#METABOLOMICS WORKBENCH zys1986062186_20240707_232631 DATATRACK_ID:4988 STUDY_ID:ST003348 ANALYSIS_ID:AN005483 PROJECT_ID:PR002083 VERSION 1 CREATED_ON July 24, 2024, 10:51 pm #PROJECT PR:PROJECT_TITLE An integrated LC-MS analysis of the biometric characteristics of different time PR:PROJECT_TITLE cohorts of race walkers PR:PROJECT_SUMMARY To obtain metabolic changes during endurance exercise, we conducted a PR:PROJECT_SUMMARY metabolomics study in which 19 race walkers were recruited to collect blood at PR:PROJECT_SUMMARY four time points: before, during, after, and after rest until day two using both PR:PROJECT_SUMMARY non-targeted and targeted methods. A total of 859 metabolites and 411 lipids PR:PROJECT_SUMMARY were identified by non-targeted methods, and 465 metabolites were quantitatively PR:PROJECT_SUMMARY identified by targeted methods. This extensive data set provides a valuable PR:PROJECT_SUMMARY resource for understanding systemic metabolic changes caused by race walking and PR:PROJECT_SUMMARY helps researchers identify biomarkers of exercise performance. PR:INSTITUTE The First Affiliated Hospital of Dalian Medical University PR:LAST_NAME Zhang PR:FIRST_NAME Yunshu PR:ADDRESS No.222 Zhongshan Road, Xigang District, Dalian City, Liaoning Province, Dalian, PR:ADDRESS Xigang District, Dalian City, Liaoning Province, 116000, China PR:EMAIL zys196062186@163.com PR:PHONE 0411-93635863 #STUDY ST:STUDY_TITLE An integrated LC-MS analysis of the biometric characteristics of different time ST:STUDY_TITLE cohorts of race walkers - untargeted ST:STUDY_SUMMARY To obtain metabolic changes during endurance exercise, we conducted a ST:STUDY_SUMMARY metabolomics study in which 19 race walkers were recruited to collect blood at ST:STUDY_SUMMARY four time points: before, during, after, and after rest until day two using both ST:STUDY_SUMMARY non-targeted and targeted methods. A total of 859 metabolites and 411 lipids ST:STUDY_SUMMARY were identified by non-targeted methods, and 465 metabolites were quantitatively ST:STUDY_SUMMARY identified by targeted methods. This extensive data set provides a valuable ST:STUDY_SUMMARY resource for understanding systemic metabolic changes caused by race walking and ST:STUDY_SUMMARY helps researchers identify biomarkers of exercise performance. ST:INSTITUTE The First Affiliated Hospital of Dalian Medical University ST:LAST_NAME Zhang ST:FIRST_NAME yunshu ST:ADDRESS No.222 Zhongshan Road, Xigang District, Dalian City, Liaoning Province ST:EMAIL zys1986062186@163.com ST:PHONE 0411-83635863 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 79_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=79_1 SUBJECT_SAMPLE_FACTORS - 79_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=79_2 SUBJECT_SAMPLE_FACTORS - 79_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=79_3 SUBJECT_SAMPLE_FACTORS - 79_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=79_4 SUBJECT_SAMPLE_FACTORS - 81_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=81_1 SUBJECT_SAMPLE_FACTORS - 81_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=81_2 SUBJECT_SAMPLE_FACTORS - 81_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=81_3 SUBJECT_SAMPLE_FACTORS - 81_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=81_4 SUBJECT_SAMPLE_FACTORS - 83_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=83_1 SUBJECT_SAMPLE_FACTORS - 83_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=83_2 SUBJECT_SAMPLE_FACTORS - 83_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=83_3 SUBJECT_SAMPLE_FACTORS - 83_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=83_4 SUBJECT_SAMPLE_FACTORS - 84_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=84_1 SUBJECT_SAMPLE_FACTORS - 84_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=84_2 SUBJECT_SAMPLE_FACTORS - 84_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=84_3 SUBJECT_SAMPLE_FACTORS - 84_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=84_4 SUBJECT_SAMPLE_FACTORS - 85_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=85_1 SUBJECT_SAMPLE_FACTORS - 85_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=85_2 SUBJECT_SAMPLE_FACTORS - 85_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=85_3 SUBJECT_SAMPLE_FACTORS - 85_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=85_4 SUBJECT_SAMPLE_FACTORS - 86_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=86_1 SUBJECT_SAMPLE_FACTORS - 86_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=86_2 SUBJECT_SAMPLE_FACTORS - 86_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=86_3 SUBJECT_SAMPLE_FACTORS - 86_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=86_4 SUBJECT_SAMPLE_FACTORS - 87_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=87_1 SUBJECT_SAMPLE_FACTORS - 87_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=87_2 SUBJECT_SAMPLE_FACTORS - 87_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=87_3 SUBJECT_SAMPLE_FACTORS - 87_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=87_4 SUBJECT_SAMPLE_FACTORS - 88_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=88_1 SUBJECT_SAMPLE_FACTORS - 88_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=88_2 SUBJECT_SAMPLE_FACTORS - 88_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=88_3 SUBJECT_SAMPLE_FACTORS - 88_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=88_4 SUBJECT_SAMPLE_FACTORS - 89_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=89_1 SUBJECT_SAMPLE_FACTORS - 89_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=89_2 SUBJECT_SAMPLE_FACTORS - 89_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=89_3 SUBJECT_SAMPLE_FACTORS - 89_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=89_4 SUBJECT_SAMPLE_FACTORS - 90_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=90_1 SUBJECT_SAMPLE_FACTORS - 90_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=90_2 SUBJECT_SAMPLE_FACTORS - 90_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=90_3 SUBJECT_SAMPLE_FACTORS - 90_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=90_4 SUBJECT_SAMPLE_FACTORS - 91_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=91_1 SUBJECT_SAMPLE_FACTORS - 91_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=91_2 SUBJECT_SAMPLE_FACTORS - 91_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=91_3 SUBJECT_SAMPLE_FACTORS - 91_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=91_4 SUBJECT_SAMPLE_FACTORS - 92_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=92_1 SUBJECT_SAMPLE_FACTORS - 92_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=92_2 SUBJECT_SAMPLE_FACTORS - 92_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=92_3 SUBJECT_SAMPLE_FACTORS - 92_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=92_4 SUBJECT_SAMPLE_FACTORS - 93_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=93_1 SUBJECT_SAMPLE_FACTORS - 93_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=93_2 SUBJECT_SAMPLE_FACTORS - 93_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=93_3 SUBJECT_SAMPLE_FACTORS - 93_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=93_4 SUBJECT_SAMPLE_FACTORS - 94_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=94_1 SUBJECT_SAMPLE_FACTORS - 94_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=94_2 SUBJECT_SAMPLE_FACTORS - 94_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=94_3 SUBJECT_SAMPLE_FACTORS - 94_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=94_4 SUBJECT_SAMPLE_FACTORS - 95_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=95_1 SUBJECT_SAMPLE_FACTORS - 95_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=95_2 SUBJECT_SAMPLE_FACTORS - 95_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=95_3 SUBJECT_SAMPLE_FACTORS - 95_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=95_4 SUBJECT_SAMPLE_FACTORS - 96_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=96_1 SUBJECT_SAMPLE_FACTORS - 96_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=96_2 SUBJECT_SAMPLE_FACTORS - 96_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=96_3 SUBJECT_SAMPLE_FACTORS - 96_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=96_4 SUBJECT_SAMPLE_FACTORS - 97_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=97_1 SUBJECT_SAMPLE_FACTORS - 97_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=97_2 SUBJECT_SAMPLE_FACTORS - 97_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=97_3 SUBJECT_SAMPLE_FACTORS - 97_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=97_4 SUBJECT_SAMPLE_FACTORS - 98_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=98_1 SUBJECT_SAMPLE_FACTORS - 98_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=98_2 SUBJECT_SAMPLE_FACTORS - 98_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=98_3 SUBJECT_SAMPLE_FACTORS - 98_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=98_4 SUBJECT_SAMPLE_FACTORS - 99_1 Sample source:blood | Collection_time:rest RAW_FILE_NAME(Raw file name)=99_1 SUBJECT_SAMPLE_FACTORS - 99_2 Sample source:blood | Collection_time:stat RAW_FILE_NAME(Raw file name)=99_2 SUBJECT_SAMPLE_FACTORS - 99_3 Sample source:blood | Collection_time:rec3 RAW_FILE_NAME(Raw file name)=99_3 SUBJECT_SAMPLE_FACTORS - 99_4 Sample source:blood | Collection_time:rec22 RAW_FILE_NAME(Raw file name)=99_4 #COLLECTION CO:COLLECTION_SUMMARY Sera were collected from 20 male student-athletes with the informed consent of CO:COLLECTION_SUMMARY every participants, and the study was approved by the ethics committee of CO:COLLECTION_SUMMARY Shenyang sport university (No.2022-6-30-01). Samples were collected at four CO:COLLECTION_SUMMARY different time points. The first point was fast samples collected before the CO:COLLECTION_SUMMARY race walk at 8:20 am (name as REST). The second point was collected at CO:COLLECTION_SUMMARY immediately after the race walk exercise at 10:30 am (name as STAT). The third CO:COLLECTION_SUMMARY point was collected at the 3-hour recovery period after the exercise at 13: 30 CO:COLLECTION_SUMMARY pm (named as REC3). The fourth point was fast samples collected at 22 h CO:COLLECTION_SUMMARY post-exercise on day 2 at 8:20 am (named as REC22). Blood were collected in CO:COLLECTION_SUMMARY plastic Vacutainer blood tubes, allowed to clot for 40 minutes, and then CO:COLLECTION_SUMMARY centrifuged at 13000 g for 10 minutes. The sera were frozen in dry ice CO:COLLECTION_SUMMARY immediately after collection and then stored at − 80°C untill analysis. One CO:COLLECTION_SUMMARY athlete quite during the study (No.80) and the data of heart rates in each CO:COLLECTION_SUMMARY timepoint is shown in Table 1. CO:SAMPLE_TYPE Blood (serum) #TREATMENT TR:TREATMENT_SUMMARY There is no treatment involved in this study #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The aliquots were thawed at 4 ° C for 60 minutes and then gently blown with a SP:SAMPLEPREP_SUMMARY pipetting gun to allow uniform distribution of the sample. Then, 120μL of serum SP:SAMPLEPREP_SUMMARY was transferred to a 2 mL EP tube (Aixgen USA), and 480 μL of methanol was SP:SAMPLEPREP_SUMMARY added. The samples were vortexed for 5 min then allowed to stand for 10 min at SP:SAMPLEPREP_SUMMARY room temperature and centrifuged at 13000 g at 4 °C (Thermo Scientific, USA) SP:SAMPLEPREP_SUMMARY for 10 minutes. The upper extracts were transferred to a 1.5ml tube and SP:SAMPLEPREP_SUMMARY lyophilized for 3 hours in a vacuum freeze dryer (Labconco Corporation, USA) and SP:SAMPLEPREP_SUMMARY then stored at 4 °C until injection. Prior to analysis, the extracts were SP:SAMPLEPREP_SUMMARY redissolved in 500 μl acetonitril-water (1:3,v/v). Quality control (QC) samples SP:SAMPLEPREP_SUMMARY were prepared by mixing equal amounts of samples. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Waters ACQUITY UPLC HSS C18 (100 x 2.1mm,1.8um) CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% acetonitrile; 0.1% formic acid CH:FLOW_GRADIENT 2% B to 98% B in 10 min CH:FLOW_RATE 0.4 mL/min CH:COLUMN_TEMPERATURE 50 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS - #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples 79_1 79_2 79_3 79_4 81_1 81_2 81_3 81_4 83_1 83_2 83_3 83_4 84_1 84_2 84_3 84_4 85_1 85_2 85_3 85_4 86_1 86_2 86_3 86_4 87_1 87_2 87_3 87_4 88_1 88_2 88_3 88_4 89_1 89_2 89_3 89_4 90_1 90_2 90_3 90_4 91_1 91_2 91_3 91_4 92_1 92_2 92_3 92_4 93_1 93_2 93_3 93_4 94_1 94_2 94_3 94_4 95_1 95_2 95_3 95_4 96_1 96_2 96_3 96_4 97_1 97_2 97_3 97_4 98_1 98_2 98_3 98_4 99_1 99_2 99_3 99_4 Factors Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 Sample source:blood | Collection_time:rest Sample source:blood | Collection_time:stat Sample source:blood | Collection_time:rec3 Sample source:blood | Collection_time:rec22 2-Piperidinone 166046940.5 134283398.1 99100284.57 216674741.1 54536942.41 108160052.2 241786334.5 129526776.8 210333482.6 154114800.5 83413142.88 109815509.4 15881813.32 25699535.31 15694096.53 18132479.08 106084460.7 60745544.76 32763337.89 97581681.94 105758437.8 97515054.58 64815822.86 279862372.4 287624537.5 471298006.4 452150441.8 52102764.76 28732971.04 43387766.35 22109548.21 379559850.6 784890788.6 615222275 695940636.2 446247426.9 265425030.3 224523032.4 120934076.7 119764209.9 117217304.9 91318288.81 54464989.34 70021748.01 141147529.5 235976837.5 127085743.8 33110218.15 342257114.9 320040077.3 284311012.2 230623714.6 626925384.6 567949401.4 315119816.5 167906573.8 136985282.1 182026141.4 125032324.4 626068312.1 110219188.4 175935489.9 146835643.6 74029266.45 488184909.2 558757368.3 905012699.7 393173608.1 129923936 147637650.1 115838444.5 188492253.2 441967327.5 336883509.2 228856356 188470184 Hippuric acid-D5 372067633.4 403282378.9 339644285.1 387527185.4 389538786.6 384116820.8 381184407.7 369283322.7 400992961.8 403280237.4 397312117.1 381283847.6 384151885.3 390623707.5 377639904.6 371297339 368620025.6 388758026.9 361035444.2 344434112.2 395981429.3 370162188.6 372212029.5 362083548.1 352497097.4 341332623.1 351510895.1 396076206.8 399011784 398789421.5 337380804.5 396605350.8 396973850.9 352445931.1 386021230.1 370795369.6 370608891.8 397113248.7 365250851.5 376391036.1 404080357.9 372993517 374868502.6 407071738.3 394682083.3 353666317 398013785.9 364500468.8 397103056.6 404451408.5 370208470.2 394511581.6 374433302.1 390770053 360284708.8 359334155.9 399554658.3 412707034.5 401603583.4 408203979.1 395118637 401616405 380501953.4 364144440.4 357304790.8 382782433.1 408882859 374902429.9 395083605.4 373199005.1 410773457.9 406985389.5 386560292.7 366572302.7 381762016.9 379350047.1 Choline 757738060.7 812130079.7 755252801 630314257.2 486580973.7 529456017.1 592584123.6 529385938.9 560174616 546453670.2 537562444.8 660122807.5 823125615.6 798282323.3 714947107.2 734739305.9 660262601.3 576213101.4 638501001.7 596880917.4 651714124.6 543483250.7 693594428.8 657235697.1 577312893.7 516086493.1 516645445.8 587680848.4 597822597.9 631762864.6 648724585.6 725761079.3 636865267 482926156.5 745463148 742337982.4 600863738.8 651127412.3 527383429.2 634918586.2 717507284.5 656658254.5 633146154.4 607221624.4 639989624.4 647453513.4 600208085.5 716420225.9 556707502.1 633852831.3 664646325.6 624145406 684772907.7 554084251.3 680192838.6 611543515.2 668571364.2 511835847.8 502426029.5 623728911.8 603174408.3 686223803.7 554874455 654838073.3 621629446.6 705203930.5 672477847.9 780547069.5 528604422.3 553150362 493653025.2 574886475.6 601442755.4 484774264.7 508016309.9 619145499.8 Cytosine 556759.2318 337699.1366 226452.9567 319376.9667 53507.5664 306923.3174 147376.341 166277.8022 45801.51824 185121.8336 83761.41884 54010.21724 397709.6238 435971.5533 698706.03 825436.2909 249449.1578 86234.22967 688729.0624 159430.9021 146668.8209 658452.9516 58552.79168 346775.5542 319615.7249 45818.83457 96654.59383 148344.5659 10440.65814 277006.2324 317548.5745 614453.9574 471542.1692 96518.60298 196898.3551 200486.0053 95404.56607 379692.2626 478909.092 386470.3481 24800.23505 445197.1933 300511.3129 333014.1346 82826.56628 177919.3751 369284.4539 327560.5497 302693.8265 42739.93837 241587.599 252176.9535 53924.07381 243181.2036 57498.20717 141495.203 240569.9008 599558.688 87691.24442 9542.110238 305771.2607 288591.0948 312757.1151 252564.3716 87722.63459 521018.4651 22222.73499 517713.5161 54778.52491 322683.3677 56423.96092 28559.55695 5777.674681 127381.3743 58919.37803 539234.2805 2-Chlorophenylalanine 611670708.8 649135629.1 563643995.4 627531729.7 641149177.4 642678367.5 646011134.6 603954043.9 645826597.8 646019071.4 632539479.3 627466972.9 631738947.5 630129344.1 635929225.1 614753179.1 615572449.7 640443081.7 583560753.9 574426235.1 648640498.4 614131788.7 626362182.1 610488651 594031156 583867324.7 580129376.6 674348874.2 663967587.3 674989410.1 601324668 684467261.5 640964597.2 581613169.4 635119046.1 605541625.6 620740395.5 650720417.8 609762229.3 624621484 665753696.4 615886686.3 607584359.3 657200021.3 671412430.7 593069742.9 663516182.9 593687883.2 644090795.8 665498496 606382264.9 652943464.9 622519793.9 644907782.6 589253499.8 596801001.2 664336380.9 653024370.7 661304221.2 662235928.8 661480229.1 660740474.8 631874397 616820839 587205613.6 601399883 667663763.5 602089176.4 653664317.1 612262338.1 651143738.5 671046124.1 653497018.8 594217552.7 637439425 636436559 1-Pyrroline-5-carboxylic acid 12174723.87 13263038.13 11982418.93 18389334.07 13460070.27 13860754.77 18950347.25 21515647.94 15014732.7 19286762.05 12323664.77 13391008.53 17627970.23 11391755.89 13929753.12 12189579.34 14215816.46 14049728.78 15724803.91 13015739.03 13334073.67 13585482.73 14931669.6 12080088.56 15233135.9 13549180.73 13869363.49 16120033.33 13918609.82 11479903.38 12542794.87 14074714.98 16099550.71 13142815.78 14495503.86 12616718 27378508.2 13196965.49 13808590.37 12875396.85 12648548.24 13537934.91 18478252.06 13393665 11734005.91 20227196.68 14011891.39 11923358.62 14779640.68 15490134.68 12959432.44 13219379.28 14758085.26 13779878.63 13941930.39 12257725.59 14326434.8 14270886.68 14344972.49 14324724.11 12875332.87 13616454.12 12778158.86 13364928.32 14081058.69 13582585.92 14777173.86 13679902.26 17224563.45 13142627.47 13271637.85 14864175.89 14451934.56 16746113.19 12854140.36 15405081.48 3-Amino-2-piperidone 623584.8395 721045.6335 775901.945 150319.8635 480646.8313 546927.73 827702.5869 448091.8845 833305.1461 831710.1382 656967.2187 835997.1225 759777.2118 550314.0774 857798.9256 622763.1613 618631.4587 533136.0039 588959.0726 588749.1413 768212.2541 443081.1891 593227.2498 459237.072 751616.8735 570144.4892 1063507.833 50914.0927 508444.3934 422927.8394 879036.8369 757929.7811 604891.7177 339083.8746 776785.4761 591836.0267 778861.0794 1028592.177 1154536.642 857355.8805 1040013.349 999524.6486 1542142.344 1081072.909 858274.3637 709558.4647 988816.8055 526615.5662 713554.9468 545634.087 635365.2737 763776.1614 775478.7748 480811.6736 995953.4031 506482.5048 672393.5234 571963.1153 830527.1223 711077.1014 1048085.746 755344.9381 1043173.555 762743.4665 631984.4875 524312.7573 682037.0735 565930.2203 534165.6385 605220.6652 360545.5712 588483.8361 1165444.58 672059.3271 748706.9848 812136.1886 Betaine 3470460253 3339680748 3775565320 3628774819 3399312285 3084557455 3444547619 3117803187 3750863216 3260123689 3173093305 3503990715 3587120404 3503644788 4157152246 3657493636 3211451130 3285488634 3337509700 3327169408 3987479945 3175721419 3413238089 3478590597 3950511242 3152699484 4095486323 3794395710 3865566914 3249198327 3904208017 3861103140 2997779433 2499584139 2692571195 2646862202 3507764031 3387910376 4008454313 3706318420 3587781211 3074684466 3686147312 3800160204 3514849559 3683236095 3755663658 2969718270 3558692340 3457006125 3709093763 3769388952 3785624057 3771884309 4339645712 3884775793 3379321692 3286633121 3344196812 3558421762 4319261111 4087298754 4352216715 4279005816 3522046526 2956061161 3800615739 3176508367 3454823018 2963114270 3283128969 3565484887 3457010817 3365610114 2933916491 3671314674 Lysine-d4 8248234.078 8637064.799 7654715.455 7860807.69 8161542.177 8176983.681 7982416.283 7648137.662 8016323.929 7778254.23 8567268.337 8633828.018 8507472.299 8574439.627 7993052.934 8365764.158 7773923.692 8051974.484 8093691.6 7690274.949 7981710.056 8094147.39 7574920.598 7653344.215 8444914.105 7731926.812 8548235.624 7487694.316 8692481.05 8058648.187 8084326.76 8611643.373 8575054.585 8267662.389 8174178.11 7992173.104 7743213.32 8556112.952 8476196.385 7515709.142 9579055.455 8634275.729 8821037.37 8840622.716 8936990.372 8361665.149 8096957.382 8801163.959 8908440.722 8459564.095 8042966.194 8405725.401 8471634.756 8470532.586 7930917.777 8581824.311 8337840.095 9156728.183 7879117.333 8696548.55 8314853.036 8205543.925 7743277.612 7070417.115 7877498.849 7693425.444 8479499.082 8002265.642 8296656.061 8407941.49 8561039.989 8575523.685 8970674.876 7498196.502 8000254.221 8339272.79 Urea 31061788.56 31993436.54 31726777.9 43149588.95 20467695.63 19027217.84 19842129.19 15671038.42 19675129.8 24862077.74 23429247.41 15306290.64 10126780.9 16796264.11 22350845.75 14555706.25 9119778.875 17605142.22 13670204.37 8501247.062 32416788.46 33774879.58 33300440.81 17569491.47 7008804.215 7501188.528 6853311.586 8578615.86 18667373.77 22184298 19100495.04 19188946 23237998.89 17739973.59 20628223.14 15455461.63 19218532.45 22208559.18 26535941.67 14641298.3 17091922.41 17474540.63 17479024.76 21486193.45 28451555.18 34975733.7 32301982.47 25822261.01 33872269.76 30505518.88 28586798.12 31793537.19 16132834.9 28902516.85 22204289.34 14256276.8 24177228.24 32602776.79 32458781.88 27033787.45 20337476.56 23045433.56 24830118.04 17402066.52 31277421.43 30382425.56 35956837.31 26697343.38 27269734.1 24779253.48 26748514.36 30641651.04 17452444.41 19390313.36 21716035.67 18030463.82 Niacinamide 22133363.86 48415263.49 22074474.34 17565723.5 18201909.12 24921439.46 13104989.79 11253167.72 17558508.91 22544768.78 16385024.61 15095014.53 14753400.41 17036950.4 10199403.12 13676388.76 12133810.57 27440525.87 13124860.85 20898947.56 14745054.66 34905563.79 17087488.59 16332890.67 10628709.01 15953095.29 12118123.91 16926778.22 11838580.6 20159383.9 13987527.55 18165763.41 12702016.84 14156624.59 10052066.74 18961531.97 13248762.6 11177644.93 13562431.53 13341743.03 11620252.35 23895368.05 16206644.2 15231065.2 16792128.75 18694601.31 19557903.42 13354727.99 20466047.98 10811565.82 18402904.23 10746001 11346935.27 12101114.8 23026640.66 11035903.67 21322480.49 29501243.57 40889892.43 17326379.45 14934875.94 20031290.03 22919055.18 12240413.52 14338112.89 9599099.727 16667445.98 15798633.28 13682196.14 16376996.42 23872196.09 13043979.69 13600335.25 12143461.79 17875277.99 14854334.68 N-Hexosyl Leucine 1825756.88 4857291.069 9988346.484 10380032.59 1623933.13 3710816.829 7319476.236 7573679.11 12450744.43 3824881.385 3605124.229 5841372.299 13795545.38 4092207.994 5321430.425 4976811.7 12000267.48 2848371.662 4256077.857 3312217.513 5080939.022 2502265.041 5068053.559 4914414.467 5050435.773 2443343.366 6395002.907 6835519.361 3244628.029 4441757.506 4688106.407 3733915.049 3626949.735 6357147.852 1788518.383 5255749.728 2223107.116 4155763.637 5943735.104 9425033.344 1046848.029 4187904.081 9690407.294 3421648.835 4406212.304 7083664.424 7398600.856 5545454.157 8606580.255 7476959.468 3933570.986 7083283.987 3782068.361 3335983.244 8573519.533 4125989.37 4814000.092 3063043.62 14983920.85 4598603.23 4459769.211 2616183.897 5960639.024 5298496.528 7960658.23 2616010.438 6461381.28 6218930.975 8847056.899 5437437.811 5259271.609 8600975.752 3234947.178 3705487.943 2675159.642 4139606.98 Pyroglutamine 84521870.22 108064446.5 94952973.56 91683301.55 100320452.1 108975232.7 99006196.64 82321404.62 64119037.07 69992468.93 53451495.71 62171121.74 25434405.38 27535476.82 25412524.1 25696417.5 32784653.31 37134002.48 31777060.95 29088531.01 71378508.74 72055639.69 75780631.69 76208591.93 35011485.55 35881670.41 33994070.68 37667392.69 43987154.59 49819050.77 40911237.61 39726590.97 43148802.48 41276572.9 45691883.12 41402893.01 51491572.02 60399967.22 56848769.49 45039424.07 62127833.02 73673925.65 61959715.33 63502881.78 157156719.1 173323315.2 158434101.5 145752507.9 57629819.49 65116323.68 51744484.98 54974837.28 104210421.2 120629675.9 111282651.1 98422155.26 57405485.22 62514781.28 57075412.65 52973725.24 80580321.42 86056693.46 76808880.98 70466083.11 40629370.97 47569586.23 40312835.1 35997691.7 29651133.81 27605792.02 26056648.83 25068912.98 71305483.15 71861755.71 65032550.67 62796733.9 Dihydrothymine 5573984.324 12464065.74 4983447.374 6555712.796 6304066.171 9891646.202 4640022.82 5810229.751 3846683.201 6537333.097 4753946.297 3745979.091 4471942.879 7473967.398 4377358.408 5621547.098 4630917.254 7629815.673 4475236.799 3752104.566 4675690.231 7822616.955 5046897.731 4141571.124 4563303.612 5723753.062 3160975.946 4370622.274 4915572.551 8246412.351 3441535.763 3753662.934 8172486.453 9272214.01 7570874.226 6450485.626 5427892.218 9275402.404 5264156.059 5711722.158 5497959.258 9545615.016 4570279.391 4410083.722 5327597.93 8314043.922 5550447.112 6734119.831 5468457.181 10519469.6 3963219.719 4170402.955 3854409.215 8373195.061 3691416.713 3805990.969 5418735.976 8524994.497 5936405.009 4048924.796 5420326.623 8141139.981 6155715.772 3597633.271 4781601.811 8060280.774 5446130.057 5445244.7 7283246.051 8142605.822 7012066.247 6276291.989 7103895.022 12552984.62 8537138.471 7274395.301 Tryptophan 2-C-mannoside 411209.0163 778583.4584 507812.1145 352927.5873 286007.6898 451152.4732 308622.3657 234793.9539 274029.6551 427913.9134 362909.1866 357958.7081 372786.9912 461688.2369 447514.5856 490123.605 405873.6628 455761.5038 475333.4253 354845.9161 375138.9236 468202.5526 467063.7278 382393.8722 460727.497 319580.5125 468342.1011 384692.615 413152.1168 628467.1551 449944.6735 402989.165 319727.7638 348474.6139 523725.405 422450.531 335485.6556 526179.4187 318978.502 261129.6406 413269.3112 591570.2501 414400.345 361929.1727 351280.4116 579091.4458 465791.2617 409806.0798 7044.471392 566191.6243 421801.1432 222768.0728 407590.7434 459275.3579 472405.6609 117003.1558 400463.5006 532300.2544 442000.225 399458.9491 285567.0121 524861.8076 355121.2942 299427.3081 325830.0614 526118.7349 438003.4639 403722.062 780.7053855 512198.8748 401607.9585 335661.646 330665.8516 672471.7426 548765.1207 419940.6031 Glp-Gly 8425499.461 9800053.446 7883878.315 4008388.415 6784044.919 11701963.13 6120315.137 7056801.943 8706560.184 3987065.895 8063357.462 7312379.393 8553212.974 8076141.022 4644470.674 5967120.207 4001075.158 8138327.876 6407780.834 3918500.252 9440569.517 8350860.22 5250163.779 7640241.493 6876564.674 7298654.641 5172522.517 9121630.76 4105527.509 6242026.436 5620159.048 8997186.085 10352900.62 6848082.468 8424027.729 3579552.98 6925182.247 8247032.803 7405890.505 5537285.233 9395093.655 8757388.106 6429230.48 5813796.87 8356364.897 5688044.335 5212122.528 6253614.999 5465990.962 4890057.235 7091471.266 4536983.457 6323233.939 8280880.641 4456654.085 3727270.833 5961383.611 5585639.93 3999282.186 7419510.987 5504848.006 7205647.84 9680033.853 7075012.079 3765703.692 5513601.838 8373145.671 4489296.918 6208478.809 7588044.36 4391900.921 12723432.9 5072169.12 5551040.813 4780452.196 5052233.284 N-Acetylputrescine 63632.99873 122143.6417 46217.19171 72071.77599 61454.86217 71575.02849 29880.80247 82316.29452 45489.81686 30600.3473 35420.58214 82415.67407 26871.34431 197357.5627 183735.4322 57006.92942 110066.2061 180130.551 53802.98543 36810.96707 71146.63754 59603.19865 20679.75622 43911.12115 43910.11385 48569.28074 234155.4826 161979.9384 55711.03235 106583.0358 77706.37439 26002.06159 44801.88407 24614.52325 106893.5856 64471.76885 75101.15648 137900.2431 98182.08057 52919.66352 59722.22668 183796.0409 41840.10428 58011.09358 42531.92044 67314.14134 20516.67644 32479.75668 20965.25218 48557.64593 23801.36394 32236.32934 50056.77202 154451.5863 79036.56615 122398.7621 160785.8539 89891.205 82918.60014 48281.95585 111558.1333 152660.0586 43872.80023 58689.44706 81425.46646 42640.37361 49845.48848 43385.62264 78800.88819 57818.56689 42526.43539 55207.21993 98054.55708 105407.1687 87112.03392 66856.93534 Creatine 285153892.6 565715922.7 489667869.3 314241143.6 350173324.7 362577240.7 353071440.5 232119456.6 420029444.4 400948296 264754729.9 305021879.7 692143405.8 902915478.8 792253514 484748617.4 583621730.7 653813723.9 631050299.7 466750631.9 581361295.8 640720562.9 544423708.4 442311633.8 439339487.8 362985665.3 447374495 527474640.7 346687202 322095958.9 320781488.8 382098257.8 281643659.8 296195822.8 271823443 262329181.5 409885341.1 595637640 568335606.5 474399398.3 242956829.1 284976770.3 312384556.9 245405832.8 254612017.5 358314014.3 334315135.3 212621280.8 438045021.3 808802122.5 648439458.7 497215819.8 133829429.6 157802627.6 222207759.7 124258945.6 765876635.1 731160667.6 783966238.8 822888085 262099497 237754243.1 281024164.5 208905387.8 694738460.2 689418491.4 864077513.9 716180052.9 782116602.4 874588664.4 692935876.9 931872501.4 213802114.2 266953725.7 254360383.3 206828855.2 L-Isoleucine 6994372245 5324205512 8862197994 6180736404 4480072362 4646041796 7666097427 5170293638 8320067352 5416242861 6027047484 8613600622 7232752043 7309807085 8112620236 7202547975 6635771958 5854761316 6275279968 7006486106 8100003697 5852923625 6784375582 7605153892 7019391488 5006469501 8596011091 8937650000 7513237320 5635969765 6812813112 7860887128 5450325417 4138929491 4709617744 5283086477 5977329861 5398808493 8025847767 7130641597 7503252451 5217898233 8128987605 7903949721 8490048208 6714902945 7603764003 6325866376 6068678130 6977191493 7590791879 7509641873 7396522598 4758848727 8740186216 6809091965 6991378137 5047713181 7138269846 7577444286 8196460875 5702034964 6935987337 7277131996 6864762311 4866653187 8180531633 6908334601 5615837549 4774568260 6466743294 8031750776 6225143764 5201658961 4937569366 6148879800 L-Leucine 6978364740 5311946722 8841793106 6166504542 4469757158 4635344454 7648447862 5158382063 8300910746 5404199440 6013170677 8593768121 7227108730 7292696684 8093941223 7185988420 6620651464 5841281084 6261161181 6987208817 8081344023 5839447482 6757173893 7618990012 7003063324 4994941701 8576219088 8917071386 7495967092 5622977453 6797126868 7842787722 5437725337 4129399757 4698774021 5284098780 5964792627 5386382697 8005198883 7114279476 7485976493 5205896084 8110270908 7885751166 8470500181 6700373215 7586359017 6312934300 6058595296 6961126760 7573445168 7492351233 7379492375 4747891641 8720062255 6800906054 7002108252 5036091006 7123432243 7560061613 8177588823 5677075399 6920124463 7260376664 6848860569 4855447895 8161696313 6888666538 5600236395 4763574990 6450909459 8013181210 6209211918 5189682329 4926200794 6128122983 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid(CMPF) 2939136.398 3853681.83 3374740.164 3354538.204 1976481.81 2018413.424 1850461.356 1777602.572 3109275.798 3248806.718 3333092.843 2905279.296 1246752.754 1408355.287 1464870.798 1481384.039 530925.6974 711114.4796 691628.8144 619329.5098 1012097.187 891691.7611 855051.4261 717768.5409 1083043.826 1167989.806 1185443.724 1355957.433 7209286.382 8029706.743 6783827.101 7028887.163 885350.3203 804922.883 823345.2339 950138.6395 2233384.018 2326844.391 2115976.279 1857121.488 1503692.394 1665686.462 1321962.768 1541455.735 3336037.95 3573013.384 3496504.325 3206225.582 1461616.105 1608933.197 1141871.11 1530637.447 2110148.82 2478345.943 2086907.662 2048786.174 2253333.049 2616331.972 2415439.417 2473283.313 2727479.177 2732223.117 2661626.532 2288886.8 2952230.037 3083593.697 2974272.093 2926624.497 2556825.826 2474434.646 2875503.46 2445878.94 2584359.698 2495561.316 2462895.005 2110474.593 Propylparaben 89158.41034 40635.44792 40403.52843 1.12587499 51013.28243 42061.8654 98376.64737 101094.3836 70654.39033 1.125822794 1.125822794 1.125822794 137049.7862 30257.61341 38471.61651 29316.42555 1.125822794 1.125822794 1.125822794 107883.095 59529.00605 59534.63516 67981.68358 96003.26163 35689.70839 45689.26644 74378.6087 60926.15213 11780.60971 114108.8951 160488.2909 234486.3715 50584.34395 281162.9845 150707.1425 47579.52291 111351.8611 1.125822794 16162.31203 180491.9103 67119.30332 1.125822794 111091.69 17652.90141 19286.47028 14292.32037 30115.75974 81199.96901 53036.386 93713.48936 1.125822794 1.252100105 202749.4269 109955.7348 29449.27264 79158.85228 83648.63358 27142.46174 43604.24263 204346.9695 22543.47562 28252.52301 88354.57312 31036.68278 136781.8403 130391.6702 130427.6965 82682.67763 103323.5127 1.125822794 132105.1725 149807.6101 69921.47626 1.125822794 1.125404076 1.125822845 N-gamma-Glu-Gln 11945846 13887069.27 13209916.72 15046095.06 9964286.441 8586172.248 9064727.23 7996905.293 10731531.07 9090744.719 7564548.798 10851584.22 10643688.18 8155364.901 8075143.566 10870748.77 11536968.12 12397545.16 9773941.912 14284684.94 14078147.42 9921257.244 8959729.261 10842482.95 8878993.916 6582649.213 9198830.207 12075101.76 10210545.85 7929639.807 7797264.494 7844425.866 15603274.24 14831239.82 9807866.367 10814634.14 6566728.949 8574720.54 11946941.04 8358109.659 9192064.984 7113666 7350407.514 10891770.17 7876240.77 10913107.45 8317404.603 10345458.56 13578605.43 10118063.54 9300300.154 10608960.17 8637668.906 9202732.824 8849042.046 9288542.857 9920031.156 11420255.13 8718889.265 9009121.082 12176195.92 10144251.59 12433567.17 10722500.47 7868857.002 5617552.178 8491014.03 7515378.306 15049747.15 7918222.263 10858835.43 8114563.048 12480544.53 10988340.19 9333797.116 14327452.99 1-Methylnicotinamide 2270079.412 1246297.484 703546.0891 502995.996 838134.8655 1059648.494 1740046.389 2378292.452 2892369.574 2155164.553 1934204.332 6031420.807 2566671.588 1904292.385 636641.7829 2786947.543 2967513.051 1140899.427 1646054.11 1963162.301 1806477.202 631265.544 1293534.865 939753.9718 2978018.793 2281535.862 922298.6752 1524671.182 2020586.765 2063228.071 958633.7404 2899745.67 5358808.57 3962799.515 2157308.256 2678968.252 1325997.079 3047198.661 540396.9176 1379139.132 1334126.058 868844.9569 1674086.071 1166340.165 2817841.437 1630674.59 763521.8199 1658999.238 1388305.31 1756090.196 501256.8596 1232027.775 1227543.58 1385977.804 631153.6639 3349832.363 2682532.433 1791857.868 1060459.625 2039740.241 1553050.771 925119.6537 388981.1728 779391.8138 1186346.726 1253337.939 1211478.795 2602061.664 2319935.987 1079309.426 1231205.656 8665460.205 3593593.152 1496896.702 1662129.883 3294452.707 Trigonelline 5410939.704 7862829.301 16108880.31 5498064.485 56702923.63 73941616.01 50796360.66 16845322.8 5042056.933 9789139.56 6715716.934 5123408.336 2069742.758 3676079.018 22423926.46 3987465.628 5995590.459 6261667.519 18801398.61 5357295.218 7079341.958 8124385.189 11311547.68 4985646.293 8316321.519 10561879.05 18675655.65 5970514.831 5342635.556 7004925.221 22298596.69 4884357.761 7755485.575 6525962.114 18711622.93 4577236.731 7383096.174 11416511.05 13705156.3 5046369.534 2176208.872 5280456.315 17004763.82 4483092.657 5864837.533 7578528.962 25488254.41 15911287.45 5748049.49 6252867.315 19151924.32 5374739.549 8602250.208 12535067.44 29308994.12 7012563.708 4993785.803 5950264.036 9834082.707 3909142.427 9557320.556 13179836.79 13609474.49 10153566.48 5157962.778 6046401.015 21219766.74 2580124.254 8292036.194 8925540.395 11919997.53 3843506.216 5563735.563 7996553.913 6884630.547 5472009.306 Urocanic acid 11236689.19 8738813.868 8584371.13 11804596.1 13873441.51 7721664.616 11441324.04 10561132.5 13316505.27 5916065.74 9047849.019 9743505.102 14254438.05 11585530.54 14847856.56 10790645.56 11242511.85 13482853.27 13408337.76 11510336.32 11196404.62 18927179.82 15279744.76 7879129.582 13278223.41 7888411.08 7784330.256 18499903.34 10134759.59 7641427.984 4868743.638 7838898.147 7477291.479 12428815.85 5417317.59 8805469.839 10485708.53 10892881.92 15938625.78 10821116.97 9236209.819 6311069.608 11124299.17 9080006.938 12997252.68 8436403.874 7590506.789 6623937.486 7830949.277 6997315.969 7180853.241 8499146.46 16023841.53 18305187.82 8735905.026 10143486.65 10364220.7 7415264.061 7338447.593 6826840.764 7027088.235 5722576.484 6639150.229 7214121.94 13178334.05 14011581.24 13252070.89 15652021.49 8026893.571 7404135.38 8181082.882 8803080.524 6713821.064 8977660.939 7487120.236 14293251.09 2-Aminonicotinic acid 7479199.659 6123943.842 7119050.59 3274979.393 2857626.388 3930114.073 6800627.435 3051870.176 4690887.51 4415622.556 4245616.037 3566345.89 2909387.749 7389876.009 6140095.072 5620116.498 4819534.783 3211847.432 8890297.963 1318077.275 3983886.73 4704919.046 3568728.196 1945913.698 5296197.951 5299546.587 7463593.061 4105387.837 2542850.943 4708614.192 3607565.916 3992086.469 2229545.864 5021367.352 4458170.678 4309266.853 3026924.496 5944803.152 4707639.828 2616718.556 1291318.079 5142915.33 7037793.518 3974863.503 5059134.442 5544608.664 7320556.816 4108985.107 2292822.77 5899099.376 6100528.222 4861930.632 3544732.59 6034636.806 5595749.331 2828678.858 3558669.994 7828624.061 4834335.884 3558970.518 2638876.693 4131285.822 6697999.608 4367195.836 3646716.646 6861270.542 6836858.143 5621209.987 1759430.704 3341055.708 5960541.467 6394024.567 2612317.804 7332464.676 4791556.283 4221943.065 Methylimidazoleacetic acid 12276309.19 21060740.22 23677606.36 17541262.56 18307484.97 19855411.35 17288803.96 11859893.74 11465148.36 13439401.38 11087137.58 10785291.39 10134626.5 12279293.78 14628718.84 9486776.519 13930570.43 14328054.39 13343419.3 11576823.27 11613227.69 13755688.28 16386897.91 10349814.47 11742435.13 11535551.02 10541170.39 9609751.846 10731425.09 13067077.05 13355275.3 12851484.26 14750151.27 12291192.44 16214811.83 9971460.444 3943900.298 10755805.69 12445344.2 10801230.36 12959053.92 14805046.65 12468126.49 14040913.85 15422009.92 16718050.2 18424259.94 12112274.95 9992025.125 10124069.31 11936511.71 9814781.503 10779781.89 13810692.8 6149594.852 9919016.835 13016846.1 16091699.57 15639948.73 11823092.42 9827106.818 13553559.87 12370754.32 10296231.79 10414275.8 9149526.062 11721394.19 12018649.39 8772999.701 9748870.978 10727744.81 17238271.36 11791760.21 9407006.273 12317617.15 11965910.27 Tryptamine 925348.2881 286901.5119 1190663.014 61119.28852 1015788.097 90241.88198 86086.69502 783089.6182 715316.408 1211074.772 566664.8604 122277.8696 1115013.054 819510.7432 761901.0957 773122.0164 614167.5425 772024.2543 822185.085 155537.5148 1420589.128 91014.59934 141202.6784 607479.2972 2333747.687 116626.6555 2708425.609 2279007.98 1239079.655 1837368.92 1341828.454 66552.58013 1045607.953 223815.1487 1002317.471 367330.6489 745963.2997 1151198.332 1141018.683 198211.1425 279072.3307 499464.6403 369187.1047 564641.2375 304932.6085 1211362.284 1096132.325 1062449.078 996501.1348 59728.76622 1197378.496 173720.8646 820216.9454 1194271.438 989384.1558 733408.969 860898.5987 894809.329 361414.4154 1111750.749 972752.3157 437120.7116 457849.2281 702563.3467 721899.7397 1133231.869 822905.3577 935080.2445 987670.2299 1043277.492 750279.8912 604705.1382 880625.0188 1152754.32 791290.2556 137178.6675 Proline betaine 143574875.6 187705633.7 204467373.5 135627501 98094870.02 150471372.3 166949552.9 97003124.11 66604055.36 91637331.11 68563312.26 76684483.14 145545271.6 166177034.9 145417909.3 117874194.4 330391182 270214651.8 269344676.1 181452407.1 261210699.8 255206798.6 247734935.6 194103882.7 105578875.5 149040634.5 154995267.2 139741518.3 96645282.77 127724786.8 