.1600 40319346.1000 54044791.9100 60833432.0200 49958645.8200 36840533.1200 44699580.8700 53527346.6200 39419271.9600 49296588.4000 41101220.3800 47698028.4100 53882937.7600 39773457.6500 36340643.4500 38033659.3700 40268210.6800 46941569.9600 28664192.0500 62121733.1400 34890571.1000 37035372.3800 67721238.0000 49279813.1600 32427940.9200 38056174.3700 61915159.6300 48148926.1400 46749924.2700 61137081.1800 34862442.5800 49404725.4600 53616111.2800 26049245.4100 26207135.3900 44167978.4100 19969908.4400 51436017.7800 57144072.6200 39178337.4500 49998957.6700 55059432.8900 52345871.5300 31891746.7900 37411069.8200 48665049.4200 59670350.7200 45759677.6400 52780230.5300 52249968.9200 59641740.2500 37089502.2900 37141921.0000 45988440.7300 29704698.4200 25162207.0800 33188899.5200 49762594.2500 28811260.1200 25239941.2200 35633281.2700 34616280.2500 30171014.2300 33431441.5200 32528605.4800 33097542.6400 37600132.5800 28830537.0000 26468688.9500 37902573.8800 23878857.1300 27854440.3900 29107398.1400 L-Methionine 330669218.6000 301153504.6000 456508283.9000 378509835.6000 354770342.8000 396230045.4000 462167207.6000 595243670.3000 333515450.3000 439887909.3000 454785393.4000 289160462.8000 430861693.2000 299060828.7000 436330012.8000 363920799.3000 341472336.8000 320726276.5000 383685382.8000 462325609.1000 461842971.8000 213472151.4000 508907214.1000 313463174.9000 293251724.8000 531615124.3000 353171932.5000 187034502.4000 423722249.5000 457494290.2000 334569228.9000 335966876.2000 354252809.7000 276087369.8000 290020809.2000 391663044.3000 358413499.9000 237820763.3000 349273902.4000 239690163.5000 459124659.3000 394308546.8000 317429070.3000 426887490.4000 377433253.6000 352421062.3000 310134792.8000 325172439.3000 416276131.2000 441369739.4000 326621218.4000 361886570.9000 338635008.8000 381011239.1000 296224623.4000 386081584.0000 348926435.1000 383339079.6000 389980745.0000 339502963.4000 379879282.4000 314740365.6000 253940122.2000 292703920.9000 339711911.6000 216438627.3000 405242526.0000 305626105.8000 307812230.3000 477715245.6000 261358223.2000 279910393.7000 306209098.3000 213052886.4000 286498250.7000 241664690.8000 L-Phenylalanine 6876886954.0000 4577553447.0000 5726784218.0000 5268636360.0000 4487411531.0000 5658649108.0000 5612464939.0000 6055352956.0000 4860178580.0000 5069568165.0000 5604087249.0000 5172934273.0000 5641389857.0000 5232299666.0000 5965333365.0000 4997772504.0000 4961261006.0000 5740740101.0000 4851852058.0000 8248898049.0000 5663296908.0000 4408272682.0000 6261861982.0000 4717444498.0000 5522647762.0000 5088498910.0000 5171075292.0000 3877295698.0000 5035647232.0000 5690306555.0000 5032216949.0000 5722772670.0000 5533695914.0000 4904684843.0000 5293115996.0000 5811681487.0000 5243064756.0000 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1088289741.0000 1028735426.0000 1649224270.0000 1467925134.0000 869428728.3000 1047232943.0000 1343902259.0000 1142621235.0000 1064823381.0000 1107829125.0000 1252910396.0000 910643632.4000 999343895.8000 1041555665.0000 1126319733.0000 883352088.2000 1104369138.0000 1268190202.0000 1209459143.0000 1137734060.0000 1249204327.0000 1762216737.0000 1282418261.0000 818516833.1000 1138417495.0000 1517152844.0000 1311610973.0000 845665446.5000 1371233858.0000 1467778081.0000 1171618580.0000 1161916213.0000 1227953285.0000 1593328011.0000 833608132.8000 1056263189.0000 850985639.3000 1193901399.0000 1041779130.0000 993211113.3000 1390875377.0000 1078193565.0000 677570932.1000 975785049.1000 1138653464.0000 1252627793.0000 888685271.3000 957591812.7000 1166228377.0000 939447795.8000 783497032.6000 1041262891.0000 1465224126.0000 L-Serine 2037497.2280 2227047.4880 2979231.4230 3254045.4150 3220834.8410 2592403.3410 3585400.3770 2374951.3250 2893149.4270 3034218.6390 2917401.9110 2347245.2200 2125793.4440 1819180.6990 1790467.1360 2334797.9960 2143660.1950 1741100.3330 2692363.8810 1943981.6880 2340940.4000 1619101.3520 2981548.0350 2708828.0000 2097011.2940 4063110.7870 2324314.6060 1951038.2380 2193175.6480 2524551.5980 1770384.7860 2151611.6610 2516861.5990 2229543.2580 2347802.7450 1938230.5300 1964744.6850 2016211.9240 1926435.9250 2290791.9790 1977066.9460 2468671.2620 2909165.9220 2467450.7550 2672173.6200 2468764.5030 2703735.7170 2233205.7460 2483142.8780 2544484.0750 1791951.6140 1657351.4050 2023534.2460 2633508.3060 1777308.6560 2080748.4420 2470260.7610 2231401.1570 2377917.7420 1678947.8050 2128657.1660 2230518.7300 1852774.4580 2735907.3680 2057934.0120 2450067.2280 2128998.1710 2375988.5130 2026115.6810 2080772.3460 1757297.3570 1723574.7900 1984490.6790 1337334.0310 1988042.4970 2258315.1920 L-Threonine 17149376.8300 19606298.5200 22316769.8200 25537178.9400 22325710.3800 23935125.7400 29988541.9200 28430302.9500 18995064.6300 20151291.3800 28525519.7700 13656449.7300 17811150.0700 14968936.5000 19589423.2600 22895830.3400 15543032.5300 16011933.6700 22897852.0000 19913275.2900 24328731.1800 15393607.8400 27008915.4300 20399747.9600 20424583.5800 32787144.0500 20665686.2200 16464104.8500 24219790.3400 24866089.9900 20753954.6000 16041874.6200 19149430.3600 15304061.3500 21154085.7800 16305916.5600 18182967.8000 16906568.3100 18038766.3400 24183889.0300 21623942.9100 23267543.1100 19031733.7500 21557759.5300 37968809.0800 19555081.3700 23022512.4900 19593725.2500 22337085.2900 21924465.4500 17381804.8500 20053694.2100 19782603.4000 27077984.1300 16684569.6200 19451624.0300 24139884.6300 17258611.6500 23465533.5400 15674567.9500 20054691.3700 18567867.2200 14478089.3300 26254606.1400 15862467.3900 19785994.1300 18059771.7400 20003786.4600 20253246.7400 15780030.6500 15886585.7000 15817962.2900 18995977.6400 11996759.7900 17769003.9200 20783191.2600 L-Tryptophan 2822434103.0000 2621765830.0000 3277356049.0000 2491072218.0000 2661173238.0000 3303878252.0000 3622007208.0000 3910005725.0000 2752424931.0000 3049693451.0000 3373566796.0000 3394787349.0000 3279468621.0000 2986189549.0000 3442974665.0000 2969266871.0000 3411377704.0000 3902266141.0000 3182430071.0000 3316416016.0000 3352626061.0000 2173264799.0000 2794572525.0000 2563644156.0000 3264711195.0000 3401665369.0000 3181350372.0000 2202851957.0000 3272359259.0000 3211385148.0000 3302894773.0000 3009530729.0000 2922179004.0000 3165375460.0000 2934499194.0000 3564498426.0000 3636913932.0000 3063984323.0000 3455709595.0000 2542199951.0000 3554304637.0000 2671141774.0000 2522217008.0000 3574573412.0000 3330252711.0000 3385761692.0000 2581534909.0000 3001084146.0000 3307376653.0000 3893509319.0000 3093697645.0000 2846360415.0000 3402072934.0000 4041396603.0000 3340418141.0000 3582693687.0000 3316366877.0000 3864951682.0000 3497636618.0000 3389319890.0000 2848427343.0000 2557372270.0000 3155231924.0000 2645392940.0000 3227867048.0000 2178442535.0000 3546949475.0000 2950675719.0000 3598323165.0000 3872498404.0000 2764570919.0000 2848447591.0000 3179750378.0000 3354265698.0000 3870373417.0000 3555064538.0000 L-Tyrosine 2018855360.0000 1318473067.0000 2210404723.0000 1999249711.0000 1783536550.0000 2174839505.0000 2651192563.0000 2125133026.0000 1580958644.0000 2044109208.0000 1721868374.0000 1501039305.0000 1835897251.0000 1939513466.0000 2171725009.0000 2092389580.0000 1767530181.0000 1732491546.0000 1882776383.0000 2334553733.0000 1751276955.0000 1622944939.0000 2125047217.0000 1722307005.0000 1649226801.0000 2157334660.0000 1919291669.0000 1302021420.0000 2107534222.0000 1791130191.0000 1682610736.0000 1752977054.0000 2094559876.0000 2066567064.0000 1808290894.0000 1732019423.0000 1739146609.0000 1666493302.0000 2173679836.0000 1188673897.0000 2212332153.0000 2115844855.0000 1866720731.0000 1949797969.0000 2294180708.0000 1800027365.0000 1577953300.0000 1778437359.0000 2192595064.0000 2140162739.0000 1492819788.0000 2330288032.0000 2061145611.0000 2284475623.0000 1687870205.0000 1626465764.0000 1883718673.0000 2479360843.0000 1619633909.0000 2152575670.0000 2515756420.0000 2269667549.0000 2003316185.0000 2007306196.0000 2021289777.0000 1406298702.0000 2241259630.0000 1891791415.0000 2111657425.0000 1965329733.0000 2076561287.0000 1970477987.0000 2264486687.0000 1686379609.0000 1804469424.0000 2115107710.0000 Lysine-d4 7860807.6900 7648137.6620 8633828.0180 8365764.1580 7690274.9490 7653344.2150 7487694.3160 8611643.3730 7992173.1040 7515709.1420 8840622.7160 8801163.9590 8405725.4010 8581824.3110 8696548.5500 7070417.1150 8002265.6420 8575523.6850 8339272.7900 7654715.4550 7982416.2830 8567268.3370 7993052.9340 8093691.6000 7574920.5980 8548235.6240 8084326.7600 8174178.1100 8476196.3850 8821037.3700 8096957.3820 8042966.1940 7930917.7770 7879117.3330 7743277.6120 8479499.0820 8561039.9890 8000254.2210 8248234.0780 8161542.1770 8016323.9290 8507472.2990 7773923.6920 7981710.0560 8444914.1050 8692481.0500 8575054.5850 7743213.3200 9579055.4550 8936990.3720 8908440.7220 8471634.7560 8337840.0950 8314853.0360 7877498.8490 8296656.0610 8970674.8760 8637064.7990 8176983.6810 7778254.2300 8574439.6270 8051974.4840 8094147.3900 7731926.8120 8058648.1870 8267662.3890 8556112.9520 8634275.7290 8361665.1490 8459564.0950 8470532.5860 9156728.1830 8205543.9250 7693425.4440 8407941.4900 7498196.5020 LysoPC(0:0/14:0) 3910340.2110 9028074.9190 7189711.8710 3990466.8000 8130461.0620 5875751.0340 6106868.9600 10751287.5700 10036250.8900 3270687.7560 7973559.9140 7476946.6480 4549923.9720 7825255.5180 8586719.6810 9503311.9480 5087362.7930 4105828.7890 6013510.3700 5430569.4350 8786054.7350 8427021.4950 5559870.8980 7076258.6530 6191516.4090 9926276.3120 9913414.8410 6201142.8650 4633292.9090 10776909.2400 9066919.0350 5361839.0640 8769728.3750 10356161.8700 7998212.7890 7652087.1240 6229769.2940 5305051.5280 6387862.4330 7937127.3030 7596378.4560 5053573.2270 5951307.6500 5339181.5270 10476464.4100 7012327.0300 6214961.5800 4164376.9690 8051605.8230 6130251.3930 4662666.5330 6047692.7060 11487119.5300 7195680.5830 10763703.3900 7409147.1130 5044334.7160 5853892.9590 8282283.1130 7762653.2910 4007293.4220 4018053.2800 6368152.7110 9037341.1860 7284361.4910 6067290.5210 3791702.8890 8745399.3350 10413787.1400 4177716.1670 5842711.0640 10990008.8700 5708164.2420 8376811.8490 6849331.6450 6328520.0990 LysoPC(0:0/16:0) 649558564.3000 955572073.3000 772163588.8000 735845815.0000 864608114.6000 859908681.9000 750636813.1000 737845587.0000 956423838.1000 732156833.4000 991352228.2000 868037800.0000 689053362.1000 920833422.7000 736279590.0000 1004738106.0000 672968352.9000 647917113.9000 868202047.7000 700621325.0000 879306472.6000 663247614.2000 829000816.9000 762056420.2000 869644710.8000 792657063.7000 714019485.4000 697731185.7000 829842361.7000 866192966.2000 699844921.9000 688432755.5000 700591810.0000 691067794.5000 875556779.7000 601458587.9000 888362069.3000 719699966.5000 838944231.9000 948811778.0000 800373165.2000 720785391.8000 738947107.2000 917049003.3000 1003507413.0000 789385934.4000 715291540.4000 934346471.1000 905496389.0000 763067040.3000 697461938.3000 735656430.1000 803578681.3000 941171405.6000 1057988481.0000 1150905876.0000 769057315.6000 726648145.0000 809110468.7000 603993152.2000 546574167.4000 538896383.3000 750248879.7000 678558159.0000 605606742.0000 783493178.6000 727911179.0000 955099169.4000 992822550.7000 690895041.1000 632303417.0000 779903568.8000 633260879.0000 652990941.6000 867863405.4000 880231358.9000 LysoPC(0:0/16:1) 11544124.4700 17591271.3700 9827376.9210 13311646.1200 13223972.3100 13524343.7900 14740553.4400 16195581.2500 15032201.8300 9933236.5550 27950732.6300 12456279.6800 12159429.8300 15184893.0600 14016185.5200 19349772.5200 13015564.8700 13265032.2100 13898989.9700 12681110.7200 14494128.9200 11874386.6500 15530843.7900 12204624.4000 858.1321 15429973.2800 14101509.6800 11763885.8000 13783288.6500 21740102.6700 14790737.8800 10464713.5300 9873400.2610 17478530.9800 18111410.0000 15251914.4300 15273296.9100 10844470.1100 14213573.3600 18238950.4300 10617117.5400 12373006.3000 11802326.4900 14487942.8800 21273173.1600 15280645.5100 13352996.8800 5640.8826 19502247.2700 13800960.6200 11936215.0500 9129691.1330 21516207.2300 17468254.2600 23718490.4300 17678872.2500 13884207.0300 13465262.0600 14182802.4700 9074589.3780 12338203.3700 9646886.5830 13265682.6200 12217021.8000 12946032.3800 12613961.8600 8917678.2470 19311322.9700 23354970.4500 8090075.5600 10967414.4100 20311900.4500 9068058.9720 12994680.6000 12620626.1100 14695525.2300 LysoPC(0:0/18:1) 133533618.1000 167265203.0000 81670568.6500 125215545.5000 129939144.4000 115919758.0000 86859357.4300 115625291.3000 142680554.8000 110739099.8000 161939757.0000 122512071.9000 95954213.7100 118711268.5000 101796762.6000 142447870.8000 102311330.4000 106417576.3000 139214888.6000 106162974.8000 140808667.5000 94688606.0800 132151446.9000 104189636.1000 127544571.0000 110105765.7000 104014612.9000 96503417.2900 133912353.8000 126485476.1000 103588157.1000 81696055.9300 98137572.3200 84890539.6600 120778115.3000 111508951.3000 108574480.0000 92972597.1400 103431298.8000 183220489.5000 85186182.7500 108629829.4000 86804189.1200 120536700.1000 135068567.6000 118167045.3000 124053955.0000 151421944.6000 129481786.3000 106103582.7000 12398709.1400 95804374.4000 97645137.9100 129824518.8000 154842211.8000 124478261.6000 115456726.2000 97361290.4900 142795280.6000 72085369.0300 97264660.4600 89635056.7000 124476669.8000 78510525.2500 79645119.6300 125486054.9000 111594917.4000 128386119.2000 152338401.6000 85471704.7500 89718943.2300 96675733.6900 80028923.4800 104315004.9000 103068211.1000 119240943.5000 LysoPC(0:0/18:2) 525113896.4000 727421363.0000 386616521.8000 462727657.2000 415536371.4000 390057479.4000 295009469.1000 743600149.7000 876559888.6000 700734545.1000 871698207.6000 687710436.0000 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11565020.7600 8698520.3430 8012177.2990 LysoPC(22:5n3/0:0)+LysoPC(0:0/22:5n6) 30223066.1000 23906000.6800 25196907.7400 21967213.5600 11633702.2200 15626634.8100 12834359.7400 25839864.2000 42021730.3900 26080978.3500 26445861.5300 36639958.6700 20810880.6800 14426916.6800 22715782.3400 38023299.6200 26284121.6600 19755376.8600 22358834.8700 25487936.3900 28355192.4600 30921858.1400 20726787.2100 16985367.4500 19289696.1600 15352734.6800 20719085.2900 24292222.1200 20471720.0400 23113660.8700 28113759.3300 26614230.5400 15977297.6700 34522529.7600 37557091.8000 32052512.7400 24320442.5600 18929987.3700 31788416.9200 28521308.9400 23562492.3200 23069147.0000 15375048.0200 20031416.5500 17086759.4000 23870590.0900 28253686.3100 26513994.3900 29581024.9300 37227682.4700 31236979.3600 17473634.9000 36580336.7700 43659188.1700 36031361.5600 31080397.9000 20993394.1400 34006705.2500 27476295.8100 20487570.6900 20375146.3200 13150601.5400 17689544.1400 12173251.7300 18461274.8300 24630850.1900 23606511.1300 24797173.7400 26825020.2600 27878136.7700 11708680.0400 32192647.7000 28212041.0600 29037123.7200 27114226.2600 17151301.1800 LysoPC(22:6/0:0) 122190580.9000 168333193.9000 143939531.8000 152801509.2000 103019912.8000 106281281.0000 126830014.0000 189334731.7000 242728259.0000 160373725.9000 180444137.7000 210871728.3000 118723093.6000 145698625.1000 136659256.8000 193554463.1000 140459516.3000 139524546.9000 152698498.4000 124431480.5000 182793030.6000 162500311.4000 146423325.1000 145626072.5000 129961633.0000 185359044.2000 172767625.6000 132959679.2000 164683068.5000 158412864.1000 166000272.8000 138163982.2000 140539696.4000 167968001.7000 185819576.9000 161447219.8000 163305410.2000 125699650.6000 122911767.0000 176800202.6000 126711221.0000 169036013.4000 136397383.8000 153988104.0000 219400310.7000 213882672.5000 183138506.4000 207489149.4000 185955617.5000 196220143.3000 149335383.7000 145210117.7000 188819430.8000 201035888.6000 195382663.2000 220892236.4000 133509008.4000 126385784.4000 179654116.2000 112555009.3000 161583556.3000 101499726.2000 140169939.6000 128978807.1000 176105637.6000 156038023.8000 145961592.3000 156185391.4000 193617714.5000 122241076.8000 96592452.8400 165300667.4000 125013428.4000 159312364.9000 197335466.3000 119622292.7000 LysoPE(0:0/16:0) 6097241.6500 9090980.5830 5110594.7840 6075917.0630 5868040.8250 6979477.5090 4960383.7050 7612975.2350 8908890.0120 6802882.8490 7844259.4940 6939709.7590 5542835.1780 7500740.1340 4749722.4060 8335455.5860 3580124.3140 4770284.7010 6782100.7470 6540245.2140 9527099.1810 6325889.2560 7162892.0960 4854945.2580 7900357.5490 8699579.7870 9333535.9770 8330854.3680 7259154.9470 130170.9346 8144812.2970 7820087.7320 7945361.4270 6212418.3010 8430152.7130 5537874.8090 6942219.1970 5752119.1210 6546162.2560 9444366.4770 5714323.3230 5144566.3810 5159302.3220 6106945.9730 8932810.3670 7217366.2760 6259773.8520 7121189.7380 7508882.4440 6594252.6290 5787523.2710 5251925.6500 5632849.0010 8795822.5590 5363442.7400 7353348.5800 6475747.1930 5078811.9440 6914685.4850 3787800.0740 5667808.7900 4162573.9430 5677994.8500 5739994.8870 5326377.2020 6539061.7680 5689597.1760 6948308.9430 6943537.0670 6155054.5220 4667107.1370 4696946.0740 6077657.4260 3798845.6790 5956064.7610 5975591.1410 LysoPE(0:0/18:1) 13104501.7300 12300640.5600 5959483.3530 7381179.9270 6643292.1260 6609508.8850 4643681.4990 12449522.3100 9871589.7110 13550395.7500 13089965.0600 8403068.9410 5460722.4920 5942957.2230 8166035.6130 13401886.2400 6834785.7770 10386536.2900 14397243.9600 9932107.7300 14985620.2800 11141696.6300 14903376.3400 11769401.2300 13265297.1100 11886606.3300 13147035.5100 8195475.4040 13879846.9600 13628839.1800 14463457.4500 12765921.9500 14799020.7300 8439455.9360 14858096.0700 9731250.2040 10515380.7000 6767960.8840 6838732.8770 20326165.0100 6823281.0370 7834312.3920 7321709.1960 9511815.3680 6901755.3220 6777640.1030 6998749.0570 11312264.7700 12760669.7500 11445260.7200 5739103.4500 12409448.5900 6292828.6170 10781250.1300 8179254.0100 7727789.8770 6669276.6370 8002202.5210 10701989.9000 7304999.8390 13062026.7700 8315949.2240 11028828.6700 6445941.1590 7790821.0020 5942979.4030 11366222.2900 13010274.8300 12505661.2000 7819736.1460 9382369.2010 7296871.3010 8310823.6840 8158221.4550 7296906.9820 8112726.2050 LysoPE(0:0/18:2) 38561203.2100 42914328.8100 23211196.5500 27833400.5500 27969409.0000 24986242.7400 18429286.8700 52295538.7300 57644470.3100 54761165.9500 53295712.3600 41957922.4200 30469606.2300 33455051.9000 26055402.4100 52255175.7600 26256385.6700 35672949.7100 53927318.9400 38092567.4100 64378980.4400 37644208.2500 44414841.6700 54414689.5100 43262285.2700 43519110.8400 44445883.4800 52858279.2200 52099309.0000 67728571.9600 68191682.8300 61483685.5900 63931238.9200 33283410.3300 47174704.4600 35450224.1100 42951148.4300 30365507.5000 29429337.7000 60927212.1700 23505275.3800 29655452.0300 27447390.1700 35029751.8600 27759505.9200 25717380.3500 38766908.8500 38235739.2500 63249506.1000 46611352.5100 28677421.7000 51023440.8400 26209668.1100 41803293.4100 30626487.2200 36486650.4000 31510362.6300 32066417.3700 39016550.1100 27432517.3000 43877861.1600 35290011.6800 35602818.9500 20975320.5100 26880788.9700 32600163.1900 48642436.4100 59654372.9900 48278214.3400 38326801.3100 36038393.6800 26805887.6300 30945708.9800 28977937.0500 37653147.1300 39901642.0400 LysoPE(0:0/20:3) 2231467.7640 1886269.7420 1123503.9780 1511920.1130 1476866.4690 1114214.3260 847256.7197 1544263.0000 885715.5810 1238754.4050 2178228.6500 1042444.5740 1006693.7370 995359.3141 900871.4342 1794051.6410 1677850.8610 621873.1642 1312137.8170 2406632.6120 1537695.0950 3061794.4120 2081380.1870 271041.0534 1772809.1550 14694.3785 1117289.9840 983116.8076 1331780.4270 1377543.4460 1908238.8160 1124823.2340 1646382.3660 2709196.4480 2358885.5060 2305662.1850 1055008.4040 758769.6542 1030859.9530 2022210.8120 1398908.3840 288074.1055 975250.9056 1352453.5480 889044.9381 1430737.1560 1048809.9730 1137334.7210 2437186.1010 1387183.0850 1240315.3090 393021.0760 1298544.0640 1994254.2810 2581993.8860 1434620.2540 993518.4497 1907597.2270 1642317.6490 1649104.6810 1454567.4380 1520855.8430 977630.2244 95625.4915 1349275.0040 1271798.4510 1117981.5480 2628853.6240 1832534.1920 2095871.2340 