170300922 78036029.63 96315625.16 88953077.47 158780052.3 90165830.49 405308874.1 611938572.9 418142283.8 359635531 181450899.4 223207714.8 206236988 154013594.4 115785039.7 124638325.5 181815695.2 143689296.1 95632982.83 154485050.9 151293304.2 99095684.26 317888357.6 355784042.3 330862887 195121697.2 96286882.61 108618134.9 128240338.8 81599082.91 68510578.69 107419600.1 73163621.58 85311188.58 226102474.3 326490171.6 289957998.2 182450191.8 73482933.42 87267601.85 70509672.76 74009224.24 45427492.34 66046059.06 56068489.24 119888624.3 N-Acetylcadaverine 203740.2924 88226.78328 138283.6284 709815.222 63615.58099 102568.5459 35187.57271 26789.82975 332974.8663 751630.9841 169987.0036 46575.60118 105086.2004 124451.8114 112350.0019 57761.12383 14282.30011 138999.845 20106.49629 23202.67496 146151.2051 184529.6265 174777.7878 322276.6629 195980.0018 357149.5573 295999.6552 942112.0491 285681.7292 569558.8069 234219.7341 356838.2878 1220284.337 705192.4675 599452.7757 413480.9523 69295.2376 145571.7674 37407.76809 158852.3267 1537501.634 2746397.524 2172447.817 3626201.662 44580.09789 169421.793 172016.1453 32283.40366 133839.2061 254997.4969 101249.6196 118019.1821 220156.6724 359381.6306 202822.7172 585315.6482 395522.4125 679102.6333 270904.4196 846439.7322 32274.49425 600266.2521 463995.6078 332608.6281 207755.055 120763.5833 316492.1675 12784.68281 90761.753 145161.9765 70933.41123 123093.6501 155720.5249 90905.27133 97996.43482 277109.6826 Indole-3-carboxaldehyde 6521993.449 6508944.804 5044477.19 4599652.27 5311607.765 5484293.087 4813117.654 3496365.408 4679371.079 5995951.685 2560230.788 3636139.668 1702522.096 2285971.598 2727523.185 1637914.65 2457585.446 1871362.294 3029028.326 2141889.091 3453861.004 3244185.59 2836657.303 2435182.97 2397357.339 1732311.152 1978870.409 2611220.844 4508069.026 5669062.219 3310260.74 4790003.231 6595813.555 2868232.829 3740118.515 3386982.464 2052866.217 2864452.703 1794974.708 1279293.252 6542426.643 4270207.511 3559662.708 3586234.29 5251820.435 6822696.252 4818241.44 5723557.169 4542027.189 6141982.146 4836652.542 4322686.462 1767304.229 3724106.301 2304303.482 2473303.131 4465369.449 4036655.259 2474702.651 4728486.307 4398048.275 3304082.743 2988992.712 2884129.263 6765192.03 4092021.608 5488465.241 7211783.107 4802493.286 6264625.998 3903365.711 5133804.749 4686319.929 4618213.682 3892565.642 4048128.682 4-Acetamidobutanoic acid 2761816.376 4609336.852 3017115.966 3059148.044 2048652.953 2145078.456 2313031.1 1909096.434 2609242.079 3440824.268 2428441.633 2223285.79 2232359.91 2730201.473 2215579.889 1691111.325 1855184.847 1953456.55 2160554.348 1836615.422 2185159.499 2604453.932 2198714.736 2411721.349 2918617.42 2101324.56 2024791.171 2672011.661 2178674.272 2550482.281 2208302.613 2019990.573 2172083.277 2337311.441 3053608.865 2796626.935 1532029.27 2354877.104 2100099.42 2082091.903 2646856.956 3185047.938 2476703.892 2778283.426 3138099.18 2954512.243 2534479.924 2307663.319 2346539.605 2623243.193 2755092.503 2650700.299 2715896.907 2905311.027 2670094.622 2372933.393 2066281.399 2728550.914 2762327.581 2391861.635 2490133.788 2633119.989 2690479.93 1855902.863 2662386.725 3263218.587 2639091.143 2070307.055 1942350.655 1466289.818 2483535.637 2174872.284 2383256.552 3387465.701 2138618.596 2247157.529 Phe-Ile 570235.1566 526695.6152 751102.2733 498588.7351 337126.5161 482078.5726 431448.8571 316969.0466 349722.7123 418965.2494 309992.4487 375622.9291 335713.169 322175.7515 361164.981 353538.9035 320697.339 346454.6542 338365.9881 304496.3038 386762.6796 338458.825 374489.4375 377797.0007 299085.0948 288906.6097 444783.6979 310067.5019 483151.1357 454967.2207 562413.1499 561547.0009 350384.4225 233571.8377 294259.5487 301195.6539 316118.6997 348965.1705 359568.8495 310950.447 352287.5798 306421.1896 451826.5655 348113.2971 462969.9632 560658.1365 516834.1585 456404.2181 394286.5246 427412.4241 444286.0165 431165.8089 446084.0003 491915.0539 520049.8486 444205.0188 436578.0541 391324.5293 591531.3601 438396.4274 425605.0665 363122.8374 402956.7953 355243.7921 323516.0165 280957.1957 410563.0883 309810.7249 434250.7544 336120.1306 473381.5297 431421.1209 372049.3052 330218.0644 301064.2995 338759.2475 4-Trimethylammoniobutanoic acid 156037287.7 148901021.8 145804442.3 118148692.3 114845497.4 157460493.7 150462031.9 132338171.8 102252348.6 112120132.4 112055226.8 138083454.9 118357503.9 122934486.7 90344258.03 98070714.29 110353905.7 99369750.87 107420211 71250068.4 117526939.6 108427646.7 122212036.9 119501053 72764049.5 102211403 105263284.6 68702451.25 120726984.4 157212478.5 142319192.9 149090716.1 80168328.84 89165540.46 131981310.5 107617369.3 114552044.1 154793844.7 117628258.3 153298585 132625542.5 134136784.5 125166968 97467428.34 165780596.5 129824661.8 189577246.1 170250159.1 111055870.7 181956151.5 155887927.1 149928007 129859704.3 121496326.8 132225234.2 107903747.7 118907200.4 99932685.08 121390365 96029561.67 89062048.83 117272978.8 77509422.54 106553839 99773002.96 131915849.8 135927021.3 119374169.1 113978637.5 129089233.7 126395919.6 170781600.7 125397587 96859230.54 125792954.4 83894582.08 2-Amino-5-methylhexanoic acid 1523518.349 1530089.752 1719756.81 1468290.692 1105334.185 1135423.632 1358834.476 1050481.403 2351232.277 1623297.484 1810510.771 2248087.857 1217618.441 1062180.002 1476338.942 1288241.984 1536445.633 1331659.506 1429015.516 1522102.636 1060156.889 890104.1858 1195835.039 1270796.676 2217511.608 2539540.962 2682499.36 3383322.051 1883809.537 1676127.722 1885250.955 2002899.519 1820019.383 1414340.256 1859885.758 1544194.56 2078907.122 2270535.616 2212974.799 1651723.592 1447676.835 1004626.711 1310147.976 1030846.082 1666617.132 1544283.466 1404119.917 1434409.464 1163259.771 1102627.3 1455720.744 946218.6415 1135619.759 916700.2233 1049399.641 1327086.118 1769695.169 1169476.276 1791725.425 1475126.059 1398559.88 1054840.054 936037.763 1454564.598 1175933.982 1158209.881 1038793.653 834581.9174 1135263.854 1383932.158 1208256.146 1326695.611 1817633.827 1653734.337 1394022.083 1618783.414 2-Aminoheptanoic acid 3265507.33 3097172.674 2600673.23 5692643.691 2743264.263 2352363.514 2409661.867 2614588.256 4766830.249 3560975.799 3292261.222 5992616.341 3588353.18 2893971.576 2926333.719 3651696.59 4048248.655 3323821.751 3577368.308 3693495.376 2094911.982 2050501.151 2225164.142 3041789.68 3750715.449 3453333.925 3713468.607 3971483.774 3437377.409 2571726.809 2655879.475 4311419.369 3008337.457 2364681.108 3163968.467 2492540.466 3792034.513 3898119.138 3540482.419 4978770.28 6915782.049 4996136.722 4974515.655 4742066.997 3534365.534 2800183.805 2856899.037 3225652.998 1533829.81 1472171.295 2077587.978 1688750.617 3147730.515 2644841.213 2457831.679 2678376.125 2514705.864 1989116.838 2451425.49 3282595.842 2602009.689 2103552.363 1680591.09 3754017.23 1599121.434 1639772.396 1659891.317 2226852.436 2110758.643 2420305.198 2200718.177 3636485.538 2602346.069 2207798.184 1796819.016 5026734.602 Spermidine 5000231.744 5964386.589 2174747.535 2668620.35 1231166.563 3459697.039 1368604.115 1243281.488 2403181.356 3688080.087 1435224.564 2765898.556 343791.3684 1245135.934 303984.6816 611062.7295 2514453.488 2064852.407 409484.594 1552063.631 1637041.555 1717592.064 339035.3286 1429589.46 717929.3866 1347984.952 971757.4669 693285.2965 1848282.11 3504083.795 1429715.615 1493995.167 2937721.485 2890024.942 1709787.853 3046954.716 874758.9223 2109974.649 855547.8007 732605.6688 1327322.52 2603597.624 1174553.039 1405184.695 1117924.446 982209.6416 738509.2168 1795672.52 2006865.065 3028061.347 1330410.937 1577239.177 1128329.405 1391903.868 1201193.616 419339.9053 2894909.266 4184696.134 4078178.537 1933381.395 2786596.845 3052593.919 2866481.636 2340061.704 911617.7667 997448.5261 1050483.95 504836.1808 1136874.346 1259706.023 1103771.263 763397.7398 1695203.015 1046648.08 1089895.346 1325228.16 N-acetyltryptophan 726038.2187 2150101.601 696489.6803 541535.3592 430706.9833 661083.4844 480672.2405 362452.0617 632409.7909 1483624.907 639414.5563 411227.5081 336024.538 678477.2836 545879.2184 280551.9629 230926.0319 576335.6337 460570.8263 115580.6295 544763.5392 866727.0981 557202.1501 467320.3413 473095.9232 606526.7891 767653.4113 542816.5584 613315.0838 1200317.285 484608.0418 721130.9177 510681.0614 492852.0039 427624.0057 451194.8447 389994.6628 589141.0013 438463.4747 317998.1274 299092.8684 642099.1491 498594.5502 378470.5326 644512.4799 728521.6172 570097.6089 479355.9029 478296.9465 1025033.993 320348.3973 318640.7481 261741.794 615208.1774 492290.4616 202601.4267 424591.0166 520624.8273 534555.2784 458062.4039 629606.0827 749892.2573 598223.7731 351569.5512 529217.1175 832536.0759 902139.2998 485602.0025 341177.666 593741.4445 433681.6588 387844.5862 513989.3745 529279.1858 446954.5697 479921.5153 Tetradecadiencarnitine(AcCa(14:2) 1 50147789.36 242985214.8 86202360.26 53937165.86 13148740.27 48546498.96 15215318.21 22127442.11 13352864.14 48604362.9 95196897.16 53064247.47 18456310.05 40897656.6 6700993.852 25249488.27 26846649.93 73367170.15 28251345.75 17403038.91 25134677.12 38360156.96 14694064.82 13945755.6 14135008.8 28891794.98 10832214.93 31373641.25 52044023.63 155500051.7 24510670.69 30402427.69 27558243.1 74023198.54 8402030.597 26902221.56 18176611.54 97148462.2 33495779.39 15322649.22 12450546.55 73437769.31 12047589.44 25351073.57 21166129.51 36902826.7 26896168.92 61572335.69 68635275.39 213178641.9 33430043.87 71601106.26 13718745.9 50597828.49 12590346.38 35222067.81 25235368.24 82486712.13 48257306.9 21586432.07 25864761.16 59511412.61 23366618.93 16381301 14172172.69 38067180.03 8355454.471 20238823.94 44290120.29 71293532.2 57430141.09 68338688.46 37719774.53 106339242.4 36530369.34 35657267.54 1-Methylinosine 5730394.009 10332072.95 5816493.727 6593221.152 5256567.311 6571601.084 5334462.425 3895302.708 5332129.884 6733234.814 5074482.632 4636250.769 5451569.235 7807419.787 6202253.15 5242503.943 4086514.22 5708453.713 4770635.2 3935874.268 6012512.252 6846224.173 5786483.069 5061330.474 3343290.234 3134238.532 3886542.106 5120308.971 5733097.379 8503207.311 4427702.918 5854550.098 7533367.751 6014096.297 6543494.679 5315740.601 4139302.433 6992841.597 5098664.774 4308769.44 6406748.949 6678054.519 4971951.069 5736547.639 6127205.874 6480010.116 6564022.276 5159509.406 5603194.332 8046564.144 5366765.562 5781915.281 5067679.782 7780114.824 5261489.038 4830906.312 5913978.577 9086083.297 6249164.285 5601830.541 6341634.231 8058091.937 6098592.904 4264312.26 5085031.135 5800125.795 6126206.22 5744044.154 4077411.723 5007616.486 4810114.406 5295165.83 5724500.434 7958931.16 6079969.552 5773821.758 Dopamine quinone 410686.5871 103135.6161 214579.207 76193.91242 96730.49042 116567.4916 124007.991 369899.2582 76889.49169 147298.903 565536.9225 69369.0406 338949.9786 588262.1766 105191.3727 191146.3809 153404.2101 257017.5372 302307.1428 288272.6319 260839.2256 951436.5026 110947.8907 179265.5673 376341.3616 164591.4432 118966.0408 135445.073 3049145.657 1524306.989 897941.86 212745.3163 209515.27 267203.3761 109807.5805 148058.4436 187590.5317 57460.2439 42579.245 249267.2252 344223.7886 63049.86289 62031.47889 54042.31131 118916.071 190567.7309 134392.7096 217752.2877 170575.8234 65673.27606 122989.607 235662.4543 711632.5533 168510.0729 27720.2328 197228.7019 2948085.785 2910477.533 1112392.145 151520.3496 157303862.3 355463699.9 182642715.5 5558546.79 216777.8771 91081.90709 35666.42637 89698.74373 104381.8623 178415.0817 84518.87689 33372.81371 102260.1457 32080.59534 134080.8982 239044.4087 Phe-Phe 1555394.75 2545625.465 1981985.919 1112374.129 811153.6124 1409971.268 1062857.513 814123.8674 721967.4291 1019849.206 704954.9587 1086693.784 1054231.382 1189547.856 929275.2138 938344.1283 922767.3448 972908.4673 1009191.493 924909.5888 1049081.423 1006604.472 1024671.625 964991.8767 941666.399 1262871.223 1380795.165 1022297.415 1209707.627 1609209.271 1562002.087 1652473.988 755604.2763 683453.0045 951669.6084 1091893.599 805216.7839 1027268.822 888794.7463 855082.0453 1051921.578 1090331.697 1141484.501 872164.9558 1128748.071 1368465.191 1297006.812 1225361.092 785885.2263 1220099.141 1185476.807 884766.4328 1336118.458 1116507.86 1318378.056 1035370.008 1323140.863 943482.9756 1362262.211 1095583.488 925480.2709 1099071.78 949481.1604 868025.1172 977230.6488 1229625.934 1214978.506 1112240.509 854496.5106 1183187.601 1020317.204 1169928.015 873363.6572 915646.9311 1072913.409 880725.366 Phenylacetylglutamine 33442254.7 49684440.5 31213857.66 40697092.13 71200983.39 130214503.1 77749750.19 30537224.81 127801301.6 218146841.5 80395957.45 22655710.81 45788661.28 54001525.82 39398063.24 58918810.42 229170497 280184976.1 87846048.82 50733892.43 221822827.3 226940693.4 115365490.6 116295315.4 26355991.65 38113030.21 49253081.61 192663966 63311712.69 121951141.7 45859777.74 52104061.53 175023205.1 108048012.2 76549710.16 98797607.76 16467425.2 20641128.4 12974272.38 23371593.52 176901077.3 214279323.9 100735920 315903202.7 19082358.96 46393406.59 25288414.91 25500910.16 199848450.7 451755023.2 172475905.6 111451996.4 80591040.82 199461999.1 99350043.28 73024104.29 105337630 172622423.7 94917717.26 122533325.1 56368863.13 105974195.3 104831541.2 78694687.36 102954465.3 153520493.4 163755854.4 62246989.72 37904996.48 46426325.7 46635127.33 76438215.31 22844364.48 44439350.15 30129989.22 30039350.34 Homostachydrine 9666089.785 12542030.9 8816637.489 16558730.75 10067482.02 5080662.096 7735746.564 6270671.417 35215.85774 10812828.88 14671571.23 7321062.947 18206238.27 19160361.73 23902958.16 17023058.48 16439269.54 20067161.9 15200649.3 13186939.45 65250.17649 25392470.17 20022348.36 16641595.32 16703728.24 16999459.27 15434125.13 14761649.47 14317356.52 16754563.51 13398031.45 9206819.282 13736494.19 4995842.215 5575856.568 4877918.831 13439651.12 15956069.45 13518137.1 9958201.599 8172474.548 10173258.58 11002322.25 10396711.15 9059207.083 16075959.81 10039536.71 8936826.096 11065523.97 16430608.42 43780.73258 12321361.29 5749186.96 10903133.29 53139.6901 5862191.517 7921879.21 12231717.08 9058593.718 7852564.426 9925036.739 11490933.71 10666906.6 9103420.96 14640475.95 9735697.819 35259.62814 6399866.147 9102736.864 9111536.516 13117685.35 9426695.234 10073515.62 11893306.85 9622124.669 8097903.292 Serotonin 13585690.97 58828476.33 14368505.8 6638109.624 7547703.733 20556483.22 5086689.247 4325514.079 11880891.91 30992791.57 11700165.73 11189906.27 4256700.603 13996768.68 4946398.586 5276134.292 5458166.798 28133206.21 6052009.242 8332247.168 6409416.72 9046705.492 4539542.718 4955010.568 5646677.569 17997875.83 10081311.55 13963903.7 12470964.7 33522945.26 16681362.28 19013248.17 8214568.636 7587678.072 8226073.451 13010215.43 3952085.14 8890207.195 4086895.231 6285361.196 12119804.08 30568809.46 11460572.12 9049297.169 5743175.034 8543243.842 8017631.061 4105308.542 6167986.667 7126995.747 13771550.77 5630318.24 7322402.016 11265321.25 33032208.82 5904696.276 9601314.461 19121599.61 34356266.89 6877633.132 5568108.898 10541639.86 15960144.12 3119670.782 6399793.988 5009459.808 18753037.42 5040638.175 4205555.888 8953506.444 14490251.25 4953848.488 4102228.426 3836309.94 12174353.92 3328159.218 N,N,N-trimethyl-5-aminovaleric acid 131088292.4 144542570.9 120105745.8 136472021.8 130229781.9 91232650.66 121804215.2 115464595.7 188842594.8 222535622.3 184036430.9 124722222.3 169751303.8 183590344 209829198.2 164069319.4 172876810.8 225988881.3 195883948.2 176692034.9 128842485.9 209232787.3 207521086.7 181527473.7 204913993.6 196145183.2 184306423.5 208345825.4 196012209.8 219864119.8 175679422.1 148775233.1 143619380.4 119920287.1 109620235.8 122211860.9 178629238.1 169215805.5 189266300.2 150288611.6 188016436.3 205180484.4 192990992.3 214279379 160425372.2 233469414.6 201277437.6 159707991.8 231551126 220795859.9 253474597.6 238041737.2 97004212.03 121608775.7 106789548.3 98390220.23 174446893.1 207233169.7 169051292.3 166450656.5 239245673.6 239174897.6 256885536.8 233768155.6 153078513.5 140921313.7 151019373.9 108103903.8 140721947 211074253.3 198771576.5 173600697 172089461.1 184399570.5 148591133.3 166959253.9 2-Aminooctanoic acid 9609128.833 10430718.07 10315962.86 17930196.29 13668462.98 14089626.78 13957334.27 11470053.45 22444462.83 20225094.14 18366514.42 30361580.68 10396866.36 10598284.42 9500137.457 10716409.87 7831758.239 9956549.592 10727383.61 11028929.4 10352739.59 10003714.02 10559596.01 11688268.43 10135016.65 9432607.589 9509188.541 11955654.62 23432167.61 22733982.76 19288594.35 19037703.69 14627449.78 11015693.7 13855447.2 9173704.676 16697756.15 18335003.28 17304417.12 21720808.11 18510938.49 17618933.9 15749049.72 8920081.728 19753633.45 18997568.57 20335657.07 25489229.51 10670363.78 11495796.69 9502174.201 16091713.6 11802296.13 12380227.3 10374397.32 6054375.829 11978293.13 12404403.77 13189948.04 20361767.5 7749486.147 7908050.001 7317596.731 10387201.56 4639655.484 5085512.677 6175062.603 13585050.31 8126771.449 8528793.666 9310321.187 14801599.82 15632941.38 15464532.34 15153315.76 33514637.03 N(6)-Methyllysine 2633559.582 2001157.59 3379650.913 3079377.787 510599.0381 559013.055 1314601.476 844758.7421 4417891.436 3812595.413 3803963.28 4380533.719 1275915.55 1467144.904 2399601.285 1860170.7 1693657.779 1945280.942 2386527.817 2407642.23 2712883.385 2105469.05 3110632.769 2105775.042 9971163.362 8383718.351 9392661.908 14002753.72 8835291.701 7538779.381 10354485.72 8817535.273 2156494.395 2381525.993 1548165.897 2080121.668 1326533.17 1307218.066 2520790.805 1380135.181 1146872.506 1096563.124 1736901.626 1513581.204 1039724.929 1215162.116 1105124.948 1696665.211 2418616.338 1935307.023 2944554.569 2933013.04 1410375.869 1168056.238 2123353.222 1724761.977 1714463.062 1732176.701 1988396.055 1573198.581 745480.7947 703872.8637 1446041.225 590648.0352 2043874.617 1442956.552 2065365.331 1474174.631 7046263.414 6474922.703 6995486.773 7778355.723 891225.9001 986047.636 914245.6146 1014860.385 L-Carnitine 3500180396 3338732246 3546428359 4183503995 3115835336 2559606848 2986103342 2805864654 3351775154 3024070941 3350273901 3156271654 3089251931 2775901441 3081872266 2958948143 3131045283 3454192695 3169686949 2812685776 3268008027 2987068053 3553210420 3399858486 3308072303 3317668625 3443603038 3423473791 3878858989 3574030553 3751610828 3765712797 2876898448 2650601198 3126567767 2746504301 3000850983 2778528467 3075932663 3261554729 2858432074 2383277534 2722720591 2636346675 3806884589 3480431957 4065271630 3498831162 3481857037 3425393748 3470588133 3506844271 2496817599 2565582246 2700230440 2485612526 3406633122 3379090491 3613360281 3287665506 2401637566 2561852386 2684410256 2443870919 3315624135 2902963928 3538467948 3015884124 3869093939 3303646163 3690771524 3959433642 3679315415 2852169234 3888672827 3343158132 S-Methylmethionine 1977770.904 4791661.011 3087417.423 2297879.589 782229.4912 1206789.775 1023842.563 624233.2675 1495923.865 3524459.926 2200776.258 1389009.393 3696171.499 5345138.036 3360799.951 2527010.737 3858809.076 5105742.085 3883575.212 2694608.572 3018172.514 4563448.384 3176716.298 1323330.512 954657.6386 1268213.059 1065099.802 2163540.524 2977899.813 3926681.749 2609112.342 1154248.462 1819774.134 2722135.761 3091676.713 2899055.286 4746279.355 7934501.267 5132186.958 2173345.187 2363417.25 3201354.928 2968091.226 2123588.394 1650896.313 3598504.168 2684174.615 2134443.876 6003951.617 8693490.895 5693778.397 4923955.314 2387378.008 5055731.974 3080783.184 3476843.071 2047303.327 4431409.596 3777391.337 1704116.429 2288927.957 4923464.705 4020705.522 1595579.633 820123.5538 1407429.96 1648895.849 1002671.269 3955133.087 5026112.188 4291889.319 4833302.728 2018510.262 3458123.822 3235771.163 1598499.346 Methionine sulfoxide 120781423.1 110643429.6 79963734.47 111842471.2 98299167.57 71386232.28 128303153.3 104784221.1 131573950 98691666.69 86800346.95 127236332.9 131121104 120828041 136664603 119698879 125901024.8 108537786.5 132505483.2 94232452.27 67790422.97 109706480 127373405.7 136497705.5 132792699.9 105692278.2 106661289.3 157219661.5 110078493.2 122670106.6 106725802.1 77947717.95 112538449.8 98465991.27 86210632.28 134049825.6 124887403.8 60960781.24 141022884.5 137484903.5 136501694.1 108550869.8 133647395.7 122423322 148954113.7 92171511.6 107280804.6 114543962.1 69961833.26 5485949.517 120630464.3 122649993.1 135749849.6 91437718.08 116332974.8 88356279.57 116621437.5 57130666.46 98363180.35 118020693.9 128502901.9 123438903.6 118511731.8 116955922.7 119605806.8 96557852.44 137687596.9 109390892.1 61473376.61 120390911.7 105705935 113087216.9 95155922.15 98973931.14 99213642.05 129023896.4 7-Methylguanine 10560262.67 13255079.61 10049580.43 10385422.87 10248517.41 12707877.24 10001050.13 8282715.773 9134452.073 9793657.249 8385995.416 8478849.652 9860463.349 9664340.169 9087248.456 8667977.448 10248782.73 10710303.14 9615956.945 8745910.556 9838490.77 8841357.291 10114298.49 8519563.685 9081568.12 8840438.216 7348180.244 9174913.129 9787789.888 13211913.63 9813457.929 13735873.5 13847934.21 10915396.38 11790325.11 12157479.71 8685551.522 11398866.89 8586097.944 9167806.669 9867921.975 10095973.15 7402600.565 9134852.573 10555277.4 10648251.34 10088224.8 9952224.958 10928412.65 13044213.54 9498978.399 9593573.48 9332059.405 10382368.01 8510449.902 11652947.21 11359746.08 14004655.38 11463896.81 9936196.161 7712390.203 10294011.76 8521009.626 7482169.986 9559165.511 9486001.871 10601306.4 9831626.79 10995318.35 10187263.98 9023968.225 9511740.232 9930375.587 11414346.7 9696110.089 10442535.13 N2-Methylguanine 737771.9452 512456.5618 614225.4947 465214.3779 557285.7497 486565.2616 2050663.092 615898.3825 84691.16047 740445.3124 904806.5778 567379.9051 559620.8595 1541269.095 1343165.54 931272.9219 1986621.104 789672.5036 536281.3679 299076.6649 1083315.456 1123372.267 2286728.863 844976.4372 301505.413 1024982.975 293225.7335 1461543.429 772549.2009 536446.2367 497760.3358 1085075.353 2340522.451 1065646.172 2604401.973 871140.6588 1596296.663 1017964.316 329919.0825 651401.2909 1215471.271 1261423.958 894463.8285 1450745.088 2277275.562 470501.3135 1684393.874 2018355.477 1493308.61 428170.5589 151276.6282 466688.0139 221346.466 719474.6872 451475.7546 910706.3995 365416.7514 1302898.6 1418790.798 640430.5997 418948.0626 1548577.664 393995.037 934964.8918 496212.0443 427999.4351 1746588.033 435614.7005 35940.74255 499154.2589 321113.5653 515198.9342 799244.3411 534338.678 1845342.585 1169950.503 Quinolinic acid 593138.4405 745544.1424 628914.9988 769528.6109 588060.3776 626154.5514 500625.2585 284571.6681 593161.6457 669295.848 596735.2406 384124.7132 759065.0167 1016285.534 1117479.377 680815.2771 537488.5948 611556.5709 609512.5829 433918.1561 536928.7703 53216.20433 19100.74886 830930.4361 458227.497 639178.4485 290182.4829 449114.6365 486156.843 582942.6725 514493.2463 47363.66913 550528.9289 445229.6576 314194.0241 449280.9402 583390.3388 715027.4207 754011.1258 424344.0931 317656.4277 547227.0278 464600.2145 399442.0538 509878.3197 1009027.153 883780.1922 465430.7659 798590.1755 599416.4037 564903.5598 465987.6898 523042.4005 22269.22034 656441.1552 451314.2925 784737.2084 30493.51646 950359.4489 484664.9441 533705.1866 813936.5225 548207.4459 583731.188 507677.6969 668646.1035 557392.8224 406694.6337 700785.2526 704325.9736 20894.3145 480677.5242 926916.6544 1300080.796 1229328.258 996653.0002 N-Acetylglutamine 154338378 159220626.7 171058717.8 156232355.4 127802053.3 133760459.9 159396768 142451942 124878376.3 116237293.8 126142878 138912088.9 169646164.2 121458221.3 117672289.6 113883358.4 175393359.7 127601796.9 137528451.2 129705760.5 112741885.7 116829761.4 117540772.2 110005256.4 108765228.5 108115379.6 119926561.8 110922708.1 105197222.3 125547384.9 119614146.7 117055076.9 120698401.9 123871576.3 129031270.3 147647946.6 130037184 143311045.1 124964648.9 145777970.1 131602983.8 157507574.6 146516617.4 118928589.7 118158494.6 134025565.1 130214963 148014967.7 141890670.8 153924264.5 127122993.9 128495537.9 123910181.3 138431017.4 147844259.7 134868120.1 142784741.8 119830044.2 156392262.2 107686567.7 134171516.1 136775002.9 133437985.7 121171606.1 146247067 149520408.4 143482777.3 147806387.5 158307265.8 143444303.5 137721764.5 149772595.8 130075235.4 126889230.5 137102393.6 120320698 N1-Methyl-2-pyridone-5-carboxamide 202188847.2 224451057.6 140308067.5 119615437.4 135867468.7 115855694.8 135187619.5 111196741.9 134190127.5 132111334.5 115511979 142605897.5 131960551.6 134124184.7 132558942.3 118257771.8 68651561.2 106501185.5 97733204.57 61284133.04 116060029.3 143698886.5 152952283.9 116639629.5 59009937.02 74139998.02 107791036.5 129809167.9 137437692.4 140217076.7 113649231.8 152280452.5 105854920.8 97499264.2 102320494.2 64602950.76 95357399.46 100603892.5 99091152.74 98264205.19 68795330.47 70274942.29 61030643.85 82331475.31 182883578.9 168893008.8 155120933.1 137859090.8 112543781.2 104316684 100871687.5 94719011.56 81332058.89 83744933.44 80808994.27 110039126.5 178927562.7 198148126.7 215049710.7 146681944.6 99826766.46 120559736.8 109399312 96821036.85 199001079.7 191168599.8 178473526.5 177592218.7 90332824.59 70075060.02 105503502.9 206616750.3 159121336.6 178626592.3 174449521.3 159639686.5 Metronidazole 183435.78 203516.2409 139585.4249 235528.7274 162410.9025 129154.5575 143161.014 63650.7411 61239.24868 75337.97756 187970.4187 167344.822 117052.8086 77914.62704 48003.8231 123175.315 88884.04092 147522.724 221480.0242 45164.27632 99271.12979 32664.66499 116903.2073 131115.5609 73086.25867 99594.98328 76407.57026 37465.89011 76085.52286 50009.06324 175610.6771 140368.8943 87270.78365 87442.6459 90256.65075 272464.6097 69819.66853 30538.22316 252357.7513 87288.39527 247290.7166 194886.6212 352159.3563 40937.54027 197547.4924 62898.25493 77423.00155 212299.0677 99765.93308 61489.17224 73945.83575 144736.8581 76825.28205 69063.59978 128408.8229 207942.5627 167140.5258 95975.33723 114538.3997 97874.67383 76037.58053 164678.4789 71816.5709 287775.9313 159254.3153 34914.43275 108304.8543 219062.5715 112270.5189 142975.3246 140087.8579 189618.8048 309454.1914 68714.38988 109714.452 301704.8542 Gabapentin 89020.45194 244697.8352 149254.0425 167129.036 91559.14366 163882.3147 107068.6974 252582.3006 136277.1718 121405.5458 294831.739 208915.8016 49055.33538 163972.4458 65917.85656 239701.5697 75881.34529 132665.9204 259345.135 143908.2688 154634.8672 338970.9254 154512.6896 354871.0471 154269.3357 389517.4292 235920.0707 406284.8121 174764.1389 39878.99131 354201.0728 47609.23249 144281.812 506161.0503 193645.5959 340702.4434 134983.2903 199924.7269 53680.06058 111680.4036 151014.6027 122560.2249 152657.9925 105574.5246 133079.5218 93010.25384 360689.5082 144676.3858 105760.7954 118134.7895 119453.7074 179291.7228 97176.31204 228723.6057 40103.31752 278601.1368 130900.3529 152788.1818 90739.9524 50092.84411 237373.1838 355974.6519 97165.29602 232477.064 141897.3446 72576.5395 273423.6077 299277.2035 115844.4589 47302.78686 260963.4884 147930.1173 194253.4799 338664.4798 110707.9896 219288.8859 2-Oxoarginine 69859.75 279307.5234 80255.68452 213836.5202 60355.1713 46256.62794 211416.5798 105584.674 168336.9713 70074.64252 89232.40168 45865.09022 39416.3891 177672.1812 408192.4059 37117.56439 136722.0036 166867.2253 141917.9803 84657.03546 41141.17161 319278.3261 238636.4092 33084.40747 44723.37044 153098.6792 170384.6985 48455.18126 49071.6911 158382.8469 76750.78349 363650.4798 93343.01877 15094.363 209272.1407 48817.0088 31745.32722 256798.4573 111092.7291 53954.74777 381143.4093 221597.6211 188274.4711 233200.5074 240050.826 398027.2801 734057.9033 120023.8214 30189.70196 112664.1854 57930.60649 15094.96534 155971.0169 188835.6669 192793.5908 15094.363 95873.82962 50295.09025 206284.3382 92294.675 84107.963 360961.7085 68265.39494 106743.1278 36827.6068 365451.1289 665304.3027 152555.4063 40673.28555 81433.0265 48778.83571 89105.07382 65628.72631 55881.18137 247510.2033 159957.4864 N-Acetylleucine 48743.6448 363191.6543 653356.1992 55068.52369 54471.81214 87152.393 340036.2636 133916.7786 71537.3973 110995.7359 28499.39665 72217.53354 45997.90441 44384.61439 55173.88501 127412.0635 48805.40187 25548.18776 319941.9519 168100.2106 52822.02939 309601.0884 81432.71551 31619.14873 51040.97391 31147.89637 45299.55316 56356.75234 120499.1356 50980.76435 50098.63355 33998.56985 58663.06888 150279.3689 283012.9861 31822.65529 58489.07172 110427.0181 106912.8635 64769.83867 318860.7894 66019.12184 358794.8109 61049.26882 386215.2931 74260.33211 72266.1789 164074.6604 82156.54017 450229.8067 274258.583 112864.0187 90964.76901 104376.4259 191084.2603 118176.9696 243025.0772 65015.91313 244899.195 156173.5115 318879.2693 340654.3489 88637.73925 68092.31944 34987.46724 411886.8404 70388.66325 200148.5905 45827.11499 119207.4002 96594.59546 51369.59218 50578.16952 58052.28854 300939.0223 151598.9712 N-Acetylasparagine 533145.286 990252.88 618920.5347 213014.5323 197957.5274 282310.598 254795.843 249918.3376 247839.3375 338595.8474 90695.42016 102167.1768 121121.1635 444609.3499 60938.75812 225933.2287 233575.3305 329895.8516 27341.18172 62009.29079 208353.6859 782609.8119 227281.4621 181189.1514 132168.7618 314628.1928 123707.3137 188170.8638 140769.8775 374629.2675 60581.32951 50514.23041 135963.1314 139221.2862 164760.777 31977.03974 53578.86418 276253.958 75076.73618 54316.79294 583318.65 493783.9139 269121.9149 279952.329 315417.5148 6927.415314 258010.3433 85228.34745 225288.3895 282876.8929 195337.9749 123391.1914 268334.557 481737.7012 228558.1606 346996.2112 245179.0565 786791.085 282505.5043 265699.9283 231283.0727 452591.7837 467984.5281 268422.7982 399666.4824 239599.9408 209191.652 64826.21724 39049.73403 194737.5571 163052.1955 98184.28194 105410.3596 803677.2334 28725.54153 3463.707657 N-Acetylornithine 6307769.713 6481684.865 6355577.667 6665947.643 5262988.031 5552011.304 5704443.489 4433190.946 9746513.406 7440741.875 6396970.97 7102057.07 5150634.113 5718347.654 5448971.836 4214110.978 4785279.017 7510441.586 7049478.049 5763767.575 6320410.485 6508574.506 6220263.35 6050418.37 6250925.436 6345272.973 8395970.441 7087694.359 6022045.235 7096158.562 5866689.495 6234395.318 6981341.635 5895908.633 9445153.62 6672857.882 5147275.125 6179551.364 3680749.084 5420493.555 4953608.264 4972907.317 4229432.222 4860294.871 7883496.503 6767568.477 7603815.679 6349517.674 7197930.238 6879138.414 6101608.645 6487828.855 6481974.191 6803855.633 7762449.72 5286958.273 6217541.746 5824093.104 4650471.596 3682134.561 5218167.608 6726365.57 3312867.023 2541035.121 4855779.509 4368365.018 7206082.899 4726634.382 5614935.173 5736527.009 5379733.625 6642389.06 6205845.824 2704890.107 3215461.956 6788390.24 Indole-3-propionic acid 3611906.452 3499921.466 2556270.816 5473373.594 13147816.06 14170069.22 11535803.36 11657807.49 26298439.65 26068952.55 16030717.08 36808218.19 13267852.66 10962803.02 7052676.941 11755899.24 8471623.497 7280333.365 5171008.437 14673883.59 8566287.924 7586982.837 6731536.83 14918424.48 90054088.66 83029304.78 67717693.88 42570482.35 4095643.745 4351861.204 3808863.308 12440782.2 15258715.66 11803602.85 15151411.94 21533798.41 2824111.715 2807474.721 5222889.549 9340677.519 12252457.71 10634317.43 11259473.68 14928513.62 8617746.426 10138369.93 8189175.357 32828909.58 12091971.61 12701314.85 10822046.45 15603975.05 62804213.13 70907024.96 59667033.06 79255631.36 6571164.957 6846453.555 17434899.54 19374756.37 12737742.64 15335210.03 12248020.64 14118169.1 606971.3327 644363.2718 476338.8343 133961.5549 14533462.91 12361739.87 17197337.11 11770611.75 13886841.4 10523736.93 14267707 14703533.08 Indoleacetic acid 40214849.1 46155484.31 59100951.29 48325577.28 73495312.12 64828970.69 55205265.24 35927886.03 28749573.86 34244423.4 26757396.69 24222990.58 25569639.04 26421293.21 37134334.71 26866714.41 35885479.73 35585215.74 49655916.3 25469926.57 50925504 56619834.8 66113307.4 39642493.98 29926652.32 26550839.2 31641585.26 49033411.99 52681451.71 59191133.55 61716985.27 67325254.99 28503358.22 22236665.62 33891692.17 18711086.27 37027688.27 41199307.68 46631781.76 29974386.13 37490006.16 34569670.17 34411397.4 38503706.28 29755209.81 33748228.84 34533497.82 35420106.19 54859145.09 58316895.82 60916254.88 47231716.67 29500275.27 34890785.54 29341377.33 24817731.13 55214767.36 55555896.3 67528404.64 48171247.2 29818080.19 29889421.38 32504279.89 32976183.08 73303404.51 74099430.56 86761974.8 76643764.48 44819881 44393586.23 43468482.82 51624017.64 31354693.07 30335892.85 29145195.88 31960707.81 Cotinine 84819.49105 224617.527 117588.6028 226592.2449 88977.30924 21997.11897 25074.69078 81869.70089 218994.1516 395585.4382 420855.7332 92428.39663 289993.5661 220221.8383 168260.9062 274635.1951 116686.2678 340474.197 172246.7106 283218.19 29622.73446 120127.5258 28133.58681 58247.78913 4941164.896 4689207.995 3183015.257 4357945.872 185333.5171 331409.5636 265647.2307 118331.7022 108584281.4 75669065.04 72221417.92 147457926.4 81387.07944 31073.54761 28930.74769 70123.61877 1273595.739 1124338.912 901885.8095 1714766.788 175386538.6 166963577.5 157304039.9 181250260.5 48290.65007 133870.9334 80858.26001 54500.83809 2377217.314 2411325.184 15554607.21 56417722.02 228689.8297 437229.4768 414581.6543 308060.908 34654.38252 222933.758 52968.44126 54933.32981 87738.8102 338128.9123 180535.8077 109869.6084 54056.55113 127718.7386 29894.02472 114751.8503 509995.2268 645966.6939 567257.1314 1662432.34 Theobromine 15529154.25 15785014.16 17184379.16 27327222.34 19810257.76 24016244.74 28264388.3 17406026.33 165003940.5 164448424.9 144936049.4 90517302.08 118123472.5 147822472.7 106984741.9 32653010.04 17067270.79 13687393.83 7292480.331 2672517.557 31095347.14 23358008.53 26086748.07 30863683.76 12243836.47 9829927.437 9072951.672 23608724.07 49165808.55 53460461.92 44632298.42 84095761.72 75012975.85 50356694.92 59231901.07 69879196.46 39243734.97 36702227.49 28808894.2 25884543.55 25529020.77 21594543.4 15944924.82 7064670.908 9163967.042 7653473.901 6863714.095 2336119.135 1947901.794 2239054.377 1802609.72 10458181.1 28346498.9 27185876.75 17078248.97 4418580.908 30985227.74 34222567.33 35311458.12 36324462.6 25621508.57 24770238.02 24840372.88 38409638.41 10063892 8371905.031 7914873.746 1589878.515 39228479.83 32934328.43 31732839.11 17182835.55 87348178.51 71338534.7 69643579.47 76894666.9 Theophylline 117473709 115694603.1 165079855.2 204405773.4 241735473.9 288171744.4 319230819.4 100637681.2 107576868.7 101630015.3 236778631.3 301742155.9 43777803.36 35562986.2 79116263.46 104428688.6 8035145.6 5528305.773 10330633.55 9668580.022 7025743.313 4590335.636 128555792.3 189241832 94100356.27 71651935.28 64561366.48 161612003 347424250.8 383463768.1 349524319.1 712969642.4 241254449.3 161561644.2 233972905.4 445439875.2 104701610.7 96324515.79 80969161.33 178574233.8 108008637.6 88892994.77 63019632.26 15310875.83 74972120.26 56956483.15 46354608.58 7311214.03 5175320.244 5090705.114 3643704.369 91449057.4 61469582.55 54372452 38026896.74 5789796.116 160777554.2 204326019.9 253500122.8 219130194.1 177825258.6 180521236.1 177642203.9 282202064.8 23358075.85 18409904.98 23814063.2 3778878.107 111640213.2 94942960.5 87254373.68 47360032.22 259917756.6 216895985.2 270137937.7 497326016.9 Methylcysteine 491207.1244 607851.1978 631432.6841 280699.2831 588656.9864 667551.5565 705343.7147 267098.7276 154164.5658 144395.3214 314748.7219 485014.6848 363734.609 273702.5623 263549.9103 222601.7751 266917.4614 264522.7036 306265.8203 271019.2087 502679.4034 361794.2531 458976.6062 372615.9518 342846.6292 521465.8435 481950.4517 599842.753 328954.4632 419578.5242 514998.1708 288860.3148 656288.176 524535.5155 1002312.966 735148.1179 365346.1167 468736.9666 425824.9475 376218.395 671807.1858 661991.5248 705147.5294 261903.0973 804652.6492 421471.5646 684161.1676 863152.6316 311718.4914 916910.4252 1043355.275 532925.7518 593249.555 357662.6806 584586.9424 326357.2749 811459.9315 342281.6096 682745.007 233465.1998 280264.3032 472904.9143 232939.7131 111695.9275 72151.26849 393900.3094 642414.327 403856.4318 341151.1065 693619.368 585906.969 777502.8361 405263.4139 319320.1088 775165.7963 460352.0738 Palmitoylethanolamide 2906515.065 4003766.796 2725817.339 3295252.385 2334496.837 2551990.103 2104410.24 2048016.154 2179228.963 2292870.343 2609625.858 2113689.178 1814614.934 2522342.922 1949066.347 1987403.71 2049918.239 2667161.016 1778867.604 2021268.378 2699029.88 2915453.587 2622258.818 2094023.035 2064836.221 2299700.934 1690099.5 2310827.431 2499673.204 2812295.535 1913273.028 2184333.187 2315185.041 2646954.034 1500989.36 2536412.902 2145583.258 3134689.54 2616682.22 2028028.016 1959983.898 3121215.428 2121948.728 2305854.367 2163010.493 2442810.168 2175214.186 2280587.758 2451210.63 3108519.283 2037000.892 1985649.867 1884235.581 3019262.528 2004926.448 2354181.696 2034807.605 2752391.061 2632736.655 1946354.116 2315703.777 2557406.545 2291003.872 1927709.867 2175779.709 2744937.697 1857926.504 1939211.621 3063507.771 2947440.123 2779714.858 2042902.524 2405869.33 2943319.594 2194644.491 2497333.848 N-(3-acetamidopropyl)pyrrolidin-2-one 38195162.53 48067547.38 43933184.5 41786125.72 47043201.53 69604746.27 65885155.63 43010230.08 50305749 59415761.49 52348875.65 49511744.95 61631114.38 80850404.16 70110379.66 58823896.11 67884379.87 81101425.1 60009590.96 58314248.77 66827397.95 70449495.73 64256970.12 61251756.57 56149169.62 56730613.61 44710258.23 67540257.99 66215595.38 84882939.76 60134464.7 47775273.22 71163090.16 66506163.07 75305676.8 42595094 40559800.19 54283599.79 39474131.87 27872381.05 33620082.15 40426579.8 36137619.21 26939768.43 38689223.58 42005775.53 39406997.21 32633038.46 60988618.51 72904510.65 55626480.71 51057118.38 51937745.37 65753319.47 48280934.5 28373171.09 111074454.2 130935134.5 108333631 70925256.87 55680222.92 66257694.37 53286909.64 45025348.71 64722474.73 74716804.05 66897029.82 68793249.44 54672396.09 63262947.04 59637370.16 49175292.83 94168116 101700814.5 88210544.47 66987689.92 N-Acetylglutamic acid 764824.6672 977400.6949 752048.3306 626873.4718 243880.7225 234103.1297 325941.969 268308.044 389733.8968 472815.0161 381986.354 282940.7337 374868.6186 695493.2866 367869.6811 344183.7898 301630.0304 734291.034 425944.8479 277988.0031 357809.0782 533873.3256 374224.2864 159403.7758 301066.0259 423573.6727 422060.3366 265317.2276 250741.0501 497613.33 416081.0179 269310.2076 411147.2802 212271.4975 374560.2307 282230.8473 299341.4238 443405.9553 475647.9929 316067.8031 621899.2158 719545.203 25226.30294 446132.5782 333594.9918 392911.6599 449058.6732 113719.4661 308874.2561 456072.8202 562068.0523 307916.8768 452055.0181 408131.1961 464360.8192 175722.2465 352728.3986 418405.6164 432927.5282 407919.0284 282690.7356 214709.0609 298893.2314 232604.3635 323710.8037 411515.8663 415993.3286 284634.8739 213428.7979 390476.4133 361230.8659 391697.5589 285515.0208 430668.4314 246072.5675 279177.246 N1-Acetylspermidine+N8-Acetylspermidine 2902503.892 4583975.962 2962156.285 6040605.59 4340513.939 6492242.231 3330741.164 5611125.372 3795379.46 6357606.537 3764417.08 3722558.782 7732018.084 11145500.66 6262962.771 7766173.892 4184070.829 5061555.183 2811784.165 4936976.979 4446139.609 5552567.521 4441819.279 4637820.578 5515099.686 5587683.482 3576426.84 6161164.023 5872533.008 6185529.882 3258131.572 3612829.423 6218875.743 12328377.77 5403526.653 4677251.31 4561723.433 6603248.196 5700527.003 3908825.169 3994919.732 6155780.489 3477351.968 4284644.48 2655772.654 4865428.31 2160601.055 3600951.947 4561772.772 5411011.363 3037535.892 3450714.887 4797952.117 6894714.633 3568523.297 4827996.778 3782621.423 7097145.889 3555536.403 4656393.006 3986727.005 5287766.069 6774337.532 6389993.858 4816724.152 4545411.63 2670717.808 4614253.704 4321535.111 5010171.281 3092128.5 3514352.591 4192825.666 5825604.306 3582965.104 5957591.996 L-Tryptophan 3455709595 3864951682 3316416016 2822434103 2542199951 3497636618 3352626061 2621765830 3554304637 3389319890 2173264799 3277356049 2671141774 2848427343 2794572525 2491072218 2522217008 2557372270 2563644156 2661173238 3574573412 3155231924 3264711195 3303878252 3330252711 2645392940 3401665369 3622007208 3385761692 3227867048 3181350372 3910005725 2581534909 2178442535 2202851957 2752424931 3001084146 3546949475 3272359259 3049693451 3307376653 2950675719 3211385148 3373566796 3893509319 3598323165 3302894773 3394787349 3093697645 3872498404 3009530729 3279468621 2846360415 2764570919 2922179004 2986189549 3402072934 2848447591 3165375460 3442974665 4041396603 3179750378 2934499194 2969266871 3340418141 3354265698 3564498426 3411377704 3582693687 3870373417 3636913932 3902266141 3316366877 3555064538 3063984323 3182430071 Antipyrine 324059.2843 289997.3611 306389.6185 336911.2955 251991.7476 21781.0468 254353.227 121351.8283 103487.8386 209156.6424 809568.1984 181746.1208 97041.61145 232910.5208 504304.0803 317076.4471 139918.1461 225537.0628 251027.0329 256528.2737 85989.80907 121225.5671 268865.3759 298242.8106 104630.108 223585.9324 132819.8981 216809.256 111711.5869 166367.8988 212399.9775 360146.3192 222355.8719 110622.5839 219361.1136 246420.4713 220737.1636 188584.9413 112327.1103 369268.6923 121464.2797 70958.80543 173798.5688 213728.6795 178521.5276 216766.8401 233251.8206 286483.7481 435666.3112 216545.883 192741.6974 223814.7809 201196.2671 223957.8112 196189.2206 154571.3525 327185.2359 199937.6005 160448.4177 274891.3899 10676545.16 9337956.26 7949177.54 3265536.339 209324.3331 170300.7385 134754.2595 248459.3927 148873.8149 113301.6891 161160.6099 136967.7765 31368561.32 28242000.12 24178098.3 12523412.41 N6-Acetyl-L-lysine 3198296.905 5392701.535 4445578.304 2446163.545 1080874.849 3393241.65 2795569.95 222159.5239 1781820.055 4398465.306 2818650.75 2500516.076 2684076.271 4790922.894 1847313.735 2324149.926 3735735.165 4341899.697 3397194.708 1894370.335 2730795.494 3332477.454 3026341.159 1146574.735 2831387.35 3665616.03 2727921.894 2147789.154 1154319.311 4290634.439 2551246.364 4224549.199 1887420.36 1477198.59 3353976.958 2408724.563 1303302.169 3578700.55 2873702.538 2178356.542 2547278.28 3662391.306 2483672.145 1869674.306 2668646.437 2911796.984 2686634.297 2278277.671 1635829.438 3780289.114 3622120.397 2139453.398 1817918.592 2025510.285 2803178.567 1381058.103 2575136.458 3213520.181 2311602.506 1216281.951 2201023.257 2596201.799 2142427.355 1807297.748 2356895.681 3671253.759 2972470.541 2833754.027 1557710.929 2452774.322 1548222.082 2453287.941 2522255.948 2026602.905 2092093.114 1121205.965 Ile-Gly 840073.381 1681243.816 821067.0432 991380.4696 750934.014 797968.3462 861113.9847 433462.4483 1434081.007 949256.5714 711053.8644 855797.8316 2253322.274 2587388.644 3685799.894 3288785.454 1134499.861 3566643.936 2833966.689 2726356.108 1268076.222 2056039.177 2612453.103 2274914.88 1804997.473 3349972.28 2517807.617 4210122.248 1965791.846 4566221.038 3194302.789 2255878.757 2113086.993 3258833.424 2018518.963 1790666.281 777941.4005 1225820.764 1028679.975 1706697.456 1381821.52 783908.1834 774223.3304 1194002.883 827238.3447 739358.8524 790469.6589 869635.2654 628978.4389 1299764.637 618723.6093 705868.4224 1058195.531 1484198.011 1152483.606 1488183.147 1192296.46 1399102.356 1557412.72 1025291.733 691365.4667 827278.0571 884699.1582 570784.8276 1327688.603 2644468.219 2680632.284 1429473.38 1196499.798 993707.6142 1689492.074 1401817.689 1095146.889 1958957.335 1185543.47 1596777.155 Leu-Gly 407303.4572 1475236.725 453770.2376 482516.4654 329293.0824 608209.3436 700623.5281 283372.7499 3715.760089 766894.917 247780.6149 514159.3245 413351.0874 623961.2212 826487.6311 422164.4849 435625.2202 1135084.738 541095.2975 723420.9421 300681.8394 541468.6393 459583.7866 317812.2087 310472.8117 678033.3223 480018.8516 339557.4658 410731.2348 852365.4768 2598963.353 626234.0111 464367.4242 523903.5939 469975.1482 378384.5444 295360.1151 379130.3109 372293.3122 1388611.049 1124283.993 402671.2665 198551.8337 528400.5303 372135.1793 322610.7311 419860.8793 313101.3001 276043.016 9066.540749 412433.9441 373963.0517 311461.4776 582285.4547 627134.679 3602.690961 454597.7324 703702.7573 935793.9841 482625.0301 369993.9355 462015.1862 632214.6112 233166.3689 212025.3767 233763.3139 708179.4454 304406.1541 392699.5785 469687.4253 428099.1821 415384.1015 440458.2312 469192.1918 445557.8806 370008.2921 Gly-Leu 796967.8432 1182659.628 772431.6187 565321.5927 401883.8583 618319.7574 635375.1657 431816.3034 625047.174 790420.0869 504507.6854 606664.7377 546998.9189 685043.602 685719.7904 494103.3791 371147.6503 470050.9724 551354.8064 365219.8013 304991.1503 401443.6473 408419.0064 347978.78 476162.5947 650039.1107 993244.3954 741219.9866 631415.8216 779249.5139 713722.6126 592665.7828 938742.9751 804785.5475 1281171.479 676637.6193 574998.8811 873708.8657 676091.4976 485692.1279 384755.1103 476509.9642 509332.2355 426515.2764 321099.3618 345003.8885 401925.2798 236844.1201 733610.5214 847207.522 620956.0342 472892.3972 262049.4982 575646.7356 633712.0154 397929.6496 412597.5544 424501.1776 647081.7431 397863.8152 233761.7821 305895.6076 451428.7383 271600.1209 427632.3781 531708.6777 661850.7417 453440.8771 367742.5462 345948.4812 457983.6574 381121.5016 500736.0476 552611.8637 394795.7998 411860.38 Homo-L-Arg 4562444.381 3742663.035 4789272.724 5025030.92 6070874.308 6106204.18 6347931.119 5899079.432 7145543.649 5255729.693 4963592.939 4694170.608 4793730.206 3243234.846 5918095.221 5520116.379 9213736.427 8936731.201 8518190.7 13813020.55 6637953.617 6936697.4 7274247.232 7092491.578 10638067.5 7551020.933 8751413.744 16589133.27 6040493.977 4347436.352 5452289.31 4615034.254 4863793.325 6437652.696 3041775.976 4256598.599 3872473.112 3795783.318 6509449.168 3890358.657 4233325.646 4705630.181 5125174.926 7702672.523 5142384.994 6451459.336 5466110.633 5795089.608 6262135.796 3239741.691 4334305.517 4971445.911 2854696.799 3099074.384 4505656.523 4542949.746 4482122.925 5709440.199 4558117.588 5097192.661 5994960.126 5032454.942 7256235.16 5083616.537 8195184.462 3837518.682 4355478.376 5173619.516 6017953.92 5104621.802 4768721.614 5038316.055 4963505.748 4841573.778 4761997.277 6778767.682 N6,N6,N6-Trimethyl-L-lysine 18956969.81 24157594.21 54483159.3 27382247.82 36840232.92 34623292.73 75638127.16 14638279.37 16543249.33 25440651.2 14233819.25 12386440.39 12786954.58 20700379.8 92044781.28 15834302.76 9367683.222 16238666.1 54154943.21 13191739.18 35717942.21 46356999.08 39438381.45 14345855.89 17428273.42 18757823.73 29195620.51 16195932.89 16155742.05 18290254.75 58005994.31 26452759.74 25803454.49 33050867.3 18177011.18 14330548.09 13641957.63 18638116.73 73866624.4 15808862.19 23959383.33 25178891.49 35249987.52 28570908.9 39447195.51 58997444.96 33409397.13 26375042.76 16759530.34 12796476.77 41903786.31 20394318.12 14193630.36 21205090.54 28874072.08 17028224.87 21909063.16 38520340.01 73533283.43 18850993.06 23910020.5 23495072.74 37681047.08 15124614.22 31892639.3 20210787.72 51551942.16 16019947.24 26606905.95 25873290.48 16836522.33 24694694.75 14755827.3 30961609.27 13165050.47 14654268.29 Citrulline 13150903.02 13992344.35 12439967.86 12240052.48 9026296.324 9894343.605 10912822.65 9238477.043 10225629.67 12390641.96 10174490.95 11384194.22 8048218.528 12180662.86 11980978.01 9129384.86 6468264.043 11408503.88 9023229.416 8082875.477 8643591.075 13968511.03 8736739.783 9292120.634 6697349.136 9266924.598 9807218.432 8731275.808 10024629.71 13119986.27 8921290.169 9901775.895 12124932.1 7637187.137 11359193.47 10457912.64 10968886.08 19013567.85 12225954.97 10780279.05 17777042.74 15397445.76 16460512.38 11989446.09 13597447.24 16331272.44 12293795.31 12274474.96 10677284.91 13243950.44 11847087.35 9493931.034 11415443.49 17768497.2 13403800.39 9812369.267 12020456.42 14640987.95 14143565.17 9684863.822 8124860.088 12635566.1 9162307.123 7171826.833 10217468.46 13750359.02 14042224.17 9851280.869 12774110.44 16217295.01 12769397.65 9435347.367 11026072.07 10703585.65 6627222.383 11240773.92 5-Hydroxyindoleacetic acid 230943.751 771782.5835 427028.7206 366642.1076 271541.4673 545898.7451 194691.7095 196031.265 337629.6958 516903.7118 235038.0819 201539.4091 248544.8471 402961.6403 480117.8389 181965.9763 255077.3949 400239.6077 596458.53 198827.1622 299936.6175 335738.3153 314378.5962 153103.0187 182412.0729 271842.5801 315570.1199 249446.8491 293515.7305 542439.1096 311078.2279 345735.073 274188.6359 188726.8923 197531.5272 141408.9445 178804.6516 430227.8824 289080.9779 192123.3963 252563.1007 345958.6643 312454.8051 192834.0116 320760.0447 393715.464 244474.572 323692.3779 213216.7733 461595.6398 382145.8107 319427.8684 299133.1157 384126.7143 178111.9657 265176.351 395297.8616 562604.3103 346017.5568 291672.2594 231345.9765 313016.7795 194406.1761 216627.6788 370119.5734 299965.5362 387567.7324 443864.2734 210724.8731 344241.7974 253860.7327 397059.4112 175009.9995 288171.1201 183688.2003 176326.4628 Hydroxycotinine 53044.28952 58723.43981 155470.1334 65836.7088 73840.0164 29017.26994 14421.64249 164268.9444 25659.25987 84237.87984 27831.55749 77332.78937 107500.5725 55895.43014 22515.46249 47676.90416 232430.8162 23892.25668 22809.12495 123548.4211 29163.09547 24436.33677 32293.81884 23513.11029 1017011.416 906162.8872 839843.4455 34809.05788 23258.66987 28788.97755 30485.58221 71268.45853 22506.41125 21067133.34 21022103.42 30490256.67 24591.21355 77614.38351 29384.348 26338.10288 53188.10367 21043.12744 119643.3139 75325.42546 17903110.46 15861498.68 18372025.04 27749441.62 49086.88623 38075.54985 42033.95883 40455.02029 932520.0982 874761.1183 1398122.385 9761669.88 51752.97927 269711.8684 33430.25231 39738.96663 43458.0206 43945.78187 50002.06717 56445.54439 96772.84163 51374.83857 154454.3831 51342.65639 80833.60789 70132.02506 59116.66591 72501.43857 109994.692 273087.9809 68719.02591 24525.84348 Phenylacetylglycine 204586.9928 351887.3165 222796.0496 197227.4959 597624.5066 1258310.121 318881.2692 407640.1397 206673.7158 445580.4596 28086.90731 146027.384 143486.4655 201291.5361 11168.46135 248454.5571 595797.2493 316035.0886 258378.1333 683201.1307 297362.206 290475.6158 252981.9888 1241391.666 2635444.211 2650799.067 1935273.688 34199.82276 28099.3528 308389.8023 254929.6665 1881597.894 74426.45531 30409.4429 225453.0113 240937.016 29648.64352 171865.624 184607.176 147603.8605 392390.2013 287429.345 315201.8377 433444.9406 694716.21 590738.4678 217780.6568 255400.6491 391226.757 736806.1855 312005.3527 455229.2029 746070.0408 498836.7043 421479.4549 714369.7266 308042.3252 34256.94564 141527.8534 430963.8757 179230.966 303852.6499 8110.279117 752932.8314 388754.808 277587.5953 173641.1703 326104.323 204667.7177 270700.3215 89842.37454 229626.9173 34910.95204 21438.73315 299552.844 17613.94604 Caffeine 92901123.71 84603825.06 399567017.9 228061104.1 592580271.5 438248625.3 490192029.8 59179122.52 84719996.25 69573365.91 718988400.9 237392440.7 22580209.55 19537826.28 124372954.8 66917273.69 2017565.941 6277861.894 19353334.67 3527068.229 2719177.365 2731480.618 323957361.1 101890065.8 55649110.14 34822209.92 65880260.45 120623225.3 437486204.8 509001208.6 547503759.3 745480435 225446989.4 135565250.4 449331836.8 602395124.4 74656699.83 62779246.89 127457991.6 178708362.4 43187017.46 38188691.86 21783082.15 8370339.748 38542279.22 30304910.9 19819554.22 3990154.038 4260769.425 4602700.545 2190881.808 93902533.25 37085376.47 30399456.86 41240717.1 3145825.884 275039054.2 354820148.6 338579614.1 122498563 267316347 223063647.2 242242998.9 248784305.9 11856372.39 7156581.978 30989164.35 3383680.413 155990002.3 129625235.9 120563947.9 46407122.29 253587629.2 204410813.5 622049046.7 742113726.3 Tetraethylene glycol(PEG-4) 3919585.228 2859464.016 2733797.351 3914854.5 4110908.395 2560105.012 4035591.993 3891146.336 3711271.019 2092579.613 3170769.339 5871927.682 2488926.132 2976263.409 2379953.585 3131835.456 2257411.213 4235452.046 2531031.565 3369401.552 2959972.172 3429461.211 1956634.074 3730284.919 2962625.097 3868072.699 2531824.221 2816459.165 2630007.743 2388080.573 2036803.117 4029008.014 3005433.538 1946437.334 2228902.777 3002439.168 256101.3494 2269663.637 2516973.255 2382139.175 2186866.884 3965178.448 4350906.702 3206126.166 4749604.658 4276078.929 3459840.86 3698846.225 6385968.713 2661930.89 3285417.825 4639434.105 6288466.838 2665739.743 3893949.336 3722877.695 3442732.95 2558953.696 3648774.257 3083657.312 3603160.414 3629223.448 2842635.104 2943261.581 2784213.076 3205036.767 2614699.558 3197018.554 2225481.385 2287518.033 3301703.509 2941894.176 2447657.642 3479577.429 2639445.782 2869372.871 ADMA+SDMA 17673567.96 16421504.88 20504319.23 18222478.7 13459430.3 15071249.45 16638633.41 16293984.02 15575112.54 13017669.91 12916543.24 19536680.14 20579913.19 17325016.17 16373804.09 16891329.75 22810089.72 16321871.78 15448339.42 17864611.53 17843390.06 15499172.96 16505690.94 18241295.45 12181928.79 15378356.12 16071354.87 17209878.84 15924644.86 16194890.77 14185772.27 14724526.7 21373097.66 17532748.44 19393107.17 21912350.24 14530972.31 15787137.71 13576250.41 15041730.44 15375405.99 14254936.75 15631491.29 16755338.13 14757671.94 14678738.94 15196875.99 18469650.39 16187248.51 17301784.4 13446887.23 17440503.92 16759505.44 15279702.38 16602685.98 14072886.66 21280276.96 18672807.95 20049795.98 20136159.51 12334993.43 13977608.51 12823832.91 12449677.21 17659165.51 17221713.47 17135009.77 19695928.94 18832777.22 16076623.69 17727613.53 17379743.08 16020809.05 17044412.69 16272255.41 17538500.19 Spermine 1942006.216 1848395.352 462644.5429 449134.4186 560572.3021 1131483.995 355557.546 325315.9861 667673.7149 1467152.012 580510.583 693292.3772 44076.12813 159025.8475 162445.2713 116086.3455 445477.9925 699641.0028 210161.2268 935823.3096 238476.4524 319890.6245 229373.6443 347144.7518 246847.7198 326384.0341 548058.0935 248255.9308 417843.1116 1476791.327 1187683.19 1008405.732 561558.1732 560336.3804 524212.3194 797743.7849 348852.2063 491618.5923 288814.7931 409178.8392 320623.363 1458866.44 988338.5335 264422.8045 201196.5727 435517.7348 719678.6932 323813.6742 191701.6514 477952.5942 620841.5418 169964.8809 239718.0844 263159.9304 971134.5342 408491.7042 580847.5536 1273776.623 5901360.733 377617.5419 387219.801 559057.1493 693716.9484 244942.2979 279353.1771 303654.2614 517215.2157 130551.53 287559.6059 478692.0602 480266.0592 246593.1787 546108.1733 447401.036 777906.7796 395065.4407 4-Aminoantipyrine 5815.974162 6123.62098 39084.56911 6162.883445 1.030864396 1.035129499 67421.3414 7369.032028 1.034395436 4223.436565 5028.196209 1.034395436 4446.846725 4230.343004 201554.2953 5672.623144 1.034395436 1.0343805 42401.87005 9426.445607 1.041027925 4617.906452 89555.04938 6013.620913 1.034698102 7021.71823 21899.89015 5256.785714 1.035901464 3958.631333 92024.9342 1.034770457 1.034440398 1.035613252 53365.49513 9825.49152 8951.541394 5454.367133 191011.7132 4529.300326 1.05445804 5469.883065 16014.49151 6213.613383 4122.065812 1.03441456 93198.04231 6617.027822 1.03994641 5698.372069 31394.52301 7628.701448 4296.840824 5186.462428 12880.27781 4313.177 5056.040519 5471.973014 4903.031981 7103.19265 114709.2591 150625.6826 110910.1509 18441.19891 10989.41711 8682.716107 67363.37449 4828.557892 4132.56346 5467.814342 62759.87428 1.042587979 3437945.634 2733290.637 3123046.7 544032.0043 L-Acetylcarnitine(AcCa(2:0) 1380962909 3375251600 2449792535 810184276.2 691685787.2 1770500225 980590706.7 1395278424 802175396.5 2678731634 1427742736 1582103319 1283146928 2283470894 1111443491 1028281798 1273699140 1607400833 1368953227 1332692533 1297992175 3150042412 1603518426 1391552850 1538793638 2338813509 1600820662 1727794299 1853051719 3050515862 1718990477 1018721822 891175285.1 2084293720 837155044.7 1255610624 1304962537 2516946545 2161273902 966619790.7 1045740414 2931655546 1266320662 1326891565 998522017.7 3099986513 1597777081 1566659486 1049795660 2515404304 1571147802 1464254914 1102658769 2242838978 1484273832 1929993203 1499103281 2986006409 1713770831 1889107224 924082840.7 2066237189 1171953982 1053410073 1546153472 2973655418 1143107897 1333657260 1021843024 2331373954 1906783205 2074180965 1102838420 4260854529 1369479641 1512728794 Gly-Glu 310627.2847 1633414.045 1255522.869 251639.4471 169029.691 346057.6824 420330.8575 318201.0195 170638.6756 763678.9971 279809.5743 136177.653 627021.9164 1594926.378 2094795.851 435129.1685 390186.7154 1255743.087 1307322.85 319877.4585 742968.0094 742578.1629 1544914.929 135782.6319 265066.8307 450309.3733 2160896.155 222779.8967 70791.35705 635308.8818 710330.0234 532556.0662 768296.1261 309425.0101 696686.389 446207.5536 18483.48405 490919.8683 1270524.518 138082.0317 515573.4415 562802.3987 1276458.517 228306.1936 386238.6519 957057.2066 2099494.84 91757.75639 130793.9859 1078177.445 1228023.316 124732.0221 33398.83135 729152.7632 1920937.222 35003.84811 295417.3602 312320.5873 771631.1485 163096.6841 33675.59258 746605.5844 655297.193 441640.4973 300489.2926 1091886.55 2577155.961 65508.09423 345660.8921 233323.6069 685918.4923 117067.0255 470080.4437 602467.5408 74395.20493 709355.9032 Isobutyrylglycine 5650568.535 6434664.329 11071755.88 7816840.959 4329355.649 5100340.506 5748444.045 5563499.915 6084439.964 4903677.281 4534843.929 7279871.837 11442576.74 6976129.702 5041501.294 5731960.385 7116896.007 4792953.519 6414877.047 6390454.349 5491244.487 4997704.328 5706912.872 5285737.045 7178671.976 8352575.852 12553895.83 6214191.929 5680595.465 6392759.394 8101582.074 5610773.774 4080772.593 6265001.302 6726868.263 6604088.608 4513644.144 5041674.651 4644086.896 7505345.535 4942212.41 5773614.001 6392581.826 3750490.696 5368206.118 7756434.48 5726868.693 6239508.994 5670773.218 5697190.348 6062670.188 4720558.456 5812036.059 4125453.897 8384027.128 6008461.268 5687207.643 4806695.271 6431781.47 4481702.316 4161253.936 4432567.353 4952481.178 5361229.004 5912816.282 6200210.003 5120148.555 6252061.512 4983811.098 5195793.937 4521560.714 5315510.635 5918744.008 8508113.415 7263249.614 6309357.128 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine 855799.4676 1523131.673 1359672.926 1187904.487 969232.1497 1262414.41 1021401.989 695719.3439 828386.066 1294911.529 842717.0895 744386.407 676259.2825 1005361.444 1064573.932 970099.5468 484729.3681 877258.0275 797813.7711 799990.9383 1139437.257 1384414.678 1543254.232 688756.0257 870926.6775 1048418.409 935657.3112 971361.32 809868.1163 1070570.063 974313.8287 972081.9787 1295324.364 2098137.34 962813.8377 845651.0842 611119.7684 766494.7834 1272026.528 675719.9691 1071553.166 1420412.359 1063826.211 1203924.768 1227262.51 2095649.732 1283083.453 1031652.924 872840.0353 796844.5989 971120.7705 1055615.557 731844.3909 1054703.355 1229510.35 907307.3399 891695.8274 1642029.396 1161896.131 827563.5753 657423.2605 819370.389 1066124.21 663418.2488 1147307.805 1024531.127 842487.0444 738900.2429 846128.5871 1022300.513 699187.07 687626.6571 835200.5253 1712571.538 890235.479 908047.6521 Kynurenic acid 5738282.377 28439299.63 9064044.381 5888153.695 4824252.964 11157671.34 4979214.279 3922752.254 5832237.02 18544624.98 7959723.653 4596876.548 4618246.34 9764423.792 5804743.15 4242587.951 5577347.423 12089374.63 6256316.158 4986558.972 6530637.656 8006181.055 5748302.623 4580718.233 4214461.095 5164758.367 4426573.663 5789610.568 10300345.78 25250667.94 6818329.361 16173400.09 4056218.623 4190265.5 3614662.001 3830780.599 3869767.519 13155198.48 4421478.32 3885547.242 4376513.029 7723921.896 5084550.748 4835336.472 7397527.972 20691049.91 7344266.612 6879091.185 5985958.884 19551654.99 7987451.682 5728341.67 6601902.841 13156068.74 5414283.35 5105635.809 4997356.933 15170395.28 5593874.854 5555519.168 6071076.683 12716240.52 6861057.981 3989856.964 6092929.55 11783753.8 9356802.148 7208027.94 5389172.087 7417696.335 6439392.898 6542814.188 5721855.535 16956444.85 6572834.027 4974246.145 Pantothenol 1458539.403 552504.9572 1047213.767 2184339.765 1400451.785 606144.3072 1226604.883 1535224.266 1379820.248 566684.1564 746500.8163 6616050.766 671853.0368 670553.2359 2257954.761 1887251.571 871370.3234 3225249.971 439201.7694 2007121.025 882333.3472 1760152.961 503569.0428 1291641.472 500336.9906 388019.659 692199.4177 3742754.439 1046416.432 1226920.702 476798.6942 5103240.172 568331.0788 935868.8251 593602.0061 2478601.692 751230.861 626634.9578 1014164.792 1844469.075 506340.2695 1250584.593 1818164.465 1773113.153 3628476.943 809805.4507 593498.8467 1510268.662 1314205.522 876160.6169 3708439.705 1695661.27 1230979.74 740686.0341 654639.6212 884833.4223 783276.7105 467270.1536 634556.5735 1715918.764 739875.822 662564.6599 733220.0813 1527723.561 543681.306 1182196.471 738863.4147 2373597.362 659147.9521 502206.4076 437212.891 1179767.471 469911.7981 460905.774 1147475.327 3338961.144 N-Acetyl-L-phenylalanine 514185.2141 1140177.44 631310.7073 558446.6029 563663.4504 1013168.089 515101.9483 324438.5206 467436.8536 690223.5812 472495.1528 438145.0629 320793.9433 491082.9035 348042.9007 267043.0348 478891.9653 585420.1335 401224.6617 243598.2192 446128.3742 581303.9768 425269.1149 400074.1705 313834.0813 400842.5198 429577.3589 355869.6965 408259.7277 672562.7281 370849.2886 508667.5314 406808.4061 329034.3874 368132.7945 296481.1777 239626.3821 399154.3873 284008.7147 273896.1816 613481.1425 498816.1964 369395.0825 398214.2775 391631.4758 529373.3242 495029.3322 284834.9951 304144.3435 748461.6088 355937.7907 339893.9123 328907.4455 434386.6561 443124.088 312360.3956 465105.38 519880.7554 357449.0369 414661.6266 539838.9913 515940.4246 377960.7538 353256.6992 323454.7083 479151.1307 524119.8886 326569.7751 333376.1705 365874.134 408267.8632 354572.853 307051.0645 437559.6539 348113.0278 282606.1725 L-Kynurenine 94646848.27 104457008.5 75618408.27 60455462.26 65779988.34 84863156.67 66106404.62 56989247.44 82724086.52 100583855.1 52535303.48 64846618.24 101701052.6 115258580.2 102255709.6 96345907.77 77511402.13 76349737.8 73599600.99 65496388.22 114821995.2 109495987 99749918.29 84933170.51 99887763.97 82117099.86 73038903 98477107.57 151738230.1 156483012.9 130996594.1 189855996.6 76005424.12 63146589.35 79346600.01 72353098.83 83917932.86 100443558.9 74543815.84 71627467.84 86144130.59 73117491.2 73644988.55 84243514.09 107054963 140870278.6 106808212.1 96168786.56 104273539.8 118790919.8 102528352.5 105767713.1 105421961 133892851.3 92312972.04 94542524.38 144258568.5 139539609.7 123761690.4 117587272.6 74505104.03 105029540.6 95664776.2 72209883.4 99946843.99 110185855.4 115927498.5 99428988.2 102586904.8 106312557.7 90095281.92 117469856 169110069.7 148628641.5 151901919.8 128432005.9 3-Methoxytyrosine 2415758.616 2392228.611 2181659.712 2555839.034 1763360.068 1789622.448 1886739.415 1755113.651 2267513.134 2296294.165 2118336.838 2018538.116 2716173.786 3072235.604 3272992.656 2744645.867 2105168.46 2695780.669 2169893.31 2079094.75 1465476.542 1405465.735 1638211.473 1704880.051 2475321.551 2401623.913 2533931.778 3178564.79 2390221.631 2405516.361 2378431.708 1914783.471 2807741.619 2214872.257 2828600.125 2231196.688 3853266.993 4157877.394 4159864.301 3291664.635 2832418.412 2334477.451 2465512.971 2603026.405 2616607.461 2575920.003 2663968.069 2039872.162 2115968.099 2162169.967 1980548.587 2299914.414 2553447.372 2730232.122 2518675.528 2579467.803 3255632.58 3467568.731 3515124.301 3212006.159 2558850.864 2463873.951 2481137.159 2293720.258 1952511.57 2157594.702 2542008.493 2159088.502 2221959.8 2043673.87 2503603.027 2127578.683 2321297.361 2067693.554 2042240.947 2734328.186 N-a-Acetyl-L-arginine 1927649.991 3562947.99 2263679.954 1791826.81 1618462.518 1467513.459 1621256.125 1057306.974 1917046.472 2591711.629 1387322.241 1258374.667 1846945.61 2374487.662 3712805.221 1532098.34 1064638.122 1488649.324 1497313.591 1007596.522 1268418.299 1769487.99 1588635.244 1040676.166 1461291.233 1568060.375 1714492.316 1231304.111 1114406.879 1638543.753 1458031.111 1972701.14 1749294.156 1251383.333 1277545.036 1218136.798 1474483.68 2096786.751 2362493.615 1550256.302 1789816.544 2169053.654 1866282.871 1965502.7 2208543.528 2906356.821 2399424.826 1216418.623 2181744.422 2529436.08 2678951.486 1855404.782 1176300.394 1670220.893 1664110.278 1090823.953 2280739.928 3362142.698 2319647.82 1913844.85 1393253.731 1821583.176 1729600.995 1222089.908 1734325.222 1866482.939 2329636.157 933052.4602 2160390.718 2159125.637 1907081.735 1670396.848 954204.4107 1600121.581 1094033.09 1145164.127 Propionylcarnitine(AcCa(3:0) 175176482.3 781234696.7 232814257.4 137351856.4 142710602.3 309164310.7 207165332.1 153690662.9 214302782.7 423707336.1 121760490.9 127559236.1 155769685.2 323401699.5 243526417.6 112721878.7 136147981.6 155741843.5 153763722.6 108934785.6 263327146.7 398167042.8 199481468.5 156513254.3 212783284.6 162919435.2 207415024.4 211057147.9 280398851.4 304581981.8 218377926.8 216714718.5 75002500.35 100056046.1 68367595.88 83413120.46 137883887.8 233599558.9 178010303 93551467.93 183422534.2 189405050.4 161846193.8 171850028.2 242049865.7 636560344 277317777.1 153118304.7 191756090.8 365795765 256562445.3 216506936.6 154958330.9 192860781.8 177463607.9 133909692.8 228960690.3 366703314.4 251488883.4 259756265 229580876.6 207951055.1 216883446.6 159196241.9 247691235.3 257879344.4 234104427.6 164267020.5 166278112.7 308316560.3 172375959.8 311291469.4 150024147.8 243818189 131093038.3 149099376.9 gamma-Glu-Ala 4321839.753 6511370.928 6880171.789 2123003.94 1485254.454 5202461.855 3841867.037 1672024.195 1649647.473 1878821.533 1980335.88 3077833.215 2579654.746 3016999.816 1702078.626 557137.1888 3659603.223 2064274.022 2354009.582 2353300.162 1658405.923 2492308.312 1692902.11 2081572.506 2205458.686 2163683.395 3819366.561 2961918.751 3230658.269 3319623.826 3657357.095 5015353.349 3210871.491 1905837.345 3505767.489 2410484.37 1452075.946 2316447.297 1521070.524 2209465.957 1561264.711 1772596.244 2828087.746 2784832.785 3296905.419 3316307.653 1678098.62 2082614.148 2153002.671 4445082.454 2756431.963 3111727.633 2748094.313 2314135.131 2548272.887 2036512.319 5326747.965 2306249.801 2129252.582 2375114.712 2634289.972 2916843.728 1252849 2498021.906 1826768.519 2081901.978 2920354.839 3526929.256 2398109.243 1977123.82 1207758.067 2261487.189 2641239.107 2121416.025 1483427.791 1502651.455 Ser-Leu 474560.6527 1103208.52 435829.2797 279264.3748 265898.3052 465695.623 252577.9021 222382.1651 428299.1578 511326.5119 310111.3434 452090.579 256998.0894 339008.2436 321103.624 405775.5567 302082.6126 602658.3105 328706.3079 415244.7906 301424.3399 273408.6016 197117.5756 210577.1867 337113.7368 432938.702 382600.0804 435435.9127 397715.8559 482638.6879 321168.8344 389147.0798 365118.1181 290543.9772 295485.8689 296885.6316 334650.1875 438933.8645 356763.9445 283480.7348 398025.9285 485634.7898 350065.5966 367340.0462 419213.636 293134.7474 358692.9572 253859.9734 388213.1527 446130.4459 357543.8465 328453.8384 313139.9902 350593.7442 526511.1667 291166.2749 490101.6615 522674.815 1039537.902 481045.9609 627510.6484 486082.0557 689148.8107 484458.2429 398509.1712 235032.169 462813.9208 272474.662 563218.8719 499338.1593 646181.6714 614280.7796 493869.6322 299719.7735 375899.3615 380743.6083 Phe-Gly 579650.8783 869148.8164 631282.7067 449245.7987 339998.3077 338959.1312 242306.6837 219011.4749 400666.7592 431269.2758 314368.9639 499391.6566 545282.9872 586557.9998 815556.9968 689123.5297 439562.6576 746514.9489 643853.0411 571948.332 487569.1634 559064.9514 432450.9171 635013.1293 424125.96 752852.321 805918.5339 789083.0712 575938.5304 907324.512 543829.3791 504640.5867 411742.6159 650392.1204 470520.7963 450294.462 281215.6207 458033.1169 442500.6371 388339.0759 335024.1026 289755.7261 291331.1021 326811.0047 696586.7649 412277.2504 441779.3569 345115.0492 255295.3876 462820.1926 337209.7838 294064.8984 489662.4889 564456.4319 477567.8306 434288.0933 392214.8453 453815.2232 450560.2738 490657.2325 429494.9626 504734.8749 458578.8534 451138.04 479821.865 561730.0981 537114.8541 364370.3282 367819.1864 304934.1237 407379.2781 427409.8314 363433.5261 429542.6796 348094.3251 331565.5305 Gly-Phe 373005.1902 685297.1636 346214.213 439902.746 306410.8536 304632.5816 223973.3898 132428.3825 261670.8851 260620.7591 188016.745 194422.8743 200500.4448 334901.4078 257702.7128 112524.5317 264651.3059 336503.4499 270693.971 263645.6701 225122.2434 247619.1745 238532.1267 221225.6996 245759.6299 272833.2512 391500.7682 252097.7054 235300.4262 365513.6442 359930.0063 263163.0307 370761.8261 272429.5628 302421.0487 258231.6739 253294.2378 394252.5885 215573.6374 267493.3442 193291.3483 257543.8429 218674.9563 236192.3969 197053.3849 259777.0957 341279.5084 215507.8002 209663.5042 205391.9893 239253.1302 167930.0136 217629.3234 247044.0991 423369.2636 196146.1292 234508.9178 275122.9513 790039.1128 269718.0788 183378.0842 257954.736 342106.7832 227942.1538 275779.0451 226069.9427 304445.5704 268867.4925 199473.0557 121631.4711 393368.809 239064.1628 228301.9284 206791.4332 224016.9248 263268.3688 N-Acetyltyrosine 138906.4409 370406.3332 183984.8233 190662.8538 108192.042 76611.23172 110557.8017 115293.8307 246670.2424 422755.2564 260309.4573 90633.77578 105613.3376 305316.103 197778.7988 144955.4122 89167.15826 329793.9965 81151.5258 83465.19999 185477.2467 221783.0494 166072.4278 181016.6549 167907.8096 111786.1425 155711.4196 279570.1612 108437.2961 153580.7263 96114.63453 119384.7095 134444.2031 130765.5621 77349.63173 72602.57162 112953.4792 88723.65992 210590.5615 81747.03082 103744.6893 99463.69229 81870.68153 116089.3422 144414.117 151827.9161 101138.084 47652.98238 131207.6744 140519.5322 54084.72301 136665.885 79515.36459 156234.7387 126782.3123 117160.0686 121908.6707 176175.6227 153673.4293 181884.5893 221065.9121 188562.9918 186045.4227 177567.282 151281.4686 137216.1907 98407.57215 80875.08302 117282.4434 93077.55983 130110.1562 29037.88602 131055.9133 117714.2566 61493.12007 143455.6685 Porphobilinogen 1573939.206 2943313.975 2616263.943 1334588.433 1369963.453 1606807.29 1659474.575 906727.468 1435049.696 3107577.35 1279242.245 1098014.285 1072237.41 2004640.013 2038179.782 1215105.662 821726.7994 1450470.755 1541559.53 981767.4527 1584159.67 2904284.174 2101666.795 1070753.778 747978.8194 1373253.746 1854533.374 1179221.913 1314854.742 2662627.944 1675013.543 1123179.722 1859224.302 1325248.069 3589276.886 920759.7445 977541.7678 2745915.819 2276315.596 968844.443 1247878.919 1994883.874 2195471.468 1134675.411 1558611.961 2602855.938 4458798.861 3129737.995 1448488.322 2332885.248 1926763.147 1077071.562 1537202.022 2823983.321 3121633.333 2342049.788 1193419.276 2864121.4 1868638.112 1593050.602 1382666.201 2092094.305 2706906.76 1132553.678 1204488.111 1817031.655 2656511.665 1753787.633 1076997.479 2157078.78 1888143.274 1746444.799 1781221.029 3872790.8 1618032.321 1387141.789 Pro-Hyp 13411429.72 30496410.34 24319670 8731497.285 11648833.87 15666466.59 17420040.97 8956147.313 9655118.159 12645713.94 5674485.909 16690533.71 61791211.14 61520382.11 45052691.79 44758877.98 58996874.83 35985918.07 42378988.8 59205096.75 40583819.02 42881212.82 50468251.01 36613771.79 48107122.84 58594070.08 45806350.88 57174470.5 44545972.76 60865340.95 44245617.19 53220395.6 56035631.55 69378238.9 50387811.37 64012600.78 17841776.21 25707507.58 15662039.38 22598394.65 18929559.67 16187432.28 18407459.18 21838793.26 12766851.33 11614869.86 32215596.73 20776407.37 10994793.61 16635432.37 11833535.83 10420942.72 15049945.55 13346226.19 20828275.24 15799810.62 24466185.51 24781270.38 24551797.19 24409096.56 6670911.091 10530746.88 11187900.86 6103236.794 25205269.57 33397176.83 32655376 37611674.69 18386487 21204941.91 16512202.11 23500657.91 20176698.59 35179984.45 25613227.62 20268062.96 N,N,N-Trimethyl-alanyl-proline betaine 143491965.2 343186746.2 110997960 229260452.5 68344023.29 71471807.44 78627834.34 49107456.91 78056816.86 156084274.1 79367693.18 145920167.5 76895336.52 128621754.5 49733927.37 73372116.66 80785264.28 86836534.94 68692801.77 24517644.46 35469634.35 127994481.4 82365638.13 74468482.17 28993823.98 48931851.33 52512630.39 57632508.97 149119382.8 355699368.1 127175086.5 48487378.13 78264236.08 76224927.74 114149827.8 79654714.02 69496800.46 70097278.52 59168663.99 69500232.96 184044222.9 200760833.7 131304293.2 133492957.9 175053135.1 133601397.4 120049348.2 132214372.2 58871730.88 93949840.91 117487914 155805177.5 105007656.9 272934601.1 85922019.21 108878771.1 135256997.9 94733197.76 120933574 143963860.8 302921551.1 220195601.3 97142141.06 106424008.1 68634156.51 116203087.2 110987277.9 96337325.99 30967906.4 54972489.18 96621946.28 219086982.6 125637656.9 176884248.3 137804853 101373212.2 Ile-Pro 385563.462 921721.5672 475916.6006 390917.4708 277496.8432 532622.4067 355551.0459 235158.5416 416425.0219 454630.0513 244542.3732 497280.2866 277100.2279 441293.8072 394641.9734 352325.0353 139393.2959 433631.379 252468.0805 240151.3392 400293.3627 386543.8484 163786.0806 333993.3378 182395.5832 287493.2942 642289.692 378671.7923 315284.9721 418213.2278 305485.3021 489651.4946 270659.7743 219479.5063 287247.435 401297.0516 320909.4506 277655.0713 366580.4741 340400.4672 482020.8978 262313.479 469297.8252 443469.2586 571125.6911 421644.2735 529050.2595 199382.3546 298945.8568 292506.0967 404359.2435 437363.2599 308095.7546 271462.4562 527037.8874 229925.8174 427981.4939 326752.3982 547493.8008 372346.4236 510702.3825 357395.8715 469287.9988 312381.4002 215823.1685 166305.9735 545091.8796 211154.4668 235691.1876 316505.101 365340.714 374389.2248 268425.8421 258326.248 312558.652 310823.6778 Leu-Pro 307180.093 107401.5741 245684.3884 26520.46451 34144.41145 523604.1179 200831.3884 124360.1344 38007.17255 188229.1373 164807.8604 284017.3215 155266.3024 284320.8293 234388.6266 15630.61722 22802.94871 541171.6878 185645.5357 307086.2131 47727.36703 23373.2293 237214.6387 149862.977 24096.91194 288609.1959 362738.6718 27721.24545 154223.4418 356926.1102 65683.41246 41598.59694 25551.31473 17135.06184 210853.2297 216453.5334 227118.7789 332149.9149 130260.0072 81468.93765 214503.1943 315408.5221 214010.5409 183029.4011 252503.4464 86078.98304 26265.57086 75387.74349 17872.70974 20067.53101 78214.04434 64929.27768 248474.6485 166007.3277 579448.853 49844.68038 231334.0829 267780.3201 993036.3453 345568.9832 234509.4263 157637.007 409453.4152 133259.7955 188625.864 80136.9389 489672.936 159654.4374 245880.7224 15262.31277 318635.7276 396259.1167 24067.01645 35903.12758 196011.7399 229380.7558 Butenylcarnitine(AcCa(4:1) 521563.5491 787041.0639 469291.4474 588019.9081 461172.0721 511901.5569 331489.39 329990.0171 404869.028 610180.7508 519312.5375 446738.4188 458249.7452 629392.1058 550844.1721 494073.9344 454330.8458 608143.3657 548963.674 382373.7426 739708.5652 828754.1608 660253.5627 609131.8897 687858.8236 678930.9337 731851.66 919157.3428 641234.2811 972357.6313 527745.0922 550878.3632 441476.0119 396367.9436 426493.287 352606.3997 494014.6028 703713.4207 436022.5374 459678.7305 561050.2044 485245.9906 383088.738 287115.4296 665881.0094 797665.4339 780396.9358 810502.145 612602.2823 865325.5252 655130.9369 688410.9066 566876.5291 845341.8545 610052.0315 601124.1416 440494.5267 659672.3146 535391.8145 462050.9635 387301.274 512906.1708 451380.9387 368737.5421 441349.2599 431218.693 417547.3269 335826.6223 330823.6757 390289.5172 432760.3077 561372.0027 561522.8451 606154.2503 452406.0903 554842.5153 Ile-Val 1111160.517 1560893.575 1204824.458 1140656.723 757455.8467 899637.8267 814699.1777 565719.2901 951418.3993 1067094.754 871325.9018 936199.8054 622045.2314 856571.2819 930844.476 789638.628 624151.7479 919279.5629 702095.995 785913.9278 1033994.303 851784.3989 729250.4779 998435.1787 719027.3065 761178.4209 1211140.167 1092045.853 895013.7755 934942.0333 1123660.468 996976.4819 875849.5035 612155.4182 887071.3912 814084.937 815534.9914 1023730.949 812396.831 704452.6089 833697.2818 1045895.391 984761.3332 929681.0028 1054272.825 901149.9898 1251017.749 641067.2953 797700.3506 784493.4928 826095.1666 739148.194 825206.2476 743774.7469 1153162.164 654500.4796 889457.1497 770379.8466 1548290.228 757551.7097 1117951.376 668199.3889 874158.4507 810351.9823 676402.0804 715596.299 1072236.708 782175.9664 839138.9729 706291.2408 890188.8245 815104.7008 790210.0755 530802.9423 783100.3492 761871.5212 Val-Ile + Leu-Val 778602.5315 954928.7902 610268.4539 502223.394 431189.3686 581560.0507 346921.7564 287501.6154 443864.3768 518749.8248 215694.8089 585277.901 301722.6417 365501.4581 392135.7779 381741.9903 272813.2088 483281.9068 280257.1143 348851.8698 373130.8263 288808.5918 303616.3558 278825.2762 249310.7965 265358.3505 585189.2382 277190.5825 403023.723 624699.9451 571446.4543 601355.9339 396517.6554 12532.41955 343794.1898 317304.4201 190454.7722 360302.641 396745.8916 354221.0978 361545.2515 287450.9136 443694.621 370560.5487 628202.4181 461744.4401 692120.6976 322980.0341 289541.8024 382981.7193 342782.5092 408641.598 412015.8032 467478.1963 653164.7885 315351.3085 486140.0359 350907.2547 1655263.738 447386.4987 476174.884 364561.9538 445844.0139 367557.6651 274183.0004 209107.5531 501323.3951 330758.5261 398741.7115 308880.0654 564693.4678 547884.6446 419514.3767 337165.0646 247206.1511 381068.4056 Val-Leu 1647390.418 2933624.261 1830795.181 1499990.193 1147439.204 2186728.244 1170915.346 975308.6786 1258043.3 1626829.825 1021298.15 1415082.374 1784370.334 1863446.341 2715111.437 2306653.327 1181360.867 2283185.615 2451528.376 1877121.079 1568023.502 1904114.34 2679189.026 2068279.479 1952050.137 3845255.361 3602390.222 2952099.011 2554333.319 4473924.258 3119662.054 2789534.866 1653217.519 1680787.652 2026230.152 1548288.143 1005761.193 1513371.053 1225456.457 1127774.098 1095158.56 1291119.939 1208844.915 1376257.556 1238441.522 1406670.491 1394260.32 1225709.766 1262635.518 1678848.254 1245667.76 1206750.166 1349380.065 2020212.08 1659233.612 1253589.609 1796399.552 2200663.218 3015396.625 1543429.751 1409103.645 1346186.984 1468075.213 1073284.915 1518438.227 2109657.932 2746646.452 1520928.77 1730085.976 1419285.487 1983053.798 1545336.497 1402608.639 1807069.213 1535335.731 1433723.122 4-Formylaminoantipyrine 6403.134615 76803.69942 92138.70307 29548.78541 6018.088664 0.997528371 618085.5368 178482.7638 4485.885086 9315.917459 0.997528371 7893.442002 0.997528371 4516.808465 973908.8945 297958.7319 7462.509746 6329.317516 270329.1911 188562.788 19996.45373 6679.449974 489943.0423 195919.5598 0.997528371 11406.73693 400106.6347 108684.7062 0.997528371 10989.77007 527379.2845 254960.2715 4654.46738 0.997528371 161848.9782 79381.31273 0.997528371 10221.67322 761070.256 