1303544.4630 1935402.7310 2098521.4920 1995459.4830 567850.3236 1213027.0130 LysoPE(0:0/20:4) 67924445.8700 43310818.9900 43157446.8000 45128856.6700 37831967.5200 42182861.8200 38205169.1600 73302453.2100 66972907.6800 63232958.0700 47721561.1300 61991072.1000 38027330.0200 44659563.3300 37137362.0100 55044462.4600 57258656.0800 36317960.8400 38720528.0700 76879759.5300 55164413.0900 75970933.1500 66162143.7900 45835178.8600 72387209.6100 48193965.9400 59351484.2700 30650553.5400 50255466.0600 47865809.7300 65336525.8900 51333586.3900 61731343.1600 78883990.2200 72427455.7600 53895225.6800 54086444.2800 29682873.2600 64718997.8700 57639033.0800 44220428.0600 54916433.2200 45986252.8500 58665501.7900 38728128.8800 48196036.2100 34542628.3500 46194163.1200 51641924.9800 56565401.2600 34935167.5500 47920352.1400 45180405.5200 56866777.8100 62522383.0400 51107569.2900 29982145.1100 93645349.3700 47972613.5900 46173876.0700 56876325.8400 41309458.0400 54445862.6400 34304693.2800 52279520.8300 40722559.5900 88845840.0700 87199484.7700 64306538.3600 66632632.3100 48820161.8400 62117533.3700 55199852.7000 58364165.7700 45514176.6500 37812924.7300 LysoPE(0:0/22:5n3) 3023071.0920 1728998.8820 2256155.5030 1391553.5750 1073321.8430 1568467.4110 1403774.7580 2515788.2950 3125348.8720 2246978.3540 1991831.4400 2544525.1300 1656394.2100 1693767.9500 1525918.1900 2321879.1690 2060254.1720 1396426.3160 1872004.0610 3935255.8840 1994147.3830 3998951.9930 1946583.3050 1146301.3520 2521103.1720 1518165.1610 2059897.0340 1264511.0080 1613905.0340 1982376.3570 2278210.2470 2038745.2740 2184012.2190 3449516.1480 3407333.6650 1863428.0940 2197215.5210 1629819.7700 3278490.3300 1994704.6750 2140637.5990 1710169.8790 1272872.8600 2012284.6400 1182303.5980 1923997.5140 1640353.1280 1624461.8840 2175101.4350 2117635.6140 1730186.9140 1525627.1940 2023474.9430 2778020.6230 2459128.9780 2117045.9450 1760448.7500 4956975.0250 1807927.0800 2216547.2980 1614137.1640 1107590.0950 1830762.6710 1035412.4850 2143841.0800 2047466.2780 3029530.9680 4289750.4360 2337559.8720 3548678.7840 1761718.4080 2705506.9400 2787213.5560 2370471.4460 1992901.2690 2256051.2990 LysoPE(0:0/22:5n6)+LysoPE(22:5n3/0:0) 4868895.7640 5251026.6630 5251705.6780 4117920.8470 2232355.3930 3328838.4750 2537950.1410 5193229.7590 9972116.2280 5803908.2410 5613261.3020 6095535.2980 4367678.5470 5185213.5510 4255112.9910 8405628.9210 3712353.6580 4270799.1920 4486277.9440 7728846.7520 6362543.0540 6849205.7510 2935496.7480 1952942.9360 3591141.8120 3394080.7730 3286510.1210 4128966.2060 4578399.8240 5747493.8370 5961269.1750 4663240.0990 4154486.1410 5195987.6100 6136335.1340 3380588.6680 4116731.9240 4754627.6650 5243761.4480 4975271.7290 3574238.7550 3892016.8030 2065847.9070 4242264.9500 3366932.7630 3409599.2130 6338576.2360 4154437.3480 6820886.7460 6447543.4510 4553021.6700 4218726.4200 6288649.9850 8090117.6840 4681703.0130 4855819.3860 4341344.8770 4146113.8400 5074852.1590 3083298.6760 4669007.6700 2280259.1330 3856247.3310 2876512.1650 2951863.2810 5472278.4550 5310425.1400 5658388.7070 4812067.8610 4980390.0730 3360581.6730 5598326.3080 8726537.5400 5681281.4480 5561255.5370 5734505.4520 LysoPE(0:0/22:6) 19117800.4300 18112776.8800 17352401.2800 15966965.3000 12220482.5600 14275314.7400 14644131.5600 23894121.9400 27639593.5200 20587720.4000 15891187.8500 22767213.6100 13343630.6600 21954046.3700 13152546.5300 19119047.9300 16315136.0700 11714468.9400 17115232.4700 24853708.7300 21646394.9700 29376934.7800 17975185.7900 11922759.8700 18683701.3600 15871240.7100 18933417.9500 10696671.6500 16934095.9800 14645998.7300 18370356.4300 13476310.8400 20542936.1900 22853711.7900 21672006.1400 13560544.5300 19099077.1100 14935651.9300 17275078.0200 19753920.4200 15448010.4500 16954398.9200 13094226.3900 17530838.9500 16824023.7200 20605029.5700 14940287.4400 15481735.8900 18281472.6300 17777304.7200 12004360.6800 18013548.7000 16691484.0500 20542828.4700 19008910.3300 20888655.6600 15018591.2600 23146166.5300 17459768.9500 15151446.7800 16503134.6600 11573027.5900 15701164.8600 13220188.3100 18198373.5400 18553759.3000 28241152.0700 27855960.6700 19664754.7900 21010078.8900 18598286.8200 20751227.8000 18831733.9500 18786742.9500 19063540.1400 19857193.8200 LysoPE(16:0/0:0) 65999888.5800 89349178.4000 62084543.7500 64145872.9200 62205283.2300 69469982.3000 53781378.5300 69622392.6500 74755263.7600 58128052.9300 83529106.1500 60357888.8500 58199649.5200 72839477.2500 47020591.8300 86121747.0200 34247980.0100 39403925.0200 72836568.6700 66954917.1200 87418271.3800 70475335.2100 79265197.8000 45675884.6800 88152107.3700 77408051.7500 79375320.3100 69104967.4500 73103799.4300 69772454.8700 72329948.7700 59478242.5900 63413612.2000 58307556.0200 92843222.2700 51905894.8200 76538042.8800 61121049.3000 59454787.9800 94003367.5200 64651502.8000 57096962.8300 50303705.2800 74474868.7100 89699672.1200 79132724.5100 71768481.6900 75332832.9700 67473689.5500 60208303.5500 63583803.5500 54843520.0800 52927853.6000 95127481.1300 53293226.4300 81932110.1800 72199684.0600 42957198.8200 53044607.5900 43339613.4200 54341490.4200 43954198.6600 60677334.4200 49427636.6700 57565345.8600 65835215.6000 61557714.9500 66895361.8500 71553338.3700 55921103.6700 56319327.2900 53870384.5200 62404906.3200 40040803.5300 57073184.0700 57478821.2100 LysoPE(16:0p/0:0) 30741868.5500 19187145.6100 18959386.9500 22095369.1500 19846428.5000 21936834.0900 16595845.6600 28039282.7200 24403039.4000 20669949.8700 22691763.9300 25490526.0000 14634239.1400 16223747.8700 17176776.4200 22951169.2200 21450768.9500 11427107.9700 14695513.0200 25873462.0000 21447486.4900 25161981.2100 18570790.7900 14654572.3700 22875301.2300 14741443.1200 19284347.8200 15461645.3500 13567896.4800 17089243.3500 25748428.6500 15475785.4000 24713772.2000 33218926.9200 27087023.3100 23193371.3000 22586661.9100 14693237.5800 34336859.4100 32169344.0000 25711930.7500 19683626.3600 17155399.8700 22615740.7700 16994255.4900 19977525.7600 19252985.8300 18271467.4000 21362040.6100 28668186.3200 15970501.6400 21977676.7800 21354565.9900 27175907.0600 28719759.3200 23227195.6700 16882575.6800 45799676.4900 25380283.5000 23218700.4700 17427109.4100 21256801.9800 22486528.1200 16100728.9300 21812224.4400 21393609.0300 20602469.2300 34945286.2500 28898749.3300 19677572.0500 17649785.0100 24976854.9100 20754103.0400 20053263.2500 17760485.8300 13375157.4600 LysoPE(18:0/0:0) 66123498.5900 55455461.4700 43742820.1400 42982168.5600 45670419.1500 54915007.3000 39608443.9000 55056484.9600 76497444.8000 52696783.7000 56422233.0000 60793354.2300 42328008.3800 46890966.6600 29516413.2600 66404452.7300 33044326.1300 27038022.8100 51749497.9200 61569381.1400 54490832.7400 59515258.3700 57561074.0600 36468181.2500 73307216.5700 47026185.4800 55222145.2600 45362702.7100 48131953.4400 48515392.6200 56036214.6500 50545789.8900 52093141.4400 60225876.9700 82136064.1800 39997755.9100 67417242.9700 34598741.7800 64593325.7700 68028249.4100 51709822.7800 42885150.2200 35107777.4300 69700908.9800 56919768.2700 49249837.0200 48638859.1400 52223260.7000 56833450.4200 51724064.3500 47762750.3800 39199360.3400 38273760.6500 79046628.9600 56373023.7900 70424135.7000 48594436.5500 71840618.6000 46852912.4600 38086613.5300 38147821.4400 36581743.5300 50526151.6400 35946931.5000 43611667.1900 57044657.2200 61517656.0500 80082733.3200 59534513.0500 61826737.8500 36171932.8400 49178566.8000 54780658.0000 32897870.8900 50794121.9400 41445389.3800 LysoPE(18:0p/0:0) 23435737.2700 12738106.0800 13460940.6500 14210826.6900 13481627.4900 12705524.2400 11222596.8900 19390824.4800 16586843.0700 13967760.6600 13128715.2400 16570944.4500 11015169.3200 10661100.4800 9775806.5330 14786781.6700 13732235.5300 6772651.6270 10050882.8800 17683726.3700 13176460.6200 18511251.8100 15528850.8200 8725501.3720 15314249.5800 8032920.6390 12686457.2400 8188737.4950 9764666.6190 9448150.4790 14433032.0300 10115676.0700 14075067.0300 21908997.2200 19880805.1100 13526229.5900 16831593.7300 8249254.9910 22278259.5500 20812603.8800 17760370.3800 13841088.5200 11572455.4400 15075851.8800 10992763.6000 13837923.5500 11329626.8000 13625833.2400 12615964.6500 16547994.3700 11644385.3000 11231758.4300 12411753.7800 18916827.0400 20981158.0400 18321001.1100 11303260.8500 30519631.4300 14460077.1000 15795882.8400 10801902.2200 13169077.2600 12922638.4300 8781829.7120 13463775.8400 13854689.3800 16970489.4100 23390694.4100 18124725.9600 16254007.3800 10831165.0700 16744979.6100 13451247.9700 12853010.1200 11775753.8700 8935655.2700 LysoPE(18:1/0:0) 97942431.2300 97136137.6700 40667773.8100 54978614.9700 43936943.8200 47470868.1400 30961187.9800 109965890.1000 85646690.6000 122037536.0000 113018807.7000 68694939.8400 45300312.1000 41877894.5200 67401999.8500 112635877.7000 38045665.6600 98769381.9700 120838677.6000 60205043.8700 139367189.5000 77554563.2600 123761731.2000 91908389.9400 102189358.7000 91297272.0000 108853014.5000 71745979.4600 113359181.6000 128956336.3000 133395028.3000 111661147.4000 125671538.2000 70507816.2100 126046463.8000 78191762.5500 88931104.7600 52537124.0100 40750218.5700 182454842.1000 50785233.9700 56558419.3400 49129137.8000 75919346.4500 54012951.6700 47699332.0800 59300945.6200 94508413.2100 126559390.4000 101769312.8000 46085966.1200 99101295.6500 49498131.0500 90182849.8400 47281660.4100 61742831.0900 52321866.6000 44857122.6500 85352737.8600 59130125.3300 112326629.7000 70252193.9200 86470716.4800 44203815.4000 55407377.5000 41521219.1700 88214549.2000 101431886.4000 100355115.6000 56887713.4600 79310339.5000 54350277.6200 65712662.6300 47570507.4600 58890993.8900 63486889.9700 LysoPE(18:1p/0:0) 12750557.6900 7573198.6700 6558091.1500 7632440.2500 7144993.7590 8058684.2500 6385778.5030 9549359.1780 7133137.5880 7331740.5790 8179007.8190 8214972.4420 5238070.3530 5496863.6890 6519532.4160 8435403.3900 6483311.8810 4200296.0260 5137592.4800 9437260.0440 7880094.7250 9534476.8060 7179472.1220 4831146.0740 8481731.0710 4525751.3940 6005070.6060 4694793.8630 5183539.8750 4938574.4570 9041813.8410 5137337.1560 7499481.6240 11435002.9100 10214452.7700 8039852.5060 7992047.8870 4960003.0800 11984569.9300 13485205.6600 9676101.9060 6745676.3840 6165902.0040 8342773.7210 5844375.7020 7908983.2690 6520162.8610 6822141.7410 7582595.5680 10440596.5600 5937894.7440 6117967.9800 7364453.0070 10177624.2700 9606777.0990 7575394.1960 5867451.6180 16092146.7300 10171204.2300 8776661.3680 6312290.5090 8830020.3400 8353802.9270 4887494.2410 8096087.6090 6872528.9220 7649629.6210 10327383.1500 10820492.4400 6667256.0690 6232792.6100 9930635.0060 8030329.4570 6819887.0180 5567436.5710 4969334.9870 LysoPE(18:2/0:0) 207156204.5000 264344149.7000 125749466.3000 173122993.5000 159453643.0000 153155938.8000 111707090.3000 329146815.2000 332244257.3000 344765786.8000 359906862.6000 245494582.9000 208934947.4000 203537298.9000 167747672.4000 322266084.7000 131815272.1000 240606020.1000 372675992.5000 196208788.6000 402725353.4000 193435962.1000 259028150.6000 339643234.1000 231048711.9000 251535773.2000 280006703.1000 345917939.3000 340328820.4000 450791968.6000 455409285.5000 387894502.5000 390810504.5000 189334123.4000 285220674.2000 205417202.6000 254252438.4000 199595210.5000 133375869.2000 368492634.5000 128028660.0000 171111088.1000 156679803.7000 212630723.0000 175716857.1000 153552447.5000 259806827.2000 269525029.7000 423312782.7000 292398139.7000 196279310.3000 304492876.1000 169444975.8000 270250423.6000 149022625.9000 215599316.2000 209232598.5000 119745793.8000 223673782.7000 138306928.5000 280851136.7000 200546313.8000 219253748.2000 130920193.9000 155469387.7000 194019668.4000 275608063.3000 303876086.8000 285935709.1000 215802917.2000 212543854.3000 146012678.6000 191790037.8000 146897519.1000 242477556.2000 254633579.6000 LysoPE(20:3/0:0) 6767802.4280 10963616.7900 1490896.2780 7891158.1410 5360175.0440 4756912.3480 3365366.3730 2844939.4300 4961413.5460 4743309.1790 11365248.6900 3343237.2250 5080868.5020 7305636.6290 5703752.4130 9420848.1420 2466210.1100 2575859.7540 6494137.5700 3967864.1370 11789515.6300 9621126.4930 7701605.2320 744928.6346 5582913.7760 46045.7755 525020.4492 4410446.7340 6845475.5170 7315342.4660 8298888.1870 5821790.1120 1886413.1280 6016159.6960 10232021.3200 4085969.4650 6175215.7370 4189144.8480 3166752.9350 11094915.9000 5065759.2550 1582992.8660 2941579.1750 6533292.6640 5016924.6330 5409681.6510 7088524.4580 6143152.9930 11079492.7400 5960909.4690 6188393.4430 3428706.5720 4018578.5220 11043298.3900 7115942.9760 6007748.6790 5558862.2470 1894443.4090 4228301.4530 4954886.9780 8282519.2770 6388693.5580 5461486.5710 571784.4923 2364878.3640 6669682.7730 3545032.6170 6810950.6180 8172874.9700 2760612.7110 4895893.2410 7476325.7580 10191937.2100 3173934.3590 1505793.4810 6532105.9490 LysoPE(20:4/0:0) 117855566.8000 136991952.7000 86585638.4500 150340380.9000 95247345.3900 127138131.7000 91093937.1600 144782868.5000 204435772.7000 153746117.9000 157689622.0000 145469355.1000 128422045.5000 154263430.8000 120314898.3000 175942382.8000 111987273.6000 114498806.7000 129269344.5000 164042345.3000 150501399.6000 134074891.1000 142925187.5000 110202415.1000 138908508.2000 139504761.5000 145569396.9000 127789261.6000 165842149.8000 170195840.9000 171947920.3000 172831937.5000 158381226.6000 111937005.6000 168353432.0000 129402502.6000 124839515.6000 101003492.0000 99690977.8400 130117646.6000 84184452.6800 143860710.7000 98065714.2400 143393933.0000 131174012.1000 119075245.6000 145607835.2000 137406164.1000 177041442.5000 160099603.8000 127752314.4000 139846753.0000 128781144.0000 187522166.2000 133078796.9000 124510473.4000 107784149.1000 97758609.2500 106328528.8000 88373083.5900 177023112.1000 104214586.9000 138144471.5000 97511399.2000 110465872.9000 139581949.1000 145522985.7000 153773677.9000 150521346.3000 130620441.9000 121123631.9000 116562496.0000 154619049.1000 136108558.0000 136420401.6000 128026206.1000 LysoPE(22:5n6/0:0) 5257677.3040 4907742.4250 2241044.1890 6482248.0550 4421193.8910 5590526.1730 3012557.0210 3347722.7840 6499992.5400 3861648.8150 6354003.8720 5467837.8340 4687634.6830 5432605.3760 4238515.4930 4705154.0430 3777858.8120 3005022.0960 4449774.9870 8259735.6670 3434817.7950 4264663.4460 5602611.1080 3195806.8530 5733506.4830 3129642.3810 3034292.6520 3354983.4120 5482271.8990 4589569.4240 5691331.9970 4965323.2540 3731587.9380 4085398.8110 5055690.0910 4302202.5460 4159958.2270 2395306.8790 4121388.3980 4023250.2700 1846922.4730 5537328.4280 3527354.8470 7699133.9760 4344478.2610 3400969.9180 5066323.5210 4284194.8930 5852070.7390 6066943.3760 5359940.3420 3077147.0800 4774647.3440 6136966.8670 5699096.7240 4343547.4900 2828676.8100 3639849.4210 2731240.0210 2094501.1650 7178120.0180 4453983.0140 6424729.2890 2950432.9460 3056064.2560 5508969.9290 4828015.8900 5437834.9870 5560323.7710 4929648.2110 3729898.7580 5030358.3300 4593595.0150 5492615.6130 4099796.8090 3520623.5370 LysoPE(22:6/0:0) 52203359.2500 81623537.4400 61325635.1200 74823263.5000 52765298.3900 66293696.6000 58426248.7900 70996715.1100 122374597.2000 78163609.4500 78921974.9700 90008873.8400 61510876.8900 105336957.4000 72484048.8900 83754010.1900 51578181.7400 51587804.3800 71437321.6100 86488341.0200 82081309.1200 83504738.8500 44482289.3200 35789302.9900 52628631.0300 58259975.4300 52713292.3000 52987916.0300 68134334.9800 67559319.2800 64853486.5500 47888017.1300 69513505.6500 55929012.5100 59992324.4600 40947230.9400 61016518.1300 68545979.0400 44026637.0900 63364356.1600 47360193.8100 61189310.9200 42268409.9600 60150327.3100 72782607.7400 69719651.8000 77495430.9500 60533157.5800 84033408.5100 73778135.1400 53813308.2300 73049465.5300 71749941.2800 84842224.8600 61271345.8100 72846508.6400 56901685.4300 35979334.3600 61613935.9300 41455068.5900 68042006.8600 41751166.2200 57312563.8900 53916586.1700 59809805.3400 86844456.9100 76755948.1600 85052011.1400 66926303.5900 56151753.6000 74898531.0400 66907972.3200 72554989.4000 69792715.1400 83445200.4500 90212212.8100 Methionine sulfoxide 111842471.2000 104784221.1000 127236332.9000 119698879.0000 94232452.2700 136497705.5000 157219661.5000 77947717.9500 134049825.6000 137484903.5000 122423322.0000 114543962.1000 122649993.1000 88356279.5700 118020693.9000 116955922.7000 109390892.1000 113087216.9000 129023896.4000 79963734.4700 128303153.3000 86800346.9500 136664603.0000 132505483.2000 127373405.7000 106661289.3000 106725802.1000 86210632.2800 141022884.5000 133647395.7000 107280804.6000 120630464.3000 116332974.8000 98363180.3500 118511731.8000 137687596.9000 105705935.0000 99213642.0500 120781423.1000 98299167.5700 131573950.0000 131121104.0000 125901024.8000 67790422.9700 132792699.9000 110078493.2000 112538449.8000 124887403.8000 136501694.1000 148954113.7000 69961833.2600 135749849.6000 116621437.5000 128502901.9000 119605806.8000 61473376.6100 95155922.1500 110643429.6000 71386232.2800 98691666.6900 120828041.0000 108537786.5000 109706480.0000 105692278.2000 122670106.6000 98465991.2700 60960781.2400 108550869.8000 92171511.6000 5485949.5170 91437718.0800 57130666.4600 123438903.6000 96557852.4400 120390911.7000 98973931.1400 Methylcysteine 280699.2831 267098.7276 485014.6848 222601.7751 271019.2087 372615.9518 599842.7530 288860.3148 735148.1179 376218.3950 261903.0973 863152.6316 532925.7518 326357.2749 233465.1998 111695.9275 403856.4318 777502.8361 460352.0738 631432.6841 705343.7147 314748.7219 263549.9103 306265.8203 458976.6062 481950.4517 514998.1708 1002312.9660 425824.9475 705147.5294 684161.1676 1043355.2750 584586.9424 682745.0070 232939.7131 642414.3270 585906.9690 775165.7963 491207.1244 588656.9864 154164.5658 363734.6090 266917.4614 502679.4034 342846.6292 328954.4632 656288.1760 365346.1167 671807.1858 804652.6492 311718.4914 593249.5550 811459.9315 280264.3032 72151.2685 341151.1065 405263.4139 607851.1978 667551.5565 144395.3214 273702.5623 264522.7036 361794.2531 521465.8435 419578.5242 524535.5155 468736.9666 661991.5248 421471.5646 916910.4252 357662.6806 342281.6096 472904.9143 393900.3094 693619.3680 319320.1088 Methylglutarylcarnitine(AcCa(iso6:0-DC) 2056221.9730 688252.4555 760661.6195 1685435.7850 1398366.2040 492403.5160 4794841.7820 1049817.6740 2542359.3360 672835.6071 1955286.2150 1647977.6550 1551493.0370 861587.5262 1319949.0190 1531844.7380 766111.7601 3361276.4400 2208366.0890 1967069.6360 841880.5574 943905.7565 3301330.0350 2827894.4510 2461155.0270 1756257.7690 1621515.5700 1616655.9320 1658649.8710 2446133.4300 2589472.6540 1780974.3420 871304.1139 1965065.6990 4075374.6050 1067930.1750 2150665.2480 4605501.6210 1271332.0540 1008204.0400 756205.7814 1381123.3770 2555152.8900 2490003.1940 1306922.2040 2997860.6240 1738436.4770 826607.8109 2228352.1760 1270030.0500 1511259.7770 736150.9093 1055369.6320 1790786.5840 514954.4395 1314491.5000 2708163.2860 3809940.9020 1611927.2950 1472327.5400 3052804.6340 2815646.8160 3069889.9770 1435072.1810 4368577.7840 1081626.0340 2242651.2050 2621348.0020 2912818.8680 2342492.2300 1415486.5410 2595198.6470 2778391.3190 766283.6529 1506196.6520 4721674.8720 Methylimidazoleacetic acid 17541262.5600 11859893.7400 10785291.3900 9486776.5190 11576823.2700 10349814.4700 9609751.8460 12851484.2600 9971460.4440 10801230.3600 14040913.8500 12112274.9500 9814781.5030 9919016.8350 11823092.4200 10296231.7900 12018649.3900 17238271.3600 11965910.2700 23677606.3600 17288803.9600 11087137.5800 14628718.8400 13343419.3000 16386897.9100 10541170.3900 13355275.3000 16214811.8300 12445344.2000 12468126.4900 18424259.9400 11936511.7100 6149594.8520 15639948.7300 12370754.3200 11721394.1900 10727744.8100 12317617.1500 12276309.1900 18307484.9700 11465148.3600 10134626.5000 13930570.4300 11613227.6900 11742435.1300 10731425.0900 14750151.2700 3943900.2980 12959053.9200 15422009.9200 9992025.1250 10779781.8900 13016846.1000 9827106.8180 10414275.8000 8772999.7010 11791760.2100 21060740.2200 19855411.3500 13439401.3800 12279293.7800 14328054.3900 13755688.2800 11535551.0200 13067077.0500 12291192.4400 10755805.6900 14805046.6500 16718050.2000 10124069.3100 13810692.8000 16091699.5700 13553559.8700 9149526.0620 9748870.9780 9407006.2730 Metoprol 6867.9781 3859.3587 7083.6906 11128.4791 3452.9112 3605.2117 4060.6902 11142.1100 5260.3535 3042.6302 4137.1356 19296.7934 29850.8033 3718.7604 4593.5372 4056.1489 18196.0672 19965.8801 3140.5181 4411.8850 8869.9400 2742.2477 10950.6180 6024.0509 3711.0091 3253.0935 5786.9435 18220.5023 3777.8383 3486.9437 13969.8338 3199.3546 3414.3100 4237.0445 14107.5870 3070.6841 11319.2220 11083.0729 6791.5327 3520.2740 4381.5491 18290.0232 3363.5987 11291.9707 4788.8139 33791.3941 6876.4932 8803.6121 3096.4182 30559.6483 221296.6399 3576.2835 3468.0406 3633.8068 7093.8809 19801.7353 28433.9139 13081.2504 20297.3958 19239.8350 4513.3076 3485.4573 5742.4872 4918.2385 24345.9758 8726.8887 3761.6882 34493.4332 3035.8672 7331.1920 2726.3012 17088.2017 21329.7850 3600.6210 20536.6155 20177.0510 Metronidazole 235528.7274 63650.7411 167344.8220 123175.3150 45164.2763 131115.5609 37465.8901 140368.8943 272464.6097 87288.3953 40937.5403 212299.0677 144736.8581 207942.5627 97874.6738 287775.9313 219062.5715 189618.8048 301704.8542 139585.4249 143161.0140 187970.4187 48003.8231 221480.0242 116903.2073 76407.5703 175610.6771 90256.6508 252357.7513 352159.3563 77423.0016 73945.8357 128408.8229 114538.3997 71816.5709 108304.8543 140087.8579 109714.4520 183435.7800 162410.9025 61239.2487 117052.8086 88884.0409 99271.1298 73086.2587 76085.5229 87270.7836 69819.6685 247290.7166 197547.4924 99765.9331 76825.2820 167140.5258 76037.5805 159254.3153 112270.5189 309454.1914 203516.2409 129154.5575 75337.9776 77914.6270 147522.7240 32664.6650 99594.9833 50009.0632 87442.6459 30538.2232 194886.6212 62898.2549 61489.1722 69063.5998 95975.3372 164678.4789 34914.4327 142975.3246 68714.3899 N1-Acetylspermidine+N8-Acetylspermidine 6040605.5900 5611125.3720 3722558.7820 7766173.8920 4936976.9790 4637820.5780 6161164.0230 3612829.4230 4677251.3100 3908825.1690 4284644.4800 3600951.9470 3450714.8870 4827996.7780 4656393.0060 6389993.8580 4614253.7040 3514352.5910 5957591.9960 2962156.2850 3330741.1640 3764417.0800 6262962.7710 2811784.1650 4441819.2790 3576426.8400 3258131.5720 5403526.6530 5700527.0030 3477351.9680 2160601.0550 3037535.8920 3568523.2970 3555536.4030 6774337.5320 2670717.8080 3092128.5000 3582965.1040 2902503.8920 4340513.9390 3795379.4600 7732018.0840 4184070.8290 4446139.6090 5515099.6860 5872533.0080 6218875.7430 4561723.4330 3994919.7320 2655772.6540 4561772.7720 4797952.1170 3782621.4230 3986727.0050 4816724.1520 4321535.1110 4192825.6660 4583975.9620 6492242.2310 6357606.5370 11145500.6600 5061555.1830 5552567.5210 5587683.4820 6185529.8820 12328377.7700 6603248.1960 6155780.4890 4865428.3100 5411011.3630 6894714.6330 7097145.8890 5287766.0690 4545411.6300 5010171.2810 5825604.3060 N1-Methyl-2-pyridone-5-carboxamide 119615437.4000 111196741.9000 142605897.5000 118257771.8000 61284133.0400 116639629.5000 129809167.9000 152280452.5000 64602950.7600 98264205.1900 82331475.3100 137859090.8000 94719011.5600 110039126.5000 146681944.6000 96821036.8500 177592218.7000 206616750.3000 159639686.5000 140308067.5000 135187619.5000 115511979.0000 132558942.3000 97733204.5700 152952283.9000 107791036.5000 113649231.8000 102320494.2000 99091152.7400 61030643.8500 155120933.1000 100871687.5000 80808994.2700 215049710.7000 109399312.0000 178473526.5000 105503502.9000 174449521.3000 202188847.2000 135867468.7000 134190127.5000 131960551.6000 68651561.2000 116060029.3000 59009937.0200 137437692.4000 105854920.8000 95357399.4600 68795330.4700 182883578.9000 112543781.2000 81332058.8900 178927562.7000 99826766.4600 199001079.7000 90332824.5900 159121336.6000 224451057.6000 115855694.8000 132111334.5000 134124184.7000 106501185.5000 143698886.5000 74139998.0200 140217076.7000 97499264.2000 100603892.5000 70274942.2900 168893008.8000 104316684.0000 83744933.4400 198148126.7000 120559736.8000 191168599.8000 70075060.0200 178626592.3000 N2-Methylguanine 465214.3779 615898.3825 567379.9051 931272.9219 299076.6649 844976.4372 1461543.4290 1085075.3530 871140.6588 651401.2909 1450745.0880 2018355.4770 466688.0139 910706.3995 640430.5997 934964.8918 435614.7005 515198.9342 1169950.5030 614225.4947 2050663.0920 904806.5778 1343165.5400 536281.3679 2286728.8630 293225.7335 497760.3358 2604401.9730 329919.0825 894463.8285 1684393.8740 151276.6282 451475.7546 1418790.7980 393995.0370 1746588.0330 321113.5653 1845342.5850 737771.9452 557285.7497 84691.1605 559620.8595 1986621.1040 1083315.4560 301505.4130 772549.2009 2340522.4510 1596296.6630 1215471.2710 2277275.5620 1493308.6100 221346.4660 365416.7514 418948.0626 496212.0443 35940.7426 799244.3411 512456.5618 486565.2616 740445.3124 1541269.0950 789672.5036 1123372.2670 1024982.9750 536446.2367 1065646.1720 1017964.3160 1261423.9580 470501.3135 428170.5589 719474.6872 1302898.6000 1548577.6640 427999.4351 499154.2589 534338.6780 N2_N2-Dimethylguanosine 2252536.2980 1297046.4330 1436094.3820 1863834.6680 1073168.0320 1242224.7660 2263702.7590 1874327.0330 1259357.9310 1535505.1760 2112558.7830 2316527.7800 1738455.0940 1299066.2860 2201655.0970 1395397.7980 1676862.7600 1858609.4160 1642638.5670 1800577.6290 979356.3006 1583347.1620 1944655.9890 1182335.1880 2218058.7750 947000.6711 1060516.0630 1709691.3300 1646810.6420 1436035.6280 2694504.2250 1593727.1420 765398.1912 2315549.6530 1448549.1610 2025813.1400 1606043.4100 1985121.7010 2191314.6070 1605368.6770 1815597.0980 1537636.7840 1203129.4110 2625122.2260 991544.8971 1858461.5840 2587661.8470 1493851.0220 1866503.5970 2220371.9220 1971983.4160 1476868.4220 2494127.5120 2028562.9460 1435790.9650 1417716.8750 1759803.6360 4294230.9000 2261233.7240 2457978.3750 2829824.0070 2300724.6480 2727292.3580 1185160.3840 3240736.1980 1543605.0010 2987732.4750 2196121.9720 2898415.0360 3083698.3830 2838032.2490 4028530.5440 2841758.9380 1761804.7090 1235694.5020 1897591.9530 N-(3-acetamidopropyl)pyrrolidin-2-one 41786125.7200 43010230.0800 49511744.9500 58823896.1100 58314248.7700 61251756.5700 67540257.9900 47775273.2200 42595094.0000 27872381.0500 26939768.4300 32633038.4600 51057118.3800 28373171.0900 70925256.8700 45025348.7100 68793249.4400 49175292.8300 66987689.9200 43933184.5000 65885155.6300 52348875.6500 70110379.6600 60009590.9600 64256970.1200 44710258.2300 60134464.7000 75305676.8000 39474131.8700 36137619.2100 39406997.2100 55626480.7100 48280934.5000 108333631.0000 53286909.6400 66897029.8200 59637370.1600 88210544.4700 38195162.5300 47043201.5300 50305749.0000 61631114.3800 67884379.8700 66827397.9500 56149169.6200 66215595.3800 71163090.1600 40559800.1900 33620082.1500 38689223.5800 60988618.5100 51937745.3700 111074454.2000 55680222.9200 64722474.7300 54672396.0900 94168116.0000 48067547.3800 69604746.2700 59415761.4900 80850404.1600 81101425.1000 70449495.7300 56730613.6100 84882939.7600 66506163.0700 54283599.7900 40426579.8000 42005775.5300 72904510.6500 65753319.4700 130935134.5000 66257694.3700 74716804.0500 63262947.0400 101700814.5000 N6-Acetyl-L-lysine 2446163.5450 222159.5239 2500516.0760 2324149.9260 1894370.3350 1146574.7350 2147789.1540 4224549.1990 2408724.5630 2178356.5420 1869674.3060 2278277.6710 2139453.3980 1381058.1030 1216281.9510 1807297.7480 2833754.0270 2453287.9410 1121205.9650 4445578.3040 2795569.9500 2818650.7500 1847313.7350 3397194.7080 3026341.1590 2727921.8940 2551246.3640 3353976.9580 2873702.5380 2483672.1450 2686634.2970 3622120.3970 2803178.5670 2311602.5060 2142427.3550 2972470.5410 1548222.0820 2092093.1140 3198296.9050 1080874.8490 1781820.0550 2684076.2710 3735735.1650 2730795.4940 2831387.3500 1154319.3110 1887420.3600 1303302.1690 2547278.2800 2668646.4370 1635829.4380 1817918.5920 2575136.4580 2201023.2570 2356895.6810 1557710.9290 2522255.9480 5392701.5350 3393241.6500 4398465.3060 4790922.8940 4341899.6970 3332477.4540 3665616.0300 4290634.4390 1477198.5900 3578700.5500 3662391.3060 2911796.9840 3780289.1140 2025510.2850 3213520.1810 2596201.7990 3671253.7590 2452774.3220 2026602.9050 N6-Methyladenosine 1328128.5570 336859.5883 558023.2005 419875.6270 219241.3244 366246.5419 712598.3824 624817.0237 129449.6098 462544.1577 661427.4442 315279.2567 861209.9440 225221.1497 700764.9391 479824.1297 612228.9310 829332.1031 539913.5791 377199.2474 278001.1853 553622.1794 398319.0606 460557.3373 357288.8380 216977.9598 130636.5020 687459.7717 219164.4022 367603.0563 718373.9727 225357.7336 168529.8233 748542.2412 518540.3970 879758.1655 869414.8961 550914.4392 492506.7268 1056551.0510 699705.6324 320204.6625 172939.1890 828672.6677 244611.8631 435581.6701 1946399.3840 3393437.3710 727931.7669 979393.5644 883540.4215 295820.4127 628163.6999 922297.6431 785289.1473 676272.5107 949642.7690 855595.3516 332124.0207 660215.0156 642169.7452 961629.3386 523793.2298 234196.5035 862891.4895 401072.8572 751034.5725 407340.0514 295906.4368 747622.3274 1018657.5070 1077687.2200 1134683.0410 287433.0988 307518.5399 264178.8070 N(6)-Methyllysine 3079377.7870 844758.7421 4380533.7190 1860170.7000 2407642.2300 2105775.0420 14002753.7200 8817535.2730 2080121.6680 1380135.1810 1513581.2040 1696665.2110 2933013.0400 1724761.9770 1573198.5810 590648.0352 1474174.6310 7778355.7230 1014860.3850 3379650.9130 1314601.4760 3803963.2800 2399601.2850 2386527.8170 3110632.7690 9392661.9080 10354485.7200 1548165.8970 2520790.8050 1736901.6260 1105124.9480 2944554.5690 2123353.2220 1988396.0550 1446041.2250 2065365.3310 6995486.7730 914245.6146 2633559.5820 510599.0381 4417891.4360 1275915.5500 1693657.7790 2712883.3850 9971163.3620 8835291.7010 2156494.3950 1326533.1700 1146872.5060 1039724.9290 2418616.3380 1410375.8690 1714463.0620 745480.7947 2043874.6170 7046263.4140 891225.9001 2001157.5900 559013.0550 3812595.4130 1467144.9040 1945280.9420 2105469.0500 8383718.3510 7538779.3810 2381525.9930 1307218.0660 1096563.1240 1215162.1160 1935307.0230 1168056.2380 1732176.7010 703872.8637 1442956.5520 6474922.7030 986047.6360 N6_N6_N6-Trimethyl-L-lysine 27382247.8200 14638279.3700 12386440.3900 15834302.7600 13191739.1800 14345855.8900 16195932.8900 26452759.7400 14330548.0900 15808862.1900 28570908.9000 26375042.7600 20394318.1200 17028224.8700 18850993.0600 15124614.2200 16019947.2400 24694694.7500 14654268.2900 54483159.3000 75638127.1600 14233819.2500 92044781.2800 54154943.2100 39438381.4500 29195620.5100 58005994.3100 18177011.1800 73866624.4000 35249987.5200 33409397.1300 41903786.3100 28874072.0800 73533283.4300 37681047.0800 51551942.1600 16836522.3300 13165050.4700 18956969.8100 36840232.9200 16543249.3300 12786954.5800 9367683.2220 35717942.2100 17428273.4200 16155742.0500 25803454.4900 13641957.6300 23959383.3300 39447195.5100 16759530.3400 14193630.3600 21909063.1600 23910020.5000 31892639.3000 26606905.9500 14755827.3000 24157594.2100 34623292.7300 25440651.2000 20700379.8000 16238666.1000 46356999.0800 18757823.7300 18290254.7500 33050867.3000 18638116.7300 25178891.4900 58997444.9600 12796476.7700 21205090.5400 38520340.0100 23495072.7400 20210787.7200 25873290.4800 30961609.2700 N-a-Acetyl-L-arginine 1791826.8100 1057306.9740 1258374.6670 1532098.3400 1007596.5220 1040676.1660 1231304.1110 1972701.1400 1218136.7980 1550256.3020 1965502.7000 1216418.6230 1855404.7820 1090823.9530 1913844.8500 1222089.9080 933052.4602 1670396.8480 1145164.1270 2263679.9540 1621256.1250 1387322.2410 3712805.2210 1497313.5910 1588635.2440 1714492.3160 1458031.1110 1277545.0360 2362493.6150 1866282.8710 2399424.8260 2678951.4860 1664110.2780 2319647.8200 1729600.9950 2329636.1570 1907081.7350 1094033.0900 1927649.9910 1618462.5180 1917046.4720 1846945.6100 1064638.1220 1268418.2990 1461291.2330 1114406.8790 1749294.1560 1474483.6800 1789816.5440 2208543.5280 2181744.4220 1176300.3940 2280739.9280 1393253.7310 1734325.2220 2160390.7180 954204.4107 3562947.9900 1467513.4590 2591711.6290 2374487.6620 1488649.3240 1769487.9900 1568060.3750 1638543.7530 1251383.3330 2096786.7510 2169053.6540 2906356.8210 2529436.0800 1670220.8930 3362142.6980 1821583.1760 1866482.9390 2159125.6370 1600121.5810 N-Acetylasparagine 213014.5323 249918.3376 102167.1768 225933.2287 62009.2908 181189.1514 188170.8638 50514.2304 31977.0397 54316.7929 279952.3290 85228.3475 123391.1914 346996.2112 265699.9283 268422.7982 64826.2172 98184.2819 3463.7077 618920.5347 254795.8430 90695.4202 60938.7581 27341.1817 227281.4621 123707.3137 60581.3295 164760.7770 75076.7362 269121.9149 258010.3433 195337.9749 228558.1606 282505.5043 467984.5281 209191.6520 163052.1955 28725.5415 533145.2860 197957.5274 247839.3375 121121.1635 233575.3305 208353.6859 132168.7618 140769.8775 135963.1314 53578.8642 583318.6500 315417.5148 225288.3895 268334.5570 245179.0565 231283.0727 399666.4824 39049.7340 105410.3596 990252.8800 282310.5980 338595.8474 444609.3499 329895.8516 782609.8119 314628.1928 374629.2675 139221.2862 276253.9580 493783.9139 6927.4153 282876.8929 481737.7012 786791.0850 452591.7837 239599.9408 194737.5571 803677.2334 N-Acetylcadaverine 709815.2220 26789.8298 46575.6012 57761.1238 23202.6750 322276.6629 942112.0491 356838.2878 413480.9523 158852.3267 3626201.6620 32283.4037 118019.1821 585315.6482 846439.7322 332608.6281 12784.6828 123093.6501 277109.6826 138283.6284 35187.5727 169987.0036 112350.0019 20106.4963 174777.7878 295999.6552 234219.7341 599452.7757 37407.7681 2172447.8170 172016.1453 101249.6196 202822.7172 270904.4196 463995.6078 316492.1675 70933.4112 97996.4348 203740.2924 63615.5810 332974.8663 105086.2004 14282.3001 146151.2051 195980.0018 285681.7292 1220284.3370 69295.2376 1537501.6340 44580.0979 133839.2061 220156.6724 395522.4125 32274.4942 207755.0550 90761.7530 155720.5249 88226.7833 102568.5459 751630.9841 124451.8114 138999.8450 184529.6265 357149.5573 569558.8069 705192.4675 145571.7674 2746397.5240 169421.7930 254997.4969 359381.6306 679102.6333 600266.2521 120763.5833 145161.9765 90905.2713 N-Acetylglutamic acid 626873.4718 268308.0440 282940.7337 344183.7898 277988.0031 159403.7758 265317.2276 269310.2076 282230.8473 316067.8031 446132.5782 113719.4661 307916.8768 175722.2465 407919.0284 232604.3635 284634.8739 391697.5589 279177.2460 752048.3306 325941.9690 381986.3540 367869.6811 425944.8479 374224.2864 422060.3366 416081.0179 374560.2307 475647.9929 25226.3029 449058.6732 562068.0523 464360.8192 432927.5282 298893.2314 415993.3286 361230.8659 246072.5675 764824.6672 243880.7225 389733.8968 374868.6186 301630.0304 357809.0782 301066.0259 250741.0501 411147.2802 299341.4238 621899.2158 333594.9918 308874.2561 452055.0181 352728.3986 282690.7356 323710.8037 213428.7979 285515.0208 977400.6949 234103.1297 472815.0161 695493.2866 734291.0340 533873.3256 423573.6727 497613.3300 212271.4975 443405.9553 719545.2030 392911.6599 456072.8202 408131.1961 418405.6164 214709.0609 411515.8663 390476.4133 430668.4314 N-Acetylglutamine 156232355.4000 142451942.0000 138912088.9000 113883358.4000 129705760.5000 110005256.4000 110922708.1000 117055076.9000 147647946.6000 145777970.1000 118928589.7000 148014967.7000 128495537.9000 134868120.1000 107686567.7000 121171606.1000 147806387.5000 149772595.8000 120320698.0000 171058717.8000 159396768.0000 126142878.0000 117672289.6000 137528451.2000 117540772.2000 119926561.8000 119614146.7000 129031270.3000 124964648.9000 146516617.4000 130214963.0000 127122993.9000 147844259.7000 156392262.2000 133437985.7000 143482777.3000 137721764.5000 137102393.6000 154338378.0000 127802053.3000 124878376.3000 169646164.2000 175393359.7000 112741885.7000 108765228.5000 105197222.3000 120698401.9000 130037184.0000 131602983.8000 118158494.6000 141890670.8000 123910181.3000 142784741.8000 134171516.1000 146247067.0000 158307265.8000 130075235.4000 159220626.7000 133760459.9000 116237293.8000 121458221.3000 127601796.9000 116829761.4000 108115379.6000 125547384.9000 123871576.3000 143311045.1000 157507574.6000 134025565.1000 153924264.5000 138431017.4000 119830044.2000 136775002.9000 149520408.4000 143444303.5000 126889230.5000 N-Acetylisoleucine 70593.0031 63988.5570 938.0222 72112.5370 35375.1221 27765.7696 59936.8602 86777.9759 82203.9845 73797.1241 50087.3607 33185.7901 74906.3302 35308.7822 365867.9125 66874.9669 117566.0021 106460.7032 971.0533 87704.2515 204474.5319 29858.6610 532305.0854 67683.9928 138224.1707 85101.4639 30934.2238 90159.4220 878065.5567 30407.8788 40782.3352 36241.1189 23672.1815 41007.7980 23870.2988 81844.0473 14881.7136 87842.9117 27753.9607 56843.4035 117057.6464 60756.2608 18814.4495 59484.6807 21333.8996 40038.8661 187256.8374 54253.0460 82761.0177 3714.1032 92026.2411 89756.7224 590921.8522 95556.4705 19671.2556 10198.5294 962.3237 87172.1287 43875.3795 88823.5552 39527.0959 61820.9307 4630.9720 1899.5719 6458.4543 22776.2458 56465.1535 87998.0873 7558.4889 64700.1105 20295.6240 61666.4531 19365.8824 335963.3485 81112.6490 33973.1379 N-Acetylleucine 55068.5237 133916.7786 72217.5335 127412.0635 168100.2106 31619.1487 56356.7523 33998.5698 31822.6553 64769.8387 61049.2688 164074.6604 112864.0187 118176.9696 156173.5115 68092.3194 200148.5905 51369.5922 151598.9712 653356.1992 340036.2636 28499.3966 55173.8850 319941.9519 81432.7155 45299.5532 50098.6335 283012.9861 106912.8635 358794.8109 72266.1789 274258.5830 191084.2603 244899.1950 88637.7392 70388.6632 96594.5955 300939.0223 48743.6448 54471.8121 71537.3973 45997.9044 48805.4019 52822.0294 51040.9739 120499.1356 58663.0689 58489.0717 318860.7894 386215.2931 82156.5402 90964.7690 243025.0772 318879.2693 34987.4672 45827.1150 50578.1695 363191.6543 87152.3930 110995.7359 44384.6144 25548.1878 309601.0884 31147.8964 50980.7643 150279.3689 110427.0181 66019.1218 74260.3321 450229.8067 104376.4259 65015.9131 340654.3489 411886.8404 119207.4002 58052.2885 N-Acetyl-L-phenylalanine 558446.6029 324438.5206 438145.0629 267043.0348 243598.2192 400074.1705 355869.6965 508667.5314 296481.1777 273896.1816 398214.2775 284834.9951 339893.9123 312360.3956 414661.6266 353256.6992 326569.7751 354572.8530 282606.1725 631310.7073 515101.9483 472495.1528 348042.9007 401224.6617 425269.1149 429577.3589 370849.2886 368132.7945 284008.7147 369395.0825 495029.3322 355937.7907 443124.0880 357449.0369 377960.7538 524119.8886 408267.8632 348113.0278 514185.2141 563663.4504 467436.8536 320793.9433 478891.9653 446128.3742 313834.0813 408259.7277 406808.4061 239626.3821 613481.1425 391631.4758 304144.3435 328907.4455 465105.3800 539838.9913 323454.7083 333376.1705 307051.0645 1140177.4400 1013168.0890 690223.5812 491082.9035 585420.1335 581303.9768 400842.5198 672562.7281 329034.3874 399154.3873 498816.1964 529373.3242 748461.6088 434386.6561 519880.7554 515940.4246 479151.1307 365874.1340 437559.6539 N-Acetylornithine 6665947.6430 4433190.9460 7102057.0700 4214110.9780 5763767.5750 6050418.3700 7087694.3590 6234395.3180 6672857.8820 5420493.5550 4860294.8710 6349517.6740 6487828.8550 5286958.2730 3682134.5610 2541035.1210 4726634.3820 6642389.0600 6788390.2400 6355577.6670 5704443.4890 6396970.9700 5448971.8360 7049478.0490 6220263.3500 8395970.4410 5866689.4950 9445153.6200 3680749.0840 4229432.2220 7603815.6790 6101608.6450 7762449.7200 4650471.5960 3312867.0230 7206082.8990 5379733.6250 3215461.9560 6307769.7130 5262988.0310 9746513.4060 5150634.1130 4785279.0170 6320410.4850 6250925.4360 6022045.2350 6981341.6350 5147275.1250 4953608.2640 7883496.5030 7197930.2380 6481974.1910 6217541.7460 5218167.6080 4855779.5090 5614935.1730 6205845.8240 6481684.8650 5552011.3040 7440741.8750 5718347.6540 7510441.5860 6508574.5060 6345272.9730 7096158.5620 5895908.6330 6179551.3640 4972907.3170 6767568.4770 6879138.4140 6803855.6330 5824093.1040 6726365.5700 4368365.0180 5736527.0090 2704890.1070 N-Acetylputrescine 72071.7760 82316.2945 82415.6741 57006.9294 36810.9671 43911.1211 161979.9384 26002.0616 64471.7689 52919.6635 58011.0936 32479.7567 32236.3293 122398.7621 48281.9558 58689.4471 43385.6226 55207.2199 66856.9353 46217.1917 29880.8025 35420.5821 183735.4322 53802.9854 20679.7562 234155.4826 77706.3744 106893.5856 98182.0806 41840.1043 20516.6764 23801.3639 79036.5661 82918.6001 43872.8002 49845.4885 