216973.3936 0.997528371 6792.17068 313364.5601 167798.2374 9384.746917 14592.84254 706573.2861 274560.7064 37585.8715 31326.38097 78161.33553 26830.5206 5635.037769 9596.222932 90551.63543 6325.327402 11206.23372 8921.893753 42837.85838 12433.19362 20338133.13 20135041.34 14501759.23 2833745.679 36237.21314 0.997528371 471458.8415 124203.255 4402.092702 6626.58097 319270.9256 124885.5644 41250354.82 40075227.49 33681235.23 9160553.413 Isobutyrylcarnitine(AcCa(iso4:0) 148377181.9 398348697.4 146395004.3 152680434.8 169830931.7 267790739.8 151665468.2 101435856 128223217.2 279889043.6 110888953.7 71769589.12 120082648.9 255922645 209704244.1 69603283.92 118833997.1 184033543.6 128047071 51945322.69 217200214.5 294476067.2 198515662.9 149829284.1 54460457.45 59760332.5 72758996.21 62597766.43 146204209.8 228402067.8 126153298.1 196920131.7 58600216.09 44324956.16 50310937.14 61688329.29 56949498.52 115021878.6 66435173.77 59065944.2 93295530.85 97291964.75 69543981.21 101384666.8 225387773 393998272.8 252637836.3 119868595.3 159383110.5 345773854.9 194482848.1 134959643.3 95288233.97 177013716.8 105506595.9 76360398.16 157695387.8 220911675.1 146247529.2 163529573.1 138814280.1 191658491.4 151065257.4 111454901.7 163740604.4 192820431.1 181926690.9 120164792.9 122399986.4 152568454.4 130851230.2 234682283.8 93626051.35 111408399.9 67127053.38 79066017.79 Butyrylcarnitine(AcCa(4:0) 31704306.24 98616838.75 43366969.86 36803746.58 43501190.53 75982997.49 48101875.4 35784266.29 42395639.2 66855408.15 47168475.44 38492046.14 53339639.54 107745481.4 49632779.91 48675274.61 26767524.65 46918881.99 29228620.78 31988195.14 42672432.86 62791953.83 41402833.4 35051452.08 36939539.81 43202607.79 31672569.85 53626279.22 69786625.06 155010459.2 54880593.72 55015361.99 18952301.65 27570203.99 10839710.41 18362418.02 38526932.54 106274567 46301872.82 34925728.9 26651142.53 46745074.54 24102500.96 28540304.93 46530732.26 87416492.92 47769716.97 36885131.77 29114632.69 80279071.36 1540916.17 32181346.64 27460624.2 46792727.16 24603535.54 28180716.05 67503513.88 106640554.6 67457894.15 66269024.46 24209225.73 39917922.15 26508257.89 20643860.56 34618726.8 42942378.64 33527706.28 33592040.02 30095202.43 54579350.15 36496791.17 44561898.35 30794774.7 55745645.76 35158717.73 33434160.75 Hippuric acid 1479516.934 4157410.739 1840900.29 8632761.786 40298264.92 51125904.12 13048283.91 17661235.29 18464121.16 27601005.86 5402254.751 12152271.68 5164323.787 9911964.903 3250787.365 30236703.46 24446732.64 25157545.27 7072546.101 46966045.64 19940805.74 21984603.25 8722098.544 69272312.77 89110130.32 170129747.7 106442872 44931366.74 9643892.951 17667534.49 7186159.51 85157956.64 4598661.167 5219542.242 4120082.819 8884084.421 3401437.679 5714097.672 2428379.463 5347762.915 15008203.63 22199153.73 11834080.69 44161262.69 19251748.08 28020551.63 4987082.953 26992893.68 48769083.78 72725555.75 18360099.92 35990705.4 26696988.08 41156031.27 12563515.18 51692907.15 10451227.87 13848461.28 6762280.728 33126699.3 8999628.054 9779964.685 5784633.738 38175946.7 19200520.24 7179086.022 2676776.792 16010678.77 4105729.316 3093885.807 2532875.266 35168028.75 4455309.496 7590945.847 7966944.721 28813228.61 7,8-Dihydrobiopterin 122457.9636 300488.6757 278960.6305 104284.5302 48332.42325 45151.2324 69733.65435 70442.51254 58494.89186 114716.8852 43095.11007 76701.92554 19276.82426 48618.56784 159783.5749 17567.54386 13941.96179 21663.5181 29958.47189 22881.81259 6970.980896 47837.08961 111162.8393 6970.980896 25983.88013 6970.980896 58412.5169 6970.980896 117039.6423 24566.16373 58355.07121 45309.47903 40208.73487 19870.79107 32276.89343 6970.980896 6970.980896 112920.8943 60404.69025 44817.39704 76480.81381 25879.82755 78840.42283 20282.66587 44647.22772 61412.69962 133913.5023 6970.980896 19610.65962 31377.27217 131562.5643 38529.80314 55603.35057 106091.3599 122474.2218 68854.62682 27836.79456 43613.20521 59991.73158 24834.96622 46279.55261 85481.36195 88066.41822 20688.03737 31958.23241 6970.980896 25373.6551 20372.62799 95036.85718 46433.33963 19880.546 57601.77389 103832.5517 22181.62544 54478.02873 19546.71064 L-Methionine 349273902.4 383339079.6 462325609.1 330669218.6 239690163.5 389980745 461842971.8 301153504.6 459124659.3 339502963.4 213472151.4 456508283.9 394308546.8 379879282.4 508907214.1 378509835.6 317429070.3 314740365.6 313463174.9 354770342.8 426887490.4 253940122.2 293251724.8 396230045.4 377433253.6 292703920.9 531615124.3 462167207.6 352421062.3 339711911.6 353171932.5 595243670.3 310134792.8 216438627.3 187034502.4 333515450.3 325172439.3 405242526 423722249.5 439887909.3 416276131.2 305626105.8 457494290.2 454785393.4 441369739.4 307812230.3 334569228.9 289160462.8 326621218.4 477715245.6 335966876.2 430861693.2 361886570.9 261358223.2 354252809.7 299060828.7 338635008.8 279910393.7 276087369.8 436330012.8 381011239.1 306209098.3 290020809.2 363920799.3 296224623.4 213052886.4 391663044.3 341472336.8 386081584 286498250.7 358413499.9 320726276.5 348926435.1 241664690.8 237820763.3 383685382.8 Tiglylcarnitine(AcCa(5:1) 12452416 33667229.09 18117988.64 13497673.25 6129906.034 11261913.03 6796449.771 3870125.332 5850805.339 15656088.95 8362421.547 5676018.982 4579801.213 9372836.734 6752190.869 3660181.905 6059796.531 10042380.58 7457226.118 3315829.102 15467680.65 23713996.01 15650329.41 8619609.246 3939516.736 5953054.127 5204313.041 4554626.47 9033691.381 22238115.77 10591918.29 15667627.66 4399513.037 3437394.22 3514103.166 4488598.641 4904308.534 13224141.18 6769900.717 5516363.152 5562748.847 9524759.487 5992923.879 7257106.213 12478351.08 20878746.44 16324194.63 10877540.18 5164708.525 12368757.89 6804776.144 5170715.836 7983119.841 18159319.15 9174287.611 7838426.956 7797655.935 16622574.32 9590829.598 7165835.858 8748116.309 16591892.51 9938804.293 6525225.241 5744571.457 12130149.42 9367045.767 6195793.387 5853296.248 10103043.18 6372982.241 10014479.8 4807585.204 9200237.43 6426453.643 3918937.437 Uridine+Pseudouridine 3204663.591 3126968.109 2403333.332 2034707.898 2114708.856 2046351.732 1308719.217 1030983.698 1736570.05 2038254.911 1109451.046 1528458.298 1634828.737 1932810.22 1929694.968 1968862.809 1933282.834 2417235.281 2305964.962 1813350.236 1959286.824 3131167.347 2802270.816 2092131.091 1209818.825 1400903.206 467158.9619 2063587.511 2040623.313 2261263.511 1758459.036 1566100.251 2289433.411 2695631.368 2511511.452 1110745.377 1426182.067 1802040.565 2354689.331 1599618.293 1857538.833 1987873.722 1269573.485 2397605.401 2069292.885 2931814.719 2504852.682 2699258.004 2274603.039 1587818.164 1534393.706 1621383.966 1368593.338 1698935.358 1346318.253 872333.4851 2803756.828 2393768.799 3019919.728 2271223.947 1130403.655 2420224.004 1921446.518 1154663.453 1969931.915 1965033.856 1805533.192 1335368.121 1981474.56 2066575.548 1585608.503 1512018.401 2212336.931 1984686.839 2026562.257 1925438.498 Biotin 136668.5795 131220.1813 97626.31897 95759.33717 53169.38555 58000.44211 102662.3474 69309.60812 46010.71896 89011.79277 58309.68813 78560.40531 66861.34247 70977.79832 70017.23064 20266.15146 43982.82385 48881.06763 75833.71059 25907.44809 22226.63183 98826.02957 46422.59607 96651.30484 16872.71273 29182.78569 42987.82195 80004.64833 122436.638 104487.0956 71770.38277 66480.10222 44337.62693 32090.39468 99087.86229 90932.93808 43034.02588 47236.21405 101476.4733 78467.36316 90683.94175 148047.6225 143282.875 119509.4715 50261.11321 77858.16379 40125.83825 135104.3606 24379.02282 39486.12387 155002.7935 73837.80173 51709.59039 41196.6217 84526.95397 71133.19975 56984.79983 34235.5451 82622.55639 75011.93259 32144.1742 123696.1607 49010.97885 96196.3113 78166.349 159414.0404 63830.32848 44454.70236 70091.05965 96042.90323 108533.9337 49904.13882 84550.55711 178129.9445 130676.9162 184916.5292 Ile-Ile 621069.6256 395840.018 512452.4513 428306.6274 309492.4017 553651.5268 388109.1707 336017.1203 378168.6676 487185.9002 209479.9109 361668.9854 395672.9177 331762.9427 553726.2305 215815.9619 359016.022 282544.0143 412048.6716 339135.9986 363637.8203 187714.6027 441274.5952 401854.6466 252098.3562 24733.7963 721128.3147 358274.883 616920.623 611666.7923 631206.7174 692563.0064 207592.6602 168411.5668 287678.9292 191432.0933 208656.2046 360068.7541 412812.4959 312052.9684 370097.7221 289558.3164 475407.2931 295755.7724 483719.0596 497719.1177 648170.3488 396947.6043 264288.8161 396768.8992 333615.7889 389687.7774 562578.6155 511536.3483 673233.431 326806.1304 430593.429 234255.9738 736875.0626 521071.879 433843.5457 375225.7361 414359.6483 320963.3472 230966.0633 343957.3343 659312.9914 268790.6953 493404.9806 324333.859 543032.7929 586455.2857 309263.3223 316834.9864 219925.6468 379491.709 Ile-Leu + Leu-Ile 4729565.329 10908808.15 5228310.751 4398254.051 3047136.542 6064361.475 3191727.507 2917844.018 2872630.998 5085938.953 2651854.843 4086693.358 3655801.264 4662855.173 4976210.881 4732925.517 3374307.938 6393752.648 4190416.576 4306922.248 3604815.818 4192719.881 4294446.701 4238252.762 3907156.569 6486834.549 6479315.55 5660972.559 4986430.303 7720587.142 5523384.678 6205693.497 3053353.714 2859525.4 4093728.945 4064927.596 2730478.046 3228288.833 3095464.938 3209943.221 2967430.687 3633721.46 4096413.257 3804111.527 3225969.086 4499284.724 4379379.896 3444442.319 3437293.672 4142011.423 4254013.637 3779565.089 4089210.579 5157143.172 6107092.91 4174117.578 4611643.9 4829925.598 7608567.621 4463314.809 3513069.478 3647071.075 4931687.991 3118346.701 3068897.832 3259495.535 5252414.526 3266593.066 3883634.785 4266460.144 5793127.454 4150890.138 3570829.499 3429841.394 3774918.68 3320796.292 Leu-Leu 1870479.122 3029806.883 1021895.321 885767.5858 648831.5138 1173999.857 580483.1199 580311.8503 876858.6717 1585040.248 864252.1123 944476.0695 566793.921 758737.67 545262.3323 553775.1997 661676.3615 1253524.14 662993.0283 783267.7198 954198.2258 803178.3264 570293.5073 664183.4974 640548.3218 1252229.15 767722.0122 1006928.142 834619.2629 1315989.019 981110.7743 1025757.636 663205.3875 494661.8208 916387.5352 675496.6343 521628.2232 769278.3627 315584.2282 636648.522 1751382.341 1558535.325 865086.9728 568864.4566 849322.1253 1038894.78 1188192.66 462243.3422 464915.1481 761741.5641 611144.103 406106.8748 706562.7004 902200.4798 1279671.3 759035.4888 1217177.358 1650384.359 4022015.472 874229.6861 959820.5554 1338705.645 1393633.143 677612.0157 367824.1203 558763.2768 875650.9024 340601.96 657128.1224 1047171.86 1314176.416 959512.2701 522511.1524 885053.9418 972133.6516 554065.7348 Isovalerylcarnitine(AcCa(iso5:0) 28929838.43 68520411.1 32051078.46 35786867.09 35953860.15 44955851.78 38194907.76 20290840.21 32134823.89 55434109.82 30857751.57 23811117.86 32074766.59 60073167.13 45133405.1 20230115.2 32465992.26 55936687.15 36588408.63 18266678.04 51702741.31 69924033.36 41408697.59 27764249.66 28741587.64 27399811.54 23930064.56 22379251.6 67546403.54 90272199.14 52059653.25 72043268.08 15910193.01 14839548.69 10882383.38 23461595.73 21790254.12 37831980.49 23556881.38 19186190.41 36777443.3 33466583.25 26677233.18 28634134.5 52366577.62 91412458.65 48767730.91 36344841.45 27308646.58 51191365.81 34699804.07 28446938.89 28230805.34 43377123.4 26508415.18 22601255.18 34087751.08 48467987.35 38441333.49 38093013.64 37419956.95 44157725.43 34174151.5 25160696.99 28041047.4 34131597.07 29936720.22 26286430.49 21893070.09 30880005.55 22143218.54 47716839.36 29324640.09 36613266.63 21110808.27 26825648.75 Indolelactic acid 25383158.85 42285541.07 32291635.72 24964222.48 21039559.91 26828898.32 22440037.31 19034753.44 24566329.22 37915453.61 28322867.65 23020095.59 25322790.23 33348572.45 33825698.58 27996849.74 13958586.94 15356091.61 13882180.63 13192452.68 22014867.68 24719802.38 23415978.32 20555000.09 14988815.48 16304222.56 14314061.53 14454973.94 29190299.16 34386263.18 28686227.4 39134830.55 22383912.18 17512533.32 21587004.05 21839423.47 16657844.39 19617059.49 17343871.41 16614049.72 26985734.68 28971898.02 26026130.61 25135555.06 22592043.84 28512145.01 24790479.85 25880750.56 26840617.82 33307814.88 27365255.01 26625799.73 20680995.13 23861499.71 18013534.42 19252972.89 40517876.08 45075906.37 38557542.17 39795523.33 21130702.51 24059055.15 20343584.77 15143853.22 28369233.07 30624714.58 31699569.54 28105970.79 32069000.38 31743992.23 30437284.92 36940326.39 23335706.58 27040256.9 23803110.51 23548712.7 gamma-Glu-Val 15437707.19 27278029.03 14105914.41 14217182.18 10771852.08 10295537.01 10787687.26 6832745.31 14075331.48 18296642.61 11611801.11 10631603.55 10257871.6 15136004.65 12055701.95 9022731.252 8008026.936 15156474.25 10125323.96 6679331.371 16529373.85 20233174.38 13156222.91 10387411.27 8581843.327 6714032.509 8618951.429 10408986.67 14899170.13 16566544.43 10647904.85 13657653.86 8676627.319 7439193.069 6242528.441 6821377.935 9612755.723 14008853.37 11896557.71 9044348.306 13652379.35 13035072.4 10532490.59 12344164.71 17205202.07 23975525.99 17935209.28 8913187.129 10219959.19 15564277.58 11832555.49 12218996.47 10436462.12 13975410.76 11701049.18 8406126.047 13931782.94 18063775.07 13480780.96 11253182.35 15375315.85 15122750.98 11258444.55 9501544.477 11159646.97 13927050.32 11441059.98 9651634.089 9245346.144 9879858.134 9103001.064 15841934.29 13304035.67 18415192.77 8642313.953 12816278.7 Asp-Ile 3801135.541 9494249.854 11498593.5 2406490.743 3513006.071 2617789.354 4458353.77 909713.9504 1315288.649 5544107.274 3263436.401 1334320.101 2481317.658 13011743.78 14978339.87 1249586.876 1581427.015 6480539.72 5974453.649 1284836.161 6196835.625 14867413.73 10315572.64 1183166.976 2203099.811 3704612.637 6420289.833 1072353.78 1782442.721 5965528.741 4743869.538 3540712.769 2937147.401 1849475.887 2855786.403 3461077.574 1577540.778 3554912.486 7878114.071 1497159.732 3485512.748 3712291.325 8253724.196 2923080.712 8728963.095 14432640.82 17164171.45 1219091.101 1791996.153 3639806.955 5803653.242 1288565.325 2030176.308 5015228.4 9812134.994 1137406.073 2819177.621 3400037.153 4624175.173 1599719.367 6344484.372 6705052.641 7451145.57 3623783.885 3154899.333 7830083.006 10407976.72 1745999.371 1977654.704 1873801.661 3320270.014 2894599.81 2681308.561 3386984.186 1791803.13 4533739.7 Asp-Leu 2274446.05 6137285.802 4895753.603 1374396.785 1691769.106 1359884.483 1622983.561 320633.5289 701510.441 2314058.647 1222291.147 743421.3059 1484044.861 5105060.143 5077376.632 729539.9869 809235.041 2377514.674 2123445.664 491554.343 3228526.97 6544774.981 4998515.836 522879.5853 1087275.169 1367721.083 1637984.625 570570.3885 906424.3023 2763321.992 1850548.023 1329506.64 1774090.462 1233586.415 1395198.262 2274719.395 1023188.127 2233828.808 2855098.555 765205.3312 1527777.429 1765827.176 2760496.449 1378308.105 2599958.329 3698927.3 4249253.139 685911.4116 1556952.329 2823631.961 2539865.709 824789.8605 670221.6122 1941905.189 2615844.812 754435.0142 1794918.87 2355242.864 2242878.567 729664.9366 2394501.995 3095155.529 2819280.575 2146323.828 1964265.487 3409836.487 3789540.993 1098601.634 1243503.819 1274877.68 1500701.23 933432.8149 1774477.083 2558826.762 1216370.735 1702458.288 Tryptophan betaine 72003377.76 84585092.55 64471075.5 82172470.62 106704020.4 114000801.4 109883822.8 92714091.84 37194748.33 41001458.85 34638812.21 69181282.42 81794959.61 87442315.82 83037819.19 76779799.36 54740498.32 64764567.52 51147823.57 43046972.9 80931047.19 75751997.84 70111153.2 58460470.08 304665847.6 309724953.1 345638864.6 374834296.3 164206649.6 190511125.4 125488795.2 164339860.9 109982994.2 71239716.87 83419120.06 74478843.39 76097553.44 93550031.17 80901515.28 91747379.72 28128018.31 27777455.26 23900917.62 31827878.97 106973131.7 102069379.1 114624569.9 86802070.41 70963881.57 78353324.41 65164267.11 64558058.55 24861925.01 33719355.54 22694075.57 21045623.18 77242395.51 85469535.98 78938799.49 72612049.72 8958927.719 8609723.897 6579546.773 11339637.11 19477654.25 18362705.12 20760838.84 15051537.52 55177436.15 54952551.39 58918111.5 64287174.99 112656190.3 117754022.1 114675595.3 111001409.8 gamma-Glu-Thr 17733532.7 16603613.13 16715673.89 18133266.2 19623356.54 17354336.57 17164095.6 18081450.57 17501163.18 16774782.11 19353906.23 15833732.83 16867430.32 15451473.54 16844057.39 14701379.68 16896832.02 19011659.98 17274879.09 20329637.74 17918041.41 18004505.52 18027154.72 15400065.28 17201129.79 16797200.3 15606629.97 16889438 15675705.27 14675841.36 15183450.8 16677351.78 20620453.51 18414419.14 15280333.81 17835997.09 17594217.52 16480359.5 17114634.96 15450642.34 18245957.31 17027925.84 18647767.16 19400487.64 17028805.95 17506573.44 17708873.77 15227039.95 16212017.34 15598314.54 15675446.92 15648922.92 14422118.47 18041202.06 17464594.34 17827219.21 16031139.04 18778255.44 16105632.21 15525968.41 18058929.81 18017637.76 17702767.73 17329190.66 16442616.78 15731898.07 16371903.98 14873493.68 19304138.97 15607031.76 17084689.49 18657542.64 18343904.56 17468465.74 19007914.98 17960665.2 N-Hexosyl Alanine 1678374.753 4580262.137 3647993.321 7962283.982 6239150.254 2494840.697 1385542.257 2801477.523 2283001.165 2406796.575 1078059.904 3432590.022 1947483.046 1707322.558 1519227.663 1913672.456 3075311.878 2627158.375 3335054.581 2494876.422 1810024.714 3624978.138 2646126.532 2029050.204 2446913.733 1847230.171 3876405.402 2810873.233 2415275.164 1649362.078 1678678.593 2825906.069 2605876.137 1298346.89 219325.3944 1775575.174 1602321.304 1994808.196 2545306.535 1460981.684 1339945.364 1719976.263 1106196.161 1539641.968 1707838.807 3729432.335 1670691.142 1569076.997 1596444.587 1961766.484 2174434.361 2126029.586 1190514.723 2119252.893 1358395.104 921718.6045 2903790.787 2200035.017 1859741.136 3225358.935 2102194.613 1696732.481 3280445.348 1724206.998 4115871.86 2133263.045 1626328.744 4299300.433 2323735.612 1857537.94 3910818.38 2256368.507 1567302.684 2262929.636 799501.2818 2194248.214 Phe-Ser 12592.58384 291004.5372 6650.429553 8720.357521 16252.2652 13012.28947 5438.635445 1919.340937 6467.634665 31174.65641 5071.003503 9204.940709 15655.88091 33911.64207 23246.72655 19686.18282 1919.329807 14892.60688 16098.4307 5322.106701 4796.022283 9149.988094 5412.38331 5502.646475 6282.305245 7060.175998 6339.267846 30382.88976 4888.246856 6178.039099 5745.6996 16112.6053 29807.80363 21480.3929 23160.66566 7486.970725 5052.518678 5286.657917 6409.097777 19652.35894 1919.340937 5377.03004 5693.608205 3770.539445 17480.12317 11855.44822 18579.19003 5990.806033 5352.284851 9986.517761 14571.54561 8886.937885 5859.442708 11560.27224 50246.88748 7556.401253 4343.500667 1919.340937 59177.11155 12980.69597 1916.98467 8971.82413 11993.58948 1919.340769 9203.387765 16505.92086 14406.8744 4509.190339 6220.899769 5122.788818 30626.27328 9711.540984 11374.02066 5023.648606 4570.603709 12650.38631 Ser-Phe 134999.3487 389442.5528 123054.8603 92841.78164 67871.59246 207588.5657 16865.40782 92989.54358 67247.79263 143547.724 35902.31219 100824.8984 37168.05629 70884.47727 57681.50984 90002.23035 43554.56116 202770.4653 67915.69435 91281.59005 28360.84099 60567.61437 18787.09631 47655.60004 13352.08108 108523.4373 114356.7048 87874.72896 44270.01483 188216.4296 89815.27039 126517.7145 61157.79569 40658.76289 84407.23796 95337.12438 9060.414176 90535.25299 25106.35422 97925.01093 22034.54435 48191.28602 62706.74961 78476.80019 86101.71466 55762.88044 92517.62523 76762.64203 40458.26571 51585.43102 82270.83315 41070.03902 55640.32489 66476.97184 159362.3212 66189.75971 74433.6694 126786.1634 332033.5395 54350.19785 74462.58001 75401.09812 97919.71675 50648.66118 26609.57434 38761.75164 89645.01357 38677.43986 58964.74884 109646.2287 63104.16019 84224.22006 48879.14631 50586.82603 73528.92354 12430.82244 Palmitic amide 62136483.98 33694820.89 34597565.36 31718982.08 35527572.61 27433008.7 33009506.08 30758824.63 34108428.34 29628278.82 35885415.22 59163527.69 30239157.22 27753939.72 30006033.29 52962902.68 31854060.58 132217000.9 27806814.17 38187889.81 28918694.34 54350861.85 28436917.13 33406297.48 32698936.84 26424579.51 34090920.05 29537589.23 29083946.74 30702399.15 30145629.57 32161341.45 29557642.3 30870241.75 26247659.86 30334992.65 27521823.03 34057297.81 85121648.01 33125115.11 27181412.68 31468498.97 56893538.73 26187556.95 146516266.2 32294983.14 26732539.79 43257889.02 44864912.16 31021545.77 26824345.25 32445613.69 38966279.01 27374818.56 36219768.28 29650773.96 29995702.11 26991798.77 38523832.74 33967304.41 28680600.35 30455436.46 32394781.39 31126499.73 33068497.07 93516115.22 30813288.95 33034270.49 33890241.26 58893543.52 32523147.87 25393252.29 25943400.72 33254527.36 26312930.33 31846200.11 Glycerophosphocholine 57467926.48 25416198.98 12896341.32 183869965.2 234917846.5 32458517.7 39251491.17 48367840.52 94252436.44 61973700.37 89305739.1 20834117.57 33915880.05 34381458.5 38874711.97 74188095.9 21702935.8 134115734.4 27107500.28 28384704.13 47868024.09 48212345.72 43136343.14 62349888.4 66638833.02 25617002.07 11835272.01 79677335.99 51367397.24 29633593.03 10672011.46 49397672.44 107458163 81334424.62 51766452.4 36827274.95 51266173.5 32431602.46 29145723.22 67154921.32 57968271.74 27945949.81 27675150.79 70781209.67 99828928.38 21917004.38 58158841.54 46023357.31 111161533.9 42774227.98 21400276.04 55785945.6 17446374.59 50203429.03 11456233.46 14924092.3 42779809.66 49451569 34623736.23 20625354.08 102456761.8 58757893.28 74858523.08 58325528.57 22905334.66 20730660.29 45160221.05 23093130.39 77408168.16 14586869.21 59731856.4 36580653.07 103590041.7 21547870.88 39960763.86 78788108.03 Hexenoylcarnitine(AcCa(6:1) 1598925.754 2284425.496 1778112.65 1157862.225 1590682.8 1783100.124 1227247.685 1265218.917 1143066.469 1827370.645 1713521.398 1241586.423 1338913.549 1864689.44 1271638.182 1447112.97 1864200.608 2454242.526 2496473.437 1737547.535 1599427.239 1704384.306 1616609.73 1285582.66 661726.6862 794075.1963 704171.7717 1079447.922 1049091.759 1488958.17 457321.5776 1162419.453 1500521.573 1258427.823 1090524.476 1264444.52 1344333.336 2868820.563 1314496.742 1209294.763 1301036.513 1409562.153 1002945.234 1446678.673 1689992.024 2714015.531 2036120.705 3532514.475 2165578.861 3296863.787 2174058.557 2178974.639 1386154.74 1894591.476 1461429.894 2020143.934 1710299.866 3130248.458 1724515.658 2103043.131 1623288.78 2382464.551 1649946.605 1584051.344 830490.694 1197806.718 650534.1213 979042.0483 2044537.934 2395236.648 1889112.196 1900828.297 865659.8191 1365683.292 1000518.922 2064400.573 Ile-Gln + Leu-Gln 33597.71778 195794.7296 5583.148091 38742.94413 12242.81183 15208.9635 18908.66199 24284.9377 223399.1497 14712.49913 37953.6771 42831.59745 19446.90456 17392.15299 72762.63193 22976.15714 47699.91016 75606.82081 30026.09631 35272.76231 5520.325012 16569.93086 5498.702928 23815.04688 99345.07752 92535.49331 19531.84602 56169.06076 166746.1378 77665.51801 35337.07613 18073.27102 17494.73261 34991.37599 11041.38513 48488.06937 18574.50614 42798.49851 5498.702852 78859.07169 26060.38547 16978.5728 5498.702338 20726.49347 23658.9046 19277.91499 22912.98446 39417.9904 5498.655089 5498.481881 18044.36695 27702.36232 5497.328297 27250.37577 16988.85876 17645.89482 23536.05155 15560.37473 132940.6134 17115.91715 22084.76494 20591.81659 19355.90727 45168.77424 18328.64089 16057.43782 26190.97547 18282.40542 13988.34872 26734.4605 22810.40884 61109.27157 17012.96212 18204.38678 36211.9718 17845.30998 Hexanoylcarnitine(AcCa(6:0) 17105128.76 67613575.41 36833200.91 24216660.79 6260050.795 15116029.53 8136237.688 9146115.563 14309559.61 27295289.19 42400821.03 25776894.75 17095663.98 35713259.71 7467939.194 17921935.28 15077695.12 37555497.15 13046701.16 13658227.35 21602279.58 36138454.54 17012665.32 15230413.09 15790488.72 26834198.94 13021104.51 30078336.82 26913825.29 67775894.59 17214712.59 14166455.88 14352748.77 27244762.82 3433710.67 13450701.21 15744131.17 44521866.16 20586331.79 13439730.91 10278469.23 31851901.68 9688745.167 14354993.44 14797285.8 23308854.12 20453562.81 21860130.87 28141681.49 65453717.26 19572118.29 26815769.97 10414008.67 24167693.34 7548962.146 15781669.29 21895803.07 59754341.12 35942808.02 22654804.51 15360450.45 32986666.07 18907189.23 9375356.898 12080628.17 22638991.34 8018997.62 14578777.8 19709873.76 32817714.94 34356154.33 46380798.1 19118666.29 37768605.35 18071887.59 17075700.01 Glu-Leu 32768.43738 83907.43427 44005.14841 127832.3968 42765.78029 55910.80924 47550.64061 61106.30518 95358.5417 115086.8539 20239.75312 47859.23417 52349.34769 101714.0824 4547.180772 8320.19851 50856.30239 169992.4831 38806.52034 68332.03349 130674.9211 10933.3264 71459.13393 22496.88697 62601.32182 38887.95868 201121.7873 138603.0084 5650.271641 141870.782 43702.26272 81616.3114 164621.9307 12341.43276 52177.78019 15522.2844 48596.39173 18317.69117 27547.64323 70838.45925 25985.28787 41926.91015 82787.28432 128009.1726 72341.63505 78949.44951 52169.50598 7227.080086 71681.67782 5681.989686 29570.75553 69855.15846 4865.721673 87679.89629 91844.05139 28192.06816 34457.55206 104603.334 46246.15643 44741.76349 88585.42116 7889.529852 79783.13648 22779.3636 224672.5103 27058.70091 89434.87705 173166.6722 79730.72496 55957.2239 19559.95778 59703.3485 43174.45819 13893.95021 32972.42225 17150.04417 gamma-Glu-Ile 4196358.183 6420907.428 5940438.347 4115041.821 2674706.971 2828594.672 3585211.46 1822333.866 3914741.235 4710773.215 3104943.266 3286353.45 2934222.5 4263995.397 3443818.745 2245232.723 3093930.275 4284931.229 3461046.209 2410468.544 5825031.954 5728889.028 3583600.322 2911784.892 2964573.33 2396387.569 3460257.912 3415217.932 4232140.133 4451453.986 3340913.456 3640415.623 2354671.078 1460641.268 1979853.007 1889599.403 2646547.117 4171989.617 4399078.098 2481985.56 5100706.774 4502311.819 4223811.215 3905317.002 5330158.817 8164058.637 5359323.015 2743256.661 2374997.224 4431514.542 3301092.696 2986146.806 3808247.36 4505791.734 4692695.927 2415973.542 3766307.171 4889994.785 4561479.473 3654829.652 4154714.57 3768341.874 3141604.29 2710533.978 3187212.257 4396983.382 3635153.107 2538504.929 2658670.896 2629055.19 2716811.54 4367867.272 3564737.169 4847052.918 2033398.714 4082950.817 gamma-Glu-Leu 49387091.41 62820302.66 66787609.76 44840852.23 24206179.47 27372513.51 43908701.59 21873298.38 45924663.06 45356500.37 32561068.22 41389512.28 32401605.81 42060148.1 33711722.43 26516789.21 34491620.43 43501274.95 31091810.42 26238145.11 53380344.54 50139952.78 31853426.47 32472389.52 33830245.09 26014698.86 37324743.59 36616322.24 49469715.34 43452835.26 36605384.95 42929577.16 23901087.89 17702272.22 19079739.3 21903777.43 29560442.4 36463592.02 39548638.62 27469743.81 43763650.2 36806343.52 42796647.9 38660801.3 51820965.2 69231358.11 50227038.34 30980737.46 32285400.08 49642676.59 39004023.35 38841937.57 42573869.6 41423664.01 44722086.9 30478044.97 40802674.23 42834710.58 43062675.89 40726206.87 50857988.49 39465847.82 35568936.8 34247914.95 37395639.35 38758478.22 37651731.68 33711260.53 28728082.08 29904447.04 30459139.25 44995811.17 40258975.07 43484069.98 23452904.38 35461492.91 Succinylcarnitine(AcCa(4:0-DC) 1604359.891 7788029.498 2972778.873 2029278.528 1989621.256 558082.6487 1234471.367 854607.1777 1528447.679 6811658.645 2535115.302 2103141.801 1839917.384 3944804.571 2305388.772 931032.9547 2183347.314 3363280.274 2755887.5 1097064.947 1082111.883 5010318.096 3279050.522 2057298.921 1534852.857 825884.2636 2157699.745 3444334.53 2470186.169 4981138.72 2816194.945 1271778.326 2290687.705 2738845.669 3895491.31 518468.4641 1264752.55 1906710.488 2700188.623 1917135.51 1749382.005 3737973.893 37542.5968 3174102.328 4166063.613 4037399.57 5274496.252 2527801.05 2418108.06 978915.6802 2478609.955 4593263.745 2272955.093 5514912.097 1134019 3160196.096 4032880.04 4692070.533 4738265.564 4046827.501 3279664.003 5589531.066 3591367.406 1299549.595 2354609.404 3622111.28 3808939.296 2611600.855 1225282.851 1079593.459 3801775.812 3018540.035 3968801.439 5721087.359 2683893.867 3096218.448 Hydroxyisovaleroyl carnitine(AcCa(5:0-OH) 7855049.493 19459149.71 8246402.718 7872963.498 3912021.723 6988422.562 4965518.575 3397930.428 4890764.273 7818765.393 5043700.862 4770134.743 6607910.968 10569155.83 8211619.71 5061562.493 6286900.515 8352467.445 8837813.099 6020370.801 9320671.259 12267978.26 7933461.31 6709792.343 4390186.086 4662590.06 5738741.319 6265163.144 10324111.77 16673825.56 8258022.903 10863032.47 4305458.321 3959227.959 4189060.265 3299720.628 3268818.529 8013376.803 4707656.012 3447044.841 4703789.155 4887522.663 4392603.508 4934026.298 7050394.985 10648074.21 9167952.655 5168177.32 4854188.632 7167136.576 5312629.566 5094441.473 5143300.284 9420184.305 5450592.941 5611871.28 6965557.003 12111318.72 7592123.823 6715221.715 5079910.839 7675666.43 5998020.588 4496344.497 5282469.709 7589991.115 8288829.373 5424342.419 3946847.75 6176687.363 5912923.813 7937324.721 5158790.807 6735740.769 4904212.309 4908526.167 Adenosine 21858.1276 119410.0197 14670.14291 148673.2377 116295.3517 53764.20818 17998.15727 31955.89271 65201.26174 52917.40193 56671.16903 2783.840305 11194.57187 6076.1403 20674.8545 16867.51585 2783.840305 105747.3977 8921.070956 15776.34819 24931.44219 317512.8702 21532.93897 18495.33874 7936.106526 5993.433363 5756.590771 64046.18418 28101.56148 58158.01419 19476.54376 2783.840305 74690.94289 89123.30336 5671.06428 14293.26244 7491.556741 55842.21996 13533.86239 28270.73476 8886.296448 49204.04843 38117.5595 20769.7795 29910.77572 67728.52257 11119.38374 2783.840305 7357.157969 19068.64819 8154.152087 12089.31055 18737.82044 108053.7934 38304.58996 25703.06031 5567.680609 12685.17643 102970.1363 84206.00003 20313.9515 22995.34798 55008.57163 2783.840305 22905.12224 6225.576697 2783.840305 17281.05053 32592.17221 17364.69732 51790.51991 2783.840305 2783.840305 53470.97449 74476.65674 20692.71168 L-Glutamine 57070220.37 52908066.65 62508612.85 60698238.35 61345699.98 66794150.26 78338194.54 71947983.75 73126803.04 62322540.53 63427541.3 79328863.4 72459521.23 61948405.26 73540547.41 84736793.36 77260132.29 65864358.95 73705195.29 88639533.58 83724727.01 59827882.19 66287515.5 80805234.52 81038099.79 65991275.89 77461356.86 91997520.73 72902418.74 61436128.27 60038547.32 68015660.94 82829765.33 79581536.59 71924546.19 80268529.05 69342756.08 71287192.25 85035149.78 71463528.59 68485651.57 64369490.6 67657056.49 77942968.41 66882764 68158886.35 64802392.91 77437535.85 73319834.26 71276780.34 66455447.19 77210163.14 66956416.24 60351037.69 69297832.46 71322215.56 64319640.79 68406388.36 61797956.86 70796278.07 77138828.04 71251181.95 77830442.68 73252361.28 69743407.29 48925737.52 63520345.63 61868361.49 86711747.27 68608006.16 76513508.06 62285244.88 88083527.04 82409864.21 72175612.75 89361392.74 Metoprol 6791.532706 13081.25039 4411.885004 6867.978132 3520.274002 20297.39581 8869.940018 3859.358661 4381.549099 19239.83502 2742.247743 7083.690617 18290.02317 4513.307648 10950.61799 11128.47912 3363.598723 3485.457273 6024.050909 3452.911201 11291.97074 5742.48717 3711.009123 3605.211669 4788.813934 4918.238541 3253.093455 4060.690178 33791.39406 24345.97582 5786.943537 11142.10998 6876.493221 8726.888677 18220.50227 5260.353539 8803.612143 3761.688154 3777.838296 3042.630156 3096.418177 34493.4332 3486.943679 4137.135604 30559.64831 3035.867245 13969.83379 19296.79338 221296.6399 7331.191997 3199.354591 29850.80334 3576.283521 2726.301215 3414.310044 3718.760434 3468.040609 17088.20171 4237.044477 4593.537163 3633.806812 21329.78498 14107.587 4056.148866 7093.880921 3600.621019 3070.684068 18196.06722 19801.73535 20536.61547 11319.22203 19965.88007 28433.91387 20177.05103 11083.07293 3140.518117 Glutarylcarnitine(AcCa(5:0-DC) 96217.81157 296722.8046 86966.11524 118106.1208 131447.3761 239439.3875 54231.21484 102591.4205 207875.8127 305465.8243 148991.8262 162966.3443 133503.8698 187490.5792 168136.9092 160555.4585 28290.03367 77910.47558 32417.73167 35705.12203 191448.3841 199048.9537 137410.0786 173893.2284 194337.1768 198657.4438 199564.3554 196423.295 200440.5018 403652.4677 174140.8507 229765.7849 164531.0755 118810.3405 94218.17664 78472.71256 58592.35122 159885.6602 72463.49909 69297.11166 132048.6786 214567.2559 49161.01392 119347.3322 145262.7478 179519.5801 121667.5272 124612.6866 127832.1885 228522.9427 151450.1924 160761.646 174198.0515 277418.9988 180994.9818 156187.0249 158084.5144 244982.9026 140364.4365 169102.4376 111573.7101 146303.1838 74372.89986 69719.16642 177026.2578 195330.9787 223873.9618 154479.5925 70784.11843 141454.2724 145456.5388 128372.0677 184869.4996 183337.2788 120393.2135 153283.6259 Cyclandelate 24386692.16 26168050.72 26266339.94 27010594.58 26845065.5 26025857.31 26650401.84 25620638.04 26841931.3 25674833.13 2581991.982 27053669.47 27149585.23 25167998.99 25666317.31 26902592.72 27922953.39 25955713.15 27975606.43 25277036.09 24710051.74 29324252.49 28221674.66 29564056.19 26473376.04 26340852.84 27686083.34 26979606.23 27353871.89 1476357.263 28134736.87 28112730.39 26006996.48 24687017.22 24386965.32 27418044.7 910285.7127 26282394.67 24934438.96 25129883.32 25985705.41 802224.1844 27372755.2 27464032.39 26573839.56 26274671.41 25044346.3 25776030.16 27874928.48 25737338.64 24969626.91 25717619.67 25625551.75 26095182.8 24892453.16 29356119.75 27727233.78 26313690.51 25006978.57 25679884.24 26928223.02 24816204.49 27966044.2 28127177.93 26679303.95 25498621.2 25145480.14 24442591.24 27523343.91 25259486.41 1436109.825 25164633.99 24675771 25525045.15 24709469.03 26998019.39 N-Hexosyl Proline 957487.1917 1908756.379 2378085.523 3909685.552 3204820.912 1397472.872 1353984.347 2403783.663 1231972.053 1078180.058 501400.8099 4611701.798 1510729.166 1172454.087 1379876.041 2043778.889 4102646.725 1664216.911 4998038.263 2628722.424 1206326.106 2137497.344 1123975.339 1102614.032 2263637.785 1424901.673 6575195.291 1701786.099 1026100.259 1721294.633 1487686.343 1351588.24 1283544.167 820275.4297 127348.0894 1699105.419 2018724.392 1156675.097 2257038.016 945831.1826 2072396.707 1973600.167 1632553.655 737240.392 2326096.518 4355551.835 1086694.476 1062322.409 369807.9231 1162157.401 1916782.649 1932396.868 1848236.84 1883492.353 2491092.092 748677.9639 2209949.098 2674564.774 2083908.132 5350030.565 945111.7122 578360.7298 1516627.136 1511668.798 2989337.596 1945369.997 1355250.175 8618270.268 1487193.595 1260132.165 2490718.698 4128368.049 1339617.811 2143876.178 1076106.758 1064695.824 gamma-Glu-Met 2070757.32 2608929.713 8188127.75 1695892.072 1091100.202 2923866.131 2156701.075 1313974.555 2862302.865 2039882.652 1061723.081 3025735.691 1965492.05 2001660.317 2449790.562 1787928.796 3138356.075 3014038.402 1386502.335 3089836.7 4445952.636 1205549.794 1181030.207 1798868.887 3396641.67 2698783.161 2154084.942 2205723.911 2693699.984 1853647.489 1867427.662 4759957.523 2186112.788 1481525.371 1479633.373 1101309.263 902718.3102 2753251.439 1657417.382 1427483.472 2601376.979 1423031.773 2004108.462 2319112.21 2505426.858 2058425.125 1681685.454 1614094.436 2623385.63 4898691.112 1496462.289 2220370.985 1266778.188 2037651.831 1606200.252 990740.5007 1918419.962 2071846.782 1504799.56 2043810.899 3335604.26 1914746.283 1352156.923 1248756.601 824582.8774 884904.3817 2044197.562 1298474.609 2747830.643 2192963.55 1515967.317 1672821.711 2887332.498 876378.8114 843531.4264 1645361.81 gamma-Glu-Phe 16919798.79 29782250.43 23450823.51 18151266.56 6103361.192 9486594.327 10707300.58 6436712.166 10118238.73 13625471.52 8851225.744 9070155.91 7647605.052 11221662.98 8856208.693 6825599.025 7457777.612 9830419.978 7957069.443 6177956.645 10740103.53 13243796.97 9529343.3 8611433.576 6378610.181 6131119.327 7491671.136 7679693.458 9785635.53 12984580.15 9157314.161 9284794.861 6423225.036 5406283.052 6445359.579 7672731.704 6817851.868 11325491.06 8844367.791 6671556.793 10150886.89 11555558.6 10478507.15 8803898.31 11150906.14 15722358.46 10973678.96 8025886.856 7892706.775 14541366.02 10465118.55 9228660.786 9923736.487 13082920.78 10930411.49 8487056.002 9324444.603 12004746.88 10106416.57 11081464.23 9499165.709 11292253.36 8515345.002 7738570.239 7805863.398 10629030.65 9130459.971 7884611.85 7183070.788 9808072.872 7987464.001 8652346.928 10150178.66 15052065.08 8252211.456 10108239.19 Ile-Phe 1117757.898 1419907.133 1680559.83 912101.963 515937.1002 824303.7734 717673.5507 534570.6479 596305.7559 740650.5268 547902.8934 660227.1109 550201.5908 600619.9555 970617.2621 625394.6951 515476.1609 694471.8736 700329.8332 8128.930194 660598.0621 608002.9839 843220.0282 647681.762 512813.5113 680116.4934 1283381.101 615254.0296 862293.8203 1092766.187 1148825.799 901655.3378 560546.2294 424935.0765 584758.043 563985.7768 585444.9526 594811.7199 8180.923351 503676.7137 565538.1244 486216.0116 1079661.911 561021.1669 674307.2579 867426.8425 1179720.743 676895.9173 590244.321 605005.3784 676525.9659 641196.6105 717581.1808 912254.9429 1573040.98 694921.545 760015.7812 762197.6911 1195941.119 776094.8622 638163.1742 539709.9716 911425.0521 556970.7 569897.9987 547802.9065 1073220.759 524607.9591 787911.3071 671589.5613 1001343.218 854079.599 656140.6642 566581.4352 552459.2937 579382.854 Leu-Phe 1536179.259 2467152.549 1966026.707 1417321.493 1112919.045 1525358.494 1114387.093 1037093.234 1096675.582 1271239.445 907399.3665 1197553.95 1532605.51 1630312.596 1969506.67 1772910.991 1177657.565 1885361.958 1648752.115 1644161.06 1522779.264 1727683.085 2101107.958 1828351.209 1727704.232 2810630.733 2501242.434 2192074.992 2069950.215 3244995.959 2326454.82 2277675.463 1225312.177 1330394.968 1418538.799 1383578.699 947054.642 1179630.549 1144663.633 1036911.366 1247869.502 1239131.814 1238754.808 1250174.432 1286309.546 1659028.292 1333014.163 1287231.542 1168731.28 1527768.245 1183757.977 1289126.084 1633393.355 1904701.414 1635166.261 1612468.015 1611234.855 1628686.522 1941837.323 1482949.426 1532598.396 668038.6623 1349285.848 1069102.469 1477506.594 1869677.396 2007231.978 1585576.881 1489413.812 1359751.924 1667785.101 1551325.649 1288821.512 1535096.34 1333268.709 1325487.2 N-Hexosyl Valine 1440058 6175037.357 3516410.666 17543064 6677657.288 4399457.116 6887783.675 1169857.704 3161114.827 2222874.726 1017351.024 46528246.95 7011937.761 6957728.149 2996601.193 2887981.44 11080854.56 3534896.332 17141666.27 5032232.441 9248744.528 3369282.95 3794879.599 244242.7797 422117.0487 2078737.829 855812.2991 11772433.17 2031936.547 8473127.926 1304753.332 5668195.254 17471186.98 1280915.02 882984.6622 928611.7564 1267234.948 3953499.375 9218538.221 700642.1638 9518017.171 3726821.984 3452120.636 1530317.001 8294002.484 7668348.537 4727034.387 5470088.21 2783005.674 9722204.976 3840769.82 9299067.884 3564227.97 10550937.87 6258575.859 404687.2742 15061513.75 481992.2027 13094684.43 25403321.83 2907735.174 2396206.952 3146320.535 867093.7171 47081295.98 7234238.623 6839875.698 106402628.2 514280.9918 469356.1863 10002744.81 71430787.02 744018.227 508776.977 5034166.339 409515.0628 Linoleamide 19496240.78 7263964.38 6116818.415 5860688.52 7733266.12 6233379.997 7901199.83 5779947.898 9372386.115 9993930.123 8312105.455 21194694.17 5041122.756 7526977.432 10033231.08 28164247.8 7140498.531 106938729.6 6211288.426 16646306.47 7875181.157 13241736.52 7415577.47 6606389.834 6666727.488 4623616.406 5369430.493 7881734.976 8091603.907 8568244.328 5275930.532 6815326.639 8809060.025 7516911.676 6488474.973 