42526.4354 87112.0339 63632.9987 61454.8622 45489.8169 26871.3443 110066.2061 71146.6375 43910.1139 55711.0324 44801.8841 75101.1565 59722.2267 42531.9204 20965.2522 50056.7720 160785.8539 111558.1333 81425.4665 78800.8882 98054.5571 122143.6417 71575.0285 30600.3473 197357.5627 180130.5510 59603.1986 48569.2807 106583.0358 24614.5232 137900.2431 183796.0409 67314.1413 48557.6459 154451.5863 89891.2050 152660.0586 42640.3736 57818.5669 105407.1687 N-acetyltryptophan 541535.3592 362452.0617 411227.5081 280551.9629 115580.6295 467320.3413 542816.5584 721130.9177 451194.8447 317998.1274 378470.5326 479355.9029 318640.7481 202601.4267 458062.4039 351569.5512 485602.0025 387844.5862 479921.5153 696489.6803 480672.2405 639414.5563 545879.2184 460570.8263 557202.1501 767653.4113 484608.0418 427624.0057 438463.4747 498594.5502 570097.6089 320348.3973 492290.4616 534555.2784 598223.7731 902139.2998 433681.6588 446954.5697 726038.2187 430706.9833 632409.7909 336024.5380 230926.0319 544763.5392 473095.9232 613315.0838 510681.0614 389994.6628 299092.8684 644512.4799 478296.9465 261741.7940 424591.0166 629606.0827 529217.1175 341177.6660 513989.3745 2150101.6010 661083.4844 1483624.9070 678477.2836 576335.6337 866727.0981 606526.7891 1200317.2850 492852.0039 589141.0013 642099.1491 728521.6172 1025033.9930 615208.1774 520624.8273 749892.2573 832536.0759 593741.4445 529279.1858 N-Acetyltyrosine 190662.8538 115293.8307 90633.7758 144955.4122 83465.2000 181016.6549 279570.1612 119384.7095 72602.5716 81747.0308 116089.3422 47652.9824 136665.8850 117160.0686 181884.5893 177567.2820 80875.0830 29037.8860 143455.6685 183984.8233 110557.8017 260309.4573 197778.7988 81151.5258 166072.4278 155711.4196 96114.6345 77349.6317 210590.5615 81870.6815 101138.0840 54084.7230 126782.3123 153673.4293 186045.4227 98407.5722 130110.1562 61493.1201 138906.4409 108192.0420 246670.2424 105613.3376 89167.1583 185477.2467 167907.8096 108437.2961 134444.2031 112953.4792 103744.6893 144414.1170 131207.6744 79515.3646 121908.6707 221065.9121 151281.4686 117282.4434 131055.9133 370406.3332 76611.2317 422755.2564 305316.1030 329793.9965 221783.0494 111786.1425 153580.7263 130765.5621 88723.6599 99463.6923 151827.9161 140519.5322 156234.7387 176175.6227 188562.9918 137216.1907 93077.5598 117714.2566 N-gamma-Glu-Gln 15046095.0600 7996905.2930 10851584.2200 10870748.7700 14284684.9400 10842482.9500 12075101.7600 7844425.8660 10814634.1400 8358109.6590 10891770.1700 10345458.5600 10608960.1700 9288542.8570 9009121.0820 10722500.4700 7515378.3060 8114563.0480 14327452.9900 13209916.7200 9064727.2300 7564548.7980 8075143.5660 9773941.9120 8959729.2610 9198830.2070 7797264.4940 9807866.3670 11946941.0400 7350407.5140 8317404.6030 9300300.1540 8849042.0460 8718889.2650 12433567.1700 8491014.0300 10858835.4300 9333797.1160 11945846.0000 9964286.4410 10731531.0700 10643688.1800 11536968.1200 14078147.4200 8878993.9160 10210545.8500 15603274.2400 6566728.9490 9192064.9840 7876240.7700 13578605.4300 8637668.9060 9920031.1560 12176195.9200 7868857.0020 15049747.1500 12480544.5300 13887069.2700 8586172.2480 9090744.7190 8155364.9010 12397545.1600 9921257.2440 6582649.2130 7929639.8070 14831239.8200 8574720.5400 7113666.0000 10913107.4500 10118063.5400 9202732.8240 11420255.1300 10144251.5900 5617552.1780 7918222.2630 10988340.1900 N-Hexosyl Alanine 7962283.9820 2801477.5230 3432590.0220 1913672.4560 2494876.4220 2029050.2040 2810873.2330 2825906.0690 1775575.1740 1460981.6840 1539641.9680 1569076.9970 2126029.5860 921718.6045 3225358.9350 1724206.9980 4299300.4330 2256368.5070 2194248.2140 3647993.3210 1385542.2570 1078059.9040 1519227.6630 3335054.5810 2646126.5320 3876405.4020 1678678.5930 219325.3944 2545306.5350 1106196.1610 1670691.1420 2174434.3610 1358395.1040 1859741.1360 3280445.3480 1626328.7440 3910818.3800 799501.2818 1678374.7530 6239150.2540 2283001.1650 1947483.0460 3075311.8780 1810024.7140 2446913.7330 2415275.1640 2605876.1370 1602321.3040 1339945.3640 1707838.8070 1596444.5870 1190514.7230 2903790.7870 2102194.6130 4115871.8600 2323735.6120 1567302.6840 4580262.1370 2494840.6970 2406796.5750 1707322.5580 2627158.3750 3624978.1380 1847230.1710 1649362.0780 1298346.8900 1994808.1960 1719976.2630 3729432.3350 1961766.4840 2119252.8930 2200035.0170 1696732.4810 2133263.0450 1857537.9400 2262929.6360 N-Hexosyl Glutamine 1977161.4560 637041.3909 227213.6195 730832.0772 1097223.4870 23021.4492 3003775.9560 268951.6909 23017.0848 220400.6956 314908.6032 173952.0579 899499.0143 427741.8831 906102.5688 428231.8996 5205999.9980 3427360.1100 23020.3216 1441618.0270 126871.1393 167523.4677 965384.1991 871775.5181 538313.6282 119976.3313 23021.4492 199786.0087 2142601.5760 165145.9023 551655.9576 772118.0465 566686.9272 449135.8147 1316501.1850 186018.7127 2807668.0890 271993.7300 671617.7852 650359.5665 1132858.4640 238393.5194 656049.0998 3100395.8250 115698.7882 264784.3643 6737299.3230 465502.1569 1474012.9830 46042.8950 1688012.3860 54379.3939 49960.9581 449909.8873 3982952.0980 1651285.1830 376590.5890 23021.4492 261953.6760 933469.3242 105270.6580 1034671.2820 1526924.3140 197005.2592 348034.5559 1495289.9670 917281.3643 348081.0713 841657.6321 249967.4385 3200464.2070 704705.8088 211493.2746 502278.2768 279469.5820 22990.8816 N-Hexosyl Isoleucine 184659455.5000 48999802.1200 295355113.5000 46210816.9000 69109975.8700 39575426.3200 183917200.1000 47481144.3700 32111262.0700 46410323.2300 63526511.4600 64428918.4400 121680473.8000 48981585.6800 259310718.1000 41235580.4600 478966524.7000 377731322.3000 52030964.9400 121944251.0000 36087902.6800 20739720.9400 91421794.7300 148945223.3000 79953946.4500 136477389.9000 63606360.3300 19576653.4800 167094602.4000 66827492.9400 83968930.1300 65116750.6600 106023046.5000 119237277.4000 86421011.7900 150407952.7000 137667568.2000 37496450.4900 44155330.2800 71310953.0900 73010173.4000 44546650.4700 80016501.2000 102985311.4000 22833221.1700 51921742.2900 140003240.8000 26320833.2800 105973537.3000 80528974.4500 51263106.9800 39200830.0300 133509609.6000 82521213.5600 324040449.9000 47803572.7900 56025326.9600 54532616.9200 24423089.4500 57283581.5100 79692319.4300 51699292.4500 106305036.6000 27038844.7700 75936362.3400 35233806.4600 63490175.3300 41385612.3700 84567586.3700 71404974.1800 103372884.0000 70716880.5600 52789061.8400 56710022.6300 25122374.8400 30513973.0900 N-Hexosyl Leucine 10380032.5900 7573679.1100 5841372.2990 4976811.7000 3312217.5130 4914414.4670 6835519.3610 3733915.0490 5255749.7280 9425033.3440 3421648.8350 5545454.1570 7083283.9870 4125989.3700 4598603.2300 5298496.5280 6218930.9750 8600975.7520 4139606.9800 9988346.4840 7319476.2360 3605124.2290 5321430.4250 4256077.8570 5068053.5590 6395002.9070 4688106.4070 1788518.3830 5943735.1040 9690407.2940 7398600.8560 3933570.9860 8573519.5330 14983920.8500 5960639.0240 6461381.2800 5259271.6090 2675159.6420 1825756.8800 1623933.1300 12450744.4300 13795545.3800 12000267.4800 5080939.0220 5050435.7730 3244628.0290 3626949.7350 2223107.1160 1046848.0290 4406212.3040 8606580.2550 3782068.3610 4814000.0920 4459769.2110 7960658.2300 8847056.8990 3234947.1780 4857291.0690 3710816.8290 3824881.3850 4092207.9940 2848371.6620 2502265.0410 2443343.3660 4441757.5060 6357147.8520 4155763.6370 4187904.0810 7083664.4240 7476959.4680 3335983.2440 3063043.6200 2616183.8970 2616010.4380 5437437.8110 3705487.9430 N-Hexosyl Lysine 4476943.2760 1366048.5680 2621513.6270 1739811.9310 1324666.4780 1364085.0390 2301305.7420 1263505.8510 1519350.9630 1265527.9530 639824.1443 1832617.1950 1350168.4960 932921.0983 1712944.1030 1512858.2230 3847295.6020 1518197.7650 944969.3044 4907602.3830 565950.5730 1187285.8010 1364822.3180 3787493.0070 950852.4329 4116267.6230 1013296.8010 477191.3842 3402880.5590 1797631.8780 1478541.9110 555235.8026 3113974.5190 1263083.9450 1463860.3340 1694961.9230 768518.1352 377744.6095 2119207.4790 1665071.2180 1718231.6100 1682131.2260 2360598.4820 1318216.4530 1188988.6310 666738.9748 1559880.3710 1386685.6410 1320372.9370 1706143.7410 1255893.6950 788563.8633 1405926.8520 1464585.6050 2332548.0300 686124.7050 869876.4369 1316290.9100 576230.6049 828865.4036 1772356.4230 1282600.5350 1586167.5820 1011957.7000 695422.0083 1049525.4310 1670335.7410 989217.1007 1749346.3900 1338984.0770 1545601.2040 1661752.1430 1338009.2760 2045239.0940 623863.6617 508115.3282 N-Hexosyl Phenylalanine 38580982.7100 14351146.3000 33663659.9000 11499181.5300 12116686.5800 6430581.9920 20844558.4900 12493178.2100 10123260.6400 9601221.2790 10292371.7400 11199341.6000 20633911.2900 10729258.3200 50888836.8500 9343217.2580 77099154.2800 59532964.2100 8911017.5340 29437271.4100 10775248.0200 7932014.5140 18740215.5000 18745184.4400 13025685.1000 17425299.3100 9908826.8920 6296832.0880 23644743.6800 13281008.6700 12063157.3900 11631466.9600 12390600.1200 17159601.6900 18494779.4600 21009913.9700 27939289.9200 11055914.5300 12206201.3400 12628799.8600 12053973.2900 11418197.3400 11725058.9200 23768631.2500 3704345.3700 8519917.1500 24328465.3300 8083514.2940 15454633.7700 11714685.9200 10173450.2600 8295564.0810 18056515.0800 16814222.8700 42608310.2400 12790631.7200 13785597.9100 28511025.0300 13878519.5600 15867094.6300 14995126.1800 8680350.3090 22349307.7500 4378541.5070 18577500.9700 8554942.3240 21455936.2400 13364288.9200 17571605.3300 18588971.6600 26512933.2800 19861484.8500 14145737.5400 13745077.2200 13850601.0800 15418504.9600 N-Hexosyl Proline 3909685.5520 2403783.6630 4611701.7980 2043778.8890 2628722.4240 1102614.0320 1701786.0990 1351588.2400 1699105.4190 945831.1826 737240.3920 1062322.4090 1932396.8680 748677.9639 5350030.5650 1511668.7980 8618270.2680 4128368.0490 1064695.8240 2378085.5230 1353984.3470 501400.8099 1379876.0410 4998038.2630 1123975.3390 6575195.2910 1487686.3430 127348.0894 2257038.0160 1632553.6550 1086694.4760 1916782.6490 2491092.0920 2083908.1320 1516627.1360 1355250.1750 2490718.6980 1076106.7580 957487.1917 3204820.9120 1231972.0530 1510729.1660 4102646.7250 1206326.1060 2263637.7850 1026100.2590 1283544.1670 2018724.3920 2072396.7070 2326096.5180 369807.9231 1848236.8400 2209949.0980 945111.7122 2989337.5960 1487193.5950 1339617.8110 1908756.3790 1397472.8720 1078180.0580 1172454.0870 1664216.9110 2137497.3440 1424901.6730 1721294.6330 820275.4297 1156675.0970 1973600.1670 4355551.8350 1162157.4010 1883492.3530 2674564.7740 578360.7298 1945369.9970 1260132.1650 2143876.1780 N-Hexosyl tryptophan 32230520.8900 14979377.9800 35502482.3200 10978382.3300 10592585.5700 10668200.7800 25784403.4100 16921201.1000 11923316.5900 11278799.4900 11189253.1900 15671099.0200 18107149.8800 11757469.5900 46463445.4200 10010582.0600 81755766.8000 57757299.1300 13833092.6900 20814548.7400 13095938.4000 9694643.8490 13571163.4700 19067823.9900 14999029.4200 19817208.5400 10410081.1700 5402792.2680 22947554.2000 14332091.2600 16014743.3200 13385604.8400 13132216.4300 22100164.3300 16926270.5200 25655077.0600 32761659.8300 15518233.9000 14939865.3000 23632765.8400 14591009.1400 11436960.8500 14609941.4000 23184154.9000 8748647.7630 9894944.2730 30003615.6900 11984406.5500 15318091.3900 16230988.7800 13193030.3300 9462995.4600 22228751.5700 19888637.6500 52346207.7900 22306953.8600 16782445.7300 32676671.6400 22462852.0000 18804069.6200 13708830.6800 11941562.9400 24431674.2800 7967201.0140 21337061.0000 9361215.6320 26598604.2900 16411282.8000 20552791.5900 25205725.4000 24066840.9000 22142914.7500 15722029.0900 19637747.9400 17695480.7400 19800693.2100 N-Hexosyl Tyrosine 20358860.3400 2639042.2440 18280820.5300 3615849.0230 3230284.5410 3950710.7620 8541039.7880 4410120.2530 2423495.2840 4691308.0820 1372327.0800 3282698.8220 3729759.7450 1502963.3820 16550275.3500 3605936.7890 34038863.5900 15522274.6500 3300948.8730 9801655.4730 1992108.4180 773550.6588 5491451.6820 9324740.3090 3520000.8910 8550785.2480 1279076.7700 1553031.0380 8289338.8320 3351431.4840 3882138.8750 3846017.0210 6405659.4300 8613302.2990 4594543.6210 5899025.5730 7895702.8280 4591312.3140 3724122.2310 5577124.1750 3748900.6140 6493138.9070 9808306.4870 5870507.5400 3182680.3820 2401019.3140 16889805.0700 2681719.1410 6767664.6570 1586109.4360 2689760.2310 3985055.6000 8119179.3430 5075271.5150 24725179.1800 1229274.8600 5459869.9480 2758214.8390 3609373.1850 6196667.5760 8372880.4990 1542398.4040 8789415.7780 3339517.1200 5035233.3920 1941609.0810 8600737.0660 2308656.5670 2318853.0590 5758299.4650 12084044.7900 8023025.6650 5635895.6490 4733184.1760 2992157.6910 6509826.9450 N-Hexosyl Valine 17543064.0000 1169857.7040 46528246.9500 2887981.4400 5032232.4410 244242.7797 11772433.1700 5668195.2540 928611.7564 700642.1638 1530317.0010 5470088.2100 9299067.8840 404687.2742 25403321.8300 867093.7171 106402628.2000 71430787.0200 409515.0628 3516410.6660 6887783.6750 1017351.0240 2996601.1930 17141666.2700 3794879.5990 855812.2991 1304753.3320 882984.6622 9218538.2210 3452120.6360 4727034.3870 3840769.8200 6258575.8590 13094684.4300 3146320.5350 6839875.6980 10002744.8100 5034166.3390 1440058.0000 6677657.2880 3161114.8270 7011937.7610 11080854.5600 9248744.5280 422117.0487 2031936.5470 17471186.9800 1267234.9480 9518017.1710 8294002.4840 2783005.6740 3564227.9700 15061513.7500 2907735.1740 47081295.9800 514280.9918 744018.2270 6175037.3570 4399457.1160 2222874.7260 6957728.1490 3534896.3320 3369282.9500 2078737.8290 8473127.9260 1280915.0200 3953499.3750 3726821.9840 7668348.5370 9722204.9760 10550937.8700 481992.2027 2396206.9520 7234238.6230 469356.1863 508776.9770 Niacinamide 17565723.5000 11253167.7200 15095014.5300 13676388.7600 20898947.5600 16332890.6700 16926778.2200 18165763.4100 18961531.9700 13341743.0300 15231065.2000 13354727.9900 10746001.0000 11035903.6700 17326379.4500 12240413.5200 15798633.2800 13043979.6900 14854334.6800 22074474.3400 13104989.7900 16385024.6100 10199403.1200 13124860.8500 17087488.5900 12118123.9100 13987527.5500 10052066.7400 13562431.5300 16206644.2000 19557903.4200 18402904.2300 23026640.6600 40889892.4300 22919055.1800 16667445.9800 23872196.0900 17875277.9900 22133363.8600 18201909.1200 17558508.9100 14753400.4100 12133810.5700 14745054.6600 10628709.0100 11838580.6000 12702016.8400 13248762.6000 11620252.3500 16792128.7500 20466047.9800 11346935.2700 21322480.4900 14934875.9400 14338112.8900 13682196.1400 13600335.2500 48415263.4900 24921439.4600 22544768.7800 17036950.4000 27440525.8700 34905563.7900 15953095.2900 20159383.9000 14156624.5900 11177644.9300 23895368.0500 18694601.3100 10811565.8200 12101114.8000 29501243.5700 20031290.0300 9599099.7270 16376996.4200 12143461.7900 N_N_N-trimethyl-5-aminovaleric acid 136472021.8000 115464595.7000 124722222.3000 164069319.4000 176692034.9000 181527473.7000 208345825.4000 148775233.1000 122211860.9000 150288611.6000 214279379.0000 159707991.8000 238041737.2000 98390220.2300 166450656.5000 233768155.6000 108103903.8000 173600697.0000 166959253.9000 120105745.8000 121804215.2000 184036430.9000 209829198.2000 195883948.2000 207521086.7000 184306423.5000 175679422.1000 109620235.8000 189266300.2000 192990992.3000 201277437.6000 253474597.6000 106789548.3000 169051292.3000 256885536.8000 151019373.9000 198771576.5000 148591133.3000 131088292.4000 130229781.9000 188842594.8000 169751303.8000 172876810.8000 128842485.9000 204913993.6000 196012209.8000 143619380.4000 178629238.1000 188016436.3000 160425372.2000 231551126.0000 97004212.0300 174446893.1000 239245673.6000 153078513.5000 140721947.0000 172089461.1000 144542570.9000 91232650.6600 222535622.3000 183590344.0000 225988881.3000 209232787.3000 196145183.2000 219864119.8000 119920287.1000 169215805.5000 205180484.4000 233469414.6000 220795859.9000 121608775.7000 207233169.7000 239174897.6000 140921313.7000 211074253.3000 184399570.5000 N_N_N-Trimethyl-alanyl-proline betaine 229260452.5000 49107456.9100 145920167.5000 73372116.6600 24517644.4600 74468482.1700 57632508.9700 48487378.1300 79654714.0200 69500232.9600 133492957.9000 132214372.2000 155805177.5000 108878771.1000 143963860.8000 106424008.1000 96337325.9900 219086982.6000 101373212.2000 110997960.0000 78627834.3400 79367693.1800 49733927.3700 68692801.7700 82365638.1300 52512630.3900 127175086.5000 114149827.8000 59168663.9900 131304293.2000 120049348.2000 117487914.0000 85922019.2100 120933574.0000 97142141.0600 110987277.9000 96621946.2800 137804853.0000 143491965.2000 68344023.2900 78056816.8600 76895336.5200 80785264.2800 35469634.3500 28993823.9800 149119382.8000 78264236.0800 69496800.4600 184044222.9000 175053135.1000 58871730.8800 105007656.9000 135256997.9000 302921551.1000 68634156.5100 30967906.4000 125637656.9000 343186746.2000 71471807.4400 156084274.1000 128621754.5000 86836534.9400 127994481.4000 48931851.3300 355699368.1000 76224927.7400 70097278.5200 200760833.7000 133601397.4000 93949840.9100 272934601.1000 94733197.7600 220195601.3000 116203087.2000 54972489.1800 176884248.3000 Nonanoylcarnitine(AcCa(9:0) 14482842.6000 5394568.2010 25263251.6500 10850669.4300 7308605.0750 14048177.1500 7758404.1800 10087646.7700 8093962.4250 5559599.2190 7983843.5450 18531441.4900 14596669.5800 9856686.1000 14603475.9300 16429613.4900 10559243.1100 28388443.2800 8935449.3160 10240111.8500 3722194.4840 29500393.7100 5601563.1520 9896132.9030 8224870.6060 3930606.3770 10214584.8000 3769046.3590 7705143.1390 5992548.6310 15475484.9300 7247538.5080 5880283.9490 17370765.5400 14734792.0600 5944653.9260 18304599.7900 21705773.8700 18055464.3400 4115169.7990 21746809.4800 10082481.5600 21152214.1900 21488145.1200 6670077.6550 11290438.5200 9587130.5980 9575934.7120 6235946.7780 27005882.2200 19107802.5100 11513386.7700 23786902.2700 26900032.4000 12299440.4000 29093994.1600 30880809.7900 56330486.3900 9055928.9480 63332210.2100 30463916.6200 32282718.8400 36438550.8200 15375926.9400 34239563.7000 16706089.6100 30419307.6000 26491068.2300 59030093.6700 67025625.4600 38128284.6300 55101763.5700 50503296.0000 26179372.4200 50672261.8400 26667407.2700 Octadecanamide 45538443.8900 42635092.3700 48728278.5700 61083078.0700 47585304.8600 46248956.1300 46607122.1300 49101765.3800 53301291.1600 43368343.9200 41430736.2900 49019785.9400 51128153.3800 44710626.8600 45215922.6000 44900161.8200 49807657.4300 37615510.5000 47164724.3300 41941058.1600 43367666.7200 45442755.8300 45356582.3300 49276167.1000 46220622.1800 44067036.8100 49791172.6600 41487348.4000 62597878.2800 58434197.2900 42172551.0300 45711972.1600 48041400.2300 46001509.4800 41714981.9700 47172642.0600 39417114.2000 40858691.5100 67197779.9900 37337291.3700 43392173.1100 43001005.8300 53917489.9600 42641590.2700 43858163.0000 45467242.9800 38408841.9700 40966889.6000 40259540.2100 74164488.8500 50569468.9900 54562038.1100 50804623.0100 45676454.4300 44214512.8500 41029914.9700 38504196.2300 46628031.8200 39103422.5600 38609960.6100 47282560.1000 62261506.0100 50751555.6500 43607732.4000 49018813.4200 47556024.3600 56867602.3600 55545948.2400 52767740.3500 52911307.0600 36934529.8200 36372718.1700 40891100.2400 79057226.3700 66789377.6200 47836151.0200 Octaethylene glycol(PEG-8) 179025107.8000 185235893.3000 173804866.1000 172392853.6000 186835220.4000 179008102.5000 166801125.8000 172755028.1000 178786450.7000 172267528.3000 169626333.1000 170356968.0000 177128217.1000 182587748.4000 174898381.3000 183958232.5000 169872341.7000 178764176.6000 169945983.8000 183971912.5000 175128231.2000 179568863.1000 170596196.2000 175680554.7000 178889931.6000 189180643.7000 181953691.4000 163465620.0000 181149928.7000 175966017.8000 167780269.3000 174861655.6000 186136285.9000 170792930.0000 173415795.3000 169839776.8000 167017264.6000 165505053.7000 173777961.9000 173617748.3000 168686396.0000 168872394.5000 173338378.5000 167963577.9000 179269124.8000 174621612.9000 165333407.4000 172984227.7000 166278572.5000 175227743.5000 167148782.3000 174837628.9000 165115171.2000 170908637.6000 180448273.5000 166930136.4000 171600254.2000 163020867.9000 164777676.1000 167013373.3000 174700207.9000 171917920.3000 174337672.8000 187112946.7000 173711231.9000 176100764.3000 170360735.4000 167890661.9000 187460128.8000 171219456.8000 165416649.5000 164949060.6000 179423536.6000 174522304.4000 166976962.2000 182165080.4000 Octanoylcarnitine(AcCa(8:0) 103754721.9000 54267255.6600 114657678.7000 89756824.8700 58138854.2600 54382373.2000 92740200.1900 60841155.2500 75471866.0800 41318161.6600 64784270.9900 98538592.1100 192803272.1000 64791687.9500 91053029.1000 57379861.4100 49181368.3700 262190564.0000 58043974.1800 150850090.0000 38904224.1400 125524082.6000 30700498.7700 54210830.2400 54915214.4000 41416831.0700 75356501.6500 19193249.1800 77595633.2800 31049711.2400 74735097.2400 100037588.0000 31303541.5700 123683838.7000 104860146.1000 22047278.4300 177891320.6000 58904175.4600 97419374.9300 31187852.0100 44362534.6100 74287575.5300 86213101.0300 86028059.3200 52052079.5100 124806406.3000 78981697.1100 59811341.6300 34773081.8500 57785842.6300 211630502.9000 44215303.0000 90104390.0900 118760228.0000 40555924.6700 128254069.7000 84834458.1300 352966898.7000 65068606.7000 90770035.2700 132813340.9000 147188662.0000 108724669.8000 80135307.4100 215137042.3000 124431379.6000 118167400.6000 110362499.3000 86595617.2900 359265213.4000 104859948.2000 187683783.5000 138845289.9000 53212570.8900 125600521.1000 110185088.4000 Octenoylcarnitine(AcCa(8:1) 154335111.8000 86352686.0800 165159021.2000 139911934.3000 127121515.3000 122723153.0000 101800094.5000 130126231.1000 126958136.5000 150349163.4000 71286775.7600 259759693.2000 298272093.9000 249784065.1000 192284545.5000 139829155.9000 104630064.8000 195743779.3000 188136819.2000 303594320.9000 91949878.5800 153395755.0000 153878781.4000 223302780.7000 181309020.2000 83754358.9900 159275686.6000 196766865.6000 189049151.7000 109626304.5000 232443432.7000 357821678.2000 276239766.3000 245533988.2000 231821473.2000 90516115.6700 261465062.2000 185679833.5000 196461504.5000 60347714.4300 151115309.3000 138925460.9000 124721305.8000 156287187.0000 64137656.1600 179471737.4000 190398971.9000 179077924.6000 87613052.5900 156736291.1000 264462915.3000 227144793.8000 185307077.7000 178787628.6000 67901852.3400 227477832.8000 120582998.1000 232321738.0000 95615000.9200 189204558.7000 149374704.1000 135131732.2000 188588415.9000 72705778.7600 203101660.1000 194656824.2000 195769717.5000 101910882.0000 250144474.1000 321458766.6000 300102739.6000 284343637.9000 213413488.3000 100876975.4000 307566240.2000 167102740.6000 Octenoylcarnitine(AcCa(8:1) isomer 54209800.1700 24299939.7600 47170723.8800 43377362.3300 21150268.8200 25015937.7300 19855358.5600 29350242.0400 23564770.2400 20662938.7000 18565526.5800 84135387.9600 76966827.2000 69302949.1400 46728869.5100 26528132.5600 28303365.8000 46084859.4300 59379630.8800 102216945.5000 24467691.9100 52486970.8600 33046392.6300 45843392.7900 31148363.8700 12188667.7000 34293507.3200 33002909.2000 36173176.0100 22772486.6600 62182421.7900 66084277.6000 71263065.1400 58340467.8500 40240109.2400 21994455.3100 66995569.6500 46492439.8600 53899561.3000 18457343.1600 32253612.8900 27273318.0500 22439916.2700 32057300.3100 9247094.5780 36169161.4100 34016965.5600 23667056.6700 18977304.7200 45157328.1700 59361961.9700 56357867.9900 41033576.2600 32692095.7600 18281575.9900 50313613.4200 34822516.1200 86522686.5500 32217555.1400 57226614.7800 36465143.9300 31972514.4700 35483555.2200 12761575.8000 51755737.1600 50626150.3700 42778648.8800 29626984.3700 79168801.6700 84644682.0900 89610070.2000 85147796.6500 41140178.4700 34814464.8400 69886918.9200 58990938.5700 Oleamide 10796189.9100 13406435.1300 133089220.5000 156342660.9000 83069032.3800 14590860.9100 25240133.8200 14356431.3300 16818883.8600 13338560.5100 11124347.9500 65254793.3800 27278514.4800 18069118.0300 36243136.5300 12508498.4800 12552200.3300 13546007.7300 18771502.7500 29494209.0000 30575627.1100 26176899.1100 32347447.1000 15050971.4900 20931720.1500 13501593.1100 11125576.2700 13489654.6200 291325326.8000 123654659.4000 22277187.5000 13841333.0400 11663337.2300 40221681.5700 16225159.4500 13917117.5100 11924497.7600 10477479.6800 124162310.3000 17125548.9500 37700478.6100 10492165.8000 28972856.7700 15400040.6100 17280141.2500 17977336.4600 22071121.5300 12913986.2500 23086450.4200 729153001.7000 54939961.9600 23265354.8800 13399790.7100 21584100.3000 23427326.6800 18997589.9200 22530972.3100 27900665.6700 12214045.0300 42660973.5700 12444947.0700 694059694.5000 63912824.2400 10808794.2600 20127476.6400 27440575.7400 29575084.6600 30708801.0100 25187284.3500 32134498.0300 16081121.6100 10759548.2500 10072305.1600 323606594.2000 179694675.8000 16864847.1000 Oleoylcarnitine(AcCa(18:1) 119854831.6000 42051369.0800 59464882.9100 71375704.3700 48307055.4500 59920765.2800 80073618.3800 42070414.4000 72924938.0000 70568116.1100 70315762.4000 68226571.1900 54679785.0300 67010542.7200 50537213.7200 32219275.0800 57215979.7000 68747291.8400 59997615.1900 138969037.0000 41989451.1200 92777685.4700 55543391.8500 52045256.7000 76714033.4400 57281064.1200 46829314.0600 35524968.6400 98083123.9100 58076787.6800 56517768.8500 52270987.9600 50173848.8800 67764301.8700 50984131.1400 39616985.5500 72918294.7100 70743844.4000 104884625.8000 42103224.3300 43008621.5800 71006106.8300 67507515.4600 87957588.5000 68842233.2400 63678598.5300 52395140.3300 80944108.7700 52006041.5600 48550379.1900 57223845.0200 40571756.9600 56732345.2800 45795238.1800 61174079.8400 72893221.0800 67620365.2500 294201073.9000 87806253.2100 86880298.4100 97088618.6000 101922877.3000 112202808.0000 86959897.2700 126793339.2000 116873907.4000 185405252.2000 168137746.6000 79019689.4900 235646787.4000 89854962.2600 132628335.5000 89023995.9900 100293385.4000 114467065.3000 185099039.6000 Ornithine 3434602.8850 3566475.8560 6571826.6840 4646781.7980 4756342.9420 4767785.2670 4353523.9240 4985342.9500 3922948.6250 5351731.0210 7200836.7240 3842691.1560 4541223.3300 3935828.4590 4796758.2890 5620367.6330 3972304.5330 4230374.6560 5721963.4060 6108096.6670 6573499.1560 4056890.7380 6355211.7560 4915375.9480 4782086.9150 6482970.6670 4580310.9550 4594675.8460 7409932.0880 8918047.8310 6610354.1050 5303772.7790 6648464.6700 4915598.5740 5856264.9440 6002826.8040 3974240.9540 3941742.4890 5300122.0050 3440427.7720 5770404.6410 4680967.0040 4452901.3470 5103148.7850 4950654.0330 3988916.6660 4396883.0440 5641023.1010 6603081.8290 6016005.7240 3866179.4780 6415012.0550 5225676.7150 6242913.8760 4788662.0180 4604361.4480 6121494.2990 4215951.2240 3935342.2800 4589202.2090 5252161.6710 3611138.2320 3905256.0090 4055314.1530 2964828.9550 4101064.3930 5438390.1390 5551440.9850 4809772.4400 4357137.9450 4285298.7650 3631801.1880 4798300.6010 3584881.1250 4217484.4070 5597611.1100 Palmitic amide 31718982.0800 30758824.6300 59163527.6900 52962902.6800 38187889.8100 33406297.4800 29537589.2300 32161341.4500 30334992.6500 33125115.1100 26187556.9500 43257889.0200 32445613.6900 29650773.9600 33967304.4100 31126499.7300 33034270.4900 25393252.2900 31846200.1100 34597565.3600 33009506.0800 35885415.2200 30006033.2900 27806814.1700 28436917.1300 34090920.0500 30145629.5700 26247659.8600 85121648.0100 56893538.7300 26732539.7900 26824345.2500 36219768.2800 38523832.7400 32394781.3900 30813288.9500 32523147.8700 26312930.3300 62136483.9800 35527572.6100 34108428.3400 30239157.2200 31854060.5800 28918694.3400 32698936.8400 29083946.7400 29557642.3000 27521823.0300 27181412.6800 146516266.2000 44864912.1600 38966279.0100 29995702.1100 28680600.3500 33068497.0700 33890241.2600 25943400.7200 33694820.8900 27433008.7000 29628278.8200 27753939.7200 132217000.9000 54350861.8500 26424579.5100 30702399.1500 30870241.7500 34057297.8100 31468498.9700 32294983.1400 31021545.7700 27374818.5600 26991798.7700 30455436.4600 93516115.2200 58893543.5200 33254527.3600 Palmitoylcarnitine(AcCa(16:0) 90029198.8900 57951861.6000 65093626.3800 61925069.6400 48442207.1500 61541878.3300 64320108.7200 40358156.0100 58976838.9900 62481649.1300 63128347.3700 58142138.4500 49553476.7400 61624621.9500 54143624.3100 34880761.6900 53486689.1900 74342495.1800 49537931.9100 98261665.8800 47070233.4300 80293639.4100 61712807.6900 53071031.8400 84681067.7700 52198175.2300 68575877.4200 36841572.8700 85770866.9800 60694406.8500 57352263.4200 58909443.9800 51327409.9300 58276053.7500 57270641.2500 38389185.8200 68784071.1500 67466727.5200 86849713.0100 54389975.7800 56416218.1000 65136678.2600 61658836.0900 100060461.4000 72201724.1500 62993211.7000 41172955.4200 86248868.1600 49031335.5800 48592812.2900 51051234.4500 48411665.4700 50559298.4800 47430471.8100 62930364.2400 75814687.1300 62338976.9300 184618994.5000 79633650.5900 80390983.1200 78708495.3500 68238625.1400 104175524.0000 69277098.4000 96800878.9800 84553797.5200 130375812.3000 115995822.6000 84839197.4900 165526615.8000 79968289.1100 101703667.9000 68826481.4700 73598740.8300 99237872.7400 143427328.2000 Palmitoylethanolamide 3295252.3850 2048016.1540 2113689.1780 1987403.7100 2021268.3780 2094023.0350 2310827.4310 2184333.1870 2536412.9020 2028028.0160 2305854.3670 2280587.7580 1985649.8670 2354181.6960 1946354.1160 1927709.8670 1939211.6210 2042902.5240 2497333.8480 2725817.3390 2104410.2400 2609625.8580 1949066.3470 1778867.6040 2622258.8180 1690099.5000 1913273.0280 1500989.3600 2616682.2200 2121948.7280 2175214.1860 2037000.8920 2004926.4480 2632736.6550 2291003.8720 1857926.5040 2779714.8580 2194644.4910 2906515.0650 2334496.8370 2179228.9630 1814614.9340 2049918.2390 2699029.8800 2064836.2210 2499673.2040 2315185.0410 2145583.2580 1959983.8980 2163010.4930 2451210.6300 1884235.5810 2034807.6050 2315703.7770 2175779.7090 3063507.7710 2405869.3300 4003766.7960 2551990.1030 2292870.3430 2522342.9220 2667161.0160 2915453.5870 2299700.9340 2812295.5350 2646954.0340 3134689.5400 3121215.4280 2442810.1680 3108519.2830 3019262.5280 2752391.0610 2557406.5450 2744937.6970 2947440.1230 2943319.5940 Pantothenic acid 9221917.9980 6300140.2250 14220526.1700 7040595.6810 5907632.8390 5527448.1270 9060224.7470 8810798.1820 6863963.5830 8161082.9670 6234323.7480 4662457.2330 10457039.7200 6134394.8330 9992534.1770 4941976.8720 7673006.1920 6585783.3320 6928183.3380 6517305.3710 5023315.2610 19632315.7300 6997918.3340 4972393.8160 5321597.6740 5117405.5790 6413013.4700 6557767.3140 6039601.8010 4337615.9850 7322876.4660 7935043.2260 5652666.1780 8139472.9480 5694754.7060 9526021.3160 6436158.2500 6668469.2890 6840655.3440 5167968.3610 19844756.2100 7037750.9060 5257261.5730 6609586.0470 4922136.9760 8793741.5480 7957373.9370 5539452.6350 5183078.6170 7738635.0990 7393301.5900 6144839.3460 9372105.0540 6584345.8170 8193467.2970 4892724.8430 7854139.8360 13662271.6800 7392459.3610 21563807.1700 9619224.1740 8244675.0880 6885368.0600 4193605.7060 12091535.2900 5520304.7670 8597720.2690 5077667.0720 7451401.7600 12262448.0400 9133943.5030 12006943.4300 8584299.0180 9338808.2770 5467366.6150 8031352.6190 Pantothenol 2184339.7650 1535224.2660 6616050.7660 1887251.5710 2007121.0250 1291641.4720 3742754.4390 5103240.1720 2478601.6920 1844469.0750 1773113.1530 1510268.6620 1695661.2700 884833.4223 1715918.7640 1527723.5610 2373597.3620 1179767.4710 3338961.1440 1047213.7670 1226604.8830 746500.8163 2257954.7610 439201.7694 503569.0428 692199.4177 476798.6942 593602.0061 1014164.7920 1818164.4650 593498.8467 3708439.7050 654639.6212 634556.5735 733220.0813 738863.4147 437212.8910 1147475.3270 1458539.4030 1400451.7850 1379820.2480 671853.0368 871370.3234 882333.3472 500336.9906 1046416.4320 568331.0788 751230.8610 506340.2695 3628476.9430 1314205.5220 1230979.7400 783276.7105 739875.8220 543681.3060 659147.9521 469911.7981 552504.9572 606144.3072 566684.1564 670553.2359 3225249.9710 1760152.9610 388019.6590 1226920.7020 935868.8251 626634.9578 1250584.5930 809805.4507 876160.6169 740686.0341 467270.1536 662564.6599 1182196.4710 502206.4076 460905.7740 Phe-Glu 173799.4328 145897.2973 169460.9558 216482.7795 139590.7392 194528.7152 278727.9078 247119.2117 206677.1436 165786.0633 208597.3124 173060.7730 153146.2112 27091.0453 205043.6726 210040.2676 193955.3202 178852.7828 182580.9809 273136.8881 104200.6115 151673.0266 317700.6334 287263.2714 247512.9883 408650.8632 134945.6377 243077.0143 188580.4545 171080.9752 187900.1924 124279.1431 308080.5072 408233.7441 269750.2190 276672.7589 273169.3645 211975.6539 246007.0317 143066.7738 90222.5550 163664.7324 189620.7150 249635.7656 274377.0599 184157.5713 277912.9524 145946.0119 183307.0949 233127.9566 171866.2591 213862.8109 273218.8669 234113.8216 210451.2849 170715.6630 298638.0249 336652.6575 209967.1957 270667.6649 300886.9789 398009.7594 222822.3818 281933.9399 392111.2286 182982.3307 318397.8612 214990.8928 187041.7869 189963.0087 370387.5445 197562.3502 198296.9951 214138.3866 160799.2444 233352.8906 Phe-Gly 449245.7987 219011.4749 499391.6566 689123.5297 571948.3320 635013.1293 789083.0712 504640.5867 450294.4620 388339.0759 326811.0047 345115.0492 294064.8984 434288.0933 490657.2325 451138.0400 364370.3282 427409.8314 331565.5305 631282.7067 242306.6837 314368.9639 815556.9968 643853.0411 432450.9171 805918.5339 543829.3791 470520.7963 442500.6371 291331.1021 441779.3569 337209.7838 477567.8306 450560.2738 458578.8534 537114.8541 407379.2781 348094.3251 579650.8783 339998.3077 400666.7592 545282.9872 439562.6576 487569.1634 424125.9600 575938.5304 411742.6159 281215.6207 335024.1026 696586.7649 255295.3876 489662.4889 392214.8453 429494.9626 479821.8650 367819.1864 363433.5261 869148.8164 338959.1312 431269.2758 586557.9998 746514.9489 559064.9514 752852.3210 907324.5120 650392.1204 458033.1169 289755.7261 412277.2504 462820.1926 564456.4319 453815.2232 504734.8749 561730.0981 304934.1237 429542.6796 Phe-Ile 498588.7351 316969.0466 375622.9291 353538.9035 304496.3038 377797.0007 310067.5019 561547.0009 301195.6539 310950.4470 348113.2971 456404.2181 431165.8089 444205.0188 438396.4274 355243.7921 309810.7249 431421.1209 338759.2475 751102.2733 431448.8571 309992.4487 361164.9810 338365.9881 374489.4375 444783.6979 562413.1499 294259.5487 359568.8495 451826.5655 516834.1585 444286.0165 520049.8486 591531.3601 402956.7953 410563.0883 473381.5297 301064.2995 570235.1566 337126.5161 349722.7123 335713.1690 320697.3390 386762.6796 299085.0948 483151.1357 350384.4225 316118.6997 352287.5798 462969.9632 394286.5246 446084.0003 436578.0541 425605.0665 323516.0165 434250.7544 372049.3052 526695.6152 482078.5726 418965.2494 322175.7515 346454.6542 338458.8250 288906.6097 454967.2207 233571.8377 348965.1705 306421.1896 560658.1365 427412.4241 491915.0539 391324.5293 363122.8374 280957.1957 336120.1306 330218.0644 Phenylacetylglutamine 40697092.1300 30537224.8100 22655710.8100 58918810.4200 50733892.4300 116295315.4000 192663966.0000 52104061.5300 98797607.7600 23371593.5200 315903202.7000 25500910.1600 111451996.4000 73024104.2900 122533325.1000 78694687.3600 62246989.7200 76438215.3100 30039350.3400 31213857.6600 77749750.1900 80395957.4500 39398063.2400 87846048.8200 115365490.6000 49253081.6100 45859777.7400 76549710.1600 12974272.3800 100735920.0000 25288414.9100 172475905.6000 99350043.2800 94917717.2600 104831541.2000 163755854.4000 46635127.3300 30129989.2200 33442254.7000 71200983.3900 127801301.6000 45788661.2800 229170497.0000 221822827.3000 26355991.6500 63311712.6900 175023205.1000 16467425.2000 176901077.3000 19082358.9600 199848450.7000 80591040.8200 105337630.0000 56368863.1300 102954465.3000 37904996.4800 22844364.4800 49684440.5000 130214503.1000 218146841.5000 54001525.8200 280184976.1000 226940693.4000 38113030.2100 121951141.7000 108048012.2000 20641128.4000 214279323.9000 46393406.5900 451755023.2000 199461999.1000 172622423.7000 105974195.3000 153520493.4000 46426325.7000 44439350.1500 Phenylacetylglycine 197227.4959 407640.1397 146027.3840 248454.5571 683201.1307 1241391.6660 34199.8228 1881597.8940 240937.0160 147603.8605 433444.9406 255400.6491 455229.2029 714369.7266 430963.8757 752932.8314 326104.3230 229626.9173 17613.9460 222796.0496 318881.2692 28086.9073 11168.4613 258378.1333 252981.9888 1935273.6880 254929.6665 225453.0113 184607.1760 315201.8377 217780.6568 312005.3527 421479.4549 141527.8534 8110.2791 173641.1703 89842.3745 299552.8440 204586.9928 597624.5066 206673.7158 143486.4655 595797.2493 297362.2060 2635444.2110 28099.3528 74426.4553 29648.6435 392390.2013 694716.2100 391226.7570 746070.0408 308042.3252 179230.9660 388754.8080 204667.7177 34910.9520 351887.3165 1258310.1210 445580.4596 201291.5361 316035.0886 290475.6158 2650799.0670 308389.8023 30409.4429 171865.6240 287429.3450 590738.4678 736806.1855 498836.7043 34256.9456 303852.6499 277587.5953 270700.3215 21438.7332 Phe-Phe 1112374.1290 814123.8674 1086693.7840 938344.1283 924909.5888 964991.8767 1022297.4150 1652473.9880 1091893.5990 855082.0453 872164.9558 1225361.0920 884766.4328 1035370.0080 1095583.4880 868025.1172 1112240.5090 1169928.0150 880725.3660 1981985.9190 1062857.5130 704954.9587 929275.2138 1009191.4930 1024671.6250 1380795.1650 1562002.0870 951669.6084 888794.7463 1141484.5010 1297006.8120 1185476.8070 1318378.0560 1362262.2110 949481.1604 1214978.5060 1020317.2040 1072913.4090 1555394.7500 811153.6124 721967.4291 1054231.3820 922767.3448 1049081.4230 941666.3990 1209707.6270 755604.2763 805216.7839 1051921.5780 1128748.0710 785885.2263 1336118.4580 1323140.8630 925480.2709 977230.6488 854496.5106 873363.6572 2545625.4650 1409971.2680 1019849.2060 1189547.8560 972908.4673 1006604.4720 1262871.2230 1609209.2710 683453.0045 1027268.8220 1090331.6970 1368465.1910 1220099.1410 1116507.8600 943482.9756 1099071.7800 1229625.9340 1183187.6010 915646.9311 Phe-Ser 8720.3575 1919.3409 9204.9407 19686.1828 5322.1067 5502.6465 30382.8898 16112.6053 7486.9707 19652.3589 3770.5394 5990.8060 8886.9379 7556.4013 12980.6960 1919.3408 4509.1903 9711.5410 12650.3863 6650.4296 5438.6354 5071.0035 23246.7265 16098.4307 5412.3833 6339.2678 5745.6996 23160.6657 6409.0978 5693.6082 18579.1900 14571.5456 50246.8875 59177.1116 11993.5895 14406.8744 30626.2733 4570.6037 12592.5838 16252.2652 6467.6347 15655.8809 1919.3298 4796.0223 6282.3052 4888.2469 29807.8036 5052.5187 1919.3409 17480.1232 5352.2849 5859.4427 4343.5007 1916.9847 9203.3878 6220.8998 11374.0207 291004.5372 13012.2895 31174.6564 33911.6421 14892.6069 9149.9881 7060.1760 6178.0391 21480.3929 5286.6579 5377.0300 11855.4482 9986.5178 11560.2722 1919.3409 8971.8241 16505.9209 5122.7888 5023.6486 Phe-Trp 4844599.8120 2457783.8340 3036679.8610 1841627.0600 1879491.3320 2028933.3590 2994133.2700 3281909.7130 4078929.5570 2709007.2480 2789556.0530 4893149.5320 2558013.7230 2621627.9090 2263418.8710 1233148.3600 2077813.0660 3447501.0080 3593219.6400 5153917.5270 2825219.6420 5896767.9870 2147691.8760 2427111.0370 2763396.9990 3090776.7840 2974529.4220 3127701.0260 3340988.6970 2380443.2420 4645372.9100 2446204.6700 2326591.5030 3373246.9170 1758288.1480 2730317.2540 3375515.7840 2681142.6520 5774316.9200 5069084.4850 4286950.2780 2225783.8970 3527252.7120 4558875.2090 4204924.4230 3887389.6460 5193147.6730 2203652.9770 3743082.5480 4818015.9090 2772876.7160 3123718.5520 3488988.4150 2394018.1530 2801435.9750 3399653.5060 2888982.2990 7716545.0440 4849345.6430 4551915.8060 3017554.1500 6626837.2070 3640245.9850 5748900.2780 6161846.6770 4256785.9180 4698680.6820 4870244.6960 6659614.1960 4727907.9890 4216882.7630 5620042.6460 2936179.9750 3750736.7990 3565857.5050 4697494.4770 Phytosphingosine 275903.6268 183184.5375 155382.9461 171026.1032 155135.3263 152917.7754 186073.7697 255545.6679 139147.3059 33963.0144 235146.6061 130974.8491 189451.2239 99279.5110 263463.4874 200057.7737 201898.3810 30179.5438 159857.1457 186791.5664 217402.1893 119891.1048 188722.3996 147974.4014 173337.8899 166515.8133 194838.7096 154737.3300 155314.7463 194311.3897 182651.1993 35950.9906 45987.1124 231237.8219 170482.7431 214032.7551 190574.0345 191833.1863 206580.8962 44860.3443 185598.5802 131497.1565 205098.2831 223971.6335 246803.7857 56745.0411 200891.8615 141090.1692 63320.5004 252469.0407 223224.7650 5741.3715 21697.3115 226992.1944 168454.6665 188015.6304 48222.7084 213873.3561 42302.8903 193978.5565 