7075550.301 6316699.433 8449043.06 44800526.18 6397995.936 8492132.401 7700750.086 21332208.47 7287786.471 106676271.5 6748295.446 8317140.637 11860050.15 12463896.73 9842707.315 6408567.676 10629835.25 7263739.832 6858707.4 5579188.647 6398757.405 7307031.845 7604717.089 10986550.86 12069333.26 8113590.689 6941865.157 7408441.82 7125424 6771163.456 49130053.14 8401957.752 6868620.46 7916726.604 29159133.82 7487050.729 6669821.266 8114516.827 6689893.898 6216039.87 7588584.534 Asp-Phe 975599.6608 3386955.572 2427163.358 722111.3312 656696.2424 726069.1333 955217.8488 375955.356 343599.5482 2855018.285 1221959.041 492789.9548 1105760.899 3040495.379 1857899.032 662676.149 285048.0938 1181807.376 738421.6632 257928.822 1283552.772 1999767.265 2130367.47 483608.5617 529044.7377 1039768.999 1301385.691 552487.4625 443233.373 2111562.82 1014044.343 783437.6144 659215.0381 496790.6683 1022469.061 592408.7931 414817.4351 1419542.263 1183378.337 397908.9098 666625.999 765231.4643 953451.517 598614.6466 1419664.805 2157125.67 2193376.463 450994.4181 678481.5108 2014480.535 709390.8902 616780.1553 466772.8491 2661223.942 2241991.466 401220.3954 528219.7761 1007776.838 690922.7319 302410.4523 775970.8357 1992284.505 2022015.062 361210.0231 892078.5456 2495897.631 2447380.377 497201.6117 792885.3594 250202.6871 884989.5956 497033.043 638200.8425 927254.873 682865.2395 1155875.587 1-Methyladenosine 8750064.686 7052936.056 5196494.447 7969432.481 7263939.218 5392199.18 6614151.275 6446782.897 7359888.075 6590895.449 6650716.619 4355010.848 6631559.557 4866247.428 7239023.296 6510709.556 6978875.019 7858775.212 6629301.629 7268236.098 5706139.627 8167098.677 9066925.623 8013100.105 6401361.63 6064248.545 3560292.495 6852444.686 6785288.487 7213505.514 5456566.616 6935938.537 8847692.632 6998615.999 4490850.802 8471515.971 6472582.647 5119249.824 6518978.556 6211698.004 4822679.406 4274768.085 4085228.136 7249856.491 7686021.36 7948231.857 7799348.173 6481655.422 7505463.518 5454330.656 6754093.786 7917537.138 5642067.645 7055636.764 6375153.263 6725660.521 8860156.762 9226833.422 7612183.96 7998098.989 7707483.444 8649279.482 8887416.925 6959872.263 7035426.286 4966176.605 7304514.073 4567751.982 6495013.865 8022436.162 7407667.18 6935442.016 8005864.115 6855215.88 7521873.348 8354313.982 N6-Methyladenosine 492506.7268 855595.3516 377199.2474 1328128.557 1056551.051 332124.0207 278001.1853 336859.5883 699705.6324 660215.0156 553622.1794 558023.2005 320204.6625 642169.7452 398319.0606 419875.627 172939.189 961629.3386 460557.3373 219241.3244 828672.6677 523793.2298 357288.838 366246.5419 244611.8631 234196.5035 216977.9598 712598.3824 435581.6701 862891.4895 130636.502 624817.0237 1946399.384 401072.8572 687459.7717 129449.6098 3393437.371 751034.5725 219164.4022 462544.1577 727931.7669 407340.0514 367603.0563 661427.4442 979393.5644 295906.4368 718373.9727 315279.2567 883540.4215 747622.3274 225357.7336 861209.944 295820.4127 1018657.507 168529.8233 225221.1497 628163.6999 1077687.22 748542.2412 700764.9391 922297.6431 1134683.041 518540.397 479824.1297 785289.1473 287433.0988 879758.1655 612228.931 676272.5107 307518.5399 869414.8961 829332.1031 949642.769 264178.807 550914.4392 539913.5791 Oleamide 124162310.3 27900665.67 29494209 10796189.91 17125548.95 12214045.03 30575627.11 13406435.13 37700478.61 42660973.57 26176899.11 133089220.5 10492165.8 12444947.07 32347447.1 156342660.9 28972856.77 694059694.5 15050971.49 83069032.38 15400040.61 63912824.24 20931720.15 14590860.91 17280141.25 10808794.26 13501593.11 25240133.82 17977336.46 20127476.64 11125576.27 14356431.33 22071121.53 27440575.74 13489654.62 16818883.86 12913986.25 29575084.66 291325326.8 13338560.51 23086450.42 30708801.01 123654659.4 11124347.95 729153001.7 25187284.35 22277187.5 65254793.38 54939961.96 32134498.03 13841333.04 27278514.48 23265354.88 16081121.61 11663337.23 18069118.03 13399790.71 10759548.25 40221681.57 36243136.53 21584100.3 10072305.16 16225159.45 12508498.48 23427326.68 323606594.2 13917117.51 12552200.33 18997589.92 179694675.8 11924497.76 13546007.73 22530972.31 16864847.1 10477479.68 18771502.75 Octadecanamide 67197779.99 46628031.82 41941058.16 45538443.89 37337291.37 39103422.56 43367666.72 42635092.37 43392173.11 38609960.61 45442755.83 48728278.57 43001005.83 47282560.1 45356582.33 61083078.07 53917489.96 62261506.01 49276167.1 47585304.86 42641590.27 50751555.65 46220622.18 46248956.13 43858163 43607732.4 44067036.81 46607122.13 45467242.98 49018813.42 49791172.66 49101765.38 38408841.97 47556024.36 41487348.4 53301291.16 40966889.6 56867602.36 62597878.28 43368343.92 40259540.21 55545948.24 58434197.29 41430736.29 74164488.85 52767740.35 42172551.03 49019785.94 50569468.99 52911307.06 45711972.16 51128153.38 54562038.11 36934529.82 48041400.23 44710626.86 50804623.01 36372718.17 46001509.48 45215922.6 45676454.43 40891100.24 41714981.97 44900161.82 44214512.85 79057226.37 47172642.06 49807657.43 41029914.97 66789377.62 39417114.2 37615510.5 38504196.23 47836151.02 40858691.51 47164724.33 Clenbuterol-D9 441062214.3 447443730.6 428466604 453743345.3 450598758.1 456268969.7 449848974.3 432545235.5 462367332.3 452311460.7 444868092.6 448443935.6 459717835.8 454077700.3 450989833.2 458794834.8 451792893.9 462716159.1 436624221.1 426013796.4 470117250 446563462.7 441426178 443323759.3 433158862.4 422942840.7 439138291.1 466026068.7 450253654.5 473823356.7 420650238.1 480248921.4 463535833.6 441914823.4 470361307.4 431278546 439413757.3 471319073.5 448283025.7 461155394.8 462426297.1 443629017 433221426.7 467854173.3 461743466.2 436271518.4 458358255.2 444961246.1 480617657.6 472867567.2 437089868.1 478915863.9 442103325.7 482242962.4 429166584.4 439046692.2 476425272.6 473950277.5 458954112.6 475553680.3 479548839.3 472671399.5 443997084.3 451508050.2 440846009.8 434057067.1 473887618 451744516.3 451594329.2 447203106.6 457403793.6 473927816.8 489954174.2 439089140.9 458616898.7 451964894 Octenoylcarnitine(AcCa(8:1) 196461504.5 232321738 303594320.9 154335111.8 60347714.43 95615000.92 91949878.58 86352686.08 151115309.3 189204558.7 153395755 165159021.2 138925460.9 149374704.1 153878781.4 139911934.3 124721305.8 135131732.2 223302780.7 127121515.3 156287187 188588415.9 181309020.2 122723153 64137656.16 72705778.76 83754358.99 101800094.5 179471737.4 203101660.1 159275686.6 130126231.1 190398971.9 194656824.2 196766865.6 126958136.5 179077924.6 195769717.5 189049151.7 150349163.4 87613052.59 101910882 109626304.5 71286775.76 156736291.1 250144474.1 232443432.7 259759693.2 264462915.3 321458766.6 357821678.2 298272093.9 227144793.8 300102739.6 276239766.3 249784065.1 185307077.7 284343637.9 245533988.2 192284545.5 178787628.6 213413488.3 231821473.2 139829155.9 67901852.34 100876975.4 90516115.67 104630064.8 227477832.8 307566240.2 261465062.2 195743779.3 120582998.1 167102740.6 185679833.5 188136819.2 Octanoylcarnitine(AcCa(8:0) 97419374.93 352966898.7 150850090 103754721.9 31187852.01 65068606.7 38904224.14 54267255.66 44362534.61 90770035.27 125524082.6 114657678.7 74287575.53 132813340.9 30700498.77 89756824.87 86213101.03 147188662 54210830.24 58138854.26 86028059.32 108724669.8 54915214.4 54382373.2 52052079.51 80135307.41 41416831.07 92740200.19 124806406.3 215137042.3 75356501.65 60841155.25 78981697.11 124431379.6 19193249.18 75471866.08 59811341.63 118167400.6 77595633.28 41318161.66 34773081.85 110362499.3 31049711.24 64784270.99 57785842.63 86595617.29 74735097.24 98538592.11 211630502.9 359265213.4 100037588 192803272.1 44215303 104859948.2 31303541.57 64791687.95 90104390.09 187683783.5 123683838.7 91053029.1 118760228 138845289.9 104860146.1 57379861.41 40555924.67 53212570.89 22047278.43 49181368.37 128254069.7 125600521.1 177891320.6 262190564 84834458.13 110185088.4 58904175.46 58043974.18 Methylglutarylcarnitine(AcCa(iso6:0-DC) 1271332.054 3809940.902 1967069.636 2056221.973 1008204.04 1611927.295 841880.5574 688252.4555 756205.7814 1472327.54 943905.7565 760661.6195 1381123.377 3052804.634 3301330.035 1685435.785 2555152.89 2815646.816 2827894.451 1398366.204 2490003.194 3069889.977 2461155.027 492403.516 1306922.204 1435072.181 1756257.769 4794841.782 2997860.624 4368577.784 1621515.57 1049817.674 1738436.477 1081626.034 1616655.932 2542359.336 826607.8109 2242651.205 1658649.871 672835.6071 2228352.176 2621348.002 2446133.43 1955286.215 1270030.05 2912818.868 2589472.654 1647977.655 1511259.777 2342492.23 1780974.342 1551493.037 736150.9093 1415486.541 871304.1139 861587.5262 1055369.632 2595198.647 1965065.699 1319949.019 1790786.584 2778391.319 4075374.605 1531844.738 514954.4395 766283.6529 1067930.175 766111.7601 1314491.5 1506196.652 2150665.248 3361276.44 2708163.286 4721674.872 4605501.621 2208366.089 Adipoylcarnitine(AcCa(6:0-DC) 949096.7214 2619104.281 1031699.833 924124.9989 951857.7576 1667156.302 939247.799 596011.9479 1378402.412 2322236.264 1316308.577 800942.1685 386666.7065 682019.2848 515685.9737 437438.1908 287015.7605 441074.2199 251779.1133 277821.5542 644363.1026 794037.7501 540016.9996 668951.8069 302215.3473 493287.372 446876.5399 820683.3036 766880.0874 1483009.074 637410.1301 638413.2107 1046924.208 449279.539 826023.7858 440589.1573 274072.9849 589464.5729 313120.525 279302.9299 514709.6342 335032.8707 414798.4289 435351.9505 737231.6079 1011261.435 831290.8575 383339.4918 985730.1261 1727176.979 795508.1249 765461.5053 574227.6307 1095694.343 562058.3778 434703.8594 1168612.835 2394802.6 1166197.222 872461.7379 1088341.694 1694420.701 1212341.049 676218.0202 719871.7711 1181170.135 1177285.65 474902.3439 407986.3006 397869.1273 408951.5934 435942.0331 955102.8011 1246305.312 844063.9346 675983.5679 N-Hexosyl Isoleucine 44155330.28 54532616.92 121944251 184659455.5 71310953.09 24423089.45 36087902.68 48999802.12 73010173.4 57283581.51 20739720.94 295355113.5 44546650.47 79692319.43 91421794.73 46210816.9 80016501.2 51699292.45 148945223.3 69109975.87 102985311.4 106305036.6 79953946.45 39575426.32 22833221.17 27038844.77 136477389.9 183917200.1 51921742.29 75936362.34 63606360.33 47481144.37 140003240.8 35233806.46 19576653.48 32111262.07 26320833.28 63490175.33 167094602.4 46410323.23 105973537.3 41385612.37 66827492.94 63526511.46 80528974.45 84567586.37 83968930.13 64428918.44 51263106.98 71404974.18 65116750.66 121680473.8 39200830.03 103372884 106023046.5 48981585.68 133509609.6 70716880.56 119237277.4 259310718.1 82521213.56 52789061.84 86421011.79 41235580.46 324040449.9 56710022.63 150407952.7 478966524.7 47803572.79 25122374.84 137667568.2 377731322.3 56025326.96 30513973.09 37496450.49 52030964.94 Creatinine 602684795.5 890975302.5 770906243.8 543801452.3 470282690.8 648189654.8 546502008.5 405472052.9 394310475.1 574702844.6 437098692.9 469644050.5 397091463.1 503160045.1 395427547.9 361803154.3 417944968.5 399189072.8 358268447.7 296263870.1 468978329.7 510612237.7 470294267.8 398154168.8 292943910.9 344256847.3 322775964.1 295780878.3 413581463.6 602830039.6 472443563.7 414888887.3 496926276 476107349.6 598097868.4 486052356 303632362.9 480593904.3 362651111.7 301775913.2 522913085.4 664862157.7 532283781.3 492230295.1 550642233.4 639453641.8 632843423.1 498156631.3 512597468 718102106.8 553520661.1 492445629 417419893.1 504083095.3 500266276.5 377728090.5 501660133.8 657445737.6 544086719.4 444531854.7 498407979 655651050.2 522238958.6 444981269.2 338644185.5 421024200.6 411392743.8 343641903.7 446933289 489792492.4 460905552.9 461627064.8 442567572.7 584575351.3 482843444.2 369049491.4 Phe-Glu 246007.0317 336652.6575 273136.8881 173799.4328 143066.7738 209967.1957 104200.6115 145897.2973 90222.55496 270667.6649 151673.0266 169460.9558 163664.7324 300886.9789 317700.6334 216482.7795 189620.715 398009.7594 287263.2714 139590.7392 249635.7656 222822.3818 247512.9883 194528.7152 274377.0599 281933.9399 408650.8632 278727.9078 184157.5713 392111.2286 134945.6377 247119.2117 277912.9524 182982.3307 243077.0143 206677.1436 145946.0119 318397.8612 188580.4545 165786.0633 183307.0949 214990.8928 171080.9752 208597.3124 233127.9566 187041.7869 187900.1924 173060.773 171866.2591 189963.0087 124279.1431 153146.2112 213862.8109 370387.5445 308080.5072 27091.04527 273218.8669 197562.3502 408233.7441 205043.6726 234113.8216 198296.9951 269750.219 210040.2676 210451.2849 214138.3866 276672.7589 193955.3202 170715.663 160799.2444 273169.3645 178852.7828 298638.0249 233352.8906 211975.6539 182580.9809 Glu-Phe 22779.92822 265115.4557 111303.104 65356.95168 54717.99604 140210.0269 22055.19795 48070.13969 57979.44445 114176.2481 50004.27607 82522.60162 43178.45819 75324.3603 74345.83215 22643.11184 89085.89833 135280.6714 83455.18605 93167.48534 48981.35043 41397.86233 22404.17299 20721.734 24437.58762 79844.25758 80856.83789 54223.90424 16937.14753 86826.85093 51608.03401 24837.59124 162423.8526 37964.41747 59723.32663 53772.19186 13358.43465 22824.54226 36284.10206 46502.43323 13719.22863 74427.1224 32095.61715 52977.69699 42710.60856 46296.48379 44195.95252 6435.327244 45103.80182 44710.65741 54251.36714 19666.85973 11738.18855 43814.54858 150739.9315 30065.89647 54098.99753 77080.17058 210155.917 44740.00371 36457.6011 32740.65444 71091.97515 44774.64936 137005.811 19399.1755 78059.73432 58526.67897 14934.79736 72613.80958 83341.00736 69298.49079 34417.25239 6225.024081 42133.41931 4052.937571 5'-Methylthioadenosine 2230529.647 4112089.384 3218958.731 1497315.275 1728659.345 3484277.635 2363463.334 1671871.933 3106933.209 5531917.492 2680427.401 2934487.637 3524840.983 3665247.305 3233476.737 3062005.608 2837650.847 3373447.93 2622252.825 2118390.991 3130610.449 3296015.917 2298119.414 2319908.266 2109214.452 2313109.672 2279378.527 2749214.646 3507376.153 5103942.743 2824483.249 4192487.73 1998772.89 2357406.333 3024964.411 1672838.005 1599387.59 3845399.659 2376812.405 2037634.163 2981509.828 2607043.292 1902271.193 2392746.217 2873815.992 4370590.518 3887644.274 2348987.458 3413641.498 5673357.599 3224529.575 3986242.607 2234556.346 4598835.585 2410186.136 1790612.26 3244778.067 5695562.978 3690682.55 3258962.203 3119375.163 4651520.91 3239388.993 2463321.568 1491831.971 2959152.088 3507429.127 3323231.655 2170267.348 3176983.797 2439860.661 2847191.722 3436248.533 3575790.75 3077645.258 4070233.789 1-Methylguanosine 331244.1453 161638.127 133787.7812 808072.2346 691714.7098 741941.455 590886.898 697885.9347 709038.3148 874407.0134 698840.4247 661032.4053 716755.2674 231097.3568 290106.5635 146188.007 604722.8349 604997.6543 511478.5687 287825.2765 1089129.845 464557.0595 341327.6328 463474.0875 413448.929 375940.2009 453642.4901 936658.0834 475188.2597 960493.6385 57322.11574 257360.2608 1306460.114 1494075.014 870101.8525 318278.1515 1050058.577 399560.0005 1157653.074 677731.2133 402369.7449 261050.3341 101623.5042 290464.0649 792218.6742 1011985.795 518952.589 426213.1227 683587.6354 498745.2721 601920.8639 576452.3955 158375.5451 922347.0078 498190.3001 241749.5462 368843.8661 1589584.943 500114.5479 665847.3466 855104.5939 382579.3799 920296.9371 636229.4838 1186719.533 490323.5135 420650.0262 698979.0433 157593.0575 650414.2652 170601.882 814617.9712 727760.757 306239.7883 728360.6233 173166.306 2-Methylguanosine 62978.05718 227137.5025 180135.6659 349568.3669 80459.2201 733808.6513 8454.686253 280385.8205 413501.0243 646565.5653 107293.8615 100572.4141 91748.7187 601134.8982 195173.0514 62241.94131 89167.2341 270176.4936 38637.48713 64694.46197 161807.5732 277019.0338 242817.4879 226532.6331 47941.55413 217296.2135 194834.9757 486416.4097 239803.8719 262088.7545 5140.054355 178205.9283 247190.7503 353590.0112 71109.51804 106802.0275 293517.594 202082.6479 254096.9432 112470.2381 242715.993 221452.6576 119429.1955 128339.3061 346440.9674 278213.9404 49646.83416 297664.8668 398712.1209 293283.9204 173067.7441 326153.7224 231636.5528 732410.7129 252681.3091 167634.2219 125920.5256 481671.2432 320772.2783 247916.8023 155288.5022 652313.7833 34738.93477 75087.53384 99379.52711 251842.1739 403905.4525 139788.5118 138895.0908 154811.657 416943.8999 119012.8874 154199.768 249055.6107 147062.7898 159584.7603 L-Arginine 73976837.46 48043575.26 87067614.78 60635867.13 54156011.16 57408923.95 120145406 95972625.34 132323651.4 67343578.36 53653474.86 126592862.9 156562374.1 120752798.1 186253678.8 153966153.6 106385338.7 77593887.83 116035325.2 151407925.6 110344671 66221518.7 101257622.4 130632936.3 155132993.3 103503789.4 215271549.8 163455255.6 108587531.7 69385564.28 119057274.4 127737269 121098474.6 111704098.3 80928691.55 105590745 114674625.1 93132506.84 161707215 116195780.1 112795132.1 80607170.2 158142042.9 126688069.6 101761244.5 86206120.11 87830197.37 75181525.46 80727015.89 59438656.67 87549055.86 100503388.9 121252333.5 76012549.69 178056095 100346344.2 94326200.63 72583813.75 90982372 118965391.8 107922714.5 67702235.77 114968016 104523063.2 110792113.6 50887086.57 101952853 88114555.56 100533158.1 74513915.38 80926719.51 67718536.93 99553156.08 71987750.71 60485987.44 109311248 Sphingosine 6281805.224 19700339.63 10379347.65 5626795.073 4932410.953 7780701.035 3338174.653 2788291.709 5007957.041 9667125.407 5942736.575 4825487.074 2970514.989 6737539.384 3705001.459 3788021.197 4278935.14 9811101.282 3876834.398 5677574.248 3839156.067 7080932.929 4282994.578 3967417.636 3222042.901 6068024.211 4093571.741 4567735.55 3944997.764 6756226.176 5244604.489 4930050.516 2597152.214 3973017.674 3037613.901 4668683.716 2856771.383 6449003.895 3312992.83 4038292.894 4341040.815 13699403.26 5314315.058 3719182.462 3784543.196 6708411.885 4164314.688 3185369.05 2812574.465 5202676.545 3949206.056 2297465.362 3895366.769 4949609.781 7500744.314 2986746.406 5546273.987 10489495.01 16550255.31 3744268.806 3836222.668 4872249.891 8662475.201 2846521.656 3738530.861 3819953.03 3777083.424 2827785.132 4231305.786 6251889.745 7209606.622 2595604.487 3631951.208 4969475.437 6068056.646 3177727.01 Nonanoylcarnitine(AcCa(9:0) 18055464.34 56330486.39 10240111.85 14482842.6 4115169.799 9055928.948 3722194.484 5394568.201 21746809.48 63332210.21 29500393.71 25263251.65 10082481.56 30463916.62 5601563.152 10850669.43 21152214.19 32282718.84 9896132.903 7308605.075 21488145.12 36438550.82 8224870.606 14048177.15 6670077.655 15375926.94 3930606.377 7758404.18 11290438.52 34239563.7 10214584.8 10087646.77 9587130.598 16706089.61 3769046.359 8093962.425 9575934.712 30419307.6 7705143.139 5559599.219 6235946.778 26491068.23 5992548.631 7983843.545 27005882.22 59030093.67 15475484.93 18531441.49 19107802.51 67025625.46 7247538.508 14596669.58 11513386.77 38128284.63 5880283.949 9856686.1 23786902.27 55101763.57 17370765.54 14603475.93 26900032.4 50503296 14734792.06 16429613.49 12299440.4 26179372.42 5944653.926 10559243.11 29093994.16 50672261.84 18304599.79 28388443.28 30880809.79 26667407.27 21705773.87 8935449.316 Sphinganine 2619835.145 9925869.964 4717240.144 2103178.733 2950216.233 5070487.281 2068095.495 1637747.382 2295392.383 6913878.908 3387247.055 1988317.682 1048062.382 2376468.418 1678107.29 1279080.48 1427320.744 3771387.751 1267556.367 2015251.484 2120442.248 4263199.174 2423978.661 1698336.255 1935802.464 3603932.709 2178546.346 2088114.545 1718319.364 3519493.114 2223032.707 1791125.974 1371198.492 2977059.909 1345166.032 2522944.861 1197510.172 3711660.404 1360525.863 1621508.071 1348379.109 6354905.575 2036141.911 1529288.124 1409281.76 4400691.102 1724979.085 1262092.621 1079502.614 3077650.106 1756511.492 1012167.808 1119383.808 2692346.867 2862851.082 1206340.901 2106272.668 7607753.714 7235591.868 1397565.753 1737119.064 2841087.705 4396614.535 1127704.841 1607304.554 2114548.765 1585868.532 799226.9186 2218888.5 3298827.835 4014974.347 884821.8245 1387509.756 2685423.996 2230659.856 1284581.197 N-Hexosyl Glutamine 671617.7852 23021.44922 1441618.027 1977161.456 650359.5665 261953.676 126871.1393 637041.3909 1132858.464 933469.3242 167523.4677 227213.6195 238393.5194 105270.658 965384.1991 730832.0772 656049.0998 1034671.282 871775.5181 1097223.487 3100395.825 1526924.314 538313.6282 23021.44922 115698.7882 197005.2592 119976.3313 3003775.956 264784.3643 348034.5559 23021.44922 268951.6909 6737299.323 1495289.967 199786.0087 23017.08482 465502.1569 917281.3643 2142601.576 220400.6956 1474012.983 348081.0713 165145.9023 314908.6032 46042.89503 841657.6321 551655.9576 173952.0579 1688012.386 249967.4385 772118.0465 899499.0143 54379.3939 3200464.207 566686.9272 427741.8831 49960.95807 704705.8088 449135.8147 906102.5688 449909.8873 211493.2746 1316501.185 428231.8996 3982952.098 502278.2768 186018.7127 5205999.998 1651285.183 279469.582 2807668.089 3427360.11 376590.589 22990.88165 271993.73 23020.32157 N-Hexosyl Lysine 2119207.479 1316290.91 4907602.383 4476943.276 1665071.218 576230.6049 565950.573 1366048.568 1718231.61 828865.4036 1187285.801 2621513.627 1682131.226 1772356.423 1364822.318 1739811.931 2360598.482 1282600.535 3787493.007 1324666.478 1318216.453 1586167.582 950852.4329 1364085.039 1188988.631 1011957.7 4116267.623 2301305.742 666738.9748 695422.0083 1013296.801 1263505.851 1559880.371 1049525.431 477191.3842 1519350.963 1386685.641 1670335.741 3402880.559 1265527.953 1320372.937 989217.1007 1797631.878 639824.1443 1706143.741 1749346.39 1478541.911 1832617.195 1255893.695 1338984.077 555235.8026 1350168.496 788563.8633 1545601.204 3113974.519 932921.0983 1405926.852 1661752.143 1263083.945 1712944.103 1464585.605 1338009.276 1463860.334 1512858.223 2332548.03 2045239.094 1694961.923 3847295.602 686124.705 623863.6617 768518.1352 1518197.765 869876.4369 508115.3282 377744.6095 944969.3044 gamma-Glu-Tyr 8215604.919 14518017.21 8750569.604 7672933.612 3392629.676 4695684.392 5291152.595 3081658.868 7044260.91 9194560.234 5500993.864 5796305.621 4883054.47 8421256.299 6041379.498 4824538.803 4444001.341 7837110.386 4295996.645 3790849.738 6110493.302 7288771.304 4341452.053 5587280.3 5290026.587 5211827.21 5524816.467 6209043.427 5654287.932 7403378.254 5617491.071 5954025.191 4185579.584 3480975.359 3370303.315 2922774.533 4259999.086 7788580.895 5602880.194 4455871.335 6729372.055 6658689.593 5356596.675 4872790.872 6757840.459 9362700.472 5867875.426 3321209.801 4080737.485 7008658.606 5323014.316 5360116.579 7388555.869 9564825.939 6479186.268 5142101.446 6800987.467 8926619.432 7191134.897 7101341.05 7822616.875 7476104.664 5089902.232 5702794.991 4169295.315 5581843.03 4895658.817 4003147.008 3662003.486 4901383.87 4534725.511 4420251.152 6716468.881 9254713.915 4525129.97 6388134.699 N2,N2-Dimethylguanosine 2191314.607 4294230.9 1800577.629 2252536.298 1605368.677 2261233.724 979356.3006 1297046.433 1815597.098 2457978.375 1583347.162 1436094.382 1537636.784 2829824.007 1944655.989 1863834.668 1203129.411 2300724.648 1182335.188 1073168.032 2625122.226 2727292.358 2218058.775 1242224.766 991544.8971 1185160.384 947000.6711 2263702.759 1858461.584 3240736.198 1060516.063 1874327.033 2587661.847 1543605.001 1709691.33 1259357.931 1493851.022 2987732.475 1646810.642 1535505.176 1866503.597 2196121.972 1436035.628 2112558.783 2220371.922 2898415.036 2694504.225 2316527.78 1971983.416 3083698.383 1593727.142 1738455.094 1476868.422 2838032.249 765398.1912 1299066.286 2494127.512 4028530.544 2315549.653 2201655.097 2028562.946 2841758.938 1448549.161 1395397.798 1435790.965 1761804.709 2025813.14 1676862.76 1417716.875 1235694.502 1606043.41 1858609.416 1759803.636 1897591.953 1985121.701 1642638.567 alpha-Aminobutyric acid 22860364.89 21744517.59 24451534.08 24672683.39 97553593.45 71913779.59 60989852.04 73361940.35 23783344.05 24076104.24 22098858.96 25703223.74 25945409.92 26741142.9 28318672.12 30663802.06 20834274.13 21306339.1 21244781.42 17019345.95 29836669.45 28409076.8 21866962.99 21107457.39 26888990.37 25389657.85 25748018.42 29384634.73 34962456.38 29533867.05 24884355.34 18514500.72 19784683.7 22092610.99 17593968.59 17944750.12 19975970.55 20455012.96 21925981.58 15253090.21 17140366.14 13215088.09 15129882.77 16476694.44 20979388.88 19036122.44 19374071.11 25098744.09 20499829.49 15420838.66 17410697.68 21609316.9 12721220.55 13708314.34 13608207.42 15439697.42 19975508.46 20305429.63 24707924.08 17112468.68 21263804.39 18865435.35 22896536.3 15581862.74 19412283.23 15695976.29 16080991.2 19903203.53 21994446.71 15495821.06 19552222.38 19427394.02 29541358.09 30343933.54 30667259.94 25187209.46 Uracil 40385616.3 64476830.76 22565841.03 41896576.51 29654726.41 23621687.46 14641316.21 29203587.34 19043365.62 24073098.1 17165881.62 26306329.9 24728199.83 16843100.22 13349099.31 20792818.18 19714881.03 16043657.08 13920807.84 20299793.07 22234436.75 20994434.33 24369755.29 24228644.66 12611735.58 12576755.85 9416780.588 24880368.36 23696791.95 31258778.51 9774261.658 34685164.85 25404599.33 23712625.75 11541485.9 23435226.13 14978691.58 22078110.79 12552814.69 24297596.15 12375273.15 14234665.85 10121754.51 19665289.62 16236446.42 10821076.37 11126762.29 26377515.02 19608318.82 21178200.92 12767451.5 17273776.12 15722108.2 14436590.73 9590268.424 20384808.73 19093932.71 22304997.24 16808534.34 24450109.3 17462186.37 22269826.82 18071848.92 18715941.05 18251019.77 19320208.12 18135304.64 23644024.31 25381557.34 26756434.6 23827845.67 30386695.67 15900474.36 15991131.09 23370378.61 17805174.33 Decenoylcarnitine(AcCa(10:1) 160355863.9 484305497.9 255611602 147843467.3 60032946.33 123433714.3 71568275.06 83468021.38 62258270.9 132842098.4 154352955.1 167298582.6 95491036.64 152907870.9 43114362.09 128567595.3 124084800.4 194335913.2 117053811 95260406.33 123664020.7 148795265.9 77838824.23 86436135.89 62728795.34 104121223.1 52133294.97 101797373.9 160669966.4 282543482.1 98857251.09 97985391.82 149100921.8 226087768.9 62900225.18 127261780.1 91033242.54 184752281.9 124041781.7 61892000.55 65327201.07 172644773.8 58003043.52 96629542.28 110411459.2 182151740.5 125258224.6 227095820.9 265273898.7 456480056.6 150815993.5 253455494.1 81603396.86 174762728 77993952.34 132219831.7 151890670.6 273461026.9 211120070.3 136842251.2 143596641.3 164955253.2 146448647.6 88209956.88 66388332.56 89322304.96 34286894.33 81534022.19 193948233.8 203886050.6 240290304.2 248158760.3 134205568.3 165599410.4 124077989 143350205.9 Decanoylcarnitine(AcCa(10:0) 179554443.3 711549187.6 291816087.9 205047929.1 58759762.93 113005758.3 75859104.98 98160932.88 80181890.82 167853833.2 251485749.7 206311555.6 121890684.4 221399581.2 50269822.68 154671651.6 166713885.4 250227862.6 99329025.24 103346374 138883913.2 167155719.7 83239720.01 91293392.87 112212180.9 145964497 97543659.43 175095866.3 266718445.2 364578436.1 189782582.3 126584284.5 127963103.2 215983483.9 29909987.81 129275550.5 137373806.7 226519786.3 161783258.2 85234887.45 65901861.12 192502807.2 57963076.42 107672200.5 111442533.5 154804586.7 161144231.7 181496192.5 328982410.5 572654666.8 176924548.1 347770947.6 85126126.88 178820238.3 56206139.73 123260665 164938736.2 308405016.2 212219219.4 156992719.2 221067524.8 237834717.5 187157469.2 110619839.1 85949302.27 99117253.43 49540638.94 99063508.95 184273219.3 193438006.8 286148802.3 523111411.3 180811974.2 208912230.7 107569671.9 93907849.01 Xanthine 13011076.88 57085550.8 14657211.67 16461038.29 9575194.574 44113419.94 6882563.748 13607691.34 12027305.04 29568885.05 9234542.278 9653436.606 10729836.13 23581573.52 6267534.348 10039757.51 6530036.218 13189279.34 4636710.072 6956747.6 13038730.52 27210752.56 9859871.537 12931261.65 7980186.553 11454942.74 4735973.657 12624796.4 10515542.36 35049362.96 4346821.918 9943975.509 15075021.89 27604178.24 6070236.594 17619211.85 10321168.95 29572091.89 5184213.585 11046986.24 7293825.034 21501431.69 5590910.697 8180707.054 5094585.804 15332471.62 4773251.289 13603609.79 10757395.58 29953318.96 5918290.773 8375132.186 8289689.608 21712937.38 6313977.71 12787204.91 11318268.91 27497578.93 10691397.49 11130522.03 8532528.545 28789181.25 7181358.016 5077411.747 12587321.95 25129171.93 8924716.948 15468694.34 13835509.75 32777510.47 12219834.81 12948902.21 12597423.73 28324987.34 13914321.08 9750209.617 Phytosphingosine 206580.8962 213873.3561 186791.5664 275903.6268 44860.34428 42302.89028 217402.1893 183184.5375 185598.5802 193978.5565 119891.1048 155382.9461 131497.1565 199678.8251 188722.3996 171026.1032 205098.2831 250124.2148 147974.4014 155135.3263 223971.6335 170494.6439 173337.8899 152917.7754 246803.7857 147628.5357 166515.8133 186073.7697 56745.04108 165301.7766 194838.7096 255545.6679 200891.8615 177934.3956 154737.33 139147.3059 141090.1692 201575.573 155314.7463 33963.01436 63320.50042 186524.8991 194311.3897 235146.6061 252469.0407 116703.1249 182651.1993 130974.8491 223224.765 195283.824 35950.99055 189451.2239 5741.371487 50391.13671 45987.11242 99279.51103 21697.31149 206520.9519 231237.8219 263463.4874 226992.1944 178450.688 170482.7431 200057.7737 168454.6665 155160.389 214032.7551 201898.381 188015.6304 26159.48098 190574.0345 30179.54378 48222.70844 19851.69167 191833.1863 159857.1457 Linoleoylethanolamide 1233688.906 1628533.843 1242597.228 1288615.366 978198.0553 917107.3583 507282.6476 871581.6674 724714.3945 931728.1419 1020374.14 688442.8948 773886.0807 1003668.919 811955.8757 885069.2445 750870.9089 1234264.768 428784.6571 468814.9148 1065121.754 1160787.836 948687.3887 785144.1158 625773.6208 828755.9016 501320.6729 1046334.212 831399.2877 1317585.33 516263.9936 903018.4122 974860.4375 1252179.908 493412.3421 728224.3819 908115.1333 1022750.669 917684.7753 709895.0893 622576.0359 1279937.645 871850.6514 823911.1233 696598.0119 938627.0624 656652.6136 706494.786 913366.8694 1568383.18 941047.7638 828093.9076 992192.2748 1540580.101 822945.9369 1075957.535 817109.8911 1325262.959 1145288.217 956139.3572 952094.5476 1454629.146 899492.4599 609628.5369 732061.5863 912904.7515 671508.9584 570020.3926 1363317.971 1013502.456 1331305.528 888582.06 1068398.655 1824403.552 946359.0718 1264362.337 N-Hexosyl Phenylalanine 12206201.34 28511025.03 29437271.41 38580982.71 12628799.86 13878519.56 10775248.02 14351146.3 12053973.29 15867094.63 7932014.514 33663659.9 11418197.34 14995126.18 18740215.5 11499181.53 11725058.92 8680350.309 18745184.44 12116686.58 23768631.25 22349307.75 13025685.1 6430581.992 3704345.37 4378541.507 17425299.31 20844558.49 8519917.15 18577500.97 9908826.892 12493178.21 24328465.33 8554942.324 6296832.088 10123260.64 8083514.294 21455936.24 23644743.68 9601221.279 15454633.77 13364288.92 13281008.67 10292371.74 11714685.92 17571605.33 12063157.39 11199341.6 10173450.26 18588971.66 11631466.96 20633911.29 8295564.081 26512933.28 12390600.12 10729258.32 18056515.08 19861484.85 17159601.69 50888836.85 16814222.87 14145737.54 18494779.46 9343217.258 42608310.24 13745077.22 21009913.97 77099154.28 12790631.72 13850601.08 27939289.92 59532964.21 13785597.91 15418504.96 11055914.53 8911017.534 Stearoylethanolamide 1304594.961 1562021.397 1216706.864 1125179.852 1041756.83 716061.4629 874938.8645 790321.2551 821040.7795 1014854.355 1088605.988 926613.8298 1095463.058 783225.5524 1030426.505 815871.6162 603061.0776 954797.2838 687794.2253 1007361.296 1055897.304 970702.1089 776600.8374 832699.617 968209.4752 777855.6332 959561.5029 794282.3837 1024473.996 1320157.474 779312.1999 1182834.331 864839.9668 1144477.65 889322.9002 1038072.741 706889.5988 1252551.941 1152518.438 939854.2605 1083484.401 1453898.921 824648.6766 915121.1821 1162433.317 943431.8218 659718.108 1051238.088 1248708.324 1160831.187 901802.0562 851687.9451 1049362.916 1132826.082 1068446.898 548222.0739 667434.8331 781103.0518 1004488.31 767025.2088 1231779.504 1196870.005 1129445.163 877638.2163 1107429.973 1094938.203 892487.0002 881780.0428 1300089.733 1102254.181 991296.4092 754798.4589 1219456.801 1319347.376 1056321.054 1089869.123 Undecanoylcarnitine(AcCa(11:0) 23374450.8 73333450.4 13684566.47 17300777.95 3206575.409 9354059.335 4104862.269 4693962.55 26476521.53 65115985.51 41329826.45 38238719.4 9353920.661 22018856.87 3977683.748 11082898.86 23430249.72 30169929.33 10319561.3 9245371.526 23739399.72 28938697.47 7912657.675 17099217.79 7010941.39 13653731.37 3041645.041 9304285.386 8529194.359 22066418.34 7831070.802 7807973.252 9874367.043 13136544.82 2477742.176 6755900.112 8341085.186 26984491.97 7784842.049 5312633.567 5869184.503 23770163.12 5001025.864 10756930.41 30208106.49 61531609.87 12736809.35 25501152.63 21408122.77 62563839.51 6905166.212 16636139.81 13310425.1 35299770.94 5158177.636 12972850.62 25029833.75 42973988.01 22495823 17025700.67 31100276.19 42461425.88 14367925.43 14004181.17 14494604.01 23306461.68 7437596.831 13679777.5 36802415.13 53944246.4 24801193.27 36487369.21 45543854.71 26421054.01 39398692.09 11243789.32 His-Trp 47378.61083 165368.8658 29533.20092 8882.238145 2112.564842 61232.55367 16409.34527 6299.278572 30209.41304 89195.20488 35551.75496 45030.23437 4303.1596 45293.27745 9765.683497 19606.91099 8797.499432 90654.79382 2204.188609 48583.46786 10008.00017 5752.999668 2142.270371 6316.912012 10912.37098 21942.20249 24813.01192 36576.0279 2112.337672 45980.37091 18143.85698 29147.20389 12734.17871 15198.12395 27093.19518 26887.89128 2112.562935 31160.74437 13306.07682 18218.06488 11212.94347 21473.69246 20324.67445 37894.6897 24452.77858 23834.46484 9895.58256 2113.288966 8417.462431 36184.81273 21865.52066 14031.45223 25274.72892 41436.46649 69212.39858 15009.37356 17041.02901 76555.86651 102744.0597 5526.764625 9103.135836 35486.52341 58323.7255 15961.58971 2112.564644 13783.11148 48586.568 12353.64212 5620.296433 17182.53655 59588.02657 23812.51872 2122.065605 5881.656338 14340.2205 5613.68243 Dodecenoylcarnitine(AcCa(12:1) 34280872.29 190213043.5 74482222.45 40623094.14 6681616.904 23129150 8751012.807 14295464.97 9735856.118 37529875.82 79106201.95 36655382.53 15762727.45 39495995.79 6147591.599 21081267.26 20581042.57 54088068.61 11802820.16 12303535.89 20061731.39 31060805.3 12206437.83 10852514.88 11860265.97 23700106.82 8463831.846 25708342.25 47939092.25 114778793.3 21621656.8 17737527.59 15726806.65 45608678.67 3632686.3 17629294.76 12206133.22 65791177.49 26208244 8254695.866 8156021.655 60209372.68 8296131.68 18589474.15 11787543.63 26486423.18 18672023.59 39554800.33 51258103.64 133892586.2 20163484.36 57050140.62 10293094.82 37981902.77 8897080.739 24595582.51 19081645.65 69854895.25 39782630.55 17792924.01 26489161.79 60456454.49 23898853.35 12461369.34 12679736.77 33915907.91 7700293.836 16358801.76 27917187.6 39586974.67 45494985.45 58780926.78 30475567.81 72322845.71 27541245.17 18949645.32 N-Hexosyl Tyrosine 3724122.231 2758214.839 9801655.473 20358860.34 5577124.175 3609373.185 1992108.418 2639042.244 3748900.614 6196667.576 773550.6588 18280820.53 6493138.907 8372880.499 5491451.682 3615849.023 9808306.487 1542398.404 9324740.309 3230284.541 5870507.54 8789415.778 3520000.891 3950710.762 3182680.382 3339517.12 8550785.248 8541039.788 2401019.314 5035233.392 1279076.77 4410120.253 16889805.07 1941609.081 1553031.038 2423495.284 2681719.141 8600737.066 8289338.832 4691308.082 6767664.657 2308656.567 3351431.484 1372327.08 1586109.436 2318853.059 3882138.875 3282698.822 2689760.231 5758299.465 3846017.021 3729759.745 3985055.6 12084044.79 6405659.43 1502963.382 8119179.343 8023025.665 8613302.299 16550275.35 5075271.515 5635895.649 4594543.621 3605936.789 24725179.18 4733184.176 5899025.573 34038863.59 1229274.86 2992157.691 7895702.828 15522274.65 5459869.948 6509826.945 4591312.314 3300948.873 Heptaethylene Glycol(PEG-7) 149035859.1 145311952.3 152855607.9 149128426.6 148203692.1 147413737.6 150440741 150594515 144250207.5 143830913.4 140653682.7 148731161.6 148779541.6 148318719.9 141953503.1 145624886.3 145669343.3 140655147.5 147973651.6 153746427.4 140334889.6 150658234.4 147959969.6 144271387.7 148668330.1 149576512.9 155248538.7 140572025.8 141448190.6 143468016.7 147011507.4 139878849.9 139997723.8 144568000.5 137602051.3 149988922.6 149135387.8 137927097.6 148520465.3 145770052.9 140007351.2 144373017.6 146169921.8 143383690.7 141002193.4 151496072.3 147256552.7 146594575.3 142207138.1 136611485.3 151980027.5 141530044.7 156980546.9 135578421.7 151473401.8 149678815.7 143596373.8 141751430.5 143727844.7 141271452.9 140487958.3 136413917.1 144294193.2 145800322.7 147003309.6 152481840.9 146729161.8 143176344.1 139684660.1 144305112.8 144279624.9 139922170 137010708.1 153219449.7 144441526.5 147045713.3 Dodecanoylcarnitine(AcCa(12:0) 57106378.3 269759793.1 76649149.06 65269045.95 20240541.37 65736832.38 18524005 29670215.68 23841827.17 75392525.97 91801616.93 67284016.33 31107462.83 69959328.64 11736491.3 31255628.99 45473985.13 78449167.91 25493644.34 24467887.41 36205969.79 54078136.98 18472034.09 17495613.21 28023868.77 44656012.53 16228571.49 47635106.87 88002582.9 180365281.5 59480480.9 43710559.19 25769271.11 79219091.94 7172088.619 37797518.9 26026890.84 91851452.81 38354349.22 19597459.79 17249573.5 78926153.5 16914708.75 31124505.12 29249962.9 54729935.51 40847757.28 54556867.45 75907841.35 247730019.7 42858893.03 85163535.04 23359087.98 73051908.13 16747408.57 39946580.55 27944497.71 90425262.91 43425170.75 33824831.2 46271176.38 76869493.64 39089751.68 23952946.25 20310329.76 46417345.62 12134741.35 26117523.66 48504496.13 78565851.03 64081404.11 126764602.2 47426614.92 139277867.5 42648711.33 30510729.22 Phe-Trp 5774316.92 7716545.044 5153917.527 4844599.812 5069084.485 4849345.643 2825219.642 2457783.834 4286950.278 4551915.806 5896767.987 3036679.861 2225783.897 3017554.15 2147691.876 1841627.06 3527252.712 6626837.207 2427111.037 1879491.332 4558875.209 3640245.985 2763396.999 2028933.359 4204924.423 5748900.278 3090776.784 2994133.27 3887389.646 6161846.677 2974529.422 3281909.713 5193147.673 4256785.918 3127701.026 4078929.557 2203652.977 4698680.682 3340988.697 2709007.248 3743082.548 4870244.696 2380443.242 2789556.053 4818015.909 6659614.196 4645372.91 4893149.532 2772876.716 4727907.989 2446204.67 2558013.723 3123718.552 4216882.763 2326591.503 2621627.909 3488988.415 5620042.646 3373246.917 2263418.871 2394018.153 2936179.975 1758288.148 1233148.36 2801435.975 3750736.799 2730317.254 2077813.066 3399653.506 3565857.505 3375515.784 3447501.008 2888982.299 4697494.477 2681142.652 3593219.64 AcCa(12:0)-D9 126452496.3 138485529.8 120001910.6 108550927.6 120979207.6 143614719.2 139418996.6 131539805 120446416.8 126170444.6 121424853 143095783.8 138005233 135169879.9 137256492.8 127750890.7 140680276.8 113394878.7 138221107.8 122500648.5 137820969.2 132370302.3 133355553.2 126084116.8 122868073.3 127909931.8 130312734.8 125630058.8 137630590.2 135957780.8 134197175.8 132444894.7 132384124.3 137686878.5 121602696.2 132605553.9 130018041.5 141406537.3 141088333.1 133869537.8 135013444.7 137494908.8 136051287.2 133222264 128211805.8 130312639 131130482.5 134500581.1 127639778.8 125386319 137704089.9 130653857.2 140305756 133437650.9 131170062.6 134317436.3 136482787 134104745 130111366.5 137690305.1 126823318.3 126600288 129751057.9 132645738.8 134230086.3 142964945.3 138999879.4 136174061.9 137034140.9 149598208.1 132487093.9 142536932.7 122643346.3 139795627.4 131107724.7 132256266.8 Tridecanoylcarnitine(AcCa(13:0) 23750265.78 63310474.79 23817371.24 22682337.96 4995921.098 11673435.59 8710785.228 6337119.208 33944781.7 76543178.53 46333341.91 44122128.81 8183471.139 16926858.85 7662159.33 8155932.488 13072450.96 16974980.91 9366100.892 4398298.741 12177829.36 16982898.48 7716278.468 9387065.271 12262398.14 20183495.65 