199678.8251 250124.2148 170494.6439 147628.5357 165301.7766 177934.3956 201575.5730 186524.8991 116703.1249 195283.8240 50391.1367 206520.9519 178450.6880 155160.3890 26159.4810 19851.6917 Pipecolic acid 127485778.4000 234025038.3000 282777717.6000 159307486.1000 163636520.7000 125398168.6000 627239027.6000 279258188.5000 186362353.7000 133053969.4000 96023614.7700 130664968.9000 125741754.6000 112186033.5000 111421679.3000 93814388.9100 59889864.7800 114454964.2000 169517718.4000 98763664.7000 262876042.4000 305157198.1000 189151711.5000 176914702.7000 151593004.5000 515287212.2000 238088587.1000 184990492.2000 152379987.2000 86799328.2500 105041647.7000 109483677.1000 107767712.4000 110022511.3000 98181899.6400 82190777.7700 147147601.8000 148127724.8000 108476909.2000 270374863.6000 362329981.4000 162337524.9000 169117994.4000 144167232.4000 563696231.8000 241415579.6000 219724245.7000 150654822.9000 89812607.8900 104219990.5000 120482123.7000 130566309.3000 112030985.2000 83917865.2900 71395190.8800 135976768.0000 165465553.0000 104265339.2000 236136742.2000 322727584.6000 156759899.9000 184686281.0000 148637998.0000 540212228.1000 281422094.6000 166769505.1000 140768607.6000 82408893.9300 89100356.1800 105817087.9000 118192436.9000 128772319.5000 98936070.2600 61134086.1300 130043788.5000 152723615.8000 Porphobilinogen 1334588.4330 906727.4680 1098014.2850 1215105.6620 981767.4527 1070753.7780 1179221.9130 1123179.7220 920759.7445 968844.4430 1134675.4110 3129737.9950 1077071.5620 2342049.7880 1593050.6020 1132553.6780 1753787.6330 1746444.7990 1387141.7890 2616263.9430 1659474.5750 1279242.2450 2038179.7820 1541559.5300 2101666.7950 1854533.3740 1675013.5430 3589276.8860 2276315.5960 2195471.4680 4458798.8610 1926763.1470 3121633.3330 1868638.1120 2706906.7600 2656511.6650 1888143.2740 1618032.3210 1573939.2060 1369963.4530 1435049.6960 1072237.4100 821726.7994 1584159.6700 747978.8194 1314854.7420 1859224.3020 977541.7678 1247878.9190 1558611.9610 1448488.3220 1537202.0220 1193419.2760 1382666.2010 1204488.1110 1076997.4790 1781221.0290 2943313.9750 1606807.2900 3107577.3500 2004640.0130 1450470.7550 2904284.1740 1373253.7460 2662627.9440 1325248.0690 2745915.8190 1994883.8740 2602855.9380 2332885.2480 2823983.3210 2864121.4000 2092094.3050 1817031.6550 2157078.7800 3872790.8000 Pro-Hyp 8731497.2850 8956147.3130 16690533.7100 44758877.9800 59205096.7500 36613771.7900 57174470.5000 53220395.6000 64012600.7800 22598394.6500 21838793.2600 20776407.3700 10420942.7200 15799810.6200 24409096.5600 6103236.7940 37611674.6900 23500657.9100 20268062.9600 24319670.0000 17420040.9700 5674485.9090 45052691.7900 42378988.8000 50468251.0100 45806350.8800 44245617.1900 50387811.3700 15662039.3800 18407459.1800 32215596.7300 11833535.8300 20828275.2400 24551797.1900 11187900.8600 32655376.0000 16512202.1100 25613227.6200 13411429.7200 11648833.8700 9655118.1590 61791211.1400 58996874.8300 40583819.0200 48107122.8400 44545972.7600 56035631.5500 17841776.2100 18929559.6700 12766851.3300 10994793.6100 15049945.5500 24466185.5100 6670911.0910 25205269.5700 18386487.0000 20176698.5900 30496410.3400 15666466.5900 12645713.9400 61520382.1100 35985918.0700 42881212.8200 58594070.0800 60865340.9500 69378238.9000 25707507.5800 16187432.2800 11614869.8600 16635432.3700 13346226.1900 24781270.3800 10530746.8800 33397176.8300 21204941.9100 35179984.4500 Proline betaine 135627501.0000 97003124.1100 76684483.1400 117874194.4000 181452407.1000 194103882.7000 139741518.3000 78036029.6300 90165830.4900 359635531.0000 154013594.4000 143689296.1000 99095684.2600 195121697.2000 81599082.9100 85311188.5800 182450191.8000 74009224.2400 119888624.3000 204467373.5000 166949552.9000 68563312.2600 145417909.3000 269344676.1000 247734935.6000 154995267.2000 170300922.0000 158780052.3000 418142283.8000 206236988.0000 181815695.2000 151293304.2000 330862887.0000 128240338.8000 73163621.5800 289957998.2000 70509672.7600 56068489.2400 143574875.6000 98094870.0200 66604055.3600 145545271.6000 330391182.0000 261210699.8000 105578875.5000 96645282.7700 96315625.1600 405308874.1000 181450899.4000 115785039.7000 95632982.8300 317888357.6000 96286882.6100 68510578.6900 226102474.3000 73482933.4200 45427492.3400 187705633.7000 150471372.3000 91637331.1100 166177034.9000 270214651.8000 255206798.6000 149040634.5000 127724786.8000 88953077.4700 611938572.9000 223207714.8000 124638325.5000 154485050.9000 355784042.3000 108618134.9000 107419600.1000 326490171.6000 87267601.8500 66046059.0600 Propionylcarnitine(AcCa(3:0) 137351856.4000 153690662.9000 127559236.1000 112721878.7000 108934785.6000 156513254.3000 211057147.9000 216714718.5000 83413120.4600 93551467.9300 171850028.2000 153118304.7000 216506936.6000 133909692.8000 259756265.0000 159196241.9000 164267020.5000 311291469.4000 149099376.9000 232814257.4000 207165332.1000 121760490.9000 243526417.6000 153763722.6000 199481468.5000 207415024.4000 218377926.8000 68367595.8800 178010303.0000 161846193.8000 277317777.1000 256562445.3000 177463607.9000 251488883.4000 216883446.6000 234104427.6000 172375959.8000 131093038.3000 175176482.3000 142710602.3000 214302782.7000 155769685.2000 136147981.6000 263327146.7000 212783284.6000 280398851.4000 75002500.3500 137883887.8000 183422534.2000 242049865.7000 191756090.8000 154958330.9000 228960690.3000 229580876.6000 247691235.3000 166278112.7000 150024147.8000 781234696.7000 309164310.7000 423707336.1000 323401699.5000 155741843.5000 398167042.8000 162919435.2000 304581981.8000 100056046.1000 233599558.9000 189405050.4000 636560344.0000 365795765.0000 192860781.8000 366703314.4000 207951055.1000 257879344.4000 308316560.3000 243818189.0000 Propylparaben 1.1259 101094.3836 1.1258 29316.4255 107883.0950 96003.2616 60926.1521 234486.3715 47579.5229 180491.9103 17652.9014 81199.9690 1.2521 79158.8523 204346.9695 31036.6828 82682.6776 149807.6101 1.1258 40403.5284 98376.6474 1.1258 38471.6165 1.1258 67981.6836 74378.6087 160488.2909 150707.1425 16162.3120 111091.6900 30115.7597 1.1258 29449.2726 43604.2426 88354.5731 130427.6965 132105.1725 1.1254 89158.4103 51013.2824 70654.3903 137049.7862 1.1258 59529.0061 35689.7084 11780.6097 50584.3440 111351.8611 67119.3033 19286.4703 53036.3860 202749.4269 83648.6336 22543.4756 136781.8403 103323.5127 69921.4763 40635.4479 42061.8654 1.1258 30257.6134 1.1258 59534.6352 45689.2664 114108.8951 281162.9845 1.1258 1.1258 14292.3204 93713.4894 109955.7348 27142.4617 28252.5230 130391.6702 1.1258 1.1258 Pyroglutamic acid 168020477.4000 94102945.6000 95966340.2800 94854654.6400 88823467.0500 89206912.6400 101351377.9000 92966607.6400 95372519.6400 140854116.1000 99539218.2800 99894988.2000 120883368.4000 77459786.0200 89467300.6200 97490326.7400 85863465.7000 91002557.0500 94949550.1800 112325084.7000 98893460.2100 94990935.0300 88168534.2700 85334470.0400 82187061.2400 91100925.6600 79410008.4800 114006667.5000 97047465.0700 97882563.1200 101060891.0000 95400169.6500 103696806.1000 142805141.0000 100633009.1000 96492397.2800 105320255.4000 97514165.1700 102244168.5000 98606028.9200 183399986.0000 121465213.8000 167896180.2000 108115378.4000 90647673.3200 83982926.2600 106269835.9000 87559444.4600 113422743.1000 105500213.5000 164833556.3000 91252677.1700 96114334.0500 106554320.4000 92305545.4100 169080019.2000 117925682.0000 123127836.9000 99730937.5600 102027058.0000 100696260.0000 117167607.1000 98283129.9200 87681582.8600 95370628.0000 127963260.4000 102602262.1000 110098441.5000 104913517.0000 104839378.6000 103193021.0000 105376846.1000 111582639.1000 92743744.5300 98074311.9600 92750988.0500 Pyroglutamine 91683301.5500 82321404.6200 62171121.7400 25696417.5000 29088531.0100 76208591.9300 37667392.6900 39726590.9700 41402893.0100 45039424.0700 63502881.7800 145752507.9000 54974837.2800 98422155.2600 52973725.2400 70466083.1100 35997691.7000 25068912.9800 62796733.9000 94952973.5600 99006196.6400 53451495.7100 25412524.1000 31777060.9500 75780631.6900 33994070.6800 40911237.6100 45691883.1200 56848769.4900 61959715.3300 158434101.5000 51744484.9800 111282651.1000 57075412.6500 76808880.9800 40312835.1000 26056648.8300 65032550.6700 84521870.2200 100320452.1000 64119037.0700 25434405.3800 32784653.3100 71378508.7400 35011485.5500 43987154.5900 43148802.4800 51491572.0200 62127833.0200 157156719.1000 57629819.4900 104210421.2000 57405485.2200 80580321.4200 40629370.9700 29651133.8100 71305483.1500 108064446.5000 108975232.7000 69992468.9300 27535476.8200 37134002.4800 72055639.6900 35881670.4100 49819050.7700 41276572.9000 60399967.2200 73673925.6500 173323315.2000 65116323.6800 120629675.9000 62514781.2800 86056693.4600 47569586.2300 27605792.0200 71861755.7100 Quinolinic acid 769528.6109 284571.6681 384124.7132 680815.2771 433918.1561 830930.4361 449114.6365 47363.6691 449280.9402 424344.0931 399442.0538 465430.7659 465987.6898 451314.2925 484664.9441 583731.1880 406694.6337 480677.5242 996653.0002 628914.9988 500625.2585 596735.2406 1117479.3770 609512.5829 19100.7489 290182.4829 514493.2463 314194.0241 754011.1258 464600.2145 883780.1922 564903.5598 656441.1552 950359.4489 548207.4459 557392.8224 20894.3145 1229328.2580 593138.4405 588060.3776 593161.6457 759065.0167 537488.5948 536928.7703 458227.4970 486156.8430 550528.9289 583390.3388 317656.4277 509878.3197 798590.1755 523042.4005 784737.2084 533705.1866 507677.6969 700785.2526 926916.6544 745544.1424 626154.5514 669295.8480 1016285.5340 611556.5709 53216.2043 639178.4485 582942.6725 445229.6576 715027.4207 547227.0278 1009027.1530 599416.4037 22269.2203 30493.5165 813936.5225 668646.1035 704325.9736 1300080.7960 Ser-Leu 279264.3748 222382.1651 452090.5790 405775.5567 415244.7906 210577.1867 435435.9127 389147.0798 296885.6316 283480.7348 367340.0462 253859.9734 328453.8384 291166.2749 481045.9609 484458.2429 272474.6620 614280.7796 380743.6083 435829.2797 252577.9021 310111.3434 321103.6240 328706.3079 197117.5756 382600.0804 321168.8344 295485.8689 356763.9445 350065.5966 358692.9572 357543.8465 526511.1667 1039537.9020 689148.8107 462813.9208 646181.6714 375899.3615 474560.6527 265898.3052 428299.1578 256998.0894 302082.6126 301424.3399 337113.7368 397715.8559 365118.1181 334650.1875 398025.9285 419213.6360 388213.1527 313139.9902 490101.6615 627510.6484 398509.1712 563218.8719 493869.6322 1103208.5200 465695.6230 511326.5119 339008.2436 602658.3105 273408.6016 432938.7020 482638.6879 290543.9772 438933.8645 485634.7898 293134.7474 446130.4459 350593.7442 522674.8150 486082.0557 235032.1690 499338.1593 299719.7735 Serotonin 6638109.6240 4325514.0790 11189906.2700 5276134.2920 8332247.1680 4955010.5680 13963903.7000 19013248.1700 13010215.4300 6285361.1960 9049297.1690 4105308.5420 5630318.2400 5904696.2760 6877633.1320 3119670.7820 5040638.1750 4953848.4880 3328159.2180 14368505.8000 5086689.2470 11700165.7300 4946398.5860 6052009.2420 4539542.7180 10081311.5500 16681362.2800 8226073.4510 4086895.2310 11460572.1200 8017631.0610 13771550.7700 33032208.8200 34356266.8900 15960144.1200 18753037.4200 14490251.2500 12174353.9200 13585690.9700 7547703.7330 11880891.9100 4256700.6030 5458166.7980 6409416.7200 5646677.5690 12470964.7000 8214568.6360 3952085.1400 12119804.0800 5743175.0340 6167986.6670 7322402.0160 9601314.4610 5568108.8980 6399793.9880 4205555.8880 4102228.4260 58828476.3300 20556483.2200 30992791.5700 13996768.6800 28133206.2100 9046705.4920 17997875.8300 33522945.2600 7587678.0720 8890207.1950 30568809.4600 8543243.8420 7126995.7470 11265321.2500 19121599.6100 10541639.8600 5009459.8080 8953506.4440 3836309.9400 Ser-Phe 92841.7816 92989.5436 100824.8984 90002.2303 91281.5900 47655.6000 87874.7290 126517.7145 95337.1244 97925.0109 78476.8002 76762.6420 41070.0390 66189.7597 54350.1978 50648.6612 38677.4399 84224.2201 12430.8224 123054.8603 16865.4078 35902.3122 57681.5098 67915.6944 18787.0963 114356.7048 89815.2704 84407.2380 25106.3542 62706.7496 92517.6252 82270.8332 159362.3212 332033.5395 97919.7168 89645.0136 63104.1602 73528.9235 134999.3487 67871.5925 67247.7926 37168.0563 43554.5612 28360.8410 13352.0811 44270.0148 61157.7957 9060.4142 22034.5444 86101.7147 40458.2657 55640.3249 74433.6694 74462.5800 26609.5743 58964.7488 48879.1463 389442.5528 207588.5657 143547.7240 70884.4773 202770.4653 60567.6144 108523.4373 188216.4296 40658.7629 90535.2530 48191.2860 55762.8804 51585.4310 66476.9718 126786.1634 75401.0981 38761.7516 109646.2287 50586.8260 S-Methylmethionine 2297879.5890 624233.2675 1389009.3930 2527010.7370 2694608.5720 1323330.5120 2163540.5240 1154248.4620 2899055.2860 2173345.1870 2123588.3940 2134443.8760 4923955.3140 3476843.0710 1704116.4290 1595579.6330 1002671.2690 4833302.7280 1598499.3460 3087417.4230 1023842.5630 2200776.2580 3360799.9510 3883575.2120 3176716.2980 1065099.8020 2609112.3420 3091676.7130 5132186.9580 2968091.2260 2684174.6150 5693778.3970 3080783.1840 3777391.3370 4020705.5220 1648895.8490 4291889.3190 3235771.1630 1977770.9040 782229.4912 1495923.8650 3696171.4990 3858809.0760 3018172.5140 954657.6386 2977899.8130 1819774.1340 4746279.3550 2363417.2500 1650896.3130 6003951.6170 2387378.0080 2047303.3270 2288927.9570 820123.5538 3955133.0870 2018510.2620 4791661.0110 1206789.7750 3524459.9260 5345138.0360 5105742.0850 4563448.3840 1268213.0590 3926681.7490 2722135.7610 7934501.2670 3201354.9280 3598504.1680 8693490.8950 5055731.9740 4431409.5960 4923464.7050 1407429.9600 5026112.1880 3458123.8220 Spermidine 2668620.3500 1243281.4880 2765898.5560 611062.7295 1552063.6310 1429589.4600 693285.2965 1493995.1670 3046954.7160 732605.6688 1405184.6950 1795672.5200 1577239.1770 419339.9053 1933381.3950 2340061.7040 504836.1808 763397.7398 1325228.1600 2174747.5350 1368604.1150 1435224.5640 303984.6816 409484.5940 339035.3286 971757.4669 1429715.6150 1709787.8530 855547.8007 1174553.0390 738509.2168 1330410.9370 1201193.6160 4078178.5370 2866481.6360 1050483.9500 1103771.2630 1089895.3460 5000231.7440 1231166.5630 2403181.3560 343791.3684 2514453.4880 1637041.5550 717929.3866 1848282.1100 2937721.4850 874758.9223 1327322.5200 1117924.4460 2006865.0650 1128329.4050 2894909.2660 2786596.8450 911617.7667 1136874.3460 1695203.0150 5964386.5890 3459697.0390 3688080.0870 1245135.9340 2064852.4070 1717592.0640 1347984.9520 3504083.7950 2890024.9420 2109974.6490 2603597.6240 982209.6416 3028061.3470 1391903.8680 4184696.1340 3052593.9190 997448.5261 1259706.0230 1046648.0800 Spermine 449134.4186 325315.9861 693292.3772 116086.3455 935823.3096 347144.7518 248255.9308 1008405.7320 797743.7849 409178.8392 264422.8045 323813.6742 169964.8809 408491.7042 377617.5419 244942.2979 130551.5300 246593.1787 395065.4407 462644.5429 355557.5460 580510.5830 162445.2713 210161.2268 229373.6443 548058.0935 1187683.1900 524212.3194 288814.7931 988338.5335 719678.6932 620841.5418 971134.5342 5901360.7330 693716.9484 517215.2157 480266.0592 777906.7796 1942006.2160 560572.3021 667673.7149 44076.1281 445477.9925 238476.4524 246847.7198 417843.1116 561558.1732 348852.2063 320623.3630 201196.5727 191701.6514 239718.0844 580847.5536 387219.8010 279353.1771 287559.6059 546108.1733 1848395.3520 1131483.9950 1467152.0120 159025.8475 699641.0028 319890.6245 326384.0341 1476791.3270 560336.3804 491618.5923 1458866.4400 435517.7348 477952.5942 263159.9304 1273776.6230 559057.1493 303654.2614 478692.0602 447401.0360 Sphinganine 2103178.7330 1637747.3820 1988317.6820 1279080.4800 2015251.4840 1698336.2550 2088114.5450 1791125.9740 2522944.8610 1621508.0710 1529288.1240 1262092.6210 1012167.8080 1206340.9010 1397565.7530 1127704.8410 799226.9186 884821.8245 1284581.1970 4717240.1440 2068095.4950 3387247.0550 1678107.2900 1267556.3670 2423978.6610 2178546.3460 2223032.7070 1345166.0320 1360525.8630 2036141.9110 1724979.0850 1756511.4920 2862851.0820 7235591.8680 4396614.5350 1585868.5320 4014974.3470 2230659.8560 2619835.1450 2950216.2330 2295392.3830 1048062.3820 1427320.7440 2120442.2480 1935802.4640 1718319.3640 1371198.4920 1197510.1720 1348379.1090 1409281.7600 1079502.6140 1119383.8080 2106272.6680 1737119.0640 1607304.5540 2218888.5000 1387509.7560 9925869.9640 5070487.2810 6913878.9080 2376468.4180 3771387.7510 4263199.1740 3603932.7090 3519493.1140 2977059.9090 3711660.4040 6354905.5750 4400691.1020 3077650.1060 2692346.8670 7607753.7140 2841087.7050 2114548.7650 3298827.8350 2685423.9960 Sphinganine 1-phosphate 6850973.0690 4288773.7290 5691176.6700 5238802.9630 5048832.2380 5495022.2080 5082418.8880 6516108.3230 8245807.5970 5056094.0960 4406932.0820 5657945.2760 3752331.1570 5253703.8410 4355447.5240 4440513.4360 4889337.7690 5148152.4650 4771080.6370 12608860.4800 10926816.4000 8323444.2900 6462370.1650 7090470.9960 7443659.1840 9094641.0400 9532385.0040 8419705.3160 6826318.1660 6769937.4910 9646398.5700 7450098.6000 9254892.8260 10969720.0300 7558708.1780 8239759.3080 8705028.0890 7649568.2220 7908962.7340 8579868.3000 5282302.5760 4955691.2760 5252654.1740 6011987.0750 6535810.9180 5910009.7760 6207926.7530 4497660.4070 4661759.6400 6227101.1310 4316471.1620 6445491.6840 5649467.5740 5055778.7970 5321654.7950 6886589.8480 5437703.8380 21433060.6700 18809937.4600 14553822.1400 10094401.7300 9526221.7040 11739111.8000 12072550.6100 14147803.6500 11764004.4600 11991510.7500 11915606.4800 15127360.2500 11590529.0700 10724838.3700 13616604.4300 11096822.5100 11663905.9700 13709237.5200 10278295.9600 Sphingosine 5626795.0730 2788291.7090 4825487.0740 3788021.1970 5677574.2480 3967417.6360 4567735.5500 4930050.5160 4668683.7160 4038292.8940 3719182.4620 3185369.0500 2297465.3620 2986746.4060 3744268.8060 2846521.6560 2827785.1320 2595604.4870 3177727.0100 10379347.6500 3338174.6530 5942736.5750 3705001.4590 3876834.3980 4282994.5780 4093571.7410 5244604.4890 3037613.9010 3312992.8300 5314315.0580 4164314.6880 3949206.0560 7500744.3140 16550255.3100 8662475.2010 3777083.4240 7209606.6220 6068056.6460 6281805.2240 4932410.9530 5007957.0410 2970514.9890 4278935.1400 3839156.0670 3222042.9010 3944997.7640 2597152.2140 2856771.3830 4341040.8150 3784543.1960 2812574.4650 3895366.7690 5546273.9870 3836222.6680 3738530.8610 4231305.7860 3631951.2080 19700339.6300 7780701.0350 9667125.4070 6737539.3840 9811101.2820 7080932.9290 6068024.2110 6756226.1760 3973017.6740 6449003.8950 13699403.2600 6708411.8850 5202676.5450 4949609.7810 10489495.0100 4872249.8910 3819953.0300 6251889.7450 4969475.4370 Sphingosine 1-phosphate 61814912.7600 38022836.1100 53980580.9500 57663227.1500 57692586.5700 54031959.5400 58273270.6300 62196704.5900 66755764.9800 48172109.2700 44297972.0800 58224152.6900 33027552.8200 51793000.7000 48381720.4600 42201797.1400 54059399.9200 52096695.6100 43652974.5100 79415739.9300 55071386.0200 54452451.1900 55875234.9600 59523503.0800 54741604.9400 63203331.5600 59751556.8400 52054795.0400 50999597.0000 53116698.4800 63128918.6100 43606507.5700 60775157.2300 71632076.5500 52341022.9900 53168456.2600 60688717.1400 52909563.5700 76259680.3300 56956621.4900 49604053.4200 61500854.5000 58174170.0200 54844258.6700 62191299.2300 53025603.8100 46864198.4200 48364819.2300 53224476.6700 55251848.2200 38454551.5200 60300386.0100 59674962.2100 48453287.7900 54559008.7700 58088885.8800 46886402.0200 99314907.0300 66169294.0300 52466762.1900 62360068.9200 64109852.8200 60756698.7000 65177385.3500 63558673.7000 52444514.4800 56961289.1900 65313997.6300 64727552.8900 48503583.4700 60739634.2000 60861267.7300 53273666.9900 56946976.8100 66989378.0600 51458576.3600 Stearoylcarnitine(AcCa(18:0) 9033802.0390 4055243.6760 5435860.8960 5473087.0700 4058640.4440 5086897.7440 5240044.3910 3836179.7300 8879529.9020 6796707.3020 9224629.2180 7703691.0110 5027974.9060 4312128.2360 3529508.6450 3809138.4040 6883185.7460 6505728.6760 5503770.9900 12516387.3300 6150517.0430 7386448.6860 14474543.4000 8431317.4640 8053158.1730 7922377.0560 8235388.7790 5728395.0600 7692202.8000 6041993.5070 6430378.5520 9217884.5170 7888724.0640 7531836.8110 6746097.8190 4546797.5320 7473367.0260 7514006.6340 10111121.9100 4657088.7650 6201571.7650 6814297.2380 7512808.5980 14556812.1300 5979672.8890 6504430.4770 3851097.6410 6688675.5220 