10290148.86 11836558.09 15938941.94 45301267.44 25240406.73 23878144.58 8698929.116 14336637.39 10123864.32 6087018.679 8708377.879 28885796.18 12688397.03 11129072.83 7768807.24 19310848.76 9750374.486 7898034.809 22199856.49 39442775.55 21560715.51 16760711.31 13673003.45 39670207.14 13303657.7 13768908.09 14433471.13 34122839.3 15769261.79 13170824.19 17697982.6 31866302.86 16264176.71 10611265.63 22219067.52 40854331.76 16776298.49 17029538.12 9315353.495 19599312.41 8711007.38 11743067.02 21656041.84 47395820.18 26040692.7 31559496.26 39838635.35 42926501.04 39390141.93 14036906.46 Cortisol 36835366.05 73339134.42 33828944.33 36996497.3 31230069.02 36653932.52 14755153.52 25754894.25 32605846.92 56966299.84 7202309.628 42254570.51 17527987.89 19352735.82 18015667.49 31439024.36 21826230.21 12285572.34 17985387.91 31347677.74 37881847.61 46223489.22 10164935.07 25428523.09 29629665.34 8873187.407 20015084.14 43810881.08 24640000.39 29625878.45 12163994.45 28884496.21 26767151.01 23046611.39 11926462.31 38549165.72 27344860.95 19930828.39 17704881.38 27367950.85 25974292.75 40769657.1 17601157.59 30405667.07 25231530.01 32834142.85 4010870 24181865.49 37072953.45 51704276.19 9651463.868 31785662.9 24105509.67 19381094.84 13626156.5 33416430.03 33430293.84 50046676.34 21241879.67 32785162 30703429.46 39953527.93 8524290.292 35129380.02 28533310.51 17906735.36 28965196.52 30997371.76 17784832.88 22260680.03 8981708.424 28839157.95 35704611.89 27155661.46 12279430.06 22875906.76 N-Hexosyl tryptophan 14939865.3 32676671.64 20814548.74 32230520.89 23632765.84 22462852 13095938.4 14979377.98 14591009.14 18804069.62 9694643.849 35502482.32 11436960.85 13708830.68 13571163.47 10978382.33 14609941.4 11941562.94 19067823.99 10592585.57 23184154.9 24431674.28 14999029.42 10668200.78 8748647.763 7967201.014 19817208.54 25784403.41 9894944.273 21337061 10410081.17 16921201.1 30003615.69 9361215.632 5402792.268 11923316.59 11984406.55 26598604.29 22947554.2 11278799.49 15318091.39 16411282.8 14332091.26 11189253.19 16230988.78 20552791.59 16014743.32 15671099.02 13193030.33 25205725.4 13385604.84 18107149.88 9462995.46 24066840.9 13132216.43 11757469.59 22228751.57 22142914.75 22100164.33 46463445.42 19888637.65 15722029.09 16926270.52 10010582.06 52346207.79 19637747.94 25655077.06 81755766.8 22306953.86 17695480.74 32761659.83 57757299.13 16782445.73 19800693.21 15518233.9 13833092.69 Uric acid 1533767094 1776476356 1511063041 1530199516 1279787465 1344399268 1347456508 1072350436 1626164811 1648184739 1449510281 1363158018 1386077487 1442275438 1496896483 1208792572 1802522147 1880479185 1770697970 1554468259 1488761279 1651541394 1600937066 1394755500 1405490199 1398754527 1255938998 1493188082 1533652168 1759224806 1571969550 1570232225 1749726354 1608253255 1804797602 1661577443 1326981942 1409194865 1526564092 1338049444 1200812432 1194681575 1190727046 1214059270 1638910220 1444106543 1668177715 1466813401 1282277676 1297789852 1374356457 1260899359 1258762597 1260855616 1288532998 1111575954 1842310663 1938424145 1955895123 1678475236 1268899787 1618974833 1411938189 1205866174 1287684949 1298828201 1481639101 1278827549 1355019256 1510984624 1386298832 1432501708 1738489193 1757740529 1937490686 1805979829 Tetradecenoylcarnitine(AcCa(14:1) 58174901.82 287054784.2 97328708.31 67078285.26 17408932.06 62197540.43 16786604.88 24555957.67 18380150.52 69118905.7 97813179.81 60800459.7 33076257.41 75518173.46 11631690.34 32254336.91 42283742.28 82781543.44 29386727.5 21153128.63 37356424.09 57854832.95 20131499.9 18474992.67 30679049.17 56359739.34 21448381.21 56925407.08 86103149.91 248613002.5 45403505.68 44752962.47 24146709.82 91449824.32 9594241.662 32160669.99 26184922.45 158121260.8 47160236.44 25012222.41 18406322.26 110051723.4 21449673.39 32728344.85 26809798.34 43000231.36 38176506.59 61170927.13 57819946.31 257815166.7 39144798.63 66716924.31 19995920.69 72980882.64 19466270.25 43704521.31 27386853.04 97443989.16 46013614.79 28281868.94 31246049.23 88890415.71 32622993.39 17429800.8 19366007.99 67030185.25 14702383.24 29499378.5 46991445.98 99381981.17 61112172.16 111550528.9 47261637.86 177352230.7 48795334.38 35075428.02 Tetradecanoylcarnitine(AcCa(14:0) 16271645.16 85738609.99 33748526.95 22174160.61 6632011.696 17989437.42 2661024.48 8589088.644 10896210.15 31143047.51 27857732.82 14366874.53 9237338.491 24247465.15 8172043.363 9425868.871 15383576.68 25748494.36 8171752.787 11620472.25 14551949.72 28734401.93 9693046.91 7737926.752 16980413.77 20110264.45 11607729.21 15114920.62 24381908.88 60519330.53 11583707.97 6049465.09 8839950.297 30347143.76 3793753.432 11645171.19 13478828.82 38947746.01 15683880.05 5547787.759 6724056.188 34738654.89 4628996.182 11151435.04 1675546.67 32656825.28 12360603.25 10012472.17 16210789.66 107484702.8 14213010.95 18751215.98 8133466.663 31206695.57 9776566.311 15997304.63 8820611.372 38471640.28 13436716.83 9958394.136 12468557.35 28882419.97 12780680.38 6694416.534 12643777.33 25314542.35 5814417.749 8244897.897 15593480.62 31854561.05 16840129.46 21402538.35 14692799.46 82121825.51 17306364.02 9533493.193 Sphingosine 1-phosphate 76259680.33 99314907.03 79415739.93 61814912.76 56956621.49 66169294.03 55071386.02 38022836.11 49604053.42 52466762.19 54452451.19 53980580.95 61500854.5 62360068.92 55875234.96 57663227.15 58174170.02 64109852.82 59523503.08 57692586.57 54844258.67 60756698.7 54741604.94 54031959.54 62191299.23 65177385.35 63203331.56 58273270.63 53025603.81 63558673.7 59751556.84 62196704.59 46864198.42 52444514.48 52054795.04 66755764.98 48364819.23 56961289.19 50999597 48172109.27 53224476.67 65313997.63 53116698.48 44297972.08 55251848.22 64727552.89 63128918.61 58224152.69 38454551.52 48503583.47 43606507.57 33027552.82 60300386.01 60739634.2 60775157.23 51793000.7 59674962.21 60861267.73 71632076.55 48381720.46 48453287.79 53273666.99 52341022.99 42201797.14 54559008.77 56946976.81 53168456.26 54059399.92 58088885.88 66989378.06 60688717.14 52096695.61 46886402.02 51458576.36 52909563.57 43652974.51 Sphinganine 1-phosphate 7908962.734 21433060.67 12608860.48 6850973.069 8579868.3 18809937.46 10926816.4 4288773.729 5282302.576 14553822.14 8323444.29 5691176.67 4955691.276 10094401.73 6462370.165 5238802.963 5252654.174 9526221.704 7090470.996 5048832.238 6011987.075 11739111.8 7443659.184 5495022.208 6535810.918 12072550.61 9094641.04 5082418.888 5910009.776 14147803.65 9532385.004 6516108.323 6207926.753 11764004.46 8419705.316 8245807.597 4497660.407 11991510.75 6826318.166 5056094.096 4661759.64 11915606.48 6769937.491 4406932.082 6227101.131 15127360.25 9646398.57 5657945.276 4316471.162 11590529.07 7450098.6 3752331.157 6445491.684 10724838.37 9254892.826 5253703.841 5649467.574 13616604.43 10969720.03 4355447.524 5055778.797 11096822.51 7558708.178 4440513.436 5321654.795 11663905.97 8239759.308 4889337.769 6886589.848 13709237.52 8705028.089 5148152.465 5437703.838 10278295.96 7649568.222 4771080.637 25-Hydroxyvitamin D3 2926179.624 3386354.683 2967340.554 3083565.493 2115505.146 2764123.794 2090121.931 2548669.043 75003.18967 1462953.474 9282.141418 1489018.886 1362151.466 1473918.301 1577871.797 51458.76478 1570025.007 1799092.282 1672965.851 2136300.509 17100.54884 1653638.278 1128382.17 1882972.147 106955.9757 1592118.876 1706522.257 21391.39788 1607040.025 1797319.38 1164111.5 1617957.227 1594115.798 1526056.222 1230156.921 1199283.689 41351.49907 2057643.052 84698.9069 1477320.165 2193645.963 2223837.681 2180026.014 2511373.222 1579676.123 2233006.292 2343272.901 2200029.703 2248779.951 2429143.606 2032456.488 2396667.804 2185564.686 3048425.74 2730665.714 2341385.455 2118111.597 2665681.601 2408927.304 2276419.588 2706489.775 3128559.095 3485479.074 35123.53392 1794134.441 2946074.85 2634736.399 2697859.421 1652849.646 2050812.969 1814859.86 1753056.632 2871200.371 3042328.538 2742388.763 2783339.859 Octaethylene glycol(PEG-8) 173777961.9 163020867.9 183971912.5 179025107.8 173617748.3 164777676.1 175128231.2 185235893.3 168686396 167013373.3 179568863.1 173804866.1 168872394.5 174700207.9 170596196.2 172392853.6 173338378.5 171917920.3 175680554.7 186835220.4 167963577.9 174337672.8 178889931.6 179008102.5 179269124.8 187112946.7 189180643.7 166801125.8 174621612.9 173711231.9 181953691.4 172755028.1 165333407.4 176100764.3 163465620 178786450.7 172984227.7 170360735.4 181149928.7 172267528.3 166278572.5 167890661.9 175966017.8 169626333.1 175227743.5 187460128.8 167780269.3 170356968 167148782.3 171219456.8 174861655.6 177128217.1 174837628.9 165416649.5 186136285.9 182587748.4 165115171.2 164949060.6 170792930 174898381.3 170908637.6 179423536.6 173415795.3 183958232.5 180448273.5 174522304.4 169839776.8 169872341.7 166930136.4 166976962.2 167017264.6 178764176.6 171600254.2 182165080.4 165505053.7 169945983.8 Hexadecadienoylcarnitine(AcCa(16:2) 9199547.793 91154954.2 15551866.72 11000980.99 3496824.025 26873696.04 2741611.371 5134582.855 3046579.589 14300127.39 18669892.78 8068792.389 3819550.072 12717600.9 1920397.688 4780130.471 4765588.016 15497839.61 5573704.033 3608409.197 5890489.068 11444210.17 3552637.322 3214042.716 3852283.349 6384726.389 2107872.577 6189666.621 9549033.247 40275829.68 4593587.692 6251037.772 5725629.958 25224958.14 2500731.71 5135131.375 4670109.54 31301550.64 7750335.808 3735085.023 3528836.984 23609676.17 3382156.468 6171935.957 4670900.594 10607070.7 4967522.865 11254976.92 13640685.88 116750339.1 8340508.362 20379559.79 3045573.344 17548504.66 2935018.664 9002967.371 4938041.652 25587455.12 7764014.526 4392933.326 5680253.318 17008315.43 4737570.224 4213298.24 3037209.179 11362141.21 1724760.692 3899480.919 9455097.123 30857838.71 11269332.5 12046291.59 7581850.273 53822158.8 8400928.617 7582913.535 Hexadecenoylcarnitine(AcCa(16:1) 19786462.54 109512253.9 34281511.92 23239164.9 5907057.104 24683122.43 6613037.961 5520401.351 7298742.918 22860412.84 26353185.97 13766519.28 12771204.99 28861859.15 7309835.175 12837819.78 13547900.67 26466274.19 8695044.922 9891629.511 15288474.71 25911505.22 12815763.78 9151042.576 13005135.37 21216306.58 8816396.341 16706880.89 18715796.86 61479549.84 11460035.97 10289548.2 10355330.67 30602475.6 5098813.218 12247571.7 11442998.46 52474750.78 16609921.43 10265375.76 10488528.13 51904896.06 10979916.77 14694857.34 8955121.916 15079748.06 10855739.01 16909691.56 14477623.59 104408715.8 10106737.19 16191860.37 5631658.291 24086335.26 8056262.413 15482534.07 11269742.17 38775425.59 15799994.17 8546675.243 10280049.13 31803669.35 10853143.23 6313992.773 9041005.54 29780057.16 7835245.558 12273566.43 13770847.27 34301239.63 15771246.47 20136471.33 14853112.85 79542207.68 16499088.56 11496676.18 Palmitoylcarnitine(AcCa(16:0) 86849713.01 184618994.5 98261665.88 90029198.89 54389975.78 79633650.59 47070233.43 57951861.6 56416218.1 80390983.12 80293639.41 65093626.38 65136678.26 78708495.35 61712807.69 61925069.64 61658836.09 68238625.14 53071031.84 48442207.15 100060461.4 104175524 84681067.77 61541878.33 72201724.15 69277098.4 52198175.23 64320108.72 62993211.7 96800878.98 68575877.42 40358156.01 41172955.42 84553797.52 36841572.87 58976838.99 86248868.16 130375812.3 85770866.98 62481649.13 49031335.58 115995822.6 60694406.85 63128347.37 48592812.29 84839197.49 57352263.42 58142138.45 51051234.45 165526615.8 58909443.98 49553476.74 48411665.47 79968289.11 51327409.93 61624621.95 50559298.48 101703667.9 58276053.75 54143624.31 47430471.81 68826481.47 57270641.25 34880761.69 62930364.24 73598740.83 38389185.82 53486689.19 75814687.13 99237872.74 68784071.15 74342495.18 62338976.93 143427328.2 67466727.52 49537931.91 Linolenylcarnitine(AcCa(18:3) 4673237.514 23555384.41 4583011.125 4628228.51 1076443.99 2634699.087 694187.6066 1185430.887 1557880.136 5494717.474 4538388.758 1564833.163 610235.9355 948927.0265 668210.6166 1733950.271 1416554.667 9324520.548 624209.3103 2103844.554 5638977.547 2965431.838 945220.0298 2660424.165 946030.0243 705097.9816 600850.2691 1529988.709 1347074.212 6529287.519 374572.6804 883734.7858 6996968.291 8348561.419 762208.7391 824853.4682 1394303.869 4108441.524 2378535.039 889077.5253 1100696.35 3621424.555 470613.6109 3918609.205 1456932.144 3630772.756 1569471.85 973982.3731 8150556.51 24649990.3 587179.7771 9182965.282 722421.1484 6469569.801 849120.3783 4134355.554 1781022.005 13906601.54 5654617.124 2920942.05 2365043.175 5427025.437 1164006.659 230964.7115 883995.6816 1311035.743 589365.9805 1225152.593 7730073.992 4306528.79 4598312.842 1261507.396 5315229.531 11602201.95 2363014.425 4875374.913 Linoleylcarnitine(AcCa(18:2) 130005346.9 355860182.4 204190513.5 131282776.9 69678655.5 147032876.6 68141656.72 63487136.63 61964100.34 110959771.6 117776651 79217145.22 66775602.42 90216432.59 57544317.89 85103562.58 68948338.36 121208894.2 83910004.37 85272201.94 105640606.4 129421998.7 89551469.39 88213403.9 71340711.13 71782734.48 45055461.85 72266879.56 69463179.12 132948156.8 45997273.91 56236156.2 110168896.6 185156884.7 75742121.47 92999903.44 106652155.6 208373869.4 124327160.4 76124051.87 68888001.03 157141674.7 69676709.94 97648110.86 72072604.75 141172316 76078403.76 108065083.1 111539361.3 338146720.1 92369976.52 117056727.1 60940615.75 117332321.2 67268216.69 119072240.3 91438019.22 185740480.7 102245853.6 77158118.39 61211429.99 92418091.81 55049164.19 54789787.15 79189452.18 88743262.3 48392828.45 63968953.57 128894570.6 161910011 112596160.2 74914522.09 95724154.38 213629766.8 98086079.61 104270151.6 Oleoylcarnitine(AcCa(18:1) 104884625.8 294201073.9 138969037 119854831.6 42103224.33 87806253.21 41989451.12 42051369.08 43008621.58 86880298.41 92777685.47 59464882.91 71006106.83 97088618.6 55543391.85 71375704.37 67507515.46 101922877.3 52045256.7 48307055.45 87957588.5 112202808 76714033.44 59920765.28 68842233.24 86959897.27 57281064.12 80073618.38 63678598.53 126793339.2 46829314.06 42070414.4 52395140.33 116873907.4 35524968.64 72924938 80944108.77 185405252.2 98083123.91 70568116.11 52006041.56 168137746.6 58076787.68 70315762.4 48550379.19 79019689.49 56517768.85 68226571.19 57223845.02 235646787.4 52270987.96 54679785.03 40571756.96 89854962.26 50173848.88 67010542.72 56732345.28 132628335.5 67764301.87 50537213.72 45795238.18 89023995.99 50984131.14 32219275.08 61174079.84 100293385.4 39616985.55 57215979.7 72893221.08 114467065.3 72918294.71 68747291.84 67620365.25 185099039.6 70743844.4 59997615.19 Stearoylcarnitine(AcCa(18:0) 10111121.91 24839975.47 12516387.33 9033802.039 4657088.765 8743497.303 6150517.043 4055243.676 6201571.765 6617798.705 7386448.686 5435860.896 6814297.238 8031517.753 14474543.4 5473087.07 7512808.598 6004849.646 8431317.464 4058640.444 14556812.13 8925108.962 8053158.173 5086897.744 5979672.889 7071727.493 7922377.056 5240044.391 6504430.477 8013829.736 8235388.779 3836179.73 3851097.641 7368716.082 5728395.06 8879529.902 6688675.522 13750352.96 7692202.8 6796707.302 5208035.967 12650531.82 6041993.507 9224629.218 6331824.699 7117984.488 6430378.552 7703691.011 9421860.227 20922389.42 9217884.517 5027974.906 4283051.734 6562090.529 7888724.064 4312128.236 5246107.691 9015683.922 7531836.811 3529508.645 4778602.765 6747656.035 6746097.819 3809138.404 8007524.922 8440339.557 4546797.532 6883185.746 8024598.073 11460645.25 7473367.026 6505728.676 12384878.22 10504963.63 7514006.634 5503770.99 AcCa(18:0)-D3 480160900.5 568620604.8 443783438.6 430165976.4 408575240.8 446240700.9 481135783.6 381595646.6 374033693.2 331220074.2 407342389 413824046.6 539546651.5 423305361.5 984981237.2 354257263.6 554587370.4 308448641 489967401.8 387477477.7 407455341.7 380057557.9 527366874.5 366894779.6 437890495.2 429892468.7 527493016.8 409071616.2 777970317.9 366416692.7 484031087.5 470109398 401105128 445759631.7 421763524.6 496793903.4 424294276.7 509910600.5 380172513.9 504415405.5 404205512.6 593817514.5 389654395.4 340312441.9 398760445.3 436583503.7 435372927.3 485097304.8 304267689.2 521823219.1 490168949.2 352594794.3 474926279.8 369680913.4 458124662.9 398885598.5 405912006.3 404341193.7 517184207.6 312630570.7 407873368.5 378988254.9 509508292.7 409312378.5 448559987.7 429999071.9 301957235.5 455990875.3 507339640.9 497538418.6 406359664.2 334868160.8 388212067.9 417722661.4 411454438.1 466739793.9 LysoPE(16:0p/0:0) 34336859.41 45799676.49 25873462 30741868.55 32169344 25380283.5 21447486.49 19187145.61 25711930.75 23218700.47 25161981.21 18959386.95 19683626.36 17427109.41 18570790.79 22095369.15 17155399.87 21256801.98 14654572.37 19846428.5 22615740.77 22486528.12 22875301.23 21936834.09 16994255.49 16100728.93 14741443.12 16595845.66 19977525.76 21812224.44 19284347.82 28039282.72 19252985.83 21393609.03 15461645.35 24403039.4 18271467.4 20602469.23 13567896.48 20669949.87 21362040.61 34945286.25 17089243.35 22691763.93 28668186.32 28898749.33 25748428.65 25490526 15970501.64 19677572.05 15475785.4 14634239.14 21977676.78 17649785.01 24713772.2 16223747.87 21354565.99 24976854.91 33218926.92 17176776.42 27175907.06 20754103.04 27087023.31 22951169.22 28719759.32 20053263.25 23193371.3 21450768.95 23227195.67 17760485.83 22586661.91 11427107.97 16882575.68 13375157.46 14693237.58 14695513.02 Icosatrienoylcarnitine(AcCa(20:3) 1423988.189 4157060.922 1705131.758 550645.4223 1228182.122 1515426.74 1288859.918 1340085.409 713192.9036 1076764.633 1521851.07 1071885.878 430053.4011 774527.6853 819667.0037 792674.6442 853273.8284 920005.252 852916.5658 718736.2604 2036532.903 848711.6515 762567.2377 1479914.967 852767.2563 941966.3873 592703.7831 634627.2815 538241.6131 756739.5 509414.1071 456064.9267 1062879.626 1272133.417 791480.272 918473.458 1091862.681 1254426.301 1316180.281 774907.353 743468.5023 1698774.878 489892.7234 844759.2959 940680.1569 816460.51 922584.5646 1275303.877 1424866.632 2394904.033 494777.0279 1072486.308 584154.2679 1154755.15 622967.9672 859600.7675 666367.8434 2040921.518 1147415.34 585360.0984 634193.7405 788795.772 1032254.21 567870.8605 1410923.212 1345776.966 1176733.528 1291780.986 865305.2749 177455.104 1357188.087 1022397.092 1119016.341 1161744.119 1154629.388 1187353.856 Icosadienoylcarnitine(AcCa(20:2) 2108201.998 6278463.936 2748045.45 2381494.302 805255.8495 2570862.058 1334999.571 867996.9068 861669.9739 1492086.196 1795610.375 1347466.21 1889903.922 1914550.311 1346773.157 1606674.131 1528581.112 1652586.042 1599395.808 1308763.311 2326249.346 2712907.745 2698586.995 2015846.318 1880815.129 1847273.227 1670736.332 1867206.808 1411219.087 1938749.004 1284388.866 1082569.418 1342794.108 2606683.017 1092643.537 2103263.843 2034202.208 4085225.087 2370480.4 2058137.553 1764248.345 4003716.394 1759578.1 1820770.532 1025329.182 1718567.522 1394681.282 2091671.559 1447093.135 6766374.832 1770129.074 1431627.878 944496.6503 1666421.87 1158712.841 1517752.939 1636333.332 2847329.405 1765142.299 1011387.334 1151984.358 1655714.161 1227747.149 902402.1451 1472456.593 2022809.668 1247440.617 1566962.802 2343604.481 3462984.714 2044655.14 1483952.065 2288624.463 4638642.933 2390429.227 1817370.537 LysoPE(0:0/16:0) 6546162.256 5078811.944 6540245.214 6097241.65 9444366.477 6914685.485 9527099.181 9090980.583 5714323.323 3787800.074 6325889.256 5110594.784 5144566.381 5667808.79 7162892.096 6075917.063 5159302.322 4162573.943 4854945.258 5868040.825 6106945.973 5677994.85 7900357.549 6979477.509 8932810.367 5739994.887 8699579.787 4960383.705 7217366.276 5326377.202 9333535.977 7612975.235 6259773.852 6539061.768 8330854.368 8908890.012 7121189.738 5689597.176 7259154.947 6802882.849 7508882.444 6948308.943 130170.9346 7844259.494 6594252.629 6943537.067 8144812.297 6939709.759 5787523.271 6155054.522 7820087.732 5542835.178 5251925.65 4667107.137 7945361.427 7500740.134 5632849.001 4696946.074 6212418.301 4749722.406 8795822.559 6077657.426 8430152.713 8335455.586 5363442.74 3798845.679 5537874.809 3580124.314 7353348.58 5956064.761 6942219.197 4770284.701 6475747.193 5975591.141 5752119.121 6782100.747 LysoPE(16:0/0:0) 59454787.98 42957198.82 66954917.12 65999888.58 94003367.52 53044607.59 87418271.38 89349178.4 64651502.8 43339613.42 70475335.21 62084543.75 57096962.83 54341490.42 79265197.8 64145872.92 50303705.28 43954198.66 45675884.68 62205283.23 74474868.71 60677334.42 88152107.37 69469982.3 89699672.12 49427636.67 77408051.75 53781378.53 79132724.51 57565345.86 79375320.31 69622392.65 71768481.69 65835215.6 69104967.45 74755263.76 75332832.97 61557714.95 73103799.43 58128052.93 67473689.55 66895361.85 69772454.87 83529106.15 60208303.55 71553338.37 72329948.77 60357888.85 63583803.55 55921103.67 59478242.59 58199649.52 54843520.08 56319327.29 63413612.2 72839477.25 52927853.6 53870384.52 58307556.02 47020591.83 95127481.13 62404906.32 92843222.27 86121747.02 53293226.43 40040803.53 51905894.82 34247980.01 81932110.18 57073184.07 76538042.88 39403925.02 72199684.06 57478821.21 61121049.3 72836568.67 Eicoseneoylcarnitine(AcCa(20:1) 1290139.105 5728804.259 2618638.795 2642486.633 808443.4641 1930638.524 695285.7967 508563.9631 652744.5915 1518068.952 1724211.923 1079870.908 1291985.714 1672028.438 1113990.89 1146992.489 1277279.169 2002221.511 1063638.342 1045133.533 1646340.223 2095009.148 1876117.724 1086665.465 1653179.369 1643103.558 1294145.915 1612502.116 1395558.423 1843581.47 1180970.496 624597.3318 902430.6785 1993190.536 612251.0737 1318430.822 1639571.349 4051868.107 1915515.548 1488554.698 953671.7303 3969596.869 1172206.721 1118568.943 786482.8736 1605777.442 1143322.517 1343948.926 987845.0861 5040737.33 1297688.225 839883.6742 520410.2881 1340878.289 932136.2201 1014876.755 756186.7851 2275470.319 1356981.218 602460.7225 743326.6168 1572896.114 988581.2367 492627.5625 1365747.291 2254003.878 544314.3681 1026067.905 1248263.536 2163788.449 1775484.246 1055403.93 1630425.08 4430109.997 1828560.568 1384136.775 Arachidylcarnitine(AcCa(20:0) 1050989.873 1701358.846 1123636.179 1411495.94 683839.9093 851377.135 731396.1098 725589.8059 389087.4082 828589.8853 937413.6924 805966.0103 536688.2621 554076.945 939680.1125 515371.564 961273.8077 860405.211 721653.5525 528712.0957 738439.2896 766882.5126 1061260.844 484168.3028 794194.239 553035.9743 665675.01 647765.2512 499405.1501 759906.2512 999001.4524 608289.844 590446.1256 767735.0555 396003.5465 1168059.029 895582.4893 1693457.883 1027707.329 840149.717 660286.4184 1465348.294 688737.6126 428102.3272 447666.744 1045957.219 736359.1842 1159462.061 596417.1374 1797075.965 1149468.907 511276.9226 386304.6916 660815.038 817526.1697 506702.728 330061.9023 854263.5175 952104.3237 232267.4018 693523.5112 779844.6496 1069025.617 702767.0576 912332.6548 705744.1637 607815.2371 737990.0704 1123784.271 828083.8251 1078037.336 493108.9742 733250.0293 891644.2034 815432.1518 763378.8328 LysoPE(18:1p/0:0) 11984569.93 16092146.73 9437260.044 12750557.69 13485205.66 10171204.23 7880094.725 7573198.67 9676101.906 8776661.368 9534476.806 6558091.15 6745676.384 6312290.509 7179472.122 7632440.25 6165902.004 8830020.34 4831146.074 7144993.759 8342773.721 8353802.927 8481731.071 8058684.25 5844375.702 4887494.241 4525751.394 6385778.503 7908983.269 8096087.609 6005070.606 9549359.178 6520162.861 6872528.922 4694793.863 7133137.588 6822141.741 7649629.621 5183539.875 7331740.579 7582595.568 10327383.15 4938574.457 8179007.819 10440596.56 10820492.44 9041813.841 8214972.442 5937894.744 6667256.069 5137337.156 5238070.353 6117967.98 6232792.61 7499481.624 5496863.689 7364453.007 9930635.006 11435002.91 6519532.416 10177624.27 8030329.457 10214452.77 8435403.39 9606777.099 6819887.018 8039852.506 6483311.881 7575394.196 5567436.571 7992047.887 4200296.026 5867451.618 4969334.987 4960003.08 5137592.48 LysoPE(18:0p/0:0) 22278259.55 30519631.43 17683726.37 23435737.27 20812603.88 14460077.1 13176460.62 12738106.08 17760370.38 15795882.84 18511251.81 13460940.65 13841088.52 10801902.22 15528850.82 14210826.69 11572455.44 13169077.26 8725501.372 13481627.49 15075851.88 12922638.43 15314249.58 12705524.24 10992763.6 8781829.712 8032920.639 11222596.89 13837923.55 13463775.84 12686457.24 19390824.48 11329626.8 13854689.38 8188737.495 16586843.07 13625833.24 16970489.41 9764666.619 13967760.66 12615964.65 23390694.41 9448150.479 13128715.24 16547994.37 18124725.96 14433032.03 16570944.45 11644385.3 16254007.38 10115676.07 11015169.32 11231758.43 10831165.07 14075067.03 10661100.48 12411753.78 16744979.61 21908997.22 9775806.533 18916827.04 13451247.97 19880805.11 14786781.67 20981158.04 12853010.12 13526229.59 13732235.53 18321001.11 11775753.87 16831593.73 6772651.627 11303260.85 8935655.27 8249254.991 10050882.88 LysoPC(15:0p/0:0) 1678829.263 1576764.177 1304447.102 2329426.893 1759202.771 774227.6267 986604.5318 1248794.818 1080071.221 928157.6379 1187116.508 757469.3117 1235141.886 1098587.143 1425932.63 1546592.897 1114814.249 1176039.791 895716.774 1102493.122 1466915.841 1245480.918 1326838.789 1214589.592 1359167.461 766250.5382 747051.0219 1176021.278 1421128.832 1227101.333 1005520.011 1275800.616 876122.8796 1033988.864 610536.3366 857341.7296 1311911.927 1140472.019 1212770.775 1013007.736 934147.4746 843852.7446 684278.8791 1705529.911 1238451.376 1521369.809 1687985.691 1504328.414 1254971.051 1047010.71 935561.439 1289771.327 667402.8754 996752.2174 683252.2911 1394750.686 1117977.479 1295720.787 994958.7399 1156498.687 1941269.043 993425.7411 1756753.892 1750377.403 1702850.73 1150756.426 1111015.637 1093576.479 1440183.527 605864.0314 1203318.561 741108.2678 915668.35 1095317.671 526197.3023 954522.3898 LysoPC(0:0/14:0) 6387862.433 5853892.959 5430569.435 3910340.211 7937127.303 8282283.113 8786054.735 9028074.919 7596378.456 7762653.291 8427021.495 7189711.871 5053573.227 4007293.422 5559870.898 3990466.8 5951307.65 4018053.28 7076258.653 8130461.062 5339181.527 6368152.711 6191516.409 5875751.034 10476464.41 9037341.186 9926276.312 6106868.96 7012327.03 7284361.491 9913414.841 10751287.57 6214961.58 6067290.521 6201142.865 10036250.89 4164376.969 3791702.889 4633292.909 3270687.756 8051605.823 8745399.335 10776909.24 7973559.914 6130251.393 10413787.14 9066919.035 7476946.648 4662666.533 4177716.167 5361839.064 4549923.972 6047692.706 5842711.064 8769728.375 7825255.518 11487119.53 10990008.87 10356161.87 8586719.681 7195680.583 5708164.242 7998212.789 9503311.948 10763703.39 8376811.849 7652087.124 5087362.793 7409147.113 6849331.645 6229769.294 4105828.789 5044334.716 6328520.099 5305051.528 6013510.37 LysoPC(14:0/0:0) 67713812.2 61442256.76 55993677.31 39191348.22 78397605.71 83191668.12 93155639.41 87587367.98 76863165.02 75275903.63 83288422.28 77215278.81 47842423.53 43196408.15 55601310.6 38187747.04 58976406.9 37652548.84 69777674.52 77956282.73 54767126.77 58150145.71 60397685.51 55627681.35 98163088.79 86475067.02 104297612.1 59620390.25 76880177.54 75855746.18 109374081.9 116878304.7 61536773.16 56287927.79 56064217.97 104565916.4 39512787.24 39531776.33 44864776.03 32599119.65 84653203.1 97508405.86 109447330.2 77984930.85 66529603.69 104746107.9 102667498.5 80295200.76 46929441.31 50798113.51 54897745.13 44324439.52 59047372.99 55859564.02 75646903.55 78795905.5 115106386.9 109969989.5 115304737.9 79785838.5 70130986.24 60056967.73 83069225.31 94614013.73 109678878.6 86091955.1 78699535.22 56055111.77 70842284.53 69686488.75 61493241.3 39979284.35 47049027.38 62239145.65 51389635.07 58960796.29 Decaethylene Glycol(PEG-10) 82264410.53 74568542.2 87374012.62 84422570.02 80474712.41 77824555.7 80762552.22 86291520.74 82043436.01 77040204.28 79444919.5 82379167.45 79879648.44 80565510.24 79920211.56 79991234.69 82732092.7 79318683.8 81831990.38 89562303.99 76168655.28 80782658.03 86523472.37 83457067.45 87118374.03 88133192.36 87369523.75 74384870.94 78771810.67 75968012.82 83889922.96 74879803.04 77220677.64 84817586.69 80161573.09 90434074.85 79685162.09 76552339.08 85275693.83 78351991.62 77344884.96 78161927.47 86157693.28 81034174.85 82417354.95 90527234.56 82066330.78 86989693.69 77901961.94 72757496.76 83911452.71 78275769.26 83354981.14 76596737.81 84560166.01 84787835.46 79278624.34 75212285.08 77230885.87 79201068.84 79215933.22 74196427.05 78551341.76 85662514.47 83279481.82 80594295.81 76402927.44 77799832.71 76964413.3 76689877.93 76339075.58 74519827.86 76563566.37 85720360.32 75992811.08 77410016.96 LysoPE(0:0/18:2) 29429337.7 32066417.37 38092567.41 38561203.21 60927212.17 39016550.11 64378980.44 42914328.81 23505275.38 27432517.3 37644208.25 23211196.55 29655452.03 43877861.16 44414841.67 27833400.55 27447390.17 35290011.68 54414689.51 27969409 35029751.86 35602818.95 43262285.27 24986242.74 27759505.92 20975320.51 43519110.84 18429286.87 25717380.35 26880788.97 44445883.48 52295538.73 38766908.85 32600163.19 52858279.22 57644470.31 38235739.25 48642436.41 52099309 54761165.95 63249506.1 59654372.99 67728571.96 53295712.36 46611352.51 48278214.34 68191682.83 41957922.42 28677421.7 38326801.31 61483685.59 30469606.23 51023440.84 36038393.68 63931238.92 33455051.9 26209668.11 26805887.63 33283410.33 26055402.41 41803293.41 30945708.98 47174704.46 52255175.76 30626487.22 28977937.05 35450224.11 26256385.67 36486650.4 37653147.13 42951148.43 35672949.71 31510362.63 39901642.04 30365507.5 53927318.94 LysoPE(18:2/0:0) 133375869.2 119745793.8 196208788.6 207156204.5 368492634.5 223673782.7 402725353.4 264344149.7 128028660 138306928.5 193435962.1 125749466.3 171111088.1 280851136.7 259028150.6 173122993.5 156679803.7 200546313.8 339643234.1 159453643 212630723 219253748.2 231048711.9 153155938.8 175716857.1 130920193.9 251535773.2 111707090.3 153552447.5 155469387.7 280006703.1 329146815.2 259806827.2 194019668.4 345917939.3 332244257.3 269525029.7 275608063.3 340328820.4 344765786.8 423312782.7 303876086.8 450791968.6 359906862.6 292398139.7 285935709.1 455409285.5 245494582.9 196279310.3 215802917.2 387894502.5 208934947.4 304492876.1 212543854.3 390810504.5 203537298.9 169444975.8 146012678.6 189334123.4 167747672.4 270250423.6 191790037.8 285220674.2 322266084.7 149022625.9 146897519.1 205417202.6 131815272.1 215599316.2 242477556.2 254252438.4 240606020.1 209232598.5 254633579.6 199595210.5 372675992.5 LysoPC(16:1p) 4239587.94 5269544.756 6897322.307 1773822.433 1933970.593 5009622.187 956684.5675 2479156.744 1683857.978 1109062.291 1778359.304 4364281.14 452138.5825 5005391.595 2652465.224 1716973.593 4921155.175 1107181.954 4806241.428 1496372.831 2998033.309 1940520.376 2275470.716 1674258.047 1956429.149 5158431.317 7279516.142 1687268.953 1520174.297 2493381.974 3793120.949 4222843.097 1900817.534 2083288.529 5598777.821 493398.8453 571070.4283 6011975.273 2147492.334 3203281.888 6176192.341 7088739.517 5772335.803 2283849.538 3795817.447 4060783.232 4924528.646 7480120.127 2166429.668 5428099.054 5663640.242 2211576.054 5629869.99 1271687.363 890984.9005 1805450.368 4726079.372 2792107.083 285215.1092 1202458.718 2772326.247 969361.0078 3594011.505 2966185.366 2778395.45 1606792.636 4789071.18 3984582.727 2269387.043 5829402.786 1838588.502 4868345.314 2079690.352 667601.2486 5180513.6 1936413.572 LysoPE(0:0/18:1) 6838732.877 8002202.521 9932107.73 13104501.73 20326165.01 10701989.9 14985620.28 12300640.56 6823281.037 7304999.839 11141696.63 5959483.353 7834312.392 13062026.77 14903376.34 7381179.927 7321709.196 8315949.224 11769401.23 6643292.126 9511815.368 11028828.67 13265297.11 6609508.885 6901755.322 6445941.159 11886606.33 4643681.499 6777640.103 7790821.002 13147035.51 12449522.31 6998749.057 5942979.403 8195475.404 9871589.711 11312264.77 11366222.29 13879846.96 13550395.75 12760669.75 13010274.83 13628839.18 13089965.06 11445260.72 12505661.2 14463457.45 8403068.941 5739103.45 7819736.146 12765921.95 5460722.492 12409448.59 9382369.201 14799020.73 5942957.223 6292828.617 7296871.301 8439455.936 8166035.613 10781250.13 8310823.684 14858096.07 13401886.24 8179254.01 8158221.455 9731250.204 6834785.777 7727789.877 7296906.982 10515380.7 10386536.29 6669276.637 8112726.205 6767960.884 14397243.96 LysoPE(18:1/0:0) 40750218.57 44857122.65 60205043.87 97942431.23 182454842.1 85352737.86 139367189.5 97136137.67 50785233.97 59130125.33 77554563.26 40667773.81 56558419.34 112326629.7 123761731.2 54978614.97 49129137.8 70252193.92 91908389.94 43936943.82 75919346.45 86470716.48 102189358.7 47470868.14 54012951.67 44203815.4 91297272 30961187.98 47699332.08 55407377.5 108853014.5 109965890.1 59300945.62 41521219.17 71745979.46 85646690.6 94508413.21 88214549.2 113359181.6 122037536 126559390.4 101431886.4 128956336.3 113018807.7 101769312.8 100355115.6 133395028.3 68694939.84 46085966.12 56887713.46 111661147.4 45300312.1 99101295.65 79310339.5 125671538.2 41877894.52 49498131.05 54350277.62 70507816.21 67401999.85 90182849.84 65712662.63 126046463.8 112635877.7 47281660.41 47570507.46 78191762.55 38045665.66 61742831.09 58890993.89 88931104.76 98769381.97 52321866.6 63486889.97 52537124.01 120838677.6 LysoPC(16:0p/0:0) 88186240.15 92270745.32 58886423.8 87599913.24 100163297.7 80067993.47 91814882.59 81256367.1 62163231 50630836.15 65335558.38 56746309.69 71248095.23 54861273.31 71379390.7 72450085.37 59472245.83 52664205.14 63748104.35 62589315.82 74119434.52 64976455.48 84742127.08 79797430.62 80106074.08 56536283.91 54239765.39 61522993.6 71047882.52 61031337.07 68388883.93 76667767.56 80129399.69 80179169.77 74233336.04 104898046.1 79986740.86 71899617.62 59615750.87 70188010.29 76760082.11 89778807.66 64251961.46 82458548.8 79361806.65 75700755.08 66177351.37 85339221.32 73990833.78 75901183.73 54791652.95 61473636.31 71880116.25 57382317.68 52866670.4 69881337.68 53315482.13 58825663.63 56761878.33 43913446.79 76125583.16 50741874.01 61116839.08 68295586.28 90858600.41 65010043.1 60226343.48 64198517.6 92768440.09 69519736.21 73113657.69 41988161.59 71791983.6 55384484.74 52418105.8 63986225.89 LysoPE(18:0/0:0) 64593325.77 71840618.6 61569381.14 66123498.59 68028249.41 46852912.46 54490832.74 55455461.47 51709822.78 38086613.53 59515258.37 43742820.14 42885150.22 38147821.44 57561074.06 42982168.56 35107777.43 36581743.53 36468181.25 45670419.15 69700908.98 50526151.64 73307216.57 54915007.3 56919768.27 35946931.5 47026185.48 39608443.9 49249837.02 43611667.19 55222145.26 55056484.96 48638859.14 57044657.22 45362702.71 76497444.8 52223260.7 61517656.05 48131953.44 52696783.7 56833450.42 80082733.32 48515392.62 56422233 51724064.35 59534513.05 56036214.65 60793354.23 47762750.38 61826737.85 50545789.89 42328008.38 39199360.34 36171932.84 52093141.44 46890966.66 38273760.65 49178566.8 60225876.97 29516413.26 79046628.96 54780658 82136064.18 66404452.73 56373023.79 32897870.89 39997755.91 33044326.13 70424135.7 50794121.94 67417242.97 27038022.81 48594436.55 41445389.38 34598741.78 51749497.92 LysoPC(15:0/0:0) 5337660.094 4434031.268 3197421.095 3632123.483 6743603.305 6103515.755 5631271.265 6980879.924 8162186.562 6602618.356 7174153.925 6988933.642 4239880.401 4091798.743 5592665.584 4131310.229 6509364.858 4005602.787 4765229.049 5263273.865 6651137.25 5837102.075 6692083.873 5346524.784 5891477.869 4482161.044 5433844.677 4594169.653 4882014.538 4275504.308 6146748.399 6395045.269 4943273.502 4598035.277 3640728.244 5059928.403 5822514.461 3273427.045 4903559.673 3393792.665 7062499.401 6101256.779 7303317.234 7881919.567 4837330.023 7800563.752 5980818.112 5060104.324 7083292.537 6144412.963 6380488.779 6144791.379 4444747.5 4914630.002 4773308.19 5306076.675 7410488.308 7498162.019 7655439.371 5813636.553 9637442.815 5685068.059 9276219.422 10137542.48 6988523.523 4389829.618 4846434.029 4062331.461 8179265.02 6967753.676 7211672.336 4922797.812 6043755.798 6337443.676 5846399.21 5323963.725 LysoPC(16:0e/0:0) 95904852.68 96644548.61 56501582.91 92953125.81 121741850.5 91354704.6 98454750.46 89215056.77 58597642.6 47938058.55 59290164 49093974.88 67557332.74 50544089.8 64493676.35 73784165.85 64505542.05 59338116.73 56671003.14 65346895.07 70978471.71 58682614.79 69896123.52 67649825.73 56082917.14 41119506.04 39069802.43 56725761.13 64256207.08 51791739.69 55396183.59 74643947.05 54362049.48 58642338.06 49375325.54 73622871.17 70877780.33 64724028.47 59802834.52 65734559.27 73599477.48 89093479.27 63576789.67 93766050.65 73417420.84 64361442.75 60894728.55 82967903.16 68455896.54 75954672.01 55185503.04 63950346.66 57544208.79 51405371.64 49347678.08 54151911.1 63452085.82 69267297.32 64104453.32 50424988.69 93521123.96 65494226.44 82358870.13 84570801.18 88923473.51 59011963.44 56469085.21 65129850.99 84088403.56 59908958.14 69584300.08 41192517.37 66391489.74 58027956.88 49941272.47 59233953.2 LysoPC(0:0/16:1) 14213573.36 13465262.06 12681110.72 11544124.47 18238950.43 14182802.47 14494128.92 17591271.37 10617117.54 9074589.378 11874386.65 9827376.921 12373006.3 12338203.37 15530843.79 13311646.12 11802326.49 9646886.583 12204624.4 13223972.31 14487942.88 13265682.62 858.1320659 13524343.79 21273173.16 12217021.8 15429973.28 14740553.44 15280645.51 12946032.38 14101509.68 16195581.25 13352996.88 12613961.86 11763885.8 15032201.83 5640.882588 8917678.247 13783288.65 9933236.555 19502247.27 19311322.97 21740102.67 27950732.63 13800960.62 23354970.45 14790737.88 12456279.68 11936215.05 8090075.56 10464713.53 12159429.83 9129691.133 10967414.41 9873400.261 15184893.06 21516207.23 20311900.45 17478530.98 14016185.52 17468254.26 9068058.972 18111410 19349772.52 23718490.43 12994680.6 15251914.43 13015564.87 17678872.25 12620626.11 15273296.91 13265032.21 13884207.03 14695525.23 10844470.11 13898989.97 LysoPC(16:1/0:0) 175690917.2 168932724.5 156548249.2 110573036.6 166792216.8 178102264.1 190543866.9 158510622.1 110806719.3 91067930.85 114305521.2 116464322.7 148332145.4 129478731.6 144091005.7 114533742.2 149918608.8 89484538.99 176682535.1 132215863.6 134825443.1 121232649.3 135481637.9 116140969.3 198128923.1 152337478.7 189150791.5 124632187.2 162738180.6 138352114.8 189984095.7 206641965.9 113010510 107760693.4 127915545.4 186330068.9 129383529.6 119761505.6 120069781.4 125272251.6 249102880 233430591.9 271319975.5 241464283.3 179658064.4 194955254.6 198479402.5 166855118.5 116251505.5 108376897.2 125179126.5 104924646.6 124394429.9 83734312.3 126286086.8 128770069.2 253905468.9 195001760.6 210694575.2 136883877.7 145797466.4 127372725.8 155314954.6 159619303.1 223883960.7 177917819.4 186319497.2 161483262.7 174416169.5 174226905.8 147246056.1 147789196.4 131505867.6 128540098.7 140361158.3 116097364.4 LysoPC(0:0/16:0) 838944231.9 726648145 700621325 649558564.3 948811778 809110468.7 879306472.6 955572073.3 800373165.2 603993152.2 663247614.2 772163588.8 720785391.8 546574167.4 829000816.9 735845815 738947107.2 538896383.3 762056420.2 864608114.6 917049003.3 750248879.7 869644710.8 859908681.9 1003507413 678558159 792657063.7 750636813.1 789385934.4 605606742 714019485.4 737845587 715291540.4 783493178.6 697731185.7 956423838.1 934346471.1 727911179 829842361.7 732156833.4 905496389 955099169.4 866192966.2 991352228.2 763067040.3 992822550.7 699844921.9 868037800 697461938.3 690895041.1 688432755.5 689053362.1 735656430.1 632303417 700591810 920833422.7 803578681.3 779903568.8 691067794.5 736279590 941171405.6 633260879 875556779.7 1004738106 1057988481 652990941.6 601458587.9 672968352.9 1150905876 867863405.4 888362069.3 647917113.9 769057315.6 880231358.9 719699966.5 868202047.7 LysoPC(16:0/0:0) 6674658388 6314907670 6971755165 5654500373 7073624466 6502840655 6842155709 7058520234 6339913675 5144543951 5753888848 6864904005 6077057901 5455817786 6511058984 