5208035.9670 6331824.6990 9421860.2270 4283051.7340 5246107.6910 4778602.7650 8007524.9220 8024598.0730 12384878.2200 24839975.4700 8743497.3030 6617798.7050 8031517.7530 6004849.6460 8925108.9620 7071727.4930 8013829.7360 7368716.0820 13750352.9600 12650531.8200 7117984.4880 20922389.4200 6562090.5290 9015683.9220 6747656.0350 8440339.5570 11460645.2500 10504963.6300 Stearoylethanolamide 1125179.8520 790321.2551 926613.8298 815871.6162 1007361.2960 832699.6170 794282.3837 1182834.3310 1038072.7410 939854.2605 915121.1821 1051238.0880 851687.9451 548222.0739 767025.2088 877638.2163 881780.0428 754798.4589 1089869.1230 1216706.8640 874938.8645 1088605.9880 1030426.5050 687794.2253 776600.8374 959561.5029 779312.1999 889322.9002 1152518.4380 824648.6766 659718.1080 901802.0562 1068446.8980 1004488.3100 1129445.1630 892487.0002 991296.4092 1056321.0540 1304594.9610 1041756.8300 821040.7795 1095463.0580 603061.0776 1055897.3040 968209.4752 1024473.9960 864839.9668 706889.5988 1083484.4010 1162433.3170 1248708.3240 1049362.9160 667434.8331 1231779.5040 1107429.9730 1300089.7330 1219456.8010 1562021.3970 716061.4629 1014854.3550 783225.5524 954797.2838 970702.1089 777855.6332 1320157.4740 1144477.6500 1252551.9410 1453898.9210 943431.8218 1160831.1870 1132826.0820 781103.0518 1196870.0050 1094938.2030 1102254.1810 1319347.3760 Succinylcarnitine(AcCa(4:0-DC) 2029278.5280 854607.1777 2103141.8010 931032.9547 1097064.9470 2057298.9210 3444334.5300 1271778.3260 518468.4641 1917135.5100 3174102.3280 2527801.0500 4593263.7450 3160196.0960 4046827.5010 1299549.5950 2611600.8550 3018540.0350 3096218.4480 2972778.8730 1234471.3670 2535115.3020 2305388.7720 2755887.5000 3279050.5220 2157699.7450 2816194.9450 3895491.3100 2700188.6230 37542.5968 5274496.2520 2478609.9550 1134019.0000 4738265.5640 3591367.4060 3808939.2960 3801775.8120 2683893.8670 1604359.8910 1989621.2560 1528447.6790 1839917.3840 2183347.3140 1082111.8830 1534852.8570 2470186.1690 2290687.7050 1264752.5500 1749382.0050 4166063.6130 2418108.0600 2272955.0930 4032880.0400 3279664.0030 2354609.4040 1225282.8510 3968801.4390 7788029.4980 558082.6487 6811658.6450 3944804.5710 3363280.2740 5010318.0960 825884.2636 4981138.7200 2738845.6690 1906710.4880 3737973.8930 4037399.5700 978915.6802 5514912.0970 4692070.5330 5589531.0660 3622111.2800 1079593.4590 5721087.3590 Taurine 18567178.0700 22414634.3100 27999859.6200 20128042.0200 18873434.3500 22927164.5600 24685027.5200 29647124.7700 32466259.7700 22751675.7900 26811176.1000 27699247.8600 23331897.8300 19912329.7600 23246183.3500 21121354.5000 22024228.4600 22809388.2500 23109289.0800 38749187.6800 39642953.6400 34204811.6900 23161807.4700 19865812.9300 24013606.0000 28120126.8400 32281794.6000 22484783.8600 28633992.6000 30298738.8600 34285754.0400 41899920.1300 32867005.6400 42414347.8600 34521576.4600 30530374.7100 35264374.8100 37367231.0300 38265680.0300 56091203.8600 24518976.5500 14034917.4800 13211530.2600 29329850.7900 23389676.1100 29378429.3500 25439690.9300 26577795.0800 29223764.9600 26904898.7300 20970768.5000 20213938.0400 38020818.3100 28688819.3900 19491458.2900 17752807.4100 23333428.6500 77291294.6500 79510426.5000 41270053.4500 26246045.4100 31261825.6400 35764309.6900 38127548.9500 38264892.4400 21198384.6300 33374588.5000 45743116.4300 35452824.1900 33150993.8700 25033757.9100 47089583.1900 42571214.5400 25876362.9500 26261588.4400 27781750.4500 Taurine-D4 2170111.5920 11297846.8900 12441157.3900 12596525.8600 11601304.3500 10858929.3400 13376140.5300 10573156.2000 11614026.7500 10390069.7400 11823746.2700 13817956.9400 14047965.9100 12265260.2600 12425263.3600 12907286.5500 14015955.9000 12732236.9300 11605584.4600 10846645.4100 11934836.6900 13630436.2400 11093478.4200 12306343.2400 12281931.7700 12593349.7500 12859518.4200 11153903.9200 12620940.0100 13270274.1900 11445220.9100 12884496.5700 12923432.6200 7711446.8280 12632907.6300 12637183.1300 13261244.6200 13816294.0500 12778304.0900 14032972.0200 6605871.9140 12521616.3700 4767754.6090 12625839.0200 11540591.0200 14516289.5900 13169540.6200 12473296.3700 13678145.6000 14862009.2900 11501382.3600 13032195.6900 13085713.8700 12579954.9400 12321055.8000 10776036.0700 12077504.5900 12051073.4500 13899935.8500 12900110.1300 12061422.3800 12719011.1500 10452849.4600 13967692.5100 12613738.5600 13740758.8900 12969098.3100 12031573.3100 11756056.2100 11648834.5500 12707307.3700 12495536.3200 13606272.4100 13178211.6100 10935467.7800 10159517.5800 Tetradecadiencarnitine(AcCa(14:2) 1 53937165.8600 22127442.1100 53064247.4700 25249488.2700 17403038.9100 13945755.6000 31373641.2500 30402427.6900 26902221.5600 15322649.2200 25351073.5700 61572335.6900 71601106.2600 35222067.8100 21586432.0700 16381301.0000 20238823.9400 68338688.4600 35657267.5400 86202360.2600 15215318.2100 95196897.1600 6700993.8520 28251345.7500 14694064.8200 10832214.9300 24510670.6900 8402030.5970 33495779.3900 12047589.4400 26896168.9200 33430043.8700 12590346.3800 48257306.9000 23366618.9300 8355454.4710 57430141.0900 36530369.3400 50147789.3600 13148740.2700 13352864.1400 18456310.0500 26846649.9300 25134677.1200 14135008.8000 52044023.6300 27558243.1000 18176611.5400 12450546.5500 21166129.5100 68635275.3900 13718745.9000 25235368.2400 25864761.1600 14172172.6900 44290120.2900 37719774.5300 242985214.8000 48546498.9600 48604362.9000 40897656.6000 73367170.1500 38360156.9600 28891794.9800 155500051.7000 74023198.5400 97148462.2000 73437769.3100 36902826.7000 213178641.9000 50597828.4900 82486712.1300 59511412.6100 38067180.0300 71293532.2000 106339242.4000 Tetradecaethylene glycol(PEG-14) 3346185.6360 3610742.2120 3394642.8090 3301588.2640 3631289.4050 3286679.5610 3237939.3210 2919430.9920 3273051.9770 3394631.0390 3197632.8670 3283212.6450 3146963.6930 3501494.5330 3488350.2190 3174982.3000 3213246.8780 2854076.6550 3338615.6170 3921378.6990 3235662.4740 3425169.3910 3198231.0260 3288805.5120 3550527.9900 3556732.4500 3473064.4280 3153004.2390 3445254.2470 3296180.3050 3003278.4310 3307047.5300 3290442.2680 3113878.0640 3073572.3620 3047380.6140 3238304.2730 2949353.2210 3399434.1680 3268561.1550 3180105.2660 3296546.0330 3334198.4990 3052453.0370 3280546.6590 3091441.7850 2974742.0010 3512433.8560 2824879.3450 3168409.2870 3187001.3050 3363054.5190 3022716.3600 3021822.0310 3340940.6750 2903477.9350 2989414.4720 3067112.3360 3003488.8170 2960226.7310 3234323.1660 3198153.7900 3520382.9540 3526505.2260 2980213.0700 3200532.7220 2930693.0050 3192361.9730 3737040.1180 2980288.9230 3119825.3760 3014707.9380 2955449.8770 3332439.7040 3215000.2550 3437142.3100 Tetradecanoylcarnitine(AcCa(14:0) 22174160.6100 8589088.6440 14366874.5300 9425868.8710 11620472.2500 7737926.7520 15114920.6200 6049465.0900 11645171.1900 5547787.7590 11151435.0400 10012472.1700 18751215.9800 15997304.6300 9958394.1360 6694416.5340 8244897.8970 21402538.3500 9533493.1930 33748526.9500 2661024.4800 27857732.8200 8172043.3630 8171752.7870 9693046.9100 11607729.2100 11583707.9700 3793753.4320 15683880.0500 4628996.1820 12360603.2500 14213010.9500 9776566.3110 13436716.8300 12780680.3800 5814417.7490 16840129.4600 17306364.0200 16271645.1600 6632011.6960 10896210.1500 9237338.4910 15383576.6800 14551949.7200 16980413.7700 24381908.8800 8839950.2970 13478828.8200 6724056.1880 1675546.6700 16210789.6600 8133466.6630 8820611.3720 12468557.3500 12643777.3300 15593480.6200 14692799.4600 85738609.9900 17989437.4200 31143047.5100 24247465.1500 25748494.3600 28734401.9300 20110264.4500 60519330.5300 30347143.7600 38947746.0100 34738654.8900 32656825.2800 107484702.8000 31206695.5700 38471640.2800 28882419.9700 25314542.3500 31854561.0500 82121825.5100 Tetradecenoylcarnitine(AcCa(14:1) 67078285.2600 24555957.6700 60800459.7000 32254336.9100 21153128.6300 18474992.6700 56925407.0800 44752962.4700 32160669.9900 25012222.4100 32728344.8500 61170927.1300 66716924.3100 43704521.3100 28281868.9400 17429800.8000 29499378.5000 111550528.9000 35075428.0200 97328708.3100 16786604.8800 97813179.8100 11631690.3400 29386727.5000 20131499.9000 21448381.2100 45403505.6800 9594241.6620 47160236.4400 21449673.3900 38176506.5900 39144798.6300 19466270.2500 46013614.7900 32622993.3900 14702383.2400 61112172.1600 48795334.3800 58174901.8200 17408932.0600 18380150.5200 33076257.4100 42283742.2800 37356424.0900 30679049.1700 86103149.9100 24146709.8200 26184922.4500 18406322.2600 26809798.3400 57819946.3100 19995920.6900 27386853.0400 31246049.2300 19366007.9900 46991445.9800 47261637.8600 287054784.2000 62197540.4300 69118905.7000 75518173.4600 82781543.4400 57854832.9500 56359739.3400 248613002.5000 91449824.3200 158121260.8000 110051723.4000 43000231.3600 257815166.7000 72980882.6400 97443989.1600 88890415.7100 67030185.2500 99381981.1700 177352230.7000 Tetraethylene glycol(PEG-4) 3914854.5000 3891146.3360 5871927.6820 3131835.4560 3369401.5520 3730284.9190 2816459.1650 4029008.0140 3002439.1680 2382139.1750 3206126.1660 3698846.2250 4639434.1050 3722877.6950 3083657.3120 2943261.5810 3197018.5540 2941894.1760 2869372.8710 2733797.3510 4035591.9930 3170769.3390 2379953.5850 2531031.5650 1956634.0740 2531824.2210 2036803.1170 2228902.7770 2516973.2550 4350906.7020 3459840.8600 3285417.8250 3893949.3360 3648774.2570 2842635.1040 2614699.5580 3301703.5090 2639445.7820 3919585.2280 4110908.3950 3711271.0190 2488926.1320 2257411.2130 2959972.1720 2962625.0970 2630007.7430 3005433.5380 256101.3494 2186866.8840 4749604.6580 6385968.7130 6288466.8380 3442732.9500 3603160.4140 2784213.0760 2225481.3850 2447657.6420 2859464.0160 2560105.0120 2092579.6130 2976263.4090 4235452.0460 3429461.2110 3868072.6990 2388080.5730 1946437.3340 2269663.6370 3965178.4480 4276078.9290 2661930.8900 2665739.7430 2558953.6960 3629223.4480 3205036.7670 2287518.0330 3479577.4290 Theobromine 27327222.3400 17406026.3300 90517302.0800 32653010.0400 2672517.5570 30863683.7600 23608724.0700 84095761.7200 69879196.4600 25884543.5500 7064670.9080 2336119.1350 10458181.1000 4418580.9080 36324462.6000 38409638.4100 1589878.5150 17182835.5500 76894666.9000 17184379.1600 28264388.3000 144936049.4000 106984741.9000 7292480.3310 26086748.0700 9072951.6720 44632298.4200 59231901.0700 28808894.2000 15944924.8200 6863714.0950 1802609.7200 17078248.9700 35311458.1200 24840372.8800 7914873.7460 31732839.1100 69643579.4700 15529154.2500 19810257.7600 165003940.5000 118123472.5000 17067270.7900 31095347.1400 12243836.4700 49165808.5500 75012975.8500 39243734.9700 25529020.7700 9163967.0420 1947901.7940 28346498.9000 30985227.7400 25621508.5700 10063892.0000 39228479.8300 87348178.5100 15785014.1600 24016244.7400 164448424.9000 147822472.7000 13687393.8300 23358008.5300 9829927.4370 53460461.9200 50356694.9200 36702227.4900 21594543.4000 7653473.9010 2239054.3770 27185876.7500 34222567.3300 24770238.0200 8371905.0310 32934328.4300 71338534.7000 Theophylline 204405773.4000 100637681.2000 301742155.9000 104428688.6000 9668580.0220 189241832.0000 161612003.0000 712969642.4000 445439875.2000 178574233.8000 15310875.8300 7311214.0300 91449057.4000 5789796.1160 219130194.1000 282202064.8000 3778878.1070 47360032.2200 497326016.9000 165079855.2000 319230819.4000 236778631.3000 79116263.4600 10330633.5500 128555792.3000 64561366.4800 349524319.1000 233972905.4000 80969161.3300 63019632.2600 46354608.5800 3643704.3690 38026896.7400 253500122.8000 177642203.9000 23814063.2000 87254373.6800 270137937.7000 117473709.0000 241735473.9000 107576868.7000 43777803.3600 8035145.6000 7025743.3130 94100356.2700 347424250.8000 241254449.3000 104701610.7000 108008637.6000 74972120.2600 5175320.2440 61469582.5500 160777554.2000 177825258.6000 23358075.8500 111640213.2000 259917756.6000 115694603.1000 288171744.4000 101630015.3000 35562986.2000 5528305.7730 4590335.6360 71651935.2800 383463768.1000 161561644.2000 96324515.7900 88892994.7700 56956483.1500 5090705.1140 54372452.0000 204326019.9000 180521236.1000 18409904.9800 94942960.5000 216895985.2000 Thyroxine 3275014.8930 3261141.6820 1598121.6770 3507991.8230 2617841.2810 3539567.7260 2410786.0800 2529615.7730 2631131.6600 3208900.4340 3067094.8430 4065938.3320 2941605.6130 2623073.9160 2567529.6160 2477622.8970 3536668.4030 3050454.9060 3473916.3390 3464043.8260 3381336.6600 1740210.2980 3269940.5830 2891227.9900 3412781.2220 2362154.6370 2133592.0010 2406477.6680 3238286.5070 2990705.1030 3896528.8110 2652587.4670 2465025.1900 2267735.6370 2314510.7450 3336515.1740 3134542.1990 3162260.9150 3072874.6860 3313212.7310 1578010.4690 3479639.8080 2921644.8130 3255545.7780 2425475.6540 2245005.1660 2322623.9120 3149746.3280 2953414.6650 3586466.5020 2629228.7930 2489267.6860 2335070.2090 2556981.2260 3540282.1690 3112423.2340 3189155.3510 3602263.3600 3433739.4680 1593921.1220 3438993.8730 3151484.9390 3310432.1520 2376218.8280 2322505.1580 2238315.9430 3449169.2100 3300903.9670 4156987.9580 3010130.5670 2613944.5120 2347076.1790 2592762.6320 3777015.3530 3072264.1480 3533006.1520 Tiglylcarnitine(AcCa(5:1) 13497673.2500 3870125.3320 5676018.9820 3660181.9050 3315829.1020 8619609.2460 4554626.4700 15667627.6600 4488598.6410 5516363.1520 7257106.2130 10877540.1800 5170715.8360 7838426.9560 7165835.8580 6525225.2410 6195793.3870 10014479.8000 3918937.4370 18117988.6400 6796449.7710 8362421.5470 6752190.8690 7457226.1180 15650329.4100 5204313.0410 10591918.2900 3514103.1660 6769900.7170 5992923.8790 16324194.6300 6804776.1440 9174287.6110 9590829.5980 9938804.2930 9367045.7670 6372982.2410 6426453.6430 12452416.0000 6129906.0340 5850805.3390 4579801.2130 6059796.5310 15467680.6500 3939516.7360 9033691.3810 4399513.0370 4904308.5340 5562748.8470 12478351.0800 5164708.5250 7983119.8410 7797655.9350 8748116.3090 5744571.4570 5853296.2480 4807585.2040 33667229.0900 11261913.0300 15656088.9500 9372836.7340 10042380.5800 23713996.0100 5953054.1270 22238115.7700 3437394.2200 13224141.1800 9524759.4870 20878746.4400 12368757.8900 18159319.1500 16622574.3200 16591892.5100 12130149.4200 10103043.1800 9200237.4300 Tridecanoylcarnitine(AcCa(13:0) 22682337.9600 6337119.2080 44122128.8100 8155932.4880 4398298.7410 9387065.2710 11836558.0900 23878144.5800 6087018.6790 11129072.8300 7898034.8090 16760711.3100 13768908.0900 13170824.1900 10611265.6300 17029538.1200 11743067.0200 31559496.2600 14036906.4600 23817371.2400 8710785.2280 46333341.9100 7662159.3300 9366100.8920 7716278.4680 10290148.8600 25240406.7300 10123864.3200 12688397.0300 9750374.4860 21560715.5100 13303657.7000 15769261.7900 16264176.7100 16776298.4900 8711007.3800 26040692.7000 39390141.9300 23750265.7800 4995921.0980 33944781.7000 8183471.1390 13072450.9600 12177829.3600 12262398.1400 15938941.9400 8698929.1160 8708377.8790 7768807.2400 22199856.4900 13673003.4500 14433471.1300 17697982.6000 22219067.5200 9315353.4950 21656041.8400 39838635.3500 63310474.7900 11673435.5900 76543178.5300 16926858.8500 16974980.9100 16982898.4800 20183495.6500 45301267.4400 14336637.3900 28885796.1800 19310848.7600 39442775.5500 39670207.1400 34122839.3000 31866302.8600 40854331.7600 19599312.4100 47395820.1800 42926501.0400 Trigonelline 5498064.4850 16845322.8000 5123408.3360 3987465.6280 5357295.2180 4985646.2930 5970514.8310 4884357.7610 4577236.7310 5046369.5340 4483092.6570 15911287.4500 5374739.5490 7012563.7080 3909142.4270 10153566.4800 2580124.2540 3843506.2160 5472009.3060 16108880.3100 50796360.6600 6715716.9340 22423926.4600 18801398.6100 11311547.6800 18675655.6500 22298596.6900 18711622.9300 13705156.3000 17004763.8200 25488254.4100 19151924.3200 29308994.1200 9834082.7070 13609474.4900 21219766.7400 11919997.5300 6884630.5470 5410939.7040 56702923.6300 5042056.9330 2069742.7580 5995590.4590 7079341.9580 8316321.5190 5342635.5560 7755485.5750 7383096.1740 2176208.8720 5864837.5330 5748049.4900 8602250.2080 4993785.8030 9557320.5560 5157962.7780 8292036.1940 5563735.5630 7862829.3010 73941616.0100 9789139.5600 3676079.0180 6261667.5190 8124385.1890 10561879.0500 7004925.2210 6525962.1140 11416511.0500 5280456.3150 7578528.9620 6252867.3150 12535067.4400 5950264.0360 13179836.7900 6046401.0150 8925540.3950 7996553.9130 Trimethylamine N-oxide 12444718.3400 7274311.5150 971466.9915 3275336.7420 1603040.4010 7720661.0630 6854051.3230 2724400.8350 2105039.5480 4004163.3020 25333576.2300 3013519.7010 5290487.6650 8307425.2520 11386936.6000 2474114.9520 1040035.5110 2208552.5040 13394456.5800 6687643.4900 16767442.1000 2634314.6270 5860136.7530 4527651.5510 10347003.1700 6959284.7490 14065906.3200 1659302.7990 2963922.1880 15793252.7400 13064595.4800 9793493.6590 7272968.4900 13739278.3900 11257668.5500 5191146.9840 1503944.8200 7214513.9080 3038997.3180 20432276.0200 4969932.0650 3097413.5320 7126513.3780 13016435.5400 8122599.9300 3477308.8820 3215476.2690 1775279.6940 7928894.3570 8059721.9090 6007572.2900 5026336.1680 8857505.4980 4612135.4870 3242845.7170 3194581.9610 6244341.2250 1672637.1210 19215819.0800 4331966.5340 4816882.8290 4187976.6970 11536048.5000 7327725.1550 2718026.1540 1509650.2520 3175385.1890 8902081.4130 8892838.9000 7949742.6100 5031402.8620 16273918.2500 11689060.4200 2779603.3020 2518998.1930 6142823.2110 Tryptamine 61119.2885 783089.6182 122277.8696 773122.0164 155537.5148 607479.2972 2279007.9800 66552.5801 367330.6489 198211.1425 564641.2375 1062449.0780 173720.8646 733408.9690 1111750.7490 702563.3467 935080.2445 604705.1382 137178.6675 1190663.0140 86086.6950 566664.8604 761901.0957 822185.0850 141202.6784 2708425.6090 1341828.4540 1002317.4710 1141018.6830 369187.1047 1096132.3250 1197378.4960 989384.1558 361414.4154 457849.2281 822905.3577 750279.8912 791290.2556 925348.2881 1015788.0970 715316.4080 1115013.0540 614167.5425 1420589.1280 2333747.6870 1239079.6550 1045607.9530 745963.2997 279072.3307 304932.6085 996501.1348 820216.9454 860898.5987 972752.3157 721899.7397 987670.2299 880625.0188 286901.5119 90241.8820 1211074.7720 819510.7432 772024.2543 91014.5993 116626.6555 1837368.9200 223815.1487 1151198.3320 499464.6403 1211362.2840 59728.7662 1194271.4380 894809.3290 437120.7116 1133231.8690 1043277.4920 1152754.3200 Tryptophan 2-C-mannoside 352927.5873 234793.9539 357958.7081 490123.6050 354845.9161 382393.8722 384692.6150 402989.1650 422450.5310 261129.6406 361929.1727 409806.0798 222768.0728 117003.1558 399458.9491 299427.3081 403722.0620 335661.6460 419940.6031 507812.1145 308622.3657 362909.1866 447514.5856 475333.4253 467063.7278 468342.1011 449944.6735 523725.4050 318978.5020 414400.3450 465791.2617 421801.1432 472405.6609 442000.2250 355121.2942 438003.4639 401607.9585 548765.1207 411209.0163 286007.6898 274029.6551 372786.9912 405873.6628 375138.9236 460727.4970 413152.1168 319727.7638 335485.6556 413269.3112 351280.4116 7044.4714 407590.7434 400463.5006 285567.0121 325830.0614 780.7054 330665.8516 778583.4584 451152.4732 427913.9134 461688.2369 455761.5038 468202.5526 319580.5125 628467.1551 348474.6139 526179.4187 591570.2501 579091.4458 566191.6243 459275.3579 532300.2544 524861.8076 526118.7349 512198.8748 672471.7426 Tryptophan betaine 82172470.6200 92714091.8400 69181282.4200 76779799.3600 43046972.9000 58460470.0800 374834296.3000 164339860.9000 74478843.3900 91747379.7200 31827878.9700 86802070.4100 64558058.5500 21045623.1800 72612049.7200 11339637.1100 15051537.5200 64287174.9900 111001409.8000 64471075.5000 109883822.8000 34638812.2100 83037819.1900 51147823.5700 70111153.2000 345638864.6000 125488795.2000 83419120.0600 80901515.2800 23900917.6200 114624569.9000 65164267.1100 22694075.5700 78938799.4900 6579546.7730 20760838.8400 58918111.5000 114675595.3000 72003377.7600 106704020.4000 37194748.3300 81794959.6100 54740498.3200 80931047.1900 304665847.6000 164206649.6000 109982994.2000 76097553.4400 28128018.3100 106973131.7000 70963881.5700 24861925.0100 77242395.5100 8958927.7190 19477654.2500 55177436.1500 112656190.3000 84585092.5500 114000801.4000 41001458.8500 87442315.8200 64764567.5200 75751997.8400 309724953.1000 190511125.4000 71239716.8700 93550031.1700 27777455.2600 102069379.1000 78353324.4100 33719355.5400 85469535.9800 8609723.8970 18362705.1200 54952551.3900 117754022.1000 Undecanoylcarnitine(AcCa(11:0) 