5675055134 6181282428 4561516485 6255993133 6940302136 7250716159 6024032220 7206342614 6284250454 7461749770 5541794626 6758893612 5786301751 6435448059 5238262150 6427321783 6245148481 6041083657 6259092395 5649476245 7364726614 7114450675 6724740478 6080422770 5710817501 7054669783 7634380650 6816606751 6996163011 6002842272 7499821387 5824527709 6814674708 5948814862 6206033013 5774655381 5885517055 5805413901 5707317973 5941818817 6587951528 6596533622 6411524470 6117802205 5216754638 7198014232 5379222535 6958159576 7034654756 7926396822 5557245402 5354543814 5648570737 8257323511 7076818673 6851380015 5561585870 6167679792 6436078733 5712682700 6653598734 LysoPE(0:0/20:4) 64718997.87 93645349.37 76879759.53 67924445.87 57639033.08 47972613.59 55164413.09 43310818.99 44220428.06 46173876.07 75970933.15 43157446.8 54916433.22 56876325.84 66162143.79 45128856.67 45986252.85 41309458.04 45835178.86 37831967.52 58665501.79 54445862.64 72387209.61 42182861.82 38728128.88 34304693.28 48193965.94 38205169.16 48196036.21 52279520.83 59351484.27 73302453.21 34542628.35 40722559.59 30650553.54 66972907.68 46194163.12 88845840.07 50255466.06 63232958.07 51641924.98 87199484.77 47865809.73 47721561.13 56565401.26 64306538.36 65336525.89 61991072.1 34935167.55 66632632.31 51333586.39 38027330.02 47920352.14 48820161.84 61731343.16 44659563.33 45180405.52 62117533.37 78883990.22 37137362.01 56866777.81 55199852.7 72427455.76 55044462.46 62522383.04 58364165.77 53895225.68 57258656.08 51107569.29 45514176.65 54086444.28 36317960.84 29982145.11 37812924.73 29682873.26 38720528.07 LysoPE(20:4/0:0) 99690977.84 97758609.25 164042345.3 117855566.8 130117646.6 106328528.8 150501399.6 136991952.7 84184452.68 88373083.59 134074891.1 86585638.45 143860710.7 177023112.1 142925187.5 150340380.9 98065714.24 104214586.9 110202415.1 95247345.39 143393933 138144471.5 138908508.2 127138131.7 131174012.1 97511399.2 139504761.5 91093937.16 119075245.6 110465872.9 145569396.9 144782868.5 145607835.2 139581949.1 127789261.6 204435772.7 137406164.1 145522985.7 165842149.8 153746117.9 177041442.5 153773677.9 170195840.9 157689622 160099603.8 150521346.3 171947920.3 145469355.1 127752314.4 130620441.9 172831937.5 128422045.5 139846753 121123631.9 158381226.6 154263430.8 128781144 116562496 111937005.6 120314898.3 187522166.2 154619049.1 168353432 175942382.8 133078796.9 136108558 129402502.6 111987273.6 124510473.4 136420401.6 124839515.6 114498806.7 107784149.1 128026206.1 101003492 129269344.5 LysoPE(0:0/20:3) 1030859.953 1907597.227 2406632.612 2231467.764 2022210.812 1642317.649 1537695.095 1886269.742 1398908.384 1649104.681 3061794.412 1123503.978 288074.1055 1454567.438 2081380.187 1511920.113 975250.9056 1520855.843 271041.0534 1476866.469 1352453.548 977630.2244 1772809.155 1114214.326 889044.9381 95625.49148 14694.37847 847256.7197 1430737.156 1349275.004 1117289.984 1544263 1048809.973 1271798.451 983116.8076 885715.581 1137334.721 1117981.548 1331780.427 1238754.405 2437186.101 2628853.624 1377543.446 2178228.65 1387183.085 1832534.192 1908238.816 1042444.574 1240315.309 2095871.234 1124823.234 1006693.737 393021.076 1303544.463 1646382.366 995359.3141 1298544.064 1935402.731 2709196.448 900871.4342 1994254.281 2098521.492 2358885.506 1794051.641 2581993.886 1995459.483 2305662.185 1677850.861 1434620.254 567850.3236 1055008.404 621873.1642 993518.4497 1213027.013 758769.6542 1312137.817 LysoPE(20:3/0:0) 3166752.935 1894443.409 3967864.137 6767802.428 11094915.9 4228301.453 11789515.63 10963616.79 5065759.255 4954886.978 9621126.493 1490896.278 1582992.866 8282519.277 7701605.232 7891158.141 2941579.175 6388693.558 744928.6346 5360175.044 6533292.664 5461486.571 5582913.776 4756912.348 5016924.633 571784.4923 46045.77554 3365366.373 5409681.651 2364878.364 525020.4492 2844939.43 7088524.458 6669682.773 4410446.734 4961413.546 6143152.993 3545032.617 6845475.517 4743309.179 11079492.74 6810950.618 7315342.466 11365248.69 5960909.469 8172874.97 8298888.187 3343237.225 6188393.443 2760612.711 5821790.112 5080868.502 3428706.572 4895893.241 1886413.128 7305636.629 4018578.522 7476325.758 6016159.696 5703752.413 11043298.39 10191937.21 10232021.32 9420848.142 7115942.976 3173934.359 4085969.465 2466210.11 6007748.679 1505793.481 6175215.737 2575859.754 5558862.247 6532105.949 4189144.848 6494137.57 LysoPC(18:1p/0:0) 5129026.128 6087807.705 3891572.836 5679586.908 7283137.409 5910959.143 6380528.084 5637197.936 4331153.699 4056381.471 5132077.72 3555014.757 4879033.33 3592810.714 4825852.334 4874016.983 4468114.212 4829686.194 4007580.302 3941708.676 4979890.344 4536267.001 5493628.436 5478786.561 4840065.694 3635212.433 4058066.977 4041825.146 5096017.917 4212063.409 4650937.752 5740153.731 4692710.886 4620354.642 4186614.692 5862166.486 5531894.622 4325784.365 3613280.086 4284007.916 4723316.231 6233081.353 4325953.188 5195783.277 6039925.768 4623639.818 5071506.267 6197728.235 4784632.919 5798142.998 3843288.577 4391105.986 5141496.556 3503220.281 3548584.453 3658784.465 3443613.592 3791575.726 3342255.977 2782398.764 5477808.131 3414476.047 3998586.697 4527953.979 5851043.258 4895597.089 4239320.973 4688137.92 5530652.602 4342256.589 4610922.603 2306643.03 4736742.906 3202499.989 3587306.207 3339239.675 LysoPC(17:1/0:0) 10664513.88 9652446.038 8865111.697 7425875.307 10917761.59 10866592.93 11290940.68 9587758.934 11210586.2 8132231.128 10647907.79 9546712.611 7073102.558 7044801.754 7224780.196 6411487.585 7453849.563 5821237.5 9977123.254 7404016.092 9360710.655 7557237.396 9200921.367 6352301.282 9208984.817 7010067.933 8761184.018 6259669.012 7106314.073 7683928.737 9765154.769 10221503.34 6244236.021 6364615.577 7999963.022 11880850.81 9257133.809 7917825.845 8618871.66 9285479.012 11963164.74 11801265.44 12289644.73 11782192.21 9984247.502 10739264.69 10584497.2 10690914.03 8023634.612 8195665.34 8825497.73 6450093.187 7976891.375 6231534.978 7474469.955 7011566.494 15004098.04 12609652.17 13686030.65 7914658.6 12141932.27 8206020.564 10780404.08 12192755.57 11508318.51 9461415.258 9957582.839 8698086.014 10712112.45 10241257.16 9228250.038 8562655.819 9407500.059 9508946.142 8886184.061 8308875.915 LysoPC(18:0p/0:0) 43157286.59 47884642.46 26663803.15 46193895.44 56485844.04 43532985.48 47420232.22 42523603.04 25942326.88 23519751.71 35666867.76 24489019.69 39468828.79 29459794.13 36300193.15 39459167.93 32174802.89 37568019.36 29153738.18 30553059.44 34882681.67 32664930.14 34939219.9 34492192.97 30429085.37 24213415.53 22356546.89 30993390.57 35656389.41 29750954.8 30727617.38 37330260.81 32715287.95 34829476.37 28188901.18 41501207.64 46703993.16 41639064.16 35157071.33 37998656.35 42187173.46 50051911.03 34591642.4 47141588.04 37259835.91 32445907.4 32092898.12 41091677.62 34320205.9 35732093.81 26460307.6 29993310.92 33107949.74 30615623.49 27929377.75 29330199.55 30216486.66 38587130.5 32550913.21 24326349.47 50539143.75 34431678.32 42528567.8 41734872.6 43472614.35 33705011.57 33108764.6 33726848.63 41629130.38 31957757.23 42409836.9 21954313.81 36484171.62 32943882.18 29299077.93 33658724.21 LysoPC(17:0/0:0) 49106534.53 57286340.01 42648285.31 42488543.37 60163822.68 50711643.41 56009036.65 45376412.89 66564229.75 50967090.89 66562959.42 72455925.77 51043473.84 38146493.74 45804318.54 36910004.74 43315947.34 25489495.46 41717966.06 32974905.89 60268156.09 35115843.85 59182569.6 35859043.23 45443595.95 41875335.41 46154749.58 36087200.3 43788830.94 42442848.93 53381728.62 52853723.83 32569122.11 35241367.88 34133193.91 73480382.2 45798916.57 55644303.61 36874017.4 42716268.87 74477592 90042177.37 62927104.87 51248834.38 50582314.95 46353109.29 46481949.84 55277478.92 45271876.62 82916819.57 59681623.69 48239659.98 43516118.81 31793883.98 40395654.95 34296826.86 57618018.71 52860459.23 59122421.07 30923136.19 69032281.47 59104797.56 64679125.42 57144213.57 58571624.86 42851292.93 39191676.4 42462805.4 84697444.3 68814666.37 61031598.06 36047981.45 46394987.79 43156627.99 42503070.91 41640505.62 LysoPC(0:0/18:3) 3812519.786 3794412.23 3233940.566 3433839.702 7042951.899 3785307.554 3351286.435 5944087.096 3295880.214 2380979.266 3170080.773 2098630.096 2419709.218 2691239.694 3347412.145 2459913.949 2365688.462 3095047.641 5471596.562 3130025.015 3578767.9 3756674.608 3016745.931 2421884.235 3784762.336 1967097.286 3372518.802 2375009.657 3051385.477 2648780.718 3223120.767 4819862.534 5266465.672 4601438.022 4486042.837 5730827.72 4061002.492 2600263.968 3516398.694 2757716.308 3318855.878 2764072.785 3170484.132 4963864.561 4691308.853 5946834.573 5404333.411 6290586.934 3805583.348 2574384.777 3572702.71 3425375.985 2572517.466 3743630.598 4359444.679 3981824.142 4593482.159 4261887.921 4408502.319 4717406.46 4745471.683 2708961.742 4526967.811 4434545.659 4241943.354 2653365.74 2832246.657 2876422.821 4320487.791 3554767.129 3729968.874 3122662.844 2420086.818 2180344.692 2463852.61 3697243.284 LysoPC(18:3/0:0) 48777159.68 42581938.99 33514319.91 35456121.88 84051283.36 64865324.35 65135453.02 68216519.95 29877953.32 24948186.44 33815112.45 31411910.37 27962321.27 28167099.57 35592389.19 32082902.52 24391604.2 31472180.83 64423992.6 38414565.44 39511575.29 42578038.54 32929444.74 29847379.18 41042667.32 22656990.14 38447507.9 22368310.64 34039519.15 26826354.76 39145598.88 60601585.64 70803953.95 54261322.71 53311221.11 74913138.86 40320315.53 33382009.41 42325687.65 44754700.9 60055295.42 49091659.81 54864370.2 59257313.2 62005187.81 77660269.88 71813644.33 80754612.3 49648375.33 40477944.43 55850151.94 48397272.52 43708106.74 36042861.31 49796740.13 47169313.61 58536810.3 49008335.61 54149241.95 51183801.31 58281265.45 33910582.69 52429345.72 50306595.46 47225203.31 31969555.38 36537880.63 32908998.68 58119108.08 50828666.57 48080861.46 34776055.46 27767405.98 27642919.45 23376010.02 55290005.98 LysoPC(0:0/18:2) 459538108.1 404968378 345847348.3 525113896.4 974376051.8 787899079.7 796117579.1 727421363 334986636.1 277885702.2 374541436.8 386616521.8 486164556.6 502535338 579585845.1 462727657.2 372158229.6 366930959.9 679622057.8 415536371.4 583164913.6 535614908.2 553961050.9 390057479.4 530645679.4 293283826.7 488223750.5 295009469.1 516328246.2 384326105 579830224.9 743600149.7 663791795.7 536803856.7 559625610.4 876559888.6 742118730.4 495914139.6 675652178.6 700734545.1 849953723.4 668328983.1 793758095.9 871698207.6 657679842.5 707751580.7 687154646 687710436 550873951.1 499165893.7 707044670.4 520789626.7 590024764.8 438056058.1 605624973.1 424523738.5 429317221.4 340414241.4 410264664.3 458911954.3 555571462.4 339402671.3 560824085.4 763864402 510475477.2 383959021.7 474678482.4 404122305.8 652477502.3 577034130 533707111.9 574083079.1 464789152.1 398401063 409383028 753082964.5 LysoPC(18:2/0:0) 3530808718 3306668996 3455287422 4202459896 6109847679 5324551719 5589583462 5176238379 2803556831 2398195848 2887282869 3160981210 3674055536 4245049818 4248211098 3528620461 3006499385 3068828170 5008867921 3574311446 4368288079 4033487582 4408354121 3086338693 3978264356 2567278544 4397619229 2652070136 3736079293 3023847844 4618043140 5197041966 4883318148 3909409587 4285879451 5810628331 5207212050 4335386707 4804760581 4904495520 5939751301 4947989947 5414470275 5793365362 4984166867 5271481694 4940079142 5115995772 4055503128 3695950810 5052384573 3812476182 4704848457 3539960563 4679035886 3375366414 3343301601 2756615594 3173516976 3445954837 4298062731 2914061172 4344733551 5260082797 3973766630 3018119800 3846828151 3285613804 4855197320 4445281819 4324745615 4405806804 3372961720 3327287888 3137672768 5130819249 LysoPC(0:0/18:1) 103431298.8 97361290.49 106162974.8 133533618.1 183220489.5 142795280.6 140808667.5 167265203 85186182.75 72085369.03 94688606.08 81670568.65 108629829.4 97264660.46 132151446.9 125215545.5 86804189.12 89635056.7 104189636.1 129939144.4 120536700.1 124476669.8 127544571 115919758 135068567.6 78510525.25 110105765.7 86859357.43 118167045.3 79645119.63 104014612.9 115625291.3 124053955 125486054.9 96503417.29 142680554.8 151421944.6 111594917.4 133912353.8 110739099.8 129481786.3 128386119.2 126485476.1 161939757 106103582.7 152338401.6 103588157.1 122512071.9 12398709.14 85471704.75 81696055.93 95954213.71 95804374.4 89718943.23 98137572.32 118711268.5 97645137.91 96675733.69 84890539.66 101796762.6 129824518.8 80028923.48 120778115.3 142447870.8 154842211.8 104315004.9 111508951.3 102311330.4 124478261.6 103068211.1 108574480 106417576.3 115456726.2 119240943.5 92972597.14 139214888.6 LysoPC(18:1/0:0) 1349505119 1302629248 1246018672 1362037024 2101080925 1694846837 1716306641 1748536297 1031256982 858765685.1 1086017475 1091050389 1254887166 1068521153 1435183904 1229004765 1032665216 878150183.9 1151037124 1170171473 1414793750 1250249402 1425749713 1154856662 1392708776 884229964.4 1234825492 1007775027 1253917604 1036215900 1223663373 1492507651 1192938809 1178726306 1075521462 1812711031 1644173174 1438313345 1333058566 1429661183 1719657534 1840601181 1512516753 1853649845 1376536445 1595471522 1312750432 1577881989 1085155834 1093521690 1060689780 1019002305 1175800972 991534503.4 1115402037 1133786178 1224578592 1135350760 1162409124 1111595467 1498053412 1070167035 1558451317 1564893539 1719256067 1164718806 1323166383 1181059874 1512614099 1212450856 1316085196 1220725094 1221051838 1158805702 1087757183 1444328399 LysoPC(18:0/0:0) 1711248443 1841655166 1476512935 1495641347 1587763146 1313326676 1439524903 1186018701 1238681210 1067428468 1589853609 1292807995 1236574597 969594166.9 1335754764 997434611.7 1192686481 910731037.6 1055088042 1094556062 1273241363 899280896.8 1456090653 1025710986 1355687290 1025271395 1216378575 1081019911 1201648590 1064666247 1283123999 1364590321 966144147 1092917468 915373487.1 1599093812 1255970631 1734254083 1141815308 1287655161 1407259315 1876079160 1160497752 1140976584 1369162103 1569929280 1336497155 1620248499 1024189853 1643638782 1118633379 903168293.2 1046675832 895516046.2 1077143028 1069542706 1175294541 818969433.3 1415932617 709830200.6 1557406385 1292989827 1560233532 1309862594 1926951442 1335353120 1146136479 1242714004 1637878425 1414496562 1385546617 837406986.3 1194016192 1231104807 947449142.8 1107405566 LysoPE(0:0/22:6) 17275078.02 23146166.53 24853708.73 19117800.43 19753920.42 17459768.95 21646394.97 18112776.88 15448010.45 15151446.78 29376934.78 17352401.28 16954398.92 16503134.66 17975185.79 15966965.3 13094226.39 11573027.59 11922759.87 12220482.56 17530838.95 15701164.86 18683701.36 14275314.74 16824023.72 13220188.31 15871240.71 14644131.56 20605029.57 18198373.54 18933417.95 23894121.94 14940287.44 18553759.3 10696671.65 27639593.52 15481735.89 28241152.07 16934095.98 20587720.4 18281472.63 27855960.67 14645998.73 15891187.85 17777304.72 19664754.79 18370356.43 22767213.61 12004360.68 21010078.89 13476310.84 13343630.66 18013548.7 18598286.82 20542936.19 21954046.37 16691484.05 20751227.8 22853711.79 13152546.53 20542828.47 18831733.95 21672006.14 19119047.93 19008910.33 18786742.95 13560544.53 16315136.07 20888655.66 19063540.14 19099077.11 11714468.94 15018591.26 19857193.82 14935651.93 17115232.47 LysoPE(22:6/0:0) 44026637.09 35979334.36 86488341.02 52203359.25 63364356.16 61613935.93 82081309.12 81623537.44 47360193.81 41455068.59 83504738.85 61325635.12 61189310.92 68042006.86 44482289.32 74823263.5 42268409.96 41751166.22 35789302.99 52765298.39 60150327.31 57312563.89 52628631.03 66293696.6 72782607.74 53916586.17 58259975.43 58426248.79 69719651.8 59809805.34 52713292.3 70996715.11 77495430.95 86844456.91 52987916.03 122374597.2 60533157.58 76755948.16 68134334.98 78163609.45 84033408.51 85052011.14 67559319.28 78921974.97 73778135.14 66926303.59 64853486.55 90008873.84 53813308.23 56151753.6 47888017.13 61510876.89 73049465.53 74898531.04 69513505.65 105336957.4 71749941.28 66907972.32 55929012.51 72484048.89 84842224.86 72554989.4 59992324.46 83754010.19 61271345.81 69792715.14 40947230.94 51578181.74 72846508.64 83445200.45 61016518.13 51587804.38 56901685.43 90212212.81 68545979.04 71437321.61 LysoPE(0:0/22:5n3) 3278490.33 4956975.025 3935255.884 3023071.092 1994704.675 1807927.08 1994147.383 1728998.882 2140637.599 2216547.298 3998951.993 2256155.503 1710169.879 1614137.164 1946583.305 1391553.575 1272872.86 1107590.095 1146301.352 1073321.843 2012284.64 1830762.671 2521103.172 1568467.411 1182303.598 1035412.485 1518165.161 1403774.758 1923997.514 2143841.08 2059897.034 2515788.295 1640353.128 2047466.278 1264511.008 3125348.872 1624461.884 3029530.968 1613905.034 2246978.354 2175101.435 4289750.436 1982376.357 1991831.44 2117635.614 2337559.872 2278210.247 2544525.13 1730186.914 3548678.784 2038745.274 1656394.21 1525627.194 1761718.408 2184012.219 1693767.95 2023474.943 2705506.94 3449516.148 1525918.19 2778020.623 2787213.556 3407333.665 2321879.169 2459128.978 2370471.446 1863428.094 2060254.172 2117045.945 1992901.269 2197215.521 1396426.316 1760448.75 2256051.299 1629819.77 1872004.061 LysoPE(0:0/22:5n6)+LysoPE(22:5n3/0:0) 5243761.448 4146113.84 7728846.752 4868895.764 4975271.729 5074852.159 6362543.054 5251026.663 3574238.755 3083298.676 6849205.751 5251705.678 3892016.803 4669007.67 2935496.748 4117920.847 2065847.907 2280259.133 1952942.936 2232355.393 4242264.95 3856247.331 3591141.812 3328838.475 3366932.763 2876512.165 3394080.773 2537950.141 3409599.213 2951863.281 3286510.121 5193229.759 6338576.236 5472278.455 4128966.206 9972116.228 4154437.348 5310425.14 4578399.824 5803908.241 6820886.746 5658388.707 5747493.837 5613261.302 6447543.451 4812067.861 5961269.175 6095535.298 4553021.67 4980390.073 4663240.099 4367678.547 4218726.42 3360581.673 4154486.141 5185213.551 6288649.985 5598326.308 5195987.61 4255112.991 8090117.684 8726537.54 6136335.134 8405628.921 4681703.013 5681281.448 3380588.668 3712353.658 4855819.386 5561255.537 4116731.924 4270799.192 4341344.877 5734505.452 4754627.665 4486277.944 LysoPE(22:5n6/0:0) 4121388.398 3639849.421 8259735.667 5257677.304 4023250.27 2731240.021 3434817.795 4907742.425 1846922.473 2094501.165 4264663.446 2241044.189 5537328.428 7178120.018 5602611.108 6482248.055 3527354.847 4453983.014 3195806.853 4421193.891 7699133.976 6424729.289 5733506.483 5590526.173 4344478.261 2950432.946 3129642.381 3012557.021 3400969.918 3056064.256 3034292.652 3347722.784 5066323.521 5508969.929 3354983.412 6499992.54 4284194.893 4828015.89 5482271.899 3861648.815 5852070.739 5437834.987 4589569.424 6354003.872 6066943.376 5560323.771 5691331.997 5467837.834 5359940.342 4929648.211 4965323.254 4687634.683 3077147.08 3729898.758 3731587.938 5432605.376 4774647.344 5030358.33 4085398.811 4238515.493 6136966.867 4593595.015 5055690.091 4705154.043 5699096.724 5492615.613 4302202.546 3777858.812 4343547.49 4099796.809 4159958.227 3005022.096 2828676.81 3520623.537 2395306.879 4449774.987 LysoPC(0:0/19:0) 31326.98242 13473.96002 9795.831662 8228.620321 161772.7279 27103.11962 11624.75208 7863.444863 41540.7371 11433.03496 2804.243205 20050.1614 2804.243093 11952.39562 9120.257064 5608.486409 9015.776308 8630.313325 19997.41383 5930.043688 2797.511677 2813.053798 2804.243205 11171.32595 8033.860077 8987.373773 5923.95743 12462.62688 24439.36753 12154.25649 12396.69242 14038.96761 2804.243205 6069.013237 11833.71359 2804.243205 10388.2274 24464.72694 9308.931051 23544.68766 7510.44192 7028.613191 13930.42935 9907.413051 16066.70601 2804.243205 6179.580251 9073.595756 2804.243205 14924.51809 32307.88427 2804.243205 13429.32747 7937.494331 2804.243205 28025.18765 10227.95595 2804.243205 10592.11704 9392.109905 7661.58399 8493.372498 11164.22525 2804.243205 10179.26589 13778.27291 8013.572551 7550.002594 2804.243205 9499.625393 10240.77238 8339.166581 28166.18595 26766.3467 2804.243205 2804.243205 LysoPC(19:0/0:0) 10324.52472 13378.27158 9726.176201 8170.182863 160623.8613 20246.18046 9453.320556 7807.600783 41245.7263 11304.7033 13045.43367 9502.671995 13003.60342 11867.5129 9055.48744 8270.900107 8404.878164 8569.199509 19855.39755 3012.956412 19756.68875 3010.749342 3026.866426 11091.99026 7828.883081 9901.254504 34165.30363 25192.4042 24265.80568 3012.942235 12308.65443 3012.956365 3015.360243 6025.961381 11749.67373 3012.956368 10316.92531 16125.24624 9233.836885 23377.4796 8810.744537 8499.528252 13831.49917 9837.053257 11587.52684 13353.58909 7553.793327 9009.15749 3012.957409 14818.5293 32078.44233 3012.956752 13334.17602 7881.293886 3012.956365 27826.21595 9092.753036 3012.961316 10539.75838 9325.409655 7607.17725 8420.211338 11084.94228 3012.963111 10106.97547 13680.42598 12178.72919 14648.31602 3013.001993 9444.226937 10219.40276 8631.467842 27966.15719 26575.32335 8598.225361 8728.154974 LysoPC(0:0/20:5) 5434129.117 5239902.321 4193534.304 5012842.08 6919087.449 6441950.516 6145015.405 6529455.447 7243698.854 6041583.153 7829316.77 5687009.241 3011716.427 2574760.712 3418343.182 3983247.973 2196911.893 1951393.302 2647433.74 2256982.688 3234075.404 1819747.506 2213661.792 2340450.755 4413685.137 2412739.217 3401905.435 3073004.684 4941093.345 3226517.163 4460748.26 6359745.236 4015545.385 2643391.124 2375451.582 4645419.649 4050292.028 2731790.159 3717636.715 3586377.782 2477069.249 2316004.237 2602449.229 3861279.105 4128489.001 17777.58085 3530957.403 5444751.18 4755454.303 3368281.354 3864431.963 3658292.165 2774317.049 2603270.661 3140773.97 3282415.075 6912785.683 6417862.155 6011241.289 5824542.071 7496461.462 4255806.528 6951753.153 7002430.662 6973367.316 4582938.135 4738373.452 4424609.259 4608808.941 3491639.986 3983743.498 2672894.721 4144931.608 3497855.895 2754477.324 3335236.16 LysoPC(20:5/0:0) 44101346.82 39666297.15 30104126.99 33510262.45 50865478.46 52846119.28 52445980.02 44624909.05 53074422.57 42170065.6 48170290.56 45803941.37 22953072.55 20270008.29 24898579.77 23878274.23 14676963.08 9895091.515 21286071.93 13983498.07 18322892.84 14685015.28 15812250.36 13508168.07 29275146.64 17609446.42 27331110 18614101.09 31688754.38 23296407.69 35587090.75 58034651.77 24574965.53 19343270.19 20780919.25 39186111.57 25447747.98 21424370.08 23084837.34 27815125.98 23933518.83 18803973.62 21549152.04 24854492.59 38088460.89 31386947.95 32455297.01 47385633.93 30856683.23 23841133.08 30142732.9 26269128.16 23784901.39 14426726.64 21976445.41 25923853.54 64508552.76 47532781.24 54318537.34 40082881.8 52392971.9 36340752.05 48826146.47 52835439.32 50832867.95 37122657.05 43002115.96 35206197.6 29670109.16 26887371.01 23024209.11 20519161.53 25394220.52 20272638.5 19967046.81 18419443.88 LysoPC(0:0/20:4) 85861738.57 663090358 74174718.12 173321064.2 84232050.18 476820770.1 520639725.7 79267844.91 85652088.77 50384736.44 81240140.9 525440336.8 686593799.8 645693104.4 128899647.2 75904351.2 453174557.9 45805112.65 87536252.53 50551017.64 176056286.4 114680012.8 149142274 66033124.54 163932263.5 384107198.3 673887880.2 92246239.76 98990256.91 73715397.82 740816642.7 718369630.2 74667070.92 74072248.9 60841164.29 974187536.2 103312358.3 529400382.9 152297730.3 643813462.2 647376388.7 489371542.3 631581047.9 80190434.04 683289469.4 150478872.5 87430958.68 781734109.9 86170873.8 609031705.4 652076030.9 63876565.63 68896545.77 72468472.11 55474504.24 61244661.67 88668429.3 88624506.61 105604373.2 70922093.01 175247204.9 1270745705 149178369 143018596 145558263.2 624530967.3 698767745.8 642515840.3 86734651.58 78967351.37 82377674.66 74496986.54 74953812.74 87344939.09 420455498.3 60393325.07 LysoPC(20:4/0:0) 780191817.8 783080771.7 721909079 785634778.8 757233243.1 758457577.1 749870104.8 735379331.4 633401755.7 494000463.6 664848789.4 690585151.1 918295777.3 768850002.2 855661575.5 823225611.3 611114100.5 461173478.7 670534962 563284996.4 943375355.9 741236816.5 875415053.7 696364214.8 813726314.6 538050162.2 826205827.1 573411206.5 984976461.2 806731418.5 877740662.8 919229470.8 763937367.2 624643929.7 613078963.6 1052609263 940826195.8 731562164.6 709162560.8 762307814.7 777174608.5 684789645.8 665812188.6 798605273.1 900229156.3 905582804.3 781981588.8 928020915 787057950 741945411.7 755764200.9 649787628.4 646250494.6 464056273.4 577679413.2 560091123.4 908006191.4 771348917.8 841080166 764002691.9 985172953.7 669424812 901196612.5 1046058443 1018770005 800409786.3 893429692.6 782921871.6 869835233.1 777151077 702896015.7 700866641.2 483132309.5 430492740.9 483709515.8 589916558.9 LysoPC(0:0/20:3) 18949103.6 19933297.02 14195130.34 16378481.39 23817550.66 20975110.5 23018108.67 19660895.27 14278601.34 11201993.8 17512127.01 13330813.44 17833348.63 15428892.14 16285364.11 16268012.59 14236113.53 10586463.2 16437699.37 11335120.28 14294324.96 12160373.89 13411022.57 9650144.063 12508736.67 8896898.761 11209534.79 9053741.047 14432469.03 12206221.3 15201067.97 17484143.21 11976175.5 11729036.87 10481778.74 21079635.55 13508744.9 11055851.87 11242367.9 12873868.12 21430987.75 19026678.44 18949217.85 19880009.76 21753177.16 16546722.2 17880935.79 21562863.07 12933899.93 12903445.36 13294407.18 8426326.343 11364249.58 6836660.062 11194406.06 10100908.27 18538274.05 15679667.8 17450290.42 11173562.76 21292953.56 12926784.09 19733060.12 19612311.06 22909141.59 18759663.09 19319064.48 15974713.85 15147001.83 12717480.04 11154496.22 10699323.18 10242327.94 10175578.78 9367820.409 10904403.8 LysoPC(20:3/0:0) 196776186.4 185002372.5 139726210.4 172557561.7 245407110.9 204798604.7 217745572.4 210041161.9 147183498.9 116493361.1 167995832.8 129708405.2 180557362.4 147649782.4 179042809.1 167200132.3 139506264.9 117962429.5 161429642.6 120824471.2 150152874.9 130723783.4 134908410.4 100288833.3 139676046.3 78227511.37 118087678.5 93420678.19 157654297.1 116726276.5 138543752.6 169343859.3 136188881.2 122440617.4 108592825.4 205599056 142640477.5 108184174.7 114215463.2 121416859.8 208685413.1 188277277.1 171269731 215810522.1 212437032.6 191017456.1 175297617.6 211826107.1 144534502.6 123557350.4 125863114.1 88167191.2 99674457.23 69064813.36 97289310.9 104645023.8 196552235.8 175168591.7 174149649.6 132107986 233063551.9 136472697.1 211678883.6 211569566.9 253950835 179386919.7 197778479.5 151031324.2 164591835.4 126349594.1 128720554.1 101211663.4 104874967.2 88969179.25 93099615.65 111991656.8 LysoPC(20:2/0:0) 19490804.67 22338168.37 14137113.36 22894830.72 33025442.86 25821643.08 27862216.74 24525697.72 15970844.52 13810443.81 19307311.68 15734849.72 18413467.75 16240864.39 20539852.16 19335364.28 13641173.48 13359457.91 16291747.07 14224763.8 20136391.22 16876578.23 21236376.05 16083944.58 16079327.88 11228211.9 13823398.4 13325438.94 18545140.82 15021412.4 20141019.16 24104015.56 20699668.18 20103868.32 16658978.63 33043310.08 20277299.59 19912382.7 16500619.99 21052316.09 27793769.29 30068262.86 22561456.32 29937636.57 21307268.69 19433479.43 20067071.98 26367465.11 18853424.76 21336764.98 17184135.17 18061203.04 17081692.95 14800393.74 14172935.66 15313632.21 19030750.29 19653936.8 20748805.3 14570055.52 29021196.25 18795721.2 27427712.44 26892309.28 25311743.46 17354344.27 20274034.74 18416672.77 30740904.94 22234228.89 24060384.05 15477091.59 21608524.81 17176488.57 16575652.24 21858110.52 LysoPC(20:1/0:0) 9531468.541 10771458.86 6391807.393 9083341.411 13599430.99 12341646.05 13091116.92 9352818.656 7587462.798 6949965.199 9055062.98 7454346.458 9697425.554 7674180.582 9891973.233 9050338.893 7330426.617 6551346.759 7726397.555 8217842.295 9268503.938 4520408.494 8346802.195 7494792.541 11512109.52 7236524.245 8472156.761 6491494.461 8237740.671 8469415.341 9011335.736 9801834.326 7286011.298 7781363.789 6379374.099 13218859.75 8634858.427 12385043.54 8342865.369 11847060.14 11526177.5 17685895.68 10170724.91 10238282.04 8852879.782 11379897.73 8073817.058 10657390.13 6682984.165 10044889.2 6714961.112 6626276.598 8692358.418 7125359.419 8466291.767 7367264.143 8233886.747 6916728.152 10020715.73 5068710.418 12052673.94 9063510.352 12729642.04 9468270.422 11779966.19 7944374.518 7984661.334 9165688.357 11362108.85 10679775.38 11356663.83 6750525.202 10662642.52 8772648.533 8179151.424 9093937.016 LysoPC(22:6/0:0) 122911767 126385784.4 124431480.5 122190580.9 176800202.6 179654116.2 182793030.6 168333193.9 126711221 112555009.3 162500311.4 143939531.8 169036013.4 161583556.3 146423325.1 152801509.2 136397383.8 101499726.2 145626072.5 103019912.8 153988104 140169939.6 129961633 106281281 219400310.7 128978807.1 185359044.2 126830014 213882672.5 176105637.6 172767625.6 189334731.7 183138506.4 156038023.8 132959679.2 242728259 207489149.4 145961592.3 164683068.5 160373725.9 185955617.5 156185391.4 158412864.1 180444137.7 196220143.3 193617714.5 166000272.8 210871728.3 149335383.7 122241076.8 138163982.2 118723093.6 145210117.7 96592452.84 140539696.4 145698625.1 188819430.8 165300667.4 167968001.7 136659256.8 201035888.6 125013428.4 185819576.9 193554463.1 195382663.2 159312364.9 161447219.8 140459516.3 220892236.4 197335466.3 163305410.2 139524546.9 133509008.4 119622292.7 125699650.6 152698498.4 Dodecaethylene glycol(PEG-12) 3200131.349 2723217.954 3093737.416 2913486.326 3181739.253 2840756.903 3081819.467 3089632.805 3049168.79 3019690.899 3169192.826 3052525.868 3054789.675 2879831.295 3163096.852 3249463.424 2918205.97 3078820.547 2996098.988 3216615.427 3006321.724 2981318.815 3113082.749 3057459.825 2880004.655 3155541.821 2997952.453 2974179.845 3207524.478 2998859.431 2913577.461 3073296.013 2958525.173 2895871.555 2956161.665 3079994.428 3148992.233 3057429.192 3054801.838 3110963.881 3030208.154 3052871.989 3120256.607 3242945.153 3159041.324 3289243.015 3079847.817 3247614.521 3118483.89 2974763.25 3074885.146 3096108.008 3187821.176 3027877.702 3151053.814 3225692.832 3090615.412 3058176.461 3119671.587 3313866.878 3126278.12 2979677.885 3087738.902 3166870.983 2907369.24 2956612.445 3059382.017 3045652.749 3102894.61 2881715.623 3056618.477 2914293.034 3150687.483 2968318.181 3129557.241 3127512.176 LysoPC(22:5n3/0:0)+LysoPC(0:0/22:5n6) 31788416.92 34006705.25 25487936.39 30223066.1 28521308.94 27476295.81 28355192.46 23906000.68 23562492.32 20487570.69 30921858.14 25196907.74 23069147 20375146.32 20726787.21 21967213.56 15375048.02 13150601.54 16985367.45 11633702.22 20031416.55 17689544.14 19289696.16 15626634.81 17086759.4 12173251.73 15352734.68 12834359.74 23870590.09 18461274.83 20719085.29 25839864.2 28253686.31 24630850.19 24292222.12 42021730.39 26513994.39 23606511.13 20471720.04 26080978.35 29581024.93 24797173.74 23113660.87 26445861.53 37227682.47 26825020.26 28113759.33 36639958.67 31236979.36 27878136.77 26614230.54 20810880.68 17473634.9 11708680.04 15977297.67 14426916.68 36580336.77 32192647.7 34522529.76 22715782.34 43659188.17 28212041.06 37557091.8 38023299.62 36031361.56 29037123.72 32052512.74 26284121.66 31080397.9 27114226.26 24320442.56 19755376.86 20993394.14 17151301.18 18929987.37 22358834.87 LysoPC(0:0/22:4) 62115.53784 89477.16586 63322.34206 92645.72067 341600.1982 112947.5289 294453.8021 167878.3165 329452.2 270001.0892 414614.2165 462263.114 227461.271 360200.0142 248081.3921 501476.8594 83695.28706 107604.5787 179163.9152 196081.6224 87529.55863 170951.6142 238749.3333 82249.67948 253961.4692 79635.18688 45798.05026 284126.4508 79927.8234 93326.40478 160659.1202 514658.4024 53067.72963 187745.0096 246740.3728 61872.11422 761203.3048 197779.8587 403256.7997 71392.83043 199099.5195 39844.73682 78531.69315 69415.08348 24943.96207 176703.0354 226420.8248 102093.9118 240709.4364 71410.17984 166766.5936 363443.3615 103019.5739 671302.6219 137241.0762 647951.9986 17316.61346 1062239.38 345073.8284 456936.8722 301420.3397 82123.69511 817849.5791 217498.277 553086.0743 45556.7913 103297.7213 56185.68573 1322561.422 133462.3826 347255.7482 113534.5516 330617.3756 434031.2198 92007.46957 367151.8861 LysoPC(22:4/0:0) 13591084.95 15191235.99 10558176.79 12987046.59 12603905.32 11241962.26 8846709.265 10728507.49 6782338.241 7228715.109 9756237.225 4473780.302 11246309.61 10057997.72 11933337.78 10991708.12 7157313.914 8048943.79 6261755.36 8166006.632 12304341.79 9043834.965 9161439.387 9051682.843 8724103.817 5246632.376 7003794.316 5521206.652 9866888.572 8509306.33 8787903.273 12097000.34 12112835.79 11556399.54 9002503.576 16695548.83 9957740.593 8752541.086 7308583.096 10241761.08 13504885.37 12115353.14 8694635.411 13522517.7 13785364.61 8373012.742 11389356.2 13872072.1 10325581.65 10383605.22 7806154.93 7284735.578 6580007.064 5274364.637 7067419.14 5910612.978 12519070.05 12160714.69 13215313.4 8265080.403 16333092.44 9393333 14042545.16 13781347.01 15630074.31 11565020.76 13158756.77 10567577.67 11608237.6 8698520.343 8634410.552 7092583.61 9875603.794 8012177.299 8229580.143 9341549.364 Pyroglutamic acid 102244168.5 123127836.9 112325084.7 168020477.4 98606028.92 99730937.56 98893460.21 94102945.6 183399986 102027058 94990935.03 95966340.28 121465213.8 100696260 88168534.27 94854654.64 167896180.2 117167607.1 85334470.04 88823467.05 108115378.4 98283129.92 82187061.24 89206912.64 90647673.32 87681582.86 91100925.66 101351377.9 83982926.26 95370628 79410008.48 92966607.64 106269835.9 127963260.4 114006667.5 95372519.64 87559444.46 102602262.1 97047465.07 140854116.1 113422743.1 110098441.5 97882563.12 99539218.28 105500213.5 104913517 101060891 99894988.2 164833556.3 104839378.6 95400169.65 120883368.4 91252677.17 103193021 103696806.1 77459786.02 96114334.05 105376846.1 142805141 89467300.62 106554320.4 111582639.1 100633009.1 97490326.74 92305545.41 92743744.53 96492397.28 85863465.7 169080019.2 98074311.96 105320255.4 91002557.05 117925682 92750988.05 97514165.17 94949550.18 Biliverdin 66297004.48 83117287.05 67309778.35 53581145.51 46450619.45 56339859.09 58227151.49 71235014.51 31603235.76 34872734.33 29126478.05 44905521.33 26480893.65 24499351.39 13699791.34 23089642.34 19941823.52 13086560.85 11904625.15 17867960.36 23001750.2 23990084.58 20329692.72 32481986.98 18263845.48 24496436.19 21127228.1 15900232.96 31569233.97 35475953.35 27635252 22243575.04 43739091.46 43129029.84 44079608.53 51228998.74 31020349.26 32885022.15 27103859.8 27810726.62 22213737.44 31197791.4 29471754.39 20758502.84 26098614.11 27673434.57 23506743.91 39376788.38 57512765.67 60228900.52 58844620.97 53944569.56 24393110.42 22003723.34 23520288.26 33798133.61 24642737.47 21296170.04 18123314.89 23620704.17 22979261.22 30365553.83 18228764.53 19314656.67 35229172.4 44133965.71 27291901.58 40210436.67 32352785.62 43365776.65 34673392.15 37470382.43 54910558.99 60963241.75 58790329.02 33957485.51 Taurine 38265680.03 77291294.65 38749187.68 18567178.07 56091203.86 79510426.5 39642953.64 22414634.31 24518976.55 41270053.45 34204811.69 27999859.62 14034917.48 26246045.41 23161807.47 20128042.02 13211530.26 31261825.64 19865812.93 18873434.35 29329850.79 35764309.69 24013606 22927164.56 23389676.11 38127548.95 28120126.84 24685027.52 29378429.35 38264892.44 32281794.6 29647124.77 25439690.93 21198384.63 22484783.86 32466259.77 26577795.08 33374588.5 28633992.6 22751675.79 29223764.96 45743116.43 30298738.86 26811176.1 26904898.73 35452824.19 34285754.04 27699247.86 20970768.5 33150993.87 41899920.13 23331897.83 20213938.04 25033757.91 32867005.64 19912329.76 38020818.31 47089583.19 42414347.86 23246183.35 28688819.39 42571214.54 34521576.46 21121354.5 19491458.29 25876362.95 30530374.71 22024228.46 17752807.41 26261588.44 35264374.81 22809388.25 23333428.65 27781750.45 37367231.03 23109289.08 Thyroxine 3072874.686 3602263.36 3464043.826 3275014.893 3313212.731 3433739.468 3381336.66 3261141.682 1578010.469 1593921.122 1740210.298 1598121.677 3479639.808 3438993.873 3269940.583 3507991.823 2921644.813 3151484.939 2891227.99 2617841.281 3255545.778 3310432.152 3412781.222 3539567.726 2425475.654 2376218.828 2362154.637 2410786.08 2245005.166 2322505.158 2133592.001 2529615.773 2322623.912 2238315.943 2406477.668 2631131.66 3149746.328 3449169.21 3238286.507 3208900.434 2953414.665 3300903.967 2990705.103 3067094.843 3586466.502 4156987.958 3896528.811 4065938.332 2629228.793 3010130.567 2652587.467 2941605.613 2489267.686 2613944.512 2465025.19 2623073.916 2335070.209 2347076.179 2267735.637 2567529.616 2556981.226 2592762.632 2314510.745 2477622.897 3540282.169 3777015.353 3336515.174 3536668.403 3112423.234 3072264.148 3134542.199 3050454.906 3189155.351 3533006.152 3162260.915 3473916.339 Hematoporphyrin 2091370.745 3271325.694 1443826.165 1629313.699 1191967.264 1214872.45 805853.6112 418472.2756 1106557.981 2016738.994 1143161.481 1181170.653 385431.7623 722670.1138 174745.968 351214.5532 168343.1482 629221.454 89554.625 118548.777 494415.6679 516044.9749 191824.9251 445338.9259 308186.9495 385087.2388 169082.2889 406891.3809 684371.407 1430346.813 248364.2695 400427.2216 1152104.005 970763.5617 1027606.071 694168.7225 472065.6055 1079042.295 271787.0771 693602.3546 746940.1033 795098.7549 306596.212 348780.398 1106478.425 321962.7754 530538.4914 864454.6498 974668.051 1545573.035 453996.0157 796907.2473 417728.0232 380309.9153 145979.7944 252509.0994 478775.7714 591932.1591 274673.0998 232272.179 832650.4563 1403834.866 413907.5956 332698.2075 199116.1452 480406.602 288407.0104 203163.5288 681770.4627 493531.3909 391308.05 527343.7266 1595613.786 1085437.959 833665.9557 593248.3304 Tetradecaethylene glycol(PEG-14) 3399434.168 3067112.336 3921378.699 3346185.636 3268561.155 3003488.817 3235662.474 3610742.212 3180105.266 2960226.731 3425169.391 3394642.809 3296546.033 3234323.166 3198231.026 3301588.264 3334198.499 3198153.79 3288805.512 3631289.405 3052453.037 3520382.954 3550527.99 3286679.561 3280546.659 3526505.226 3556732.45 3237939.321 3091441.785 2980213.07 3473064.428 2919430.992 2974742.001 3200532.722 3153004.239 3273051.977 3512433.856 2930693.005 3445254.247 3394631.039 2824879.345 3192361.973 3296180.305 3197632.867 3168409.287 3737040.118 3003278.431 3283212.645 3187001.305 2980288.923 3307047.53 3146963.693 3363054.519 3119825.376 3290442.268 3501494.533 3022716.36 3014707.938 3113878.064 3488350.219 3021822.031 2955449.877 3073572.362 3174982.3 3340940.675 3332439.704 3047380.614 3213246.878 2903477.935 3215000.255 3238304.273 2854076.655 2989414.472 3437142.31 2949353.221 3338615.617 Trimethylamine N-oxide 3038997.318 1672637.121 6687643.49 12444718.34 20432276.02 19215819.08 16767442.1 7274311.515 4969932.065 4331966.534 2634314.627 971466.9915 3097413.532 4816882.829 5860136.753 3275336.742 7126513.378 4187976.697 4527651.551 1603040.401 13016435.54 11536048.5 10347003.17 7720661.063 8122599.93 7327725.155 6959284.749 6854051.323 3477308.882 2718026.154 14065906.32 2724400.835 3215476.269 1509650.252 1659302.799 2105039.548 1775279.694 3175385.189 2963922.188 4004163.302 7928894.357 8902081.413 15793252.74 25333576.23 8059721.909 8892838.9 13064595.48 3013519.701 6007572.29 7949742.61 9793493.659 5290487.665 5026336.168 5031402.862 7272968.49 8307425.252 8857505.498 16273918.25 13739278.39 11386936.6 4612135.487 11689060.42 11257668.55 2474114.952 3242845.717 2779603.302 5191146.984 1040035.511 3194581.961 2518998.193 1503944.82 2208552.504 6244341.225 6142823.211 7214513.908 13394456.58 Human Fibrinopeptide A 718129.6831 2714129.745 58458.40554 62390.6145 372273.0449 509930.629 13395.54465 1914.585115 879187.9614 1198568.168 38319.53294 33564.48061 43112.12716 32265.16052 8949.671993 22879.86389 236712.2038 815599.3742 15236.78554 8996.220218 304076.2112 145370.1056 7689.766684 5397.524999 75198.13767 39684.45536 19021.6734 14293.81442 87856.15361 294923.345 52075.05053 