17300777.9500 4693962.5500 38238719.4000 11082898.8600 9245371.5260 17099217.7900 9304285.3860 7807973.2520 6755900.1120 5312633.5670 10756930.4100 25501152.6300 16636139.8100 12972850.6200 17025700.6700 14004181.1700 13679777.5000 36487369.2100 11243789.3200 13684566.4700 4104862.2690 41329826.4500 3977683.7480 10319561.3000 7912657.6750 3041645.0410 7831070.8020 2477742.1760 7784842.0490 5001025.8640 12736809.3500 6905166.2120 5158177.6360 22495823.0000 14367925.4300 7437596.8310 24801193.2700 39398692.0900 23374450.8000 3206575.4090 26476521.5300 9353920.6610 23430249.7200 23739399.7200 7010941.3900 8529194.3590 9874367.0430 8341085.1860 5869184.5030 30208106.4900 21408122.7700 13310425.1000 25029833.7500 31100276.1900 14494604.0100 36802415.1300 45543854.7100 73333450.4000 9354059.3350 65115985.5100 22018856.8700 30169929.3300 28938697.4700 13653731.3700 22066418.3400 13136544.8200 26984491.9700 23770163.1200 61531609.8700 62563839.5100 35299770.9400 42973988.0100 42461425.8800 23306461.6800 53944246.4000 26421054.0100 Uracil 41896576.5100 29203587.3400 26306329.9000 20792818.1800 20299793.0700 24228644.6600 24880368.3600 34685164.8500 23435226.1300 24297596.1500 19665289.6200 26377515.0200 17273776.1200 20384808.7300 24450109.3000 18715941.0500 23644024.3100 30386695.6700 17805174.3300 22565841.0300 14641316.2100 17165881.6200 13349099.3100 13920807.8400 24369755.2900 9416780.5880 9774261.6580 11541485.9000 12552814.6900 10121754.5100 11126762.2900 12767451.5000 9590268.4240 16808534.3400 18071848.9200 18135304.6400 23827845.6700 23370378.6100 40385616.3000 29654726.4100 19043365.6200 24728199.8300 19714881.0300 22234436.7500 12611735.5800 23696791.9500 25404599.3300 14978691.5800 12375273.1500 16236446.4200 19608318.8200 15722108.2000 19093932.7100 17462186.3700 18251019.7700 25381557.3400 15900474.3600 64476830.7600 23621687.4600 24073098.1000 16843100.2200 16043657.0800 20994434.3300 12576755.8500 31258778.5100 23712625.7500 22078110.7900 14234665.8500 10821076.3700 21178200.9200 14436590.7300 22304997.2400 22269826.8200 19320208.1200 26756434.6000 15991131.0900 Urea 43149588.9500 15671038.4200 15306290.6400 14555706.2500 8501247.0620 17569491.4700 8578615.8600 19188946.0000 15455461.6300 14641298.3000 21486193.4500 25822261.0100 31793537.1900 14256276.8000 27033787.4500 17402066.5200 26697343.3800 30641651.0400 18030463.8200 31726777.9000 19842129.1900 23429247.4100 22350845.7500 13670204.3700 33300440.8100 6853311.5860 19100495.0400 20628223.1400 26535941.6700 17479024.7600 32301982.4700 28586798.1200 22204289.3400 32458781.8800 24830118.0400 35956837.3100 26748514.3600 21716035.6700 31061788.5600 20467695.6300 19675129.8000 10126780.9000 9119778.8750 32416788.4600 7008804.2150 18667373.7700 23237998.8900 19218532.4500 17091922.4100 28451555.1800 33872269.7600 16132834.9000 24177228.2400 20337476.5600 31277421.4300 27269734.1000 17452444.4100 31993436.5400 19027217.8400 24862077.7400 16796264.1100 17605142.2200 33774879.5800 7501188.5280 22184298.0000 17739973.5900 22208559.1800 17474540.6300 34975733.7000 30505518.8800 28902516.8500 32602776.7900 23045433.5600 30382425.5600 24779253.4800 19390313.3600 Uric acid 1530199516.0000 1072350436.0000 1363158018.0000 1208792572.0000 1554468259.0000 1394755500.0000 1493188082.0000 1570232225.0000 1661577443.0000 1338049444.0000 1214059270.0000 1466813401.0000 1260899359.0000 1111575954.0000 1678475236.0000 1205866174.0000 1278827549.0000 1432501708.0000 1805979829.0000 1511063041.0000 1347456508.0000 1449510281.0000 1496896483.0000 1770697970.0000 1600937066.0000 1255938998.0000 1571969550.0000 1804797602.0000 1526564092.0000 1190727046.0000 1668177715.0000 1374356457.0000 1288532998.0000 1955895123.0000 1411938189.0000 1481639101.0000 1386298832.0000 1937490686.0000 1533767094.0000 1279787465.0000 1626164811.0000 1386077487.0000 1802522147.0000 1488761279.0000 1405490199.0000 1533652168.0000 1749726354.0000 1326981942.0000 1200812432.0000 1638910220.0000 1282277676.0000 1258762597.0000 1842310663.0000 1268899787.0000 1287684949.0000 1355019256.0000 1738489193.0000 1776476356.0000 1344399268.0000 1648184739.0000 1442275438.0000 1880479185.0000 1651541394.0000 1398754527.0000 1759224806.0000 1608253255.0000 1409194865.0000 1194681575.0000 1444106543.0000 1297789852.0000 1260855616.0000 1938424145.0000 1618974833.0000 1298828201.0000 1510984624.0000 1757740529.0000 Uridine+Pseudouridine 2034707.8980 1030983.6980 1528458.2980 1968862.8090 1813350.2360 2092131.0910 2063587.5110 1566100.2510 1110745.3770 1599618.2930 2397605.4010 2699258.0040 1621383.9660 872333.4851 2271223.9470 1154663.4530 1335368.1210 1512018.4010 1925438.4980 2403333.3320 1308719.2170 1109451.0460 1929694.9680 2305964.9620 2802270.8160 467158.9619 1758459.0360 2511511.4520 2354689.3310 1269573.4850 2504852.6820 1534393.7060 1346318.2530 3019919.7280 1921446.5180 1805533.1920 1585608.5030 2026562.2570 3204663.5910 2114708.8560 1736570.0500 1634828.7370 1933282.8340 1959286.8240 1209818.8250 2040623.3130 2289433.4110 1426182.0670 1857538.8330 2069292.8850 2274603.0390 1368593.3380 2803756.8280 1130403.6550 1969931.9150 1981474.5600 2212336.9310 3126968.1090 2046351.7320 2038254.9110 1932810.2200 2417235.2810 3131167.3470 1400903.2060 2261263.5110 2695631.3680 1802040.5650 1987873.7220 2931814.7190 1587818.1640 1698935.3580 2393768.7990 2420224.0040 1965033.8560 2066575.5480 1984686.8390 Urocanic acid 11804596.1000 10561132.5000 9743505.1020 10790645.5600 11510336.3200 7879129.5820 18499903.3400 7838898.1470 8805469.8390 10821116.9700 9080006.9380 6623937.4860 8499146.4600 10143486.6500 6826840.7640 7214121.9400 15652021.4900 8803080.5240 14293251.0900 8584371.1300 11441324.0400 9047849.0190 14847856.5600 13408337.7600 15279744.7600 7784330.2560 4868743.6380 5417317.5900 15938625.7800 11124299.1700 7590506.7890 7180853.2410 8735905.0260 7338447.5930 6639150.2290 13252070.8900 8181082.8820 7487120.2360 11236689.1900 13873441.5100 13316505.2700 14254438.0500 11242511.8500 11196404.6200 13278223.4100 10134759.5900 7477291.4790 10485708.5300 9236209.8190 12997252.6800 7830949.2770 16023841.5300 10364220.7000 7027088.2350 13178334.0500 8026893.5710 6713821.0640 8738813.8680 7721664.6160 5916065.7400 11585530.5400 13482853.2700 18927179.8200 7888411.0800 7641427.9840 12428815.8500 10892881.9200 6311069.6080 8436403.8740 6997315.9690 18305187.8200 7415264.0610 5722576.4840 14011581.2400 7404135.3800 8977660.9390 Val-Ile + Leu-Val 502223.3940 287501.6154 585277.9010 381741.9903 348851.8698 278825.2762 277190.5825 601355.9339 317304.4201 354221.0978 370560.5487 322980.0341 408641.5980 315351.3085 447386.4987 367557.6651 330758.5261 547884.6446 381068.4056 610268.4539 346921.7564 215694.8089 392135.7779 280257.1143 303616.3558 585189.2382 571446.4543 343794.1898 396745.8916 443694.6210 692120.6976 342782.5092 653164.7885 1655263.7380 445844.0139 501323.3951 564693.4678 247206.1511 778602.5315 431189.3686 443864.3768 301722.6417 272813.2088 373130.8263 249310.7965 403023.7230 396517.6554 190454.7722 361545.2515 628202.4181 289541.8024 412015.8032 486140.0359 476174.8840 274183.0004 398741.7115 419514.3767 954928.7902 581560.0507 518749.8248 365501.4581 483281.9068 288808.5918 265358.3505 624699.9451 12532.4196 360302.6410 287450.9136 461744.4401 382981.7193 467478.1963 350907.2547 364561.9538 209107.5531 308880.0654 337165.0646 Val-Leu 1499990.1930 975308.6786 1415082.3740 2306653.3270 1877121.0790 2068279.4790 2952099.0110 2789534.8660 1548288.1430 1127774.0980 1376257.5560 1225709.7660 1206750.1660 1253589.6090 1543429.7510 1073284.9150 1520928.7700 1545336.4970 1433723.1220 1830795.1810 1170915.3460 1021298.1500 2715111.4370 2451528.3760 2679189.0260 3602390.2220 3119662.0540 2026230.1520 1225456.4570 1208844.9150 1394260.3200 1245667.7600 1659233.6120 3015396.6250 1468075.2130 2746646.4520 1983053.7980 1535335.7310 1647390.4180 1147439.2040 1258043.3000 1784370.3340 1181360.8670 1568023.5020 1952050.1370 2554333.3190 1653217.5190 1005761.1930 1095158.5600 1238441.5220 1262635.5180 1349380.0650 1796399.5520 1409103.6450 1518438.2270 1730085.9760 1402608.6390 2933624.2610 2186728.2440 1626829.8250 1863446.3410 2283185.6150 1904114.3400 3845255.3610 4473924.2580 1680787.6520 1513371.0530 1291119.9390 1406670.4910 1678848.2540 2020212.0800 2200663.2180 1346186.9840 2109657.9320 1419285.4870 1807069.2130 Xanthine 16461038.2900 13607691.3400 9653436.6060 10039757.5100 6956747.6000 12931261.6500 12624796.4000 9943975.5090 17619211.8500 11046986.2400 8180707.0540 13603609.7900 8375132.1860 12787204.9100 11130522.0300 5077411.7470 15468694.3400 12948902.2100 9750209.6170 14657211.6700 6882563.7480 9234542.2780 6267534.3480 4636710.0720 9859871.5370 4735973.6570 4346821.9180 6070236.5940 5184213.5850 5590910.6970 4773251.2890 5918290.7730 6313977.7100 10691397.4900 7181358.0160 8924716.9480 12219834.8100 13914321.0800 13011076.8800 9575194.5740 12027305.0400 10729836.1300 6530036.2180 13038730.5200 7980186.5530 10515542.3600 15075021.8900 10321168.9500 7293825.0340 5094585.8040 10757395.5800 8289689.6080 11318268.9100 8532528.5450 12587321.9500 13835509.7500 12597423.7300 57085550.8000 44113419.9400 29568885.0500 23581573.5200 13189279.3400 27210752.5600 11454942.7400 35049362.9600 27604178.2400 29572091.8900 21501431.6900 15332471.6200 29953318.9600 21712937.3800 27497578.9300 28789181.2500 25129171.9300 32777510.4700 28324987.3400 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 1-Methyladenosine 1.03 282.11968 1-Methylguanosine 2.22 298.1146 1-Methylhistidine 0.64 170.0924 1-Methylinosine 2.3 151.06144 1-Methylnicotinamide 0.67 137.07094 1-Pyrroline-5-carboxylic acid 0.7 114.05496 25-Hydroxyvitamin D3 10.05 383.33084 2-Amino-5-methylhexanoic acid 2.6 146.11756 2-Aminoheptanoic acid 2.73 146.11756 2-Aminonicotinic acid 1.11 139.0502 2-Aminooctanoic acid 3.7 160.13321 2-Chlorophenylalanine 3.05 200.04728 2-Methylguanosine 2.37 298.1146 2-Oxoarginine 0.7 174.08732 2-Piperidinone 1.97 100.07569 3-Amino-2-piperidone 0.55 115.08659 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid(CMPF) 6.35 241.10705 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine 0.64 205.15467 3-Methoxytyrosine 1.85 212.09173 4-Acetamidobutanoic acid 1.31 146.08117 4-Aminoantipyrine 3.09 204.11314 4-Formylaminoantipyrine 3.53 232.10805 4-Pyridoxic acid 1.57 184.06043 4-Trimethylammoniobutanoic acid 0.72 146.11756 5-Hydroxyindoleacetic acid 3.49 192.06552 5'-Methylthioadenosine 3.05 298.09684 7,8-Dihydrobiopterin 1.11 240.10912 7-Methylguanine 1.04 166.07234 AcCa(12:0)-D9 8.06 353.33603 AcCa(18:0)-D3 11 431.39227 Adenosine 1.36 268.10403 Adipoylcarnitine(AcCa(6:0-DC) 2.84 290.15981 ADMA+SDMA 0.67 203.15025 Alanine+Sarcosine 0.64 90.05496 alpha-Aminobutyric acid 0.69 104.07061 Antipyrine 4.17 189.10224 Arachidylcarnitine(AcCa(20:0) 11.96 456.40474 Asp-Ile 2.72 247.12885 Asp-Leu 2.92 247.12885 Asp-Phe 3.14 281.1132 Betaine 0.73 118.08626 Bilirubin 6.89 585.27076 Biliverdin 7.45 583.25511 Biliverdin isomer1 6.89 583.25511 Biliverdin isomer2 7.22 583.25511 Biliverdin isomer3 7.94 583.25511 Biotin 3.56 245.09544 Butenylcarnitine(AcCa(4:1) 2.56 230.13868 Butyrylcarnitine(AcCa(4:0) 3.1 232.15433 Caffeine 3.58 195.08765 Choline 0.65 104.10699 Citrulline 0.65 176.10297 Clenbuterol-D9 4.64 286.14339 Cortisol 5.58 363.2166 Cotinine 1.28 177.10224 Creatine 0.69 132.07675 Creatinine 0.69 114.06619 Cyclandelate 9.44 277.17982 Cytosine 0.66 112.05054 Decaethylene Glycol(PEG-10) 4 476.30654 Decanoylcarnitine(AcCa(10:0) 7.05 316.24824 Decenoylcarnitine(AcCa(10:1) 6.56 314.23258 Decenoylcarnitine(AcCa(10:1) 1 6.24 314.23258 Decenoylcarnitine(AcCa(10:1) 2 6.42 314.23258 Decenoylcarnitine(AcCa(10:1) 3 6.75 314.23258 Dihydrothymine 1.33 129.06585 Dodecaethylene glycol(PEG-12) 4.28 569.31223 Dodecanoylcarnitine(AcCa(12:0) 8.08 344.27954 Dodecenoylcarnitine(AcCa(12:1) 7.5 342.26389 Dopamine quinone 1.96 152.07061 Eicoseneoylcarnitine(AcCa(20:1) 11.07 454.38909 Gabapentin 3.14 172.13321 gamma-Glu-Ala 0.72 219.09755 gamma-Glu-Ile 2.92 261.1445 gamma-Glu-Leu 3.03 261.1445 gamma-Glu-Met 2.01 279.10092 gamma-Glu-Phe 3.34 295.12885 gamma-Glu-Thr 0.7 249.10811 gamma-Glu-Tyr 2.53 311.12376 gamma-Glu-Val 1.92 247.12885 Glp-Gly 0.9 187.07133 Glu-Leu 2.78 261.1445 Glu-Phe 3.18 295.12885 Glutarylcarnitine(AcCa(5:0-DC) 2.55 276.14416 Glycerophosphocholine 0.64 258.1101 Glycerylphosphorylethanolamine 0.64 216.06315 Gly-Glu 0.67 205.0819 Gly-Leu 2.71 189.12337 Gly-Phe 3.09 223.10772 Hematoporphyrin 7.42 599.28641 Heptaethylene Glycol(PEG-7) 3.46 344.22789 Hexadecadienoylcarnitine(AcCa(16:2) 8.76 396.31084 Hexadecenoylcarnitine(AcCa(16:1) 9.32 398.32649 Hexanoylcarnitine(AcCa(6:0) 4.57 260.18563 Hexenoylcarnitine(AcCa(6:1) 3.98 258.16998 Hippuric acid 3.45 180.06552 Hippuric acid-D5 3.48 185.0969 His-Trp 2.9 342.15607 Homo-L-Arg 0.64 189.1346 Homostachydrine 0.95 158.11756 Human Fibrinopeptide A 4.03 768.84988 Human Fibrinopeptide B 4.49 776.83678 Hydroxycotinine 0.97 193.09715 Hydroxyisovaleroyl carnitine(AcCa(5:0-OH) 2.32 262.1649 Hypoxanthine 0.99 137.04579 Icosadienoylcarnitine(AcCa(20:2) 10.45 452.37344 Icosatrienoylcarnitine(AcCa(20:3) 9.88 450.35779 Ile-Gln + Leu-Gln 1.29 260.16048 Ile-Gly 1.6 189.12337 Ile-Ile 3.46 245.18597 Ile-Leu + Leu-Ile 3.7 245.18597 Ile-Phe 4.09 279.17032 Ile-Pro 2.99 229.15467 Ile-Val 2.86 231.17032 Indole-3-carboxaldehyde 4.87 146.06004 Indole-3-methyl acetate 6.49 190.08626 Indole-3-propionic acid 5.7 190.08626 Indoleacetic acid 5 176.07061 Indolelactic acid 4.56 206.08117 Isobutyrylcarnitine(AcCa(iso4:0) 3.03 232.15433 Isobutyrylglycine 2.02 146.08117 Isovalerylcarnitine(AcCa(iso5:0) 3.67 246.16998 Kynurenic acid 3.25 190.04987 L-Acetylcarnitine(AcCa(2:0) 1.14 204.12303 L-Arginine 0.64 175.11895 L-Asparagine 0.65 133.06077 L-Aspartic acid 0.65 134.04478 L-Carnitine 0.69 162.11247 L-Cystine 0.67 241.03112 Leu-Gly 1.8 189.12337 Leu-Leu 3.86 245.18597 Leu-Phe 4.21 279.17032 Leu-Pro 3.12 229.15467 L-Glutamic acid 0.65 148.06043 L-Glutamine 0.64 147.07642 L-Histidine 0.8 156.07675 Linoleamide 10.03 280.26349 Linolenylcarnitine(AcCa(18:3) 9.2 422.32649 Linoleoylethanolamide 9.7 324.28971 Linoleylcarnitine(AcCa(18:2) 9.58 424.34214 L-Isoleucine 1.21 132.10191 L-Kynurenine 2.23 209.09207 L-Leucine 1.33 132.10191 L-Lysine 0.55 147.1128 L-Methionine 0.95 150.05833 L-Phenylalanine 2.25 166.08626 L-Proline 0.69 116.07061 L-Serine 0.64 106.04987 L-Threonine 0.65 120.06552 L-Tryptophan 3.14 205.09715 L-Tyrosine 1.19 182.08117 Lysine-d4 0.57 151.13791 LysoPC(0:0/14:0) 8.44 468.30847 LysoPC(0:0/16:0) 9.4 496.33977 LysoPC(0:0/16:1) 8.69 494.32412 LysoPC(0:0/18:1) 9.53 522.35542 LysoPC(0:0/18:2) 9.03 520.33977 LysoPC(0:0/18:3) 8.52 518.32412 LysoPC(0:0/19:0) 10.35 538.38672 LysoPC(0:0/20:3) 9.3 546.35542 LysoPC(0:0/20:4) 8.98 544.33977 LysoPC(0:0/20:5) 8.5 542.32412 LysoPC(0:0/22:4) 9.6 572.37107 LysoPC(14:0/0:0) 8.59 468.30847 LysoPC(15:0/0:0) 8.95 482.32412 LysoPC(15:0p/0:0) 9.6 466.3292 LysoPC(16:0/0:0) 9.8 496.33977 LysoPC(16:0e/0:0) 10.3 482.3605 LysoPC(16:0p/0:0) 10.1 480.34485 LysoPC(16:1/0:0) 8.9 494.32412 LysoPC(16:1p) 9.56 478.3292 LysoPC(17:0/0:0) 10.4 510.35542 LysoPC(17:1/0:0) 9.4 508.33977 LysoPC(18:0/0:0) 11.05 524.37107 LysoPC(18:0p/0:0) 10.5 508.37615 LysoPC(18:1/0:0) 9.99 522.35542 LysoPC(18:1p/0:0) 10.3 506.3605 LysoPC(18:2/0:0) 9.2 520.33977 LysoPC(18:3/0:0) 8.7 518.32412 LysoPC(19:0/0:0) 10.49 538.38672 LysoPC(20:1/0:0) 11 550.38672 LysoPC(20:2/0:0) 10.2 548.37107 LysoPC(20:3/0:0) 9.58 546.35542 LysoPC(20:4/0:0) 9.15 544.33977 LysoPC(20:5/0:0) 8.7 542.32412 LysoPC(22:4/0:0) 9.8 572.37107 LysoPC(22:5n3/0:0)+LysoPC(0:0/22:5n6) 9.35 570.35542 LysoPC(22:6/0:0) 9.1 568.33977 LysoPE(0:0/16:0) 8.98 454.29282 LysoPE(0:0/18:1) 9.13 480.30847 LysoPE(0:0/18:2) 8.61 478.29282 LysoPE(0:0/20:3) 8.92 504.30847 LysoPE(0:0/20:4) 8.61 502.29282 LysoPE(0:0/22:5n3) 8.82 528.30847 LysoPE(0:0/22:5n6)+LysoPE(22:5n3/0:0) 8.96 528.30847 LysoPE(0:0/22:6) 8.61 526.29282 LysoPE(16:0/0:0) 9.15 454.29282 LysoPE(16:0p/0:0) 9.45 438.2979 LysoPE(18:0/0:0) 10.1 482.32412 LysoPE(18:0p/0:0) 10.35 466.3292 LysoPE(18:1/0:0) 9.3 480.30847 LysoPE(18:1p/0:0) 9.53 464.31355 LysoPE(18:2/0:0) 8.76 478.29282 LysoPE(20:3/0:0) 9.06 504.30847 LysoPE(20:4/0:0) 8.75 502.29282 LysoPE(22:5n6/0:0) 9.13 528.30847 LysoPE(22:6/0:0) 8.71 526.29282 Methionine sulfoxide 0.85 166.05324 Methylcysteine 0.7 136.04268 Methylglutarylcarnitine(AcCa(iso6:0-DC) 2.72 290.15981 Methylimidazoleacetic acid 0.7 141.06585 Metoprol 4.56 268.19072 Metronidazole 2.76 172.07167 N1-Acetylspermidine+N8-Acetylspermidine 0.64 188.17574 N1-Methyl-2-pyridone-5-carboxamide 1.48 153.06585 N2-Methylguanine 1.19 166.07234 N2,N2-Dimethylguanosine 2.74 312.13025 N-(3-acetamidopropyl)pyrrolidin-2-one 2.78 185.12845 N6-Acetyl-L-lysine 0.72 189.12337 N6-Methyladenosine 2.42 282.11968 N(6)-Methyllysine 0.64 161.12845 N6,N6,N6-Trimethyl-L-lysine 0.64 189.15975 N-a-Acetyl-L-arginine 0.99 217.12952 N-Acetylasparagine 0.64 175.07133 N-Acetylcadaverine 0.99 145.13354 N-Acetylglutamic acid 1.08 190.071 N-Acetylglutamine 0.79 189.08698 N-Acetylisoleucine 3.77 174.11247 N-Acetylleucine 3.95 174.11247 N-Acetyl-L-phenylalanine 4.29 208.09682 N-Acetylornithine 0.7 175.10772 N-Acetylputrescine 0.7 131.11789 N-acetyltryptophan 4.59 247.10772 N-Acetyltyrosine 3.12 224.09173 N-gamma-Glu-Gln 0.67 276.11901 N-Hexosyl Alanine 0.65 252.10778 N-Hexosyl Glutamine 0.65 309.12924 N-Hexosyl Isoleucine 1.35 294.15473 N-Hexosyl Leucine 1.35 294.15473 N-Hexosyl Lysine 0.58 309.16563 N-Hexosyl Phenylalanine 2.35 328.13908 N-Hexosyl Proline 0.7 278.12343 N-Hexosyl tryptophan 3.03 367.14998 N-Hexosyl Tyrosine 1.18 344.13399 N-Hexosyl Valine 0.73 280.13908 Niacinamide 0.99 123.05529 N,N,N-trimethyl-5-aminovaleric acid 0.99 160.13321 N,N,N-Trimethyl-alanyl-proline betaine 1.26 229.15467 Nonanoylcarnitine(AcCa(9:0) 6.24 302.23258 Octadecanamide 11.4 284.29479 Octaethylene glycol(PEG-8) 3.67 388.25411 Octanoylcarnitine(AcCa(8:0) 5.91 288.21693 Octenoylcarnitine(AcCa(8:1) 5.23 286.20128 Octenoylcarnitine(AcCa(8:1) isomer 5.35 286.20128 Oleamide 10.6 282.27914 Oleoylcarnitine(AcCa(18:1) 10.19 426.35779 Ornithine 0.55 133.09715 Palmitic amide 10.58 256.26349 Palmitoylcarnitine(AcCa(16:0) 10.04 400.34214 Palmitoylethanolamide 10.14 300.28971 Pantothenic acid 2.37 220.11795 Pantothenol 2.4 206.13868 Phe-Glu 2.62 295.12885 Phe-Gly 2.74 223.10772 Phe-Ile 3.96 279.17032 Phenylacetylglutamine 3.5 265.11828 Phenylacetylglycine 3.76 194.08117 Phe-Phe 4.45 313.15467 Phe-Ser 2.06 253.11828 Phe-Trp 4.68 352.16557 Phytosphingosine 8.55 318.30027 Pipecolic acid 0.94 130.08626 Porphobilinogen 2.44 227.10263 Pro-Hyp 0.7 229.11828 Proline betaine 0.7 144.10191 Propionylcarnitine(AcCa(3:0) 2.22 218.13868 Propylparaben 6.75 139.03897 Pyroglutamic acid 1.01 130.04987 Pyroglutamine 0.67 129.06585 Quinolinic acid 0.97 168.02913 Ser-Leu 2.55 219.13393 Serotonin 2.34 160.07569 Ser-Phe 2.99 253.11828 S-Methylmethionine 1.57 164.07398 Spermidine 0.53 146.16517 Spermine 0.55 203.22302 Sphinganine 9.11 302.30536 Sphinganine 1-phosphate 8.41 382.27169 Sphingosine 8.83 300.28971 Sphingosine 1-phosphate 8.19 380.25604 Stearoylcarnitine(AcCa(18:0) 11 428.37344 Stearoylethanolamide 10.94 328.32101 Succinylcarnitine(AcCa(4:0-DC) 1.28 262.12851 Taurine 0.65 126.02194 Taurine-D4 0.65 130.04705 Tetradecadiencarnitine(AcCa(14:2) 1 7.96 368.27954 Tetradecaethylene glycol(PEG-14) 4.5 652.4114 Tetradecanoylcarnitine(AcCa(14:0) 9.06 372.31084 Tetradecenoylcarnitine(AcCa(14:1) 8.48 370.29519 Tetraethylene glycol(PEG-4) 2.49 195.1227 Theobromine 2.69 181.072 Theophylline 3.02 181.072 Thyroxine 6.42 777.69396 Tiglylcarnitine(AcCa(5:1) 3.49 244.15433 Tridecanoylcarnitine(AcCa(13:0) 8.36 358.29519 Trigonelline 0.7 138.05496 Trimethylamine N-oxide 0.67 76.07569 Tryptamine 3.56 144.08078 Tryptophan 2-C-mannoside 2.3 367.14998 Tryptophan betaine 3.49 247.1441 Undecanoylcarnitine(AcCa(11:0) 7.31 330.26389 Uracil 1.09 113.03455 Urea 0.65 121.072 Uric acid 0.95 169.03562 Uridine+Pseudouridine 0.85 245.07681 Urocanic acid 0.98 139.0502 Val-Ile + Leu-Val 3.03 231.17032 Val-Leu 3.25 231.17032 Xanthine 1.06 153.0407 METABOLITES_END #END