60063.54442 245533.4555 11374.31729 4835.843339 43751.96666 64879.79651 262787.4851 33559.20116 28477.16888 12951.78491 58850.40322 9832.019451 33244.73774 108960.0843 367317.2455 30359.78652 15836.90862 32021.04148 841312.6124 16448.07378 3829.367281 237428.0122 1789588.907 173402.4809 1911.593647 30596.33777 65427.15017 10997.48206 1913.736343 46098.99931 203971.2172 25527.03768 27807.90941 23010.334 30786.99578 4446.907062 7830.43531 31082.13242 29480.54228 25877.26293 5333.39214 23238.14316 15154.03314 35090.93575 37133.80702 Human Fibrinopeptide B 92369.74881 452725.3082 36490.76508 22367.49833 49549.566 175056.6627 50948.52275 19178.95601 55509.16666 60615.87189 23745.21371 13536.55149 40322.80049 33198.83768 35899.0715 5328.660282 6608.15945 30569.3382 22289.06696 30622.10885 45973.10843 13429.96789 8319.639373 2663.182511 12567.03365 2643.244827 15335.7546 6942.747947 9995.469002 25247.46421 13283.48692 2663.255778 7044.233896 23883.31297 20704.78443 12495.01631 23885.56057 410836.3216 6085.414321 26414.01012 71986.7664 94669.8508 24265.05077 27338.30242 115169.1737 77810.27228 27448.91404 5884.382038 74163.79459 425106.5786 13035.82656 57745.70107 20829.4106 42856.01669 48703.0063 37451.91727 18743.51292 2663.182511 20445.79464 32777.80535 66687.14925 27496.34894 35439.97981 30872.48292 23293.8649 60562.69972 30759.08434 29811.46918 7176.872308 21652.39238 12544.75235 10372.04057 17493.55528 2663.182511 29476.39005 19749.7838 Ornithine 5300122.005 4215951.224 6108096.667 3434602.885 3440427.772 3935342.28 6573499.156 3566475.856 5770404.641 4589202.209 4056890.738 6571826.684 4680967.004 5252161.671 6355211.756 4646781.798 4452901.347 3611138.232 4915375.948 4756342.942 5103148.785 3905256.009 4782086.915 4767785.267 4950654.033 4055314.153 6482970.667 4353523.924 3988916.666 2964828.955 4580310.955 4985342.95 4396883.044 4101064.393 4594675.846 3922948.625 5641023.101 5438390.139 7409932.088 5351731.021 6603081.829 5551440.985 8918047.831 7200836.724 6016005.724 4809772.44 6610354.105 3842691.156 3866179.478 4357137.945 5303772.779 4541223.33 6415012.055 4285298.765 6648464.67 3935828.459 5225676.715 3631801.188 4915598.574 4796758.289 6242913.876 4798300.601 5856264.944 5620367.633 4788662.018 3584881.125 6002826.804 3972304.533 4604361.448 4217484.407 3974240.954 4230374.656 6121494.299 5597611.11 3941742.489 5721963.406 Pantothenic acid 6840655.344 13662271.68 6517305.371 9221917.998 5167968.361 7392459.361 5023315.261 6300140.225 19844756.21 21563807.17 19632315.73 14220526.17 7037750.906 9619224.174 6997918.334 7040595.681 5257261.573 8244675.088 4972393.816 5907632.839 6609586.047 6885368.06 5321597.674 5527448.127 4922136.976 4193605.706 5117405.579 9060224.747 8793741.548 12091535.29 6413013.47 8810798.182 7957373.937 5520304.767 6557767.314 6863963.583 5539452.635 8597720.269 6039601.801 8161082.967 5183078.617 5077667.072 4337615.985 6234323.748 7738635.099 7451401.76 7322876.466 4662457.233 7393301.59 12262448.04 7935043.226 10457039.72 6144839.346 9133943.503 5652666.178 6134394.833 9372105.054 12006943.43 8139472.948 9992534.177 6584345.817 8584299.018 5694754.706 4941976.872 8193467.297 9338808.277 9526021.316 7673006.192 4892724.843 5467366.615 6436158.25 6585783.332 7854139.836 8031352.619 6668469.289 6928183.338 L-Cystine 1922044.6 899539.5609 2842188.688 1652179.619 613354.4212 1663674.107 1257454.483 1367691.366 2208187.574 2693867.422 2104275.329 2218798.497 1731508.207 1623918.694 1545550.365 1141871.51 1788856.682 1535040.192 1284539.689 1312681.359 933175.4355 652284.5698 2114701.595 3385950.113 771873.0253 1821686.769 1168312.113 2166027.661 2089215.868 1572410.199 678422.1935 1555864.176 1134349.562 1971811.646 1000906.596 1399893.902 2400557.569 2073102.962 1532911.659 1256638.17 301677.9446 1409882.393 1236200.905 1556927.486 1878679.807 2861662.632 2265862.37 2378349.372 1851647.845 2225466.615 2513738.156 1155251.164 977321.5352 1984030.881 1021149.661 681555.4509 1707568.015 1085422.093 2365096.646 665736.7696 1829963.32 1427584.769 2657357.418 1605228.288 2796591.847 3290722.749 1818527.574 1567813.877 1880138.722 2497465.245 3577968.398 1132582.965 2192848.937 3216639.879 1501109.428 1495572.529 L-Aspartic acid 15717014.75 17345420.55 17735132.36 17914065.97 13387334.75 14663315.09 14757054.45 12542733.11 16138874.24 14934426.27 13099652.93 12825436.99 18998476.14 15959900.1 13256807.03 11239513.66 18882631.89 14690807.3 13678998.03 12500699.52 12684574.14 13203173.37 13692602.85 13327015.06 11113281.04 14176964.7 14534617.14 14278103.07 10110336.85 13422295.19 12228183.98 12048249.94 13782144.47 16839603.86 16038243.26 12990515.69 10415217.17 13849685.75 11303301.81 13863634.88 13698242.35 15858960.94 14869655.93 11655957.14 14217112.47 14588873.07 13814767.14 13540332.48 21616896.06 17708261.31 14524204.95 13138817.14 12754971.7 15462621.33 18581643.98 11807530.18 14365853.22 13395285.61 19811314.01 10774881.11 12715256.1 15193043.62 12253482.58 9733084.406 13157342.35 16401811.27 17988374.56 13468579.06 14723066.38 13803222.43 12417373.03 11887085.48 11870769.38 12557994.28 15352531.44 12181468.92 L-Serine 1926435.925 2231401.157 1943981.688 2037497.228 2290791.979 2377917.742 2340940.4 2227047.488 1977066.946 1678947.805 1619101.352 2979231.423 2468671.262 2128657.166 2981548.035 3254045.415 2909165.922 2230518.73 2708828 3220834.841 2467450.755 1852774.458 2097011.294 2592403.341 2672173.62 2735907.368 4063110.787 3585400.377 2468764.503 2057934.012 2324314.606 2374951.325 2703735.717 2450067.228 1951038.238 2893149.427 2233205.746 2128998.171 2193175.648 3034218.639 2483142.878 2375988.513 2524551.598 2917401.911 2544484.075 2026115.681 1770384.786 2347245.22 1791951.614 2080772.346 2151611.661 2125793.444 1657351.405 1757297.357 2516861.599 1819180.699 2023534.246 1723574.79 2229543.258 1790467.136 2633508.306 1984490.679 2347802.745 2334797.996 1777308.656 1337334.031 1938230.53 2143660.195 2080748.442 1988042.497 1964744.685 1741100.333 2470260.761 2258315.192 2016211.924 2692363.881 Taurine-D4 12778304.09 12051073.45 10846645.41 2170111.592 14032972.02 13899935.85 11934836.69 11297846.89 6605871.914 12900110.13 13630436.24 12441157.39 12521616.37 12061422.38 11093478.42 12596525.86 4767754.609 12719011.15 12306343.24 11601304.35 12625839.02 10452849.46 12281931.77 10858929.34 11540591.02 13967692.51 12593349.75 13376140.53 14516289.59 12613738.56 12859518.42 10573156.2 13169540.62 13740758.89 11153903.92 11614026.75 12473296.37 12969098.31 12620940.01 10390069.74 13678145.6 12031573.31 13270274.19 11823746.27 14862009.29 11756056.21 11445220.91 13817956.94 11501382.36 11648834.55 12884496.57 14047965.91 13032195.69 12707307.37 12923432.62 12265260.26 13085713.87 12495536.32 7711446.828 12425263.36 12579954.94 13606272.41 12632907.63 12907286.55 12321055.8 13178211.61 12637183.13 14015955.9 10776036.07 10935467.78 13261244.62 12732236.93 12077504.59 10159517.58 13816294.05 11605584.46 L-Lysine 44167978.41 29704698.42 40268210.68 28148140.37 19969908.44 25162207.08 46941569.96 30198722.64 51436017.78 33188899.52 28664192.05 69414162.35 57144072.62 49762594.25 62121733.14 49651711.16 39178337.45 28811260.12 34890571.1 40319346.1 49998957.67 25239941.22 37035372.38 54044791.91 55059432.89 35633281.27 67721238 60833432.02 52345871.53 34616280.25 49279813.16 49958645.82 31891746.79 30171014.23 32427940.92 36840533.12 37411069.82 33431441.52 38056174.37 44699580.87 48665049.42 32528605.48 61915159.63 53527346.62 59670350.72 33097542.64 48148926.14 39419271.96 45759677.64 37600132.58 46749924.27 49296588.4 52780230.53 28830537 61137081.18 41101220.38 52249968.92 26468688.95 34862442.58 47698028.41 59641740.25 37902573.88 49404725.46 53882937.76 37089502.29 23878857.13 53616111.28 39773457.65 37141921 27854440.39 26049245.41 36340643.45 45988440.73 29107398.14 26207135.39 38033659.37 L-Histidine 97100996.24 99483570.19 96424935.11 88588912.47 26720766.4 28471545.5 34513950.13 30268140.82 153719183.2 136217004 132274572.2 128611225.7 74031120.84 67447029.25 73734131.6 63857497.68 51296672.22 48180861.46 50299603.09 51305324.91 93095744.62 80934314.5 88601293.01 77756015.13 106717044.4 99110156.09 102554905.5 106333826.7 132638421.6 139340530 121792136 112027687.6 33726995.64 38028254.57 32581327.48 35173740.28 142652606.9 146870255.4 148545706.5 120955111.8 117500505.8 103239522.5 106506180.2 101454717.7 92375385.63 85250196.08 87448572.34 77731396.88 85204957.76 83063739.98 78803236.19 74633258.75 113308268.1 106066729.8 111098015.3 101032409.8 127943887.7 122164638.1 125050913.1 109767199.9 97842221.58 99919417.61 97966937.28 82941772.24 114440271.2 97265497.62 115994694.8 91421777.03 121743801.9 110265511.2 113646458.5 96932073.93 77269437.74 72319024.28 73319134.24 63568419.46 L-Asparagine 10959121.57 8873646.226 9495261.746 7466374.603 6962931.941 7812237.957 10177462.02 5897299.082 9233982.956 6958026.946 7218649.951 12928310.27 8022926.567 8760514.043 14011399.65 11238887.32 8500164.759 7557379.679 11278217.69 10508354.12 9431821.773 6471645.068 8974164.779 10842029.79 10987928.39 8750891.4 16728658.25 13166382.18 11822155.24 9539991.51 11592786.96 12630128.08 8720563.333 6252911.922 8871132.664 7911197.556 9652830.249 8591291.099 10103209.67 10357535.07 11868616.65 7256313.728 11646427.5 12664293.4 10491839.53 5967521.646 8040987.739 7464845.974 8237258.581 10134877.43 11783941.42 11477321.41 9207890.019 6442218.698 9623090.858 8438262.909 8418028.413 6308331.595 6790188.874 9106571.466 10311736.49 8833301.107 9623394.731 9572704.601 8084753.171 7229526.817 13182932.7 10723227.55 7540273.474 6397331.527 9418669.221 8153845.429 9479949.715 6386265.409 8074506.479 8999035.875 L-Threonine 18038766.34 17258611.65 19913275.29 17149376.83 24183889.03 23465533.54 24328731.18 19606298.52 21623942.91 15674567.95 15393607.84 22316769.82 23267543.11 20054691.37 27008915.43 25537178.94 19031733.75 18567867.22 20399747.96 22325710.38 21557759.53 14478089.33 20424583.58 23935125.74 37968809.08 26254606.14 32787144.05 29988541.92 19555081.37 15862467.39 20665686.22 28430302.95 23022512.49 19785994.13 16464104.85 18995064.63 19593725.25 18059771.74 24219790.34 20151291.38 22337085.29 20003786.46 24866089.99 28525519.77 21924465.45 20253246.74 20753954.6 13656449.73 17381804.85 15780030.65 16041874.62 17811150.07 20053694.21 15886585.7 19149430.36 14968936.5 19782603.4 15817962.29 15304061.35 19589423.26 27077984.13 18995977.64 21154085.78 22895830.34 16684569.62 11996759.79 16305916.56 15543032.53 19451624.03 17769003.92 18182967.8 16011933.67 24139884.63 20783191.26 16906568.31 22897852 L-Proline 883352088.2 833608132.8 932250881.5 845297594.8 1104369138 1056263189 1330961663 1069212129 1268190202 850985639.3 743606751.6 1049376863 1209459143 1193901399 1236814897 1283747150 1137734060 1041779130 1088289741 1332361234 1249204327 993211113.3 1028735426 1372564186 1762216737 1390875377 1649224270 1519909052 1282418261 1078193565 1467925134 1759675425 818516833.1 677570932.1 869428728.3 1030646776 1138417495 975785049.1 1047232943 1360621969 1517152844 1138653464 1343902259 1366382078 1311610973 1252627793 1142621235 855230374 845665446.5 888685271.3 1064823381 1060391969 1371233858 957591812.7 1107829125 1090312489 1467778081 1166228377 1252910396 1619784924 1171618580 939447795.8 910643632.4 1090831646 1161916213 783497032.6 999343895.8 985394956.9 1227953285 1041262891 1041555665 1012983814 1593328011 1465224126 1126319733 1248695460 Alanine+Sarcosine 37087520.12 47449807.87 43480336.79 35544706.2 40700670.92 52463473.65 43607446.13 39040857.9 36325064.86 38101396.8 25045994.56 28636231.46 37100787.42 40383723.51 41495675.99 31932109.09 34284574.29 35853714.69 33946400.86 36006560.23 36011835.32 37225352.77 37496241.63 45832547.45 48323282.09 39036778.28 50415518.78 41093095.4 44125095.2 43239927.58 42706248.94 48126672.89 32387119.35 26114471.98 32973526.14 35107421.73 26030790.96 29046416.34 29791821.07 35722461.09 47058529.8 30270336.57 37541568.85 43432325.85 40539099.51 30415220.45 29801878.71 25814477.56 28823440.07 42050237.61 35716661.36 34634553.24 31318247.25 28064795.97 32989384 24500940.69 47169082.01 36926467.78 34877296.69 51475097.78 39869077.61 38054220.17 40001610.95 40518498.43 37818027.93 28466344.28 39201794.98 33103024.26 38787247.27 40460069.79 40683431.3 30894309.02 36316445.54 32424642.14 28665567.49 28912014.3 L-Phenylalanine 6701681967 7832489644 8248898049 6876886954 3445980826 5151531526 5663296908 4577553447 6047621529 5443226551 4408272682 5726784218 5297686992 5820775693 6261861982 5268636360 4553896958 4318940546 4717444498 4487411531 5976854741 5182781650 5522647762 5658649108 4337995636 3481003870 5088498910 5612464939 5370718632 5548954072 5171075292 6055352956 4063482136 3514946527 3877295698 4860178580 4591910882 5185743854 5035647232 5069568165 5728351363 4724400491 5690306555 5604087249 5952676492 5130817722 5032216949 5172934273 4878608576 6257900492 5722772670 5641389857 5438764929 4844242197 5533695914 5232299666 4884960592 4431759586 4904684843 5965333365 5657149067 5167495023 5293115996 4997772504 4907868986 4489866777 5811681487 4961261006 4796387689 5322693613 5243064756 5740740101 5354407800 5202254533 4777662861 4851852058 L-Tyrosine 2173679836 2479360843 2334553733 2018855360 1188673897 1619633909 1751276955 1318473067 2212332153 2152575670 1622944939 2210404723 2115844855 2515756420 2125047217 1999249711 1866720731 2269667549 1722307005 1783536550 1949797969 2003316185 1649226801 2174839505 2294180708 2007306196 2157334660 2651192563 1800027365 2021289777 1919291669 2125133026 1577953300 1406298702 1302021420 1580958644 1778437359 2241259630 2107534222 2044109208 2192595064 1891791415 1791130191 1721868374 2140162739 2111657425 1682610736 1501039305 1492819788 1965329733 1752977054 1835897251 2330288032 2076561287 2094559876 1939513466 2061145611 1970477987 2066567064 2171725009 2284475623 2264486687 1808290894 2092389580 1687870205 1686379609 1732019423 1767530181 1626465764 1804469424 1739146609 1732491546 1883718673 2115107710 1666493302 1882776383 Hypoxanthine 62642746.58 343185729.4 62212704.07 127319118.3 141420990.3 323292032.2 58134940.39 107866397.2 147994170.2 270744867.3 102008604.3 70474346.16 99519416.15 174380171 91488670.48 76463340.02 32346616.1 177051178.3 76447465.83 72941062.55 111360268.2 169190797.1 79568846.62 109603869.7 114840988.4 129607757.8 74635638.66 157467695.6 74271859.09 184587171.5 29939965.6 57842065.83 111816095.3 177779431.7 57145267.69 121575347.2 84091465.28 151641335.2 56110473.68 94024386.55 52497576.16 98287922.54 58034097.02 42850068.25 14739848 104057785.4 20530261.22 61783048.83 84914553.43 184713875.1 70117285.67 44805001.67 96561801.93 165481255.3 112725841.8 114688859.1 100280321.1 175063525.7 113603929.8 77294413.59 49511152.97 109270599.1 47061819.86 36368360.72 118393415.7 152534283.9 91220599.08 90927613.32 82644548.49 193063578.1 61541091.04 54928873.97 37335753.33 159083589.2 82810112.73 70068137.95 L-Glutamic acid 65898559.49 97708291.61 70551045.36 58611829.59 38694962.69 51536240.46 35970502.29 42508966.62 60307094.85 64052364.43 44682605.38 49913497.7 56928656.83 48421065.18 38300628.95 33513866.58 50975575.53 54757636.27 36082389.8 39233707.81 40906217.66 55975345.34 40007956.96 40865249.42 42008363.66 52186977.26 50797155.22 57774448.3 37650392.34 54442737.16 40132439.45 39687031.53 37014111.2 52503286.32 38650384.4 46849700.64 29484146.08 47832329.11 36265214.39 58496271.26 49694258.51 76401126.47 60214157.11 39209835.85 43306386.4 50705061.08 46295501.7 38930195.61 46496650.91 42787350.47 44369259.21 35055299.62 52006266.99 52279696.41 80454756.36 40453646.74 56956423.78 63802419.71 87493645.45 51217923.73 40535360.72 52900204.82 56598513.57 35629069.26 41975629.03 38133430.93 45509807.41 34816803.31 39252397.51 45256279.27 44707708.19 29024801.86 30646247.76 38256434.64 45855666.89 30356138.06 Pipecolic acid 108476909.2 104265339.2 98763664.7 127485778.4 270374863.6 236136742.2 262876042.4 234025038.3 362329981.4 322727584.6 305157198.1 282777717.6 162337524.9 156759899.9 189151711.5 159307486.1 169117994.4 184686281 176914702.7 163636520.7 144167232.4 148637998 151593004.5 125398168.6 563696231.8 540212228.1 515287212.2 627239027.6 241415579.6 281422094.6 238088587.1 279258188.5 219724245.7 166769505.1 184990492.2 186362353.7 150654822.9 140768607.6 152379987.2 133053969.4 89812607.89 82408893.93 86799328.25 96023614.77 104219990.5 89100356.18 105041647.7 130664968.9 120482123.7 105817087.9 109483677.1 125741754.6 130566309.3 118192436.9 107767712.4 112186033.5 112030985.2 128772319.5 110022511.3 111421679.3 83917865.29 98936070.26 98181899.64 93814388.91 71395190.88 61134086.13 82190777.77 59889864.78 135976768 130043788.5 147147601.8 114454964.2 165465553 152723615.8 148127724.8 169517718.4 Bilirubin 629098651.6 642721642.3 302708260.6 355236959.2 460431112 381906138.7 243604670.2 313967115.9 204476783.2 168111792.3 151709012.2 172927261.6 131216191.9 118221240.2 39308717.43 104968518.4 71712615.83 103839733.7 19999804.63 51903576.99 132550002.1 128928017.2 54093041.39 112985900.5 84220039.34 103927145.2 37918339.22 79016231.72 155815172 197374041.3 53399380.99 106178435.8 229154032.4 250264491.8 151558315.1 292412354 159138999.9 172115288.3 88432609.81 114834880 104401259.8 173007635.1 86437313.16 94240482.46 126071122.9 100735289.7 67335222.39 158691970.4 364249647.4 307030439.4 186965711.7 203617419.3 80722968.82 73473972.04 45890967.53 89874735.28 72148954.47 84444817.27 50529115.76 48659340.38 112590167.2 144034750.9 55813444.18 54823872.59 107160482.6 180018558.5 81351239.41 100596841.6 175242731.1 148196547.9 135087693.8 112699699.3 362942005 270840709 211074143.9 174305013.9 N-Acetylisoleucine 27753.96072 87172.12868 87704.25149 70593.00314 56843.40349 43875.37951 204474.5319 63988.55704 117057.6464 88823.55516 29858.66097 938.0222072 60756.26085 39527.09591 532305.0854 72112.53698 18814.4495 61820.93067 67683.9928 35375.12211 59484.68067 4630.972031 138224.1707 27765.76958 21333.8996 1899.571941 85101.46392 59936.86024 40038.86608 6458.454297 30934.22382 86777.97592 187256.8374 22776.24576 90159.42205 82203.98452 54253.04602 56465.1535 878065.5567 73797.12407 82761.01774 87998.08732 30407.87876 50087.36072 3714.103186 7558.488879 40782.33518 33185.7901 92026.24111 64700.11055 36241.11891 74906.33023 89756.72236 20295.62395 23672.18153 35308.78217 590921.8522 61666.45306 41007.79796 365867.9125 95556.47054 19365.88237 23870.29881 66874.96692 19671.25558 335963.3485 81844.04727 117566.0021 10198.52945 81112.649 14881.71364 106460.7032 962.3236541 33973.1379 87842.91173 971.0533037 4-Pyridoxic acid 1755229.503 3691254.596 935019.991 1495021.28 2123767.93 1890538.907 1605365.304 1027042.64 1538007.142 2639970.937 1505780.723 1467088.631 1074075.053 1521836.197 1207370.812 1132196.092 651064.2013 1178942.372 1016172.659 837114.7641 1193560.12 1628850.492 1783254.447 1379332.456 545623.2974 733686.9284 994156.1186 1636859.074 1322039.72 1749730.371 1254990.898 1212936.356 1019687.007 1085172.841 1106203.988 876857.9873 981028.209 1335357.12 857508.0497 859835.2076 959850.8311 1363188.908 847465.7091 1233020.771 1155077.097 1434317.517 1063899.17 1023486.584 1447467.421 1718085.716 1240713.461 1781804.692 1083552.851 1463666.4 897839.417 884829.6083 2007754.557 3315830.028 2673792.747 1576672.886 1423503.277 1545251.994 1132525.325 1126156.764 1150973.554 1092498.482 1122136.306 1164066.391 774537.0098 482129.0844 1101024.858 1101631.221 776709.6697 1565722.045 1241042.839 1268765.675 1-Methylhistidine 26558509.04 23311765.81 23449922.99 14511353.77 36058714.59 40980501.67 31946315.38 8075207.14 3852119.578 4341731.104 3534585.045 9782600.029 15096709.67 30891604.33 19234283.07 11992335.2 16026047.26 13399591.02 13767336.77 7056051.809 28573166.47 30824846.99 23057704.93 13505796.15 10380349.75 16811077.05 14526059.08 4256218.73 11445196.41 12381999.61 10800272.26 48600785.81 10172030.12 8743496.017 8923156.682 5358949.032 6839732.433 9094451.744 6440481.345 19466295.19 23572938.84 20315915.95 18545498.18 22053877.48 32087804.82 21816959.59 24505573.49 12132039.77 6879947.98 8005131.061 8198144.973 11796260.61 13850179.59 9801395.725 11527600.48 3739283.618 19841784.08 13904203.45 14337185.46 12579252.15 9414953.425 11010771.97 7413576.744 11840960.22 8806712.851 10792897.17 10165367.16 22125966.54 9250780.583 10210247.2 7607825.937 58299556.97 8462437.975 7053581.531 7128741.209 11138769.88 Indole-3-methyl acetate 269255.2701 647311.0964 391064.984 297212.9011 539715.3062 459024.1755 316061.1769 191276.1992 102497.4159 453846.5157 266718.6349 180657.0756 120618.6452 321723.8321 338262.2461 196447.3669 162030.132 314223.7854 327431.5939 249921.2606 296286.185 371175.5955 473397.3647 260808.9384 202123.7902 275186.8571 190094.7805 133279.1769 334950.2435 596007.0076 382886.5955 418031.9652 146068.4385 91609.22678 230240.7659 175831.5605 211780.9279 356079.364 364467.1912 203902.9351 355952.8196 331760.7406 292882.9746 343582.7492 337562.0917 478328.0012 401453.4993 341343.3106 249868.6697 537874.5954 414012.1239 217204.2458 282546.8565 295774.3564 240153.5736 161255.0601 420944.1122 624196.4011 387885.5593 381867.2852 192396.671 289532.4373 202717.5619 230404.2612 305394.7558 530622.3641 453336.7247 432803.7842 171860.8141 287766.5452 264596.9465 354068.4434 167920.5186 366506.5883 225742.6807 292987.1644 Octenoylcarnitine(AcCa(8:1) isomer 53899561.3 86522686.55 102216945.5 54209800.17 18457343.16 32217555.14 24467691.91 24299939.76 32253612.89 57226614.78 52486970.86 47170723.88 27273318.05 36465143.93 33046392.63 43377362.33 22439916.27 31972514.47 45843392.79 21150268.82 32057300.31 35483555.22 31148363.87 25015937.73 9247094.578 12761575.8 12188667.7 19855358.56 36169161.41 51755737.16 34293507.32 29350242.04 34016965.56 50626150.37 33002909.2 23564770.24 23667056.67 42778648.88 36173176.01 20662938.7 18977304.72 29626984.37 22772486.66 18565526.58 45157328.17 79168801.67 62182421.79 84135387.96 59361961.97 84644682.09 66084277.6 76966827.2 56357867.99 89610070.2 71263065.14 69302949.14 41033576.26 85147796.65 58340467.85 46728869.51 32692095.76 41140178.47 40240109.24 26528132.56 18281575.99 34814464.84 21994455.31 28303365.8 50313613.42 69886918.92 66995569.65 46084859.43 34822516.12 58990938.57 46492439.86 59379630.88 Decenoylcarnitine(AcCa(10:1) 1 868635.9572 2134205.689 997646.3836 1263432.296 2090469.441 2322817.066 1079185.191 944928.7932 589161.5376 112922.8027 1261574.49 1503628.135 598279.1266 2167147.844 1048393.825 347210.9976 635399.8844 689652.4393 909285.5048 446012.1117 2969572.024 3661559.063 1636734.135 1792761.971 695244.9153 271633.3429 10049.3435 904780.0127 1138988.979 2532549.707 1024078.069 1273975.336 950594.1594 501805.8809 746246.9445 1467547.474 821365.0741 1958291.999 711305.0614 1084156.516 1192650.973 2238025.026 722098.0964 882976.3283 1384646.993 2413394.261 1412118.156 1178298.479 1245687.594 2586049.018 1376295.252 1118602.98 550872.6276 1833026.452 656139.8383 659227.6372 1916388.659 3504759.515 1898293.32 1645975.474 1396758.39 2778639.779 1561416.337 1488077.164 1101436.16 2085614.909 1386026.625 821555.2227 1049922.407 1624577.313 1168520.084 1177313.391 1269199.441 946575.6897 795470.0298 1221860.938 Decenoylcarnitine(AcCa(10:1) 2 52081677.22 101488966.9 77640727.79 32344515.02 30442371.28 50755761.32 36219901.2 21742264.96 22616979.85 55323885.72 31217283.03 34395330.58 21662122.23 37623185.92 21223044.9 25518056.1 19621829.2 28053450.17 36640122.57 14765968.02 35136173.16 39606192.61 27977382.58 21678704.76 9978947.594 12713718.7 11428712.79 13850020.65 32864406.22 46006943.07 28302724.56 24600532.98 33842376.95 51502883.71 31087565.7 24749741.76 24928748.49 51616037.3 30692520.16 14539790.47 26515810.99 47409601.38 28584562.38 17735766.06 53226675.95 100995383.4 52225422.9 94655543.47 32979399.34 78830545.66 46587568.06 40843814.37 31777834.28 64832947.05 38232525.8 38384592.99 37557434.33 68839417.34 47578390.44 29756531.02 26892613.26 45433860.59 32978621.88 19980192.44 29651570.3 46156590.96 25900210.19 34233768.96 46767144.48 75635842.31 52493457.86 41256656.1 34651183.89 49294891.79 42548223.07 49949954.19 Decenoylcarnitine(AcCa(10:1) 3 26657753.72 76154809.73 60664615.35 11041375.06 4520213.884 18276572.32 11208072.6 15105035.55 7192689.732 16967914.53 17325581.21 34391426.75 19939998.35 24391308.03 8899181.161 25511057.99 23871608.94 12987135.86 20655480.14 17098765.81 26858967.74 27135709.18 16912985.76 15687719.01 12680519.92 18852093.19 13106671.39 17260917.99 45493368.39 53713968.37 31312164.44 19244314.79 23460386.52 32036596.47 6656971.768 24310451.41 24118982.61 33139013.13 37661914.22 9679824.296 9717534.36 33407251.73 11435701.73 20917.0206 13898793.85 49032603.74 26038698.42 44865614.91 38509868.6 50009670.13 34726744.33 37939025.44 13646919.67 26702780.33 14637133.11 26517975.8 26622533.23 41883730.07 36689338.38 30663118.77 18550627.49 15775089.41 23652103.71 15158566.98 17532574.68 12771142.47 6138088.888 16181092.02 35264585.27 35719240.79 37781084.87 39438111.48 20709009.07 35334433 22664651.51 22367692.58 Glycerylphosphorylethanolamine 3406926.232 4369927.557 4074585.794 2993523.962 2347448.117 3350713.371 3347642.021 3524355.884 3650316.13 1765553.755 2179981.297 3649511.013 5573734.488 4215609.453 1624077.123 2283803.694 3548646.455 2739836.363 2875048.963 1553554.891 1798840.002 2325015.869 1115113.82 1534392.174 1952565.672 2167506.978 2895109.188 2235787.762 2096339.194 2944972.767 1853419.353 3164420.068 2487922.401 2486649 3180111.57 4229224.836 1777446.186 2365015.512 1839421.831 5394388.703 2900778.516 2756080.129 4494742.011 2044028.889 2756762.978 1718804.363 3739568.632 2409190.898 3389227.595 3919465.56 3556660.635 2387390.341 2384080.993 1977182.876 2857322.331 2340356.18 3351633.785 2311390.859 3209485.486 1924626.435 3245590.066 3317946.536 2549565.873 3739713.21 2042649.066 1191748.584 2340768.907 2336766.208 2974328.854 3140995.505 2821710.698 2666881.89 2166538.557 2389645.162 2821365.194 2781464.916 Biliverdin isomer1 5126903.326 5155140.219 3348290.045 3210805.716 4265421.238 3664749.1 2616159.758 3722350.635 1988858.387 1820037.224 1679582.952 1865212.779 1444270.54 1266532.839 538759.4066 1201412.795 1011883.114 1047920.699 311736.5336 800980.2896 1447676.087 1531522.917 800388.0981 1499038.329 1134543.05 1198852.303 667947.2422 903837.9245 1657118.375 1744570.829 953248.2649 1228110.609 2294885.711 2719890.748 1768401.141 3049283.413 1842054.169 1555791.315 1191486.468 1095464.09 1209642.713 1952476.99 1254745.832 1082074.825 1394017.634 1571801.077 744701.2366 1858080.775 3426372.472 2967491.907 2615502.971 2015419.061 1051982.503 979892.5188 757590.113 1482364.787 894746.557 970604.3313 608608.9297 774258.2227 1212641.607 1732828.558 829154.576 773631.6571 1550020.631 2164344.603 1047422.909 1481213.287 1812410.312 1846786.614 1685385.53 1409090.425 3188787.715 3252623.025 2467605.485 1831042.878 Biliverdin isomer2 6158967.873 7336289.864 4382376.891 7422137.983 8875728.901 3895152.882 2974102.447 3829908.981 2666705.042 1958863.691 1872180.172 2481284.808 1601627.032 1508727.318 581642.8528 1207660.385 2120639.562 1508822.834 338409.6348 849205.1064 2169624.993 2302307.821 859027.9447 1649908.774 1296510.228 1332502.345 690232.9459 977039.9238 1930398.049 2308538.41 721822.4687 951086.1857 5638549.546 3039261.625 1893915.332 2963872.745 1896966.313 2446240.397 1319572.373 1210326.176 1431061.735 2245191.89 1378747.806 1371447.913 1533694.18 1857565.61 961764.3315 2034616.088 4334775.876 3933631.494 3022689.588 2744581.403 1085301.965 1387053.528 752362.8167 1417976.11 1158136.375 1306454.239 843941.4995 913497.3611 1771435.48 1764337.129 862207.979 766299.6027 4307747.555 2769099.585 1568870.117 3663846.763 3014338.55 2182576.345 2834537.765 2157695.431 4153169.122 3228728.817 2650821.618 1785360.705 Biliverdin isomer3 5424475.91 2003214.339 4353178.858 4183966.821 4666308.686 2945585.436 2103930.051 4131349.544 1903394.88 2684554.081 1446803.538 884746.7062 747199.6561 1296766.641 1198244.688 1274637.142 189589.8215 1252811.015 59830.0735 1556562.997 2632095.271 2600693.811 960812.8879 1244234.59 1344583.902 1308303.923 470299.3423 1108081.707 2007063.502 3225168.596 1028503.753 1299938.155 4728094.875 4861515.454 2309110.857 904960.6453 2698037.952 2736360.852 2982794.28 1788607.963 3354569.763 2306630.209 395579.3759 1784776.98 1397665.481 2009871.994 926727.2224 1427594.648 4110796.204 2964190.736 1103125.812 4967730.089 1035930.284 1668268.462 962583.2777 1696041.679 1165281.437 1600850.13 818739.1904 1739859.466 1907413.145 1408080.297 1194507.074 873909.085 2422704.08 161529.8692 1583854.759 169007.1389 3356237.586 3212122.341 728450.4678 3014212.487 3956872.749 3850349.26 1857849.146 2545836.099 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RT m/z 2-Piperidinone 1.97 100.07569 Hippuric acid-D5 3.48 185.0969 Choline 0.65 104.10699 Cytosine 0.66 112.05054 2-Chlorophenylalanine 3.05 200.04728 1-Pyrroline-5-carboxylic acid 0.7 114.05496 3-Amino-2-piperidone 0.55 115.08659 Betaine 0.73 118.08626 Lysine-d4 0.57 151.13791 Urea 0.65 121.072 Niacinamide 0.99 123.05529 N-Hexosyl Leucine 1.35 294.15473 Pyroglutamine 0.67 129.06585 Dihydrothymine 1.33 129.06585 Tryptophan 2-C-mannoside 2.3 367.14998 Glp-Gly 0.9 187.07133 N-Acetylputrescine 0.7 131.11789 Creatine 0.69 132.07675 L-Isoleucine 1.21 132.10191 L-Leucine 1.33 132.10191 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid(CMPF) 6.35 241.10705 Propylparaben 6.75 139.03897 N-gamma-Glu-Gln 0.67 276.11901 1-Methylnicotinamide 0.67 137.07094 Trigonelline 0.7 138.05496 Urocanic acid 0.98 139.0502 2-Aminonicotinic acid 1.11 139.0502 Methylimidazoleacetic acid 0.7 141.06585 Tryptamine 3.56 144.08078 Proline betaine 0.7 144.10191 N-Acetylcadaverine 0.99 145.13354 Indole-3-carboxaldehyde 4.87 146.06004 4-Acetamidobutanoic acid 1.31 146.08117 Phe-Ile 3.96 279.17032 4-Trimethylammoniobutanoic acid 0.72 146.11756 2-Amino-5-methylhexanoic acid 2.6 146.11756 2-Aminoheptanoic acid 2.73 146.11756 Spermidine 0.53 146.16517 N-acetyltryptophan 4.59 247.10772 Tetradecadiencarnitine(AcCa(14:2) 1 7.96 368.27954 1-Methylinosine 2.3 151.06144 Dopamine quinone 1.96 152.07061 Phe-Phe 4.45 313.15467 Phenylacetylglutamine 3.5 265.11828 Homostachydrine 0.95 158.11756 Serotonin 2.34 160.07569 N,N,N-trimethyl-5-aminovaleric acid 0.99 160.13321 2-Aminooctanoic acid 3.7 160.13321 N(6)-Methyllysine 0.64 161.12845 L-Carnitine 0.69 162.11247 S-Methylmethionine 1.57 164.07398 Methionine sulfoxide 0.85 166.05324 7-Methylguanine 1.04 166.07234 N2-Methylguanine 1.19 166.07234 Quinolinic acid 0.97 168.02913 N-Acetylglutamine 0.79 189.08698 N1-Methyl-2-pyridone-5-carboxamide 1.48 153.06585 Metronidazole 2.76 172.07167 Gabapentin 3.14 172.13321 2-Oxoarginine 0.7 174.08732 N-Acetylleucine 3.95 174.11247 N-Acetylasparagine 0.64 175.07133 N-Acetylornithine 0.7 175.10772 Indole-3-propionic acid 5.7 190.08626 Indoleacetic acid 5 176.07061 Cotinine 1.28 177.10224 Theobromine 2.69 181.072 Theophylline 3.02 181.072 Methylcysteine 0.7 136.04268 Palmitoylethanolamide 10.14 300.28971 N-(3-acetamidopropyl)pyrrolidin-2-one 2.78 185.12845 N-Acetylglutamic acid 1.08 190.071 N1-Acetylspermidine+N8-Acetylspermidine 0.64 188.17574 L-Tryptophan 3.14 205.09715 Antipyrine 4.17 189.10224 N6-Acetyl-L-lysine 0.72 189.12337 Ile-Gly 1.6 189.12337 Leu-Gly 1.8 189.12337 Gly-Leu 2.71 189.12337 Homo-L-Arg 0.64 189.1346 N6,N6,N6-Trimethyl-L-lysine 0.64 189.15975 Citrulline 0.65 176.10297 5-Hydroxyindoleacetic acid 3.49 192.06552 Hydroxycotinine 0.97 193.09715 Phenylacetylglycine 3.76 194.08117 Caffeine 3.58 195.08765 Tetraethylene glycol(PEG-4) 2.49 195.1227 ADMA+SDMA 0.67 203.15025 Spermine 0.55 203.22302 4-Aminoantipyrine 3.09 204.11314 L-Acetylcarnitine(AcCa(2:0) 1.14 204.12303 Gly-Glu 0.67 205.0819 Isobutyrylglycine 2.02 146.08117 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine 0.64 205.15467 Kynurenic acid 3.25 190.04987 Pantothenol 2.4 206.13868 N-Acetyl-L-phenylalanine 4.29 208.09682 L-Kynurenine 2.23 209.09207 3-Methoxytyrosine 1.85 212.09173 N-a-Acetyl-L-arginine 0.99 217.12952 Propionylcarnitine(AcCa(3:0) 2.22 218.13868 gamma-Glu-Ala 0.72 219.09755 Ser-Leu 2.55 219.13393 Phe-Gly 2.74 223.10772 Gly-Phe 3.09 223.10772 N-Acetyltyrosine 3.12 224.09173 Porphobilinogen 2.44 227.10263 Pro-Hyp 0.7 229.11828 N,N,N-Trimethyl-alanyl-proline betaine 1.26 229.15467 Ile-Pro 2.99 229.15467 Leu-Pro 3.12 229.15467 Butenylcarnitine(AcCa(4:1) 2.56 230.13868 Ile-Val 2.86 231.17032 Val-Ile + Leu-Val 3.03 231.17032 Val-Leu 3.25 231.17032 4-Formylaminoantipyrine 3.53 232.10805 Isobutyrylcarnitine(AcCa(iso4:0) 3.03 232.15433 Butyrylcarnitine(AcCa(4:0) 3.1 232.15433 Hippuric acid 3.45 180.06552 7,8-Dihydrobiopterin 1.11 240.10912 L-Methionine 0.95 150.05833 Tiglylcarnitine(AcCa(5:1) 3.49 244.15433 Uridine+Pseudouridine 0.85 245.07681 Biotin 3.56 245.09544 Ile-Ile 3.46 245.18597 Ile-Leu + Leu-Ile 3.7 245.18597 Leu-Leu 3.86 245.18597 Isovalerylcarnitine(AcCa(iso5:0) 3.67 246.16998 Indolelactic acid 4.56 206.08117 gamma-Glu-Val 1.92 247.12885 Asp-Ile 2.72 247.12885 Asp-Leu 2.92 247.12885 Tryptophan betaine 3.49 247.1441 gamma-Glu-Thr 0.7 249.10811 N-Hexosyl Alanine 0.65 252.10778 Phe-Ser 2.06 253.11828 Ser-Phe 2.99 253.11828 Palmitic amide 10.58 256.26349 Glycerophosphocholine 0.64 258.1101 Hexenoylcarnitine(AcCa(6:1) 3.98 258.16998 Ile-Gln + Leu-Gln 1.29 260.16048 Hexanoylcarnitine(AcCa(6:0) 4.57 260.18563 Glu-Leu 2.78 261.1445 gamma-Glu-Ile 2.92 261.1445 gamma-Glu-Leu 3.03 261.1445 Succinylcarnitine(AcCa(4:0-DC) 1.28 262.12851 Hydroxyisovaleroyl carnitine(AcCa(5:0-OH) 2.32 262.1649 Adenosine 1.36 268.10403 L-Glutamine 0.64 147.07642 Metoprol 4.56 268.19072 Glutarylcarnitine(AcCa(5:0-DC) 2.55 276.14416 Cyclandelate 9.44 277.17982 N-Hexosyl Proline 0.7 278.12343 gamma-Glu-Met 2.01 279.10092 gamma-Glu-Phe 3.34 295.12885 Ile-Phe 4.09 279.17032 Leu-Phe 4.21 279.17032 N-Hexosyl Valine 0.73 280.13908 Linoleamide 10.03 280.26349 Asp-Phe 3.14 281.1132 1-Methyladenosine 1.03 282.11968 N6-Methyladenosine 2.42 282.11968 Oleamide 10.6 282.27914 Octadecanamide 11.4 284.29479 Clenbuterol-D9 4.64 286.14339 Octenoylcarnitine(AcCa(8:1) 5.23 286.20128 Octanoylcarnitine(AcCa(8:0) 5.91 288.21693 Methylglutarylcarnitine(AcCa(iso6:0-DC) 2.72 290.15981 Adipoylcarnitine(AcCa(6:0-DC) 2.84 290.15981 N-Hexosyl Isoleucine 1.35 294.15473 Creatinine 0.69 114.06619 Phe-Glu 2.62 295.12885 Glu-Phe 3.18 295.12885 5'-Methylthioadenosine 3.05 298.09684 1-Methylguanosine 2.22 298.1146 2-Methylguanosine 2.37 298.1146 L-Arginine 0.64 175.11895 Sphingosine 8.83 300.28971 Nonanoylcarnitine(AcCa(9:0) 6.24 302.23258 Sphinganine 9.11 302.30536 N-Hexosyl Glutamine 0.65 309.12924 N-Hexosyl Lysine 0.58 309.16563 gamma-Glu-Tyr 2.53 311.12376 N2,N2-Dimethylguanosine 2.74 312.13025 alpha-Aminobutyric acid 0.69 104.07061 Uracil 1.09 113.03455 Decenoylcarnitine(AcCa(10:1) 6.56 314.23258 Decanoylcarnitine(AcCa(10:0) 7.05 316.24824 Xanthine 1.06 153.0407 Phytosphingosine 8.55 318.30027 Linoleoylethanolamide 9.7 324.28971 N-Hexosyl Phenylalanine 2.35 328.13908 Stearoylethanolamide 10.94 328.32101 Undecanoylcarnitine(AcCa(11:0) 7.31 330.26389 His-Trp 2.9 342.15607 Dodecenoylcarnitine(AcCa(12:1) 7.5 342.26389 N-Hexosyl Tyrosine 1.18 344.13399 Heptaethylene Glycol(PEG-7) 3.46 344.22789 Dodecanoylcarnitine(AcCa(12:0) 8.08 344.27954 Phe-Trp 4.68 352.16557 AcCa(12:0)-D9 8.06 353.33603 Tridecanoylcarnitine(AcCa(13:0) 8.36 358.29519 Cortisol 5.58 363.2166 N-Hexosyl tryptophan 3.03 367.14998 Uric acid 0.95 169.03562 Tetradecenoylcarnitine(AcCa(14:1) 8.48 370.29519 Tetradecanoylcarnitine(AcCa(14:0) 9.06 372.31084 Sphingosine 1-phosphate 8.19 380.25604 Sphinganine 1-phosphate 8.41 382.27169 25-Hydroxyvitamin D3 10.05 383.33084 Octaethylene glycol(PEG-8) 3.67 388.25411 Hexadecadienoylcarnitine(AcCa(16:2) 8.76 396.31084 Hexadecenoylcarnitine(AcCa(16:1) 9.32 398.32649 Palmitoylcarnitine(AcCa(16:0) 10.04 400.34214 Linolenylcarnitine(AcCa(18:3) 9.2 422.32649 Linoleylcarnitine(AcCa(18:2) 9.58 424.34214 Oleoylcarnitine(AcCa(18:1) 10.19 426.35779 Stearoylcarnitine(AcCa(18:0) 11 428.37344 AcCa(18:0)-D3 11 431.39227 LysoPE(16:0p/0:0) 9.45 438.2979 Icosatrienoylcarnitine(AcCa(20:3) 9.88 450.35779 Icosadienoylcarnitine(AcCa(20:2) 10.45 452.37344 LysoPE(0:0/16:0) 8.98 454.29282 LysoPE(16:0/0:0) 9.15 454.29282 Eicoseneoylcarnitine(AcCa(20:1) 11.07 454.38909 Arachidylcarnitine(AcCa(20:0) 11.96 456.40474 LysoPE(18:1p/0:0) 9.53 464.31355 LysoPE(18:0p/0:0) 10.35 466.3292 LysoPC(15:0p/0:0) 9.6 466.3292 LysoPC(0:0/14:0) 8.44 468.30847 LysoPC(14:0/0:0) 8.59 468.30847 Decaethylene Glycol(PEG-10) 4 476.30654 LysoPE(0:0/18:2) 8.61 478.29282 LysoPE(18:2/0:0) 8.76 478.29282 LysoPC(16:1p) 9.56 478.3292 LysoPE(0:0/18:1) 9.13 480.30847 LysoPE(18:1/0:0) 9.3 480.30847 LysoPC(16:0p/0:0) 10.1 480.34485 LysoPE(18:0/0:0) 10.1 482.32412 LysoPC(15:0/0:0) 8.95 482.32412 LysoPC(16:0e/0:0) 10.3 482.3605 LysoPC(0:0/16:1) 8.69 494.32412 LysoPC(16:1/0:0) 8.9 494.32412 LysoPC(0:0/16:0) 9.4 496.33977 LysoPC(16:0/0:0) 9.8 496.33977 LysoPE(0:0/20:4) 8.61 502.29282 LysoPE(20:4/0:0) 8.75 502.29282 LysoPE(0:0/20:3) 8.92 504.30847 LysoPE(20:3/0:0) 9.06 504.30847 LysoPC(18:1p/0:0) 10.3 506.3605 LysoPC(17:1/0:0) 9.4 508.33977 LysoPC(18:0p/0:0) 10.5 508.37615 LysoPC(17:0/0:0) 10.4 510.35542 LysoPC(0:0/18:3) 8.52 518.32412 LysoPC(18:3/0:0) 8.7 518.32412 LysoPC(0:0/18:2) 9.03 520.33977 LysoPC(18:2/0:0) 9.2 520.33977 LysoPC(0:0/18:1) 9.53 522.35542 LysoPC(18:1/0:0) 9.99 522.35542 LysoPC(18:0/0:0) 11.05 524.37107 LysoPE(0:0/22:6) 8.61 526.29282 LysoPE(22:6/0:0) 8.71 526.29282 LysoPE(0:0/22:5n3) 8.82 528.30847 LysoPE(0:0/22:5n6)+LysoPE(22:5n3/0:0) 8.96 528.30847 LysoPE(22:5n6/0:0) 9.13 528.30847 LysoPC(0:0/19:0) 10.35 538.38672 LysoPC(19:0/0:0) 10.49 538.38672 LysoPC(0:0/20:5) 8.5 542.32412 LysoPC(20:5/0:0) 8.7 542.32412 LysoPC(0:0/20:4) 8.98 544.33977 LysoPC(20:4/0:0) 9.15 544.33977 LysoPC(0:0/20:3) 9.3 546.35542 LysoPC(20:3/0:0) 9.58 546.35542 LysoPC(20:2/0:0) 10.2 548.37107 LysoPC(20:1/0:0) 11 550.38672 LysoPC(22:6/0:0) 9.1 568.33977 Dodecaethylene glycol(PEG-12) 4.28 569.31223 LysoPC(22:5n3/0:0)+LysoPC(0:0/22:5n6) 9.35 570.35542 LysoPC(0:0/22:4) 9.6 572.37107 LysoPC(22:4/0:0) 9.8 572.37107 Pyroglutamic acid 1.01 130.04987 Biliverdin 7.45 583.25511 Taurine 0.65 126.02194 Thyroxine 6.42 777.69396 Hematoporphyrin 7.42 599.28641 Tetradecaethylene glycol(PEG-14) 4.5 652.4114 Trimethylamine N-oxide 0.67 76.07569 Human Fibrinopeptide A 4.03 768.84988 Human Fibrinopeptide B 4.49 776.83678 Ornithine 0.55 133.09715 Pantothenic acid 2.37 220.11795 L-Cystine 0.67 241.03112 L-Aspartic acid 0.65 134.04478 L-Serine 0.64 106.04987 Taurine-D4 0.65 130.04705 L-Lysine 0.55 147.1128 L-Histidine 0.8 156.07675 L-Asparagine 0.65 133.06077 L-Threonine 0.65 120.06552 L-Proline 0.69 116.07061 Alanine+Sarcosine 0.64 90.05496 L-Phenylalanine 2.25 166.08626 L-Tyrosine 1.19 182.08117 Hypoxanthine 0.99 137.04579 L-Glutamic acid 0.65 148.06043 Pipecolic acid 0.94 130.08626 Bilirubin 6.89 585.27076 N-Acetylisoleucine 3.77 174.11247 4-Pyridoxic acid 1.57 184.06043 1-Methylhistidine 0.64 170.0924 Indole-3-methyl acetate 6.49 190.08626 Octenoylcarnitine(AcCa(8:1) isomer 5.35 286.20128 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 Glycerylphosphorylethanolamine 0.64 216.06315 Biliverdin isomer1 6.89 583.25511 Biliverdin isomer2 7.22 583.25511 Biliverdin isomer3 7.94 583.25511